smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cccc1/N=C\c1c(O)ccc2ccccc12 ZINC000000061223 567929464 /nfs/dbraw/zinc/92/94/64/567929464.db2.gz UQPWYKVHTMCVFB-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN FC(F)(F)c1cccc(/N=C\c2ccc(Cl)cc2)c1 ZINC000000143338 567819922 /nfs/dbraw/zinc/81/99/22/567819922.db2.gz SKCFJRGBEPRISN-OCKHKDLRSA-N 0 0 283.680 5.109 40 30 CKEBRN Clc1ccccc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000000275354 567823691 /nfs/dbraw/zinc/82/36/91/567823691.db2.gz UPZQTXBLGGAKTA-KGENOOAVSA-N 0 0 291.781 5.758 40 30 CKEBRN Clc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000000275357 567823535 /nfs/dbraw/zinc/82/35/35/567823535.db2.gz CUPQSKFYFXHNSN-KGENOOAVSA-N 0 0 291.781 5.758 40 30 CKEBRN C(=N/c1ccc2ccccc2c1)\c1c[nH]c2ccccc12 ZINC000000287779 567929366 /nfs/dbraw/zinc/92/93/66/567929366.db2.gz NWSYHRUZTJAYED-UDWIEESQSA-N 0 0 270.335 5.072 40 30 CKEBRN O=C1c2c(ccc3ccccc23)S/C1=C\c1ccccc1 ZINC000000292541 567929636 /nfs/dbraw/zinc/92/96/36/567929636.db2.gz TXNSEUBNMGRJLZ-ATVHPVEESA-N 0 0 288.371 5.169 40 30 CKEBRN C(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccccc1 ZINC000000517103 169660581 /nfs/dbraw/zinc/66/05/81/169660581.db2.gz BPFKQENQKSWMSP-KGENOOAVSA-N 0 0 298.345 5.245 40 30 CKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)ccc1O ZINC000000568671 566947454 /nfs/dbraw/zinc/94/74/54/566947454.db2.gz FTYHQKVJHKIWQN-ZGXHQARYSA-N 0 0 287.790 5.310 40 30 CKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)ccc1O ZINC000000568673 566947310 /nfs/dbraw/zinc/94/73/10/566947310.db2.gz FTYHQKVJHKIWQN-MKFNJMOCSA-N 0 0 287.790 5.310 40 30 CKEBRN Cc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1C ZINC000000571411 567936464 /nfs/dbraw/zinc/93/64/64/567936464.db2.gz JBBBXSNNEJNTDO-GIJQJNRQSA-N 0 0 278.182 5.361 40 30 CKEBRN CCc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000000571450 567936587 /nfs/dbraw/zinc/93/65/87/567936587.db2.gz SEGHNQPFLMMTRH-VCHYOVAHSA-N 0 0 278.182 5.306 40 30 CKEBRN CCc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000000575299 566947448 /nfs/dbraw/zinc/94/74/48/566947448.db2.gz LXGYSUQNTHJYBO-VCHYOVAHSA-N 0 0 278.182 5.306 40 30 CKEBRN Cc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000000575375 169671413 /nfs/dbraw/zinc/67/14/13/169671413.db2.gz OKTCMRASVBGOOL-RQZCQDPDSA-N 0 0 264.155 5.052 40 30 CKEBRN CCOc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000000575475 567936528 /nfs/dbraw/zinc/93/65/28/567936528.db2.gz JCUKSFDAMWKROZ-VCHYOVAHSA-N 0 0 294.181 5.143 40 30 CKEBRN C(=N\c1ccc(/N=C\c2cccs2)cc1)\c1cccs1 ZINC000000585086 567834050 /nfs/dbraw/zinc/83/40/50/567834050.db2.gz CVNPKIOJKWDPBA-WHYMJUELSA-N 0 0 296.420 5.311 40 30 CKEBRN C#CC1(O[C@@H](C)n2cccc2-c2ccccc2)CCCCC1 ZINC000001083942 526662380 /nfs/dbraw/zinc/66/23/80/526662380.db2.gz ULEMQPSDMBOQNC-KRWDZBQOSA-N 0 0 293.410 5.026 40 30 CKEBRN C#CC1(O[C@H](C)n2cccc2-c2ccccc2)CCCCC1 ZINC000001083943 526663290 /nfs/dbraw/zinc/66/32/90/526663290.db2.gz ULEMQPSDMBOQNC-QGZVFWFLSA-N 0 0 293.410 5.026 40 30 CKEBRN Cc1ccc(Cl)c(/N=C\c2c(O)ccc3ccccc23)c1 ZINC000001100238 567836036 /nfs/dbraw/zinc/83/60/36/567836036.db2.gz AYQYWGWPBAJTQE-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN CC(C)c1ccccc1/N=C\c1ccc2ccccc2c1O ZINC000001100242 567836026 /nfs/dbraw/zinc/83/60/26/567836026.db2.gz CGGWQFXLKJNIDX-BKUYFWCQSA-N 0 0 289.378 5.419 40 30 CKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1C1CCCCC1 ZINC000001101685 567937227 /nfs/dbraw/zinc/93/72/27/567937227.db2.gz JIFFHSHQILHZBU-XSFVSMFZSA-N 0 0 280.415 5.361 40 30 CKEBRN Cc1ccc(/N=C/c2cccc3ccccc23)c(C)c1 ZINC000001233755 567937110 /nfs/dbraw/zinc/93/71/10/567937110.db2.gz GKMNOLULUAELKP-DEDYPNTBSA-N 0 0 259.352 5.207 40 30 CKEBRN N#C[C@H](C=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001557491 169713566 /nfs/dbraw/zinc/71/35/66/169713566.db2.gz DRHVBAPIQCHGCM-NRFANRHFSA-N 0 0 295.385 5.426 40 30 CKEBRN CCCCCCCCCCCC[N+]1([O-])CCCC1 ZINC000001565872 528125336 /nfs/dbraw/zinc/12/53/36/528125336.db2.gz YHRGMQPTNZSTSB-UHFFFAOYSA-N 0 0 255.446 5.016 40 30 CKEBRN CCCCCCCCCC[N+]1([O-])CCCCCC1 ZINC000001565885 528126586 /nfs/dbraw/zinc/12/65/86/528126586.db2.gz BXVGYCNGQXKKLB-UHFFFAOYSA-N 0 0 255.446 5.016 40 30 CKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000001570609 567838358 /nfs/dbraw/zinc/83/83/58/567838358.db2.gz YGBYJPWPAIVCHU-VQHVLOKHSA-N 0 0 283.198 5.156 40 30 CKEBRN O=C(/C=C/N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001571592 567838310 /nfs/dbraw/zinc/83/83/10/567838310.db2.gz REVZDQYGWSDUJK-WUKNDPDISA-N 0 0 299.373 5.221 40 30 CKEBRN CCCCC[C@@H](CSCC)C(=O)/C=C/c1ccccc1 ZINC000001573413 520291922 /nfs/dbraw/zinc/29/19/22/520291922.db2.gz WUSCEWCYPXVUFP-CLVCIHKQSA-N 0 0 290.472 5.219 40 30 CKEBRN CCCCC[C@H](CSCC)C(=O)/C=C/c1ccccc1 ZINC000001573415 567838403 /nfs/dbraw/zinc/83/84/03/567838403.db2.gz WUSCEWCYPXVUFP-TUQDCPSNSA-N 0 0 290.472 5.219 40 30 CKEBRN CCCCCCC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000001575871 519948663 /nfs/dbraw/zinc/94/86/63/519948663.db2.gz DTMDOKFRPVCRGV-BQYQJAHWSA-N 0 0 285.214 5.546 40 30 CKEBRN CCCCCCC(=O)/C=C/c1ccc(Br)cc1 ZINC000001576122 519948682 /nfs/dbraw/zinc/94/86/82/519948682.db2.gz KCKQQVVNQHVMKW-FMIVXFBMSA-N 0 0 295.220 5.002 40 30 CKEBRN CCCCCCCCCCOC(=O)c1ccc(Cl)cc1 ZINC000001586586 520021225 /nfs/dbraw/zinc/02/12/25/520021225.db2.gz ASTUITNORCWJGQ-UHFFFAOYSA-N 0 0 296.838 5.638 40 30 CKEBRN CC(C)(C)[C@@H](CC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000001589751 567838731 /nfs/dbraw/zinc/83/87/31/567838731.db2.gz FZRMCJWOUKRDIU-JWHUVLAVSA-N 0 0 292.422 5.489 40 30 CKEBRN CC(C)(C)[C@H](CC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000001589753 567838768 /nfs/dbraw/zinc/83/87/68/567838768.db2.gz FZRMCJWOUKRDIU-DAMWEWLOSA-N 0 0 292.422 5.489 40 30 CKEBRN C=CCCCCCCCC[C@H]1O[C@@H](C)CC(C)(C)O1 ZINC000001589803 527114333 /nfs/dbraw/zinc/11/43/33/527114333.db2.gz BRXNTZKPKAJNFN-HOTGVXAUSA-N 0 0 268.441 5.223 40 30 CKEBRN C=CCCCCCCCC[C@H]1O[C@H](C)CC(C)(C)O1 ZINC000001589804 527113123 /nfs/dbraw/zinc/11/31/23/527113123.db2.gz BRXNTZKPKAJNFN-CVEARBPZSA-N 0 0 268.441 5.223 40 30 CKEBRN CCCCCCCCCCC1O[C@H](C)C[C@H](C)O1 ZINC000001590096 326795002 /nfs/dbraw/zinc/79/50/02/326795002.db2.gz TXANYHCPKPNEDA-XYPWUTKMSA-N 0 0 256.430 5.057 40 30 CKEBRN CCCCCCCCCCC1O[C@@H](C)C[C@H](C)O1 ZINC000001590097 567838788 /nfs/dbraw/zinc/83/87/88/567838788.db2.gz TXANYHCPKPNEDA-GJZGRUSLSA-N 0 0 256.430 5.057 40 30 CKEBRN CCCCCCCCc1cc(Cl)c([O-])c(C[NH+](C)C)c1 ZINC000001592039 567839004 /nfs/dbraw/zinc/83/90/04/567839004.db2.gz KIOFRKLFSYNVHA-UHFFFAOYSA-N 0 0 297.870 5.010 40 30 CKEBRN C/C=C/SC(=Nc1ccccc1)Nc1ccccc1 ZINC000001593742 567839134 /nfs/dbraw/zinc/83/91/34/567839134.db2.gz YDKYFODTSPCZQY-XNJYKOPJSA-N 0 0 268.385 5.053 40 30 CKEBRN CCCCCCCCCc1ccc(O)c(Cl)c1 ZINC000001595034 567838861 /nfs/dbraw/zinc/83/88/61/567838861.db2.gz HJBUWTLHZIRBIM-UHFFFAOYSA-N 0 0 254.801 5.339 40 30 CKEBRN CCCCCCCCCc1ccc(OC(=O)C(C)C)cc1 ZINC000001595708 169721996 /nfs/dbraw/zinc/72/19/96/169721996.db2.gz QDPKLPOPIBLUBU-UHFFFAOYSA-N 0 0 290.447 5.541 40 30 CKEBRN CCCCCCCCCCCOC(=O)c1ccccc1 ZINC000001595748 567838914 /nfs/dbraw/zinc/83/89/14/567838914.db2.gz YEHGKFOTJWYCBN-UHFFFAOYSA-N 0 0 276.420 5.374 40 30 CKEBRN CCCCCCCCOC(=O)Nc1cccc2ccccc21 ZINC000001595988 567838910 /nfs/dbraw/zinc/83/89/10/567838910.db2.gz MYLFQGDSJVRJKC-UHFFFAOYSA-N 0 0 299.414 5.749 40 30 CKEBRN CCCCCCCCCCCC(=O)c1ccc(Cl)cc1 ZINC000001600476 570348488 /nfs/dbraw/zinc/34/84/88/570348488.db2.gz SQXFLYBOPPSMSG-UHFFFAOYSA-N 0 0 294.866 6.444 40 30 CKEBRN C=CCOCc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000001600793 169723452 /nfs/dbraw/zinc/72/34/52/169723452.db2.gz BLUMLTIOAWXFOG-UHFFFAOYSA-N 0 0 260.421 5.103 40 30 CKEBRN CCCCCCCCCc1ccc(COCC)cc1 ZINC000001600794 567839221 /nfs/dbraw/zinc/83/92/21/567839221.db2.gz JRELYCQNFAFUHE-UHFFFAOYSA-N 0 0 262.437 5.516 40 30 CKEBRN C=C(C)COCc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000001600796 169723323 /nfs/dbraw/zinc/72/33/23/169723323.db2.gz BMCPFMNXOKXROW-UHFFFAOYSA-N 0 0 274.448 5.493 40 30 CKEBRN Clc1ccc(N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001602532 566993438 /nfs/dbraw/zinc/99/34/38/566993438.db2.gz GGECLVLMUAJEGK-UHFFFAOYSA-N 0 0 289.765 5.490 40 30 CKEBRN CC(C)(C)C1=CC(Cl)(C(C)(C)C)C=C(C(C)(C)C)C1=O ZINC000001608626 567839270 /nfs/dbraw/zinc/83/92/70/567839270.db2.gz NEQLTAGYGHWRSY-UHFFFAOYSA-N 0 0 296.882 5.538 40 30 CKEBRN C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C/CO ZINC000001610919 566902411 /nfs/dbraw/zinc/90/24/11/566902411.db2.gz YHXQJKUUMBTWSB-VHAPFUMJSA-N 0 0 290.491 5.814 40 30 CKEBRN C=CCCCCCCCC[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 ZINC000001615207 566902948 /nfs/dbraw/zinc/90/29/48/566902948.db2.gz YPYNEVLQTMVQRM-MSOLQXFVSA-N 0 0 296.495 5.717 40 30 CKEBRN C=CCCCCCCCC[C@H]1OCC(C)(C)[C@@H](C(C)C)O1 ZINC000001615210 566901548 /nfs/dbraw/zinc/90/15/48/566901548.db2.gz YPYNEVLQTMVQRM-ZWKOTPCHSA-N 0 0 296.495 5.717 40 30 CKEBRN CCCCCCCCCCCC(=O)c1c(O)cccc1O ZINC000001622614 570348831 /nfs/dbraw/zinc/34/88/31/570348831.db2.gz WPFIJMIBEGNIHW-UHFFFAOYSA-N 0 0 292.419 5.201 40 30 CKEBRN CC(C)(C)C(=O)/C=C/c1ccc(Oc2ccccc2)cc1 ZINC000001628701 567839697 /nfs/dbraw/zinc/83/96/97/567839697.db2.gz OMBNYCIRAPPYPB-SDNWHVSQSA-N 0 0 280.367 5.107 40 30 CKEBRN CC(C)(C)C(=O)/C=C/c1cccc(Oc2ccccc2)c1 ZINC000001628703 567839703 /nfs/dbraw/zinc/83/97/03/567839703.db2.gz OBLPOFIMGCYGIC-OUKQBFOZSA-N 0 0 280.367 5.107 40 30 CKEBRN N#CC(CCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001631150 566996272 /nfs/dbraw/zinc/99/62/72/566996272.db2.gz KDKFWZRKCQMAIZ-UHFFFAOYSA-N 0 0 297.401 5.129 40 30 CKEBRN O=C1/C(=C\c2ccccc2)CCCC/C1=C/c1ccccc1 ZINC000001631884 567839795 /nfs/dbraw/zinc/83/97/95/567839795.db2.gz CDWCNIVDIALVDN-IKBKFCNISA-N 0 0 288.390 5.297 40 30 CKEBRN CCCCCCCCCCCCn1cnc2ccccc21 ZINC000001634047 567055697 /nfs/dbraw/zinc/05/56/97/567055697.db2.gz MVCMYAMUMDUWAZ-UHFFFAOYSA-N 0 0 286.463 5.957 40 30 CKEBRN O=C(/C=C/C=C/c1ccccc1)c1ccc2ccccc2c1 ZINC000001651049 567839964 /nfs/dbraw/zinc/83/99/64/567839964.db2.gz KPPOVOMNCMSREF-GODDPXKCSA-N 0 0 284.358 5.292 40 30 CKEBRN C=C(C)[C@H]1CCC(C)=C1CC[C@@H](C)OC(=O)c1ccccc1 ZINC000001670281 566902785 /nfs/dbraw/zinc/90/27/85/566902785.db2.gz CYQNMSYFCZTRNA-SJLPKXTDSA-N 0 0 298.426 5.315 40 30 CKEBRN C=C(C)[C@@H]1CCC(C)=C1CC[C@@H](C)OC(=O)c1ccccc1 ZINC000001670282 526758013 /nfs/dbraw/zinc/75/80/13/526758013.db2.gz CYQNMSYFCZTRNA-AEFFLSMTSA-N 0 0 298.426 5.315 40 30 CKEBRN C=C(C)[C@H]1CCC(C)=C1CC[C@H](C)OC(=O)c1ccccc1 ZINC000001670283 526822452 /nfs/dbraw/zinc/82/24/52/526822452.db2.gz CYQNMSYFCZTRNA-FUHWJXTLSA-N 0 0 298.426 5.315 40 30 CKEBRN C=C(C)[C@@H]1CCC(C)=C1CC[C@H](C)OC(=O)c1ccccc1 ZINC000001670284 566901656 /nfs/dbraw/zinc/90/16/56/566901656.db2.gz CYQNMSYFCZTRNA-WMZOPIPTSA-N 0 0 298.426 5.315 40 30 CKEBRN CCCCCCCCCCCCc1ccc(C(C)=O)cc1 ZINC000001671553 326795070 /nfs/dbraw/zinc/79/50/70/326795070.db2.gz BHNXFIZZDLESSJ-UHFFFAOYSA-N 0 0 288.475 6.353 40 30 CKEBRN C=CCSC(SCC=C)c1ccc(Cl)cc1 ZINC000001672026 567945865 /nfs/dbraw/zinc/94/58/65/567945865.db2.gz UJPBBGZAGMEANC-UHFFFAOYSA-N 0 0 270.850 5.177 40 30 CKEBRN CCCCCCCCC[C@H]1OCC(C)(C)[C@@H](C(C)C)O1 ZINC000001674920 528127815 /nfs/dbraw/zinc/12/78/15/528127815.db2.gz FCAVVOPVRVMADY-DLBZAZTESA-N 0 0 284.484 5.551 40 30 CKEBRN CCCCCCCCC[C@H]1OCC(C)(C)[C@H](C(C)C)O1 ZINC000001674922 528127865 /nfs/dbraw/zinc/12/78/65/528127865.db2.gz FCAVVOPVRVMADY-IRXDYDNUSA-N 0 0 284.484 5.551 40 30 CKEBRN CCCCCCCCC[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 ZINC000001674923 528127205 /nfs/dbraw/zinc/12/72/05/528127205.db2.gz FCAVVOPVRVMADY-SJORKVTESA-N 0 0 284.484 5.551 40 30 CKEBRN CCCCCCCCCCCC(=O)OC(C)(C)C ZINC000001675380 567840979 /nfs/dbraw/zinc/84/09/79/567840979.db2.gz WJXKWIFHRZWPET-UHFFFAOYSA-N 0 0 256.430 5.249 40 30 CKEBRN CCCCCCCCC[C@H]1OC[C@@H](c2ccccc2)O1 ZINC000001677458 567841019 /nfs/dbraw/zinc/84/10/19/567841019.db2.gz JEBLFZKNRZFOMZ-ROUUACIJSA-N 0 0 276.420 5.241 40 30 CKEBRN CCCCCCCCC[C@@H]1OC[C@@H](c2ccccc2)O1 ZINC000001677459 567841140 /nfs/dbraw/zinc/84/11/40/567841140.db2.gz JEBLFZKNRZFOMZ-ZWKOTPCHSA-N 0 0 276.420 5.241 40 30 CKEBRN CCCCCCCCC[C@H]1OC[C@H](c2ccccc2)O1 ZINC000001677460 567840940 /nfs/dbraw/zinc/84/09/40/567840940.db2.gz JEBLFZKNRZFOMZ-MSOLQXFVSA-N 0 0 276.420 5.241 40 30 CKEBRN CCCCCCCCC[C@@H]1OC[C@H](c2ccccc2)O1 ZINC000001677461 567840890 /nfs/dbraw/zinc/84/08/90/567840890.db2.gz JEBLFZKNRZFOMZ-QZTJIDSGSA-N 0 0 276.420 5.241 40 30 CKEBRN CCCCCCCCCCCC(=O)Oc1ccc(O)cc1 ZINC000001679486 528123690 /nfs/dbraw/zinc/12/36/90/528123690.db2.gz QNRAYAXRAQNLMV-UHFFFAOYSA-N 0 0 292.419 5.219 40 30 CKEBRN CCCCCCCCCCC[C@H]1OCC[C@@H](C)O1 ZINC000001679865 528125416 /nfs/dbraw/zinc/12/54/16/528125416.db2.gz MXKDOMWUEBTZDD-CVEARBPZSA-N 0 0 256.430 5.059 40 30 CKEBRN CCCCCCCCCCC[C@H]1OCC[C@H](C)O1 ZINC000001679867 528125097 /nfs/dbraw/zinc/12/50/97/528125097.db2.gz MXKDOMWUEBTZDD-HOTGVXAUSA-N 0 0 256.430 5.059 40 30 CKEBRN CCCCCCCCCCCC1OCC(C)(C)CO1 ZINC000001679873 528124098 /nfs/dbraw/zinc/12/40/98/528124098.db2.gz VWQNQWGNFQGZHD-UHFFFAOYSA-N 0 0 270.457 5.306 40 30 CKEBRN CCCCCCCCCc1nc2ccccc2s1 ZINC000001682589 528128100 /nfs/dbraw/zinc/12/81/00/528128100.db2.gz AICWWPXXVFXLOC-UHFFFAOYSA-N 0 0 261.434 5.589 40 30 CKEBRN CCCCCCCCCCCc1nc2ccccc2s1 ZINC000001682590 528124892 /nfs/dbraw/zinc/12/48/92/528124892.db2.gz LFFYBSKHBKTDIP-UHFFFAOYSA-N 0 0 289.488 6.370 40 30 CKEBRN CCCCCCCCC[C@H]1O[C@@H](C)CC(C)(C)O1 ZINC000001683602 567841437 /nfs/dbraw/zinc/84/14/37/567841437.db2.gz QYDJHALLCQLSOO-GJZGRUSLSA-N 0 0 256.430 5.057 40 30 CKEBRN CCCCCCCCC[C@H]1O[C@H](C)CC(C)(C)O1 ZINC000001683604 567841328 /nfs/dbraw/zinc/84/13/28/567841328.db2.gz QYDJHALLCQLSOO-CABCVRRESA-N 0 0 256.430 5.057 40 30 CKEBRN CCC[C@@](C#N)(c1ccccc1)[C@@H](C)c1ccccc1 ZINC000001685692 567841297 /nfs/dbraw/zinc/84/12/97/567841297.db2.gz REAODULDQASWNS-LPHOPBHVSA-N 0 0 263.384 5.052 40 30 CKEBRN CCC[C@](C#N)(c1ccccc1)[C@@H](C)c1ccccc1 ZINC000001685693 567841456 /nfs/dbraw/zinc/84/14/56/567841456.db2.gz REAODULDQASWNS-QFBILLFUSA-N 0 0 263.384 5.052 40 30 CKEBRN CCC[C@@](C#N)(c1ccccc1)[C@H](C)c1ccccc1 ZINC000001685694 567841482 /nfs/dbraw/zinc/84/14/82/567841482.db2.gz REAODULDQASWNS-APWZRJJASA-N 0 0 263.384 5.052 40 30 CKEBRN CCC[C@](C#N)(c1ccccc1)[C@H](C)c1ccccc1 ZINC000001685695 567841502 /nfs/dbraw/zinc/84/15/02/567841502.db2.gz REAODULDQASWNS-VQIMIIECSA-N 0 0 263.384 5.052 40 30 CKEBRN N#CC1(Nc2ccc(-c3ccc(Cl)cc3)cc2)CCCC1 ZINC000001686522 567841260 /nfs/dbraw/zinc/84/12/60/567841260.db2.gz ZVBBIQZVFLRLPF-UHFFFAOYSA-N 0 0 296.801 5.255 40 30 CKEBRN CCCCCCCCCCCC(=O)c1ccc(O)cc1O ZINC000001688124 567841293 /nfs/dbraw/zinc/84/12/93/567841293.db2.gz WFMWRPOIFMFIKO-UHFFFAOYSA-N 0 0 292.419 5.201 40 30 CKEBRN N#C[C@@H](CCc1ccccc1)c1ccc2ccccc2c1 ZINC000001689914 567841641 /nfs/dbraw/zinc/84/16/41/567841641.db2.gz CDPIATPBGZFLQE-HXUWFJFHSA-N 0 0 271.363 5.080 40 30 CKEBRN CCCCCCCCCc1ccc(OC(=O)CC)cc1 ZINC000001693248 169743837 /nfs/dbraw/zinc/74/38/37/169743837.db2.gz CHNLOAFHGNPEQR-UHFFFAOYSA-N 0 0 276.420 5.295 40 30 CKEBRN CCCCCCCCCc1ccc(OC(=O)CCC)cc1 ZINC000001693253 169744244 /nfs/dbraw/zinc/74/42/44/169744244.db2.gz LXBRPQPBYQVGAN-UHFFFAOYSA-N 0 0 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5.115 40 30 CKEBRN CCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C ZINC000002384594 566959105 /nfs/dbraw/zinc/95/91/05/566959105.db2.gz YYBMOGCOPQVSLQ-SAPNQHFASA-N 0 0 280.452 5.583 40 30 CKEBRN CCCCCCCCCCCCC(Cl)(Cl)C=O ZINC000002385758 567110195 /nfs/dbraw/zinc/11/01/95/567110195.db2.gz RNIWSOXRCLEXPV-UHFFFAOYSA-N 0 0 281.267 5.670 40 30 CKEBRN CCCCCCCCC(=O)Oc1ccc2ccccc2c1 ZINC000002508010 528122411 /nfs/dbraw/zinc/12/24/11/528122411.db2.gz MKROVNPMTNPUNZ-UHFFFAOYSA-N 0 0 284.399 5.496 40 30 CKEBRN CCCCCCCCCOc1ccc(C(C)=O)c(F)c1 ZINC000002512284 528127218 /nfs/dbraw/zinc/12/72/18/528127218.db2.gz CUJWMNOBXKQCCF-UHFFFAOYSA-N 0 0 280.383 5.158 40 30 CKEBRN CCCCCCCCCCOc1ccc(C(C)=O)c(F)c1 ZINC000002512485 528126196 /nfs/dbraw/zinc/12/61/96/528126196.db2.gz SGTCQYRBFYAPGF-UHFFFAOYSA-N 0 0 294.410 5.548 40 30 CKEBRN CCCCCCCCCCOc1ccc(C#N)cc1 ZINC000002512530 528126100 /nfs/dbraw/zinc/12/61/00/528126100.db2.gz SNZPHYPGLGYDBO-UHFFFAOYSA-N 0 0 259.393 5.078 40 30 CKEBRN CCCCCCCCCCCCC(=O)c1ccccc1 ZINC000002522765 570215216 /nfs/dbraw/zinc/21/52/16/570215216.db2.gz ZZNDQCACFUJAKJ-UHFFFAOYSA-N 0 0 274.448 6.180 40 30 CKEBRN CCCCCCCCCCC#CCCCCC(C)C ZINC000002528276 169803153 /nfs/dbraw/zinc/80/31/53/169803153.db2.gz WQMKDHREUPHQQE-UHFFFAOYSA-N 0 0 264.497 6.737 40 30 CKEBRN CCCCCCCCn1c2ccccc2c2ccccc21 ZINC000002539136 567847810 /nfs/dbraw/zinc/84/78/10/567847810.db2.gz SCDJSEFDVDOKPA-UHFFFAOYSA-N 0 0 279.427 6.155 40 30 CKEBRN CCCCCC1CCC(c2ccc(C#N)cc2)CC1 ZINC000002545389 567147833 /nfs/dbraw/zinc/14/78/33/567147833.db2.gz FURZYCFZFBYJBT-UHFFFAOYSA-N 0 0 255.405 5.412 40 30 CKEBRN CCCCCCCCCCCCc1ccc(C#N)c(C#N)c1 ZINC000002556816 567848020 /nfs/dbraw/zinc/84/80/20/567848020.db2.gz DTEFBFYHAVVRLC-UHFFFAOYSA-N 0 0 296.458 5.893 40 30 CKEBRN C=C(CCC=C(C)C)[C@H]1CC=C(CCC=C(C)C)CC1 ZINC000002559023 567930571 /nfs/dbraw/zinc/93/05/71/567930571.db2.gz GJYJYFHBOBUTBY-FQEVSTJZSA-N 0 0 272.476 6.762 40 30 endogenous,in-man CKEBRN CCCCCCCC(=O)Oc1cccc2ccccc21 ZINC000002568067 326797957 /nfs/dbraw/zinc/79/79/57/326797957.db2.gz SUAOWWVNMRJABO-UHFFFAOYSA-N 0 0 270.372 5.106 40 30 CKEBRN CCCCCCCC(=O)Oc1c[nH]c2cc(Cl)ccc12 ZINC000002569713 567848459 /nfs/dbraw/zinc/84/84/59/567848459.db2.gz KBOGGXOQZZEFSL-UHFFFAOYSA-N 0 0 293.794 5.087 40 30 CKEBRN CCCCCCCOc1ccc(-c2ccccc2)cc1 ZINC000002569861 326797816 /nfs/dbraw/zinc/79/78/16/326797816.db2.gz FFCPQKNZRRQMIN-UHFFFAOYSA-N 0 0 268.400 5.703 40 30 CKEBRN CCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000002569892 169811063 /nfs/dbraw/zinc/81/10/63/169811063.db2.gz IOBZCOSZOOUKNS-UHFFFAOYSA-N 0 0 283.374 5.455 40 30 CKEBRN CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000002569893 567948056 /nfs/dbraw/zinc/94/80/56/567948056.db2.gz PWZKBBQJWUEPOK-UHFFFAOYSA-N 0 0 297.401 5.845 40 30 CKEBRN C=Cc1ccc(CCCCCCCCCCCC)cc1 ZINC000002571952 567848300 /nfs/dbraw/zinc/84/83/00/567848300.db2.gz WJNKJKGZKFOLOJ-UHFFFAOYSA-N 0 0 272.476 6.793 40 30 CKEBRN CCCCCCCc1c2[nH]c3ccccc3c2cc(O)c1C ZINC000002572823 566958908 /nfs/dbraw/zinc/95/89/08/566958908.db2.gz ADLBIVFEKWBVKQ-UHFFFAOYSA-N 0 0 295.426 5.848 40 30 in-vitro CKEBRN CCCCCCCCCCCCCC(C)(C)S ZINC000002584427 169814302 /nfs/dbraw/zinc/81/43/02/169814302.db2.gz ZJCZFAAXZODMQT-UHFFFAOYSA-N 0 0 258.515 6.396 40 30 CKEBRN Clc1ccc(/C=N/c2ccc(N3CCCCC3)cc2)cc1 ZINC000003033382 567157471 /nfs/dbraw/zinc/15/74/71/567157471.db2.gz CVDMCZRPHHGLPO-XSFVSMFZSA-N 0 0 298.817 5.081 40 30 CKEBRN CCCCCCCCCCSCCc1ccncc1 ZINC000003065155 520023684 /nfs/dbraw/zinc/02/36/84/520023684.db2.gz HNYYLFXSFLEIDA-UHFFFAOYSA-N 0 0 279.493 5.498 40 30 CKEBRN COc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1 ZINC000003074217 169853118 /nfs/dbraw/zinc/85/31/18/169853118.db2.gz PECZEYXAIOTAOA-UHFFFAOYSA-N 0 0 299.373 5.128 40 30 CKEBRN C=CCCCCCCCCC(=O)Nc1ccc(F)cc1 ZINC000003124496 518700140 /nfs/dbraw/zinc/70/01/40/518700140.db2.gz NEKGWVWGBBVQKC-UHFFFAOYSA-N 0 0 277.383 5.071 40 30 CKEBRN C=CCCCCCCCCC(=O)Nc1ccc(Cl)cc1 ZINC000003127768 518700947 /nfs/dbraw/zinc/70/09/47/518700947.db2.gz 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/nfs/dbraw/zinc/07/90/36/170079036.db2.gz CGNKNPUOEKFUNR-UHFFFAOYSA-N 0 0 280.452 5.254 40 30 CKEBRN O=C(/C=C/c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000005280501 170082332 /nfs/dbraw/zinc/08/23/32/170082332.db2.gz WXEOEECZHYYPAS-JLHYYAGUSA-N 0 0 292.765 5.389 40 30 CKEBRN CC(C)(C)C[C@H](S)c1ccc(C(C)(C)C)cc1 ZINC000005283968 170082915 /nfs/dbraw/zinc/08/29/15/170082915.db2.gz YZMHKFIPNZUZQO-AWEZNQCLSA-N 0 0 250.451 5.391 40 30 CKEBRN CC(C)(C)C[C@@H](S)c1ccc(C(C)(C)C)cc1 ZINC000005283971 170082691 /nfs/dbraw/zinc/08/26/91/170082691.db2.gz YZMHKFIPNZUZQO-CQSZACIVSA-N 0 0 250.451 5.391 40 30 CKEBRN Cc1ccccc1NC(=Nc1ccccc1)c1ccccc1 ZINC000005337848 170087436 /nfs/dbraw/zinc/08/74/36/170087436.db2.gz BVOADPAARCZKOI-UHFFFAOYSA-N 0 0 286.378 5.185 40 30 CKEBRN O/N=C1\CCCCCCCCCC[C@H]1Nc1ccccc1 ZINC000005338435 170087388 /nfs/dbraw/zinc/08/73/88/170087388.db2.gz IXBWCBRKVRWDNS-QTIQAUKSSA-N 0 0 288.435 5.212 40 30 CKEBRN O/N=C1\CCCCCCCCCC[C@@H]1Nc1ccccc1 ZINC000005338439 170087340 /nfs/dbraw/zinc/08/73/40/170087340.db2.gz IXBWCBRKVRWDNS-DMEQXSTQSA-N 0 0 288.435 5.212 40 30 CKEBRN CC(C)/C(=N\N=C(/c1ccccc1)C(C)C)c1ccccc1 ZINC000005338885 170087512 /nfs/dbraw/zinc/08/75/12/170087512.db2.gz SAZJQRZEFJJZJF-OLAQIDGISA-N 0 0 292.426 5.192 40 30 CKEBRN Cc1ccc(C(=Nc2ccccc2)c2ccc(C)cc2)cc1 ZINC000005380434 170092166 /nfs/dbraw/zinc/09/21/66/170092166.db2.gz HVIQSSVGQVDWLD-UHFFFAOYSA-N 0 0 285.390 5.473 40 30 CKEBRN CCC(C)N=Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005414418 170096514 /nfs/dbraw/zinc/09/65/14/170096514.db2.gz RMXWOYZHYQWYPX-XDHOZWIPSA-N 0 0 295.411 5.161 40 30 CKEBRN Cc1ccc(NN=Cc2cccc3ccccc23)cc1Cl ZINC000005417264 170096870 /nfs/dbraw/zinc/09/68/70/170096870.db2.gz MRIIPKNACRGSEI-UDWIEESQSA-N 0 0 294.785 5.248 40 30 CKEBRN CCCCC/C(=N\O)c1ccc(C2CCCCC2)cc1 ZINC000005417760 519916773 /nfs/dbraw/zinc/91/67/73/519916773.db2.gz QFDYBJHXCLBMJX-VHEBQXMUSA-N 0 0 273.420 5.493 40 30 CKEBRN CCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000005421777 519921347 /nfs/dbraw/zinc/92/13/47/519921347.db2.gz CNNTXSNTKQVTPV-TXWVUNSISA-N 0 0 293.414 5.143 40 30 CKEBRN CC/C(=N\c1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000005446685 170099705 /nfs/dbraw/zinc/09/97/05/170099705.db2.gz HZOCPRBLPZUEAP-CAPFRKAQSA-N 0 0 294.423 5.029 40 30 CKEBRN CCCCCCOc1ccc(/C(CCCC)=N/O)cc1 ZINC000005462878 567859559 /nfs/dbraw/zinc/85/95/59/567859559.db2.gz YDQGTVPSCBGYBO-ISLYRVAYSA-N 0 0 277.408 5.014 40 30 CKEBRN CC1=C/C(=N/N=C2/C=C(C)CC(C)(C)C2)CC(C)(C)C1 ZINC000005497466 170104674 /nfs/dbraw/zinc/10/46/74/170104674.db2.gz XJEYYLXANADAGE-IKBKFCNISA-N 0 0 272.436 5.316 40 30 CKEBRN C=C[C@@](C)(O)CC[C@H]1CCC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000005499666 170104720 /nfs/dbraw/zinc/10/47/20/170104720.db2.gz VVUVZVUAPNPEDQ-RWQQGDIJSA-N 0 0 278.480 5.336 40 30 CKEBRN C=C[C@@](C)(O)CC[C@H]1CCC[C@H]2C(C)(C)CCC[C@@]12C ZINC000005499670 527553176 /nfs/dbraw/zinc/55/31/76/527553176.db2.gz VVUVZVUAPNPEDQ-JFRXWTBNSA-N 0 0 278.480 5.336 40 30 CKEBRN C=C[C@@](C)(O)CC[C@H]1CCC[C@@H]2C(C)(C)CCC[C@]12C ZINC000005499673 527553329 /nfs/dbraw/zinc/55/33/29/527553329.db2.gz VVUVZVUAPNPEDQ-PSBWJHGTSA-N 0 0 278.480 5.336 40 30 CKEBRN C=C[C@@](C)(O)CC[C@H]1CCC[C@H]2C(C)(C)CCC[C@]12C ZINC000005499677 566888949 /nfs/dbraw/zinc/88/89/49/566888949.db2.gz VVUVZVUAPNPEDQ-UKBAYJJMSA-N 0 0 278.480 5.336 40 30 CKEBRN Cc1ccc(C)c(/N=C/c2cccc3ccccc23)c1 ZINC000005541940 170110678 /nfs/dbraw/zinc/11/06/78/170110678.db2.gz DFWSGAKENMASFR-DEDYPNTBSA-N 0 0 259.352 5.207 40 30 CKEBRN Cc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000005548975 170112100 /nfs/dbraw/zinc/11/21/00/170112100.db2.gz QSLQRCSNICLJHB-RCCKNPSSSA-N 0 0 287.362 5.538 40 30 CKEBRN Cc1ccc(C(C)C)cc1NC(=S)Nc1ccccc1 ZINC000005553466 170112449 /nfs/dbraw/zinc/11/24/49/170112449.db2.gz SRRDJGDQUMWGLW-UHFFFAOYSA-N 0 0 284.428 5.148 40 30 CKEBRN ClN=C(Nc1ccccc1Cl)c1ccccc1Cl ZINC000005583187 170116234 /nfs/dbraw/zinc/11/62/34/170116234.db2.gz MTABFBIPYVXXTN-UHFFFAOYSA-N 0 0 299.588 5.006 40 30 CKEBRN ClN=C(Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000005584384 170116360 /nfs/dbraw/zinc/11/63/60/170116360.db2.gz ACAJHKZZVISBEJ-UHFFFAOYSA-N 0 0 299.588 5.006 40 30 CKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1 ZINC000005664123 170125509 /nfs/dbraw/zinc/12/55/09/170125509.db2.gz GRABOUDUOZGJLO-ZHHABMHLSA-N 0 0 284.790 5.231 40 30 CKEBRN Clc1oc(-c2ccccc2)cc1C=NNc1ccccc1 ZINC000005667367 170125644 /nfs/dbraw/zinc/12/56/44/170125644.db2.gz GXSAWYDGYVJUOX-XDHOZWIPSA-N 0 0 296.757 5.046 40 30 CKEBRN O=C(/C=C/c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000005667581 170125427 /nfs/dbraw/zinc/12/54/27/170125427.db2.gz VOOWOOCIUCLPRB-OUKQBFOZSA-N 0 0 290.387 5.311 40 30 CKEBRN O=C(/C=C/c1ccccc1Cl)c1cccc2ccccc21 ZINC000005669592 170125955 /nfs/dbraw/zinc/12/59/55/170125955.db2.gz VCEPBNDYZZBYQS-OUKQBFOZSA-N 0 0 292.765 5.389 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@@]1(CC)c1ccccc1 ZINC000005674049 170126937 /nfs/dbraw/zinc/12/69/37/170126937.db2.gz YJWKAKPZLZMTLQ-LYHOESIGSA-N 0 0 279.408 5.325 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@]1(CC)c1ccccc1 ZINC000005674194 170126751 /nfs/dbraw/zinc/12/67/51/170126751.db2.gz YJWKAKPZLZMTLQ-VZCCSQPZSA-N 0 0 279.408 5.325 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@@]1(C)c1ccc(F)cc1 ZINC000005677158 170127116 /nfs/dbraw/zinc/12/71/16/170127116.db2.gz XCPDRDOQRFNUOT-KAKMCVKYSA-N 0 0 283.371 5.074 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@]1(C)c1ccc(F)cc1 ZINC000005677737 170127713 /nfs/dbraw/zinc/12/77/13/170127713.db2.gz XCPDRDOQRFNUOT-DOMQTXCISA-N 0 0 283.371 5.074 40 30 CKEBRN O=C(/C(=C\c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005700242 170130324 /nfs/dbraw/zinc/13/03/24/170130324.db2.gz IOGCSUPDVDJIOL-SILNSSARSA-N 0 0 284.358 5.110 40 30 CKEBRN Cc1ccc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005722786 170133334 /nfs/dbraw/zinc/13/33/34/170133334.db2.gz RHDMGURICNGYKG-LTGZKZEYSA-N 0 0 298.385 5.419 40 30 CKEBRN CC(C)CN=Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000005726876 170134124 /nfs/dbraw/zinc/13/41/24/170134124.db2.gz XNQOXMYWYSAAFV-VCHYOVAHSA-N 0 0 295.411 5.017 40 30 CKEBRN Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1 ZINC000005745328 170136137 /nfs/dbraw/zinc/13/61/37/170136137.db2.gz NCYHBXHINBUZDJ-MDZDMXLPSA-N 0 0 291.177 5.198 40 30 CKEBRN Cc1ccc(/N=C/c2cccc3ccccc23)cc1Cl ZINC000005753892 170137055 /nfs/dbraw/zinc/13/70/55/170137055.db2.gz RAKHRQFDXHBBCT-UDWIEESQSA-N 0 0 279.770 5.552 40 30 CKEBRN C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CO ZINC000005760517 570354658 /nfs/dbraw/zinc/35/46/58/570354658.db2.gz YHXQJKUUMBTWSB-SOXCBWEDSA-N 0 0 290.491 5.814 40 30 CKEBRN N#Cc1ccc(CSc2ccc3ccccc3c2)cc1 ZINC000005776128 170139642 /nfs/dbraw/zinc/13/96/42/170139642.db2.gz ITFSKNWTPGAUMQ-UHFFFAOYSA-N 0 0 275.376 5.004 40 30 CKEBRN O=C(/C=C\c1cccc2ccccc12)c1ccccc1Cl ZINC000005777277 170139487 /nfs/dbraw/zinc/13/94/87/170139487.db2.gz WXNBNBAXTJIKSU-SEYXRHQNSA-N 0 0 292.765 5.389 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@]1(C)c1ccc(C)cc1 ZINC000005794831 170141120 /nfs/dbraw/zinc/14/11/20/170141120.db2.gz CLWNVKWTZWPTSH-VZCCSQPZSA-N 0 0 279.408 5.243 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@@]1(C)c1ccc(C)cc1 ZINC000005794873 170141137 /nfs/dbraw/zinc/14/11/37/170141137.db2.gz CLWNVKWTZWPTSH-LYHOESIGSA-N 0 0 279.408 5.243 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@]1(C)c1ccc(C)s1 ZINC000005795655 170141340 /nfs/dbraw/zinc/14/13/40/170141340.db2.gz XLDOFYQVLPCHRI-SCDSTIRESA-N 0 0 285.437 5.305 40 30 CKEBRN C=C1S/C(=N\c2ccccc2)[C@@]1(C)c1ccc(C)s1 ZINC000005795657 170141083 /nfs/dbraw/zinc/14/10/83/170141083.db2.gz XLDOFYQVLPCHRI-CFBLSMTOSA-N 0 0 285.437 5.305 40 30 CKEBRN O=C(/C=C\c1ccccc1Cl)c1cccc2ccccc21 ZINC000005808887 170141921 /nfs/dbraw/zinc/14/19/21/170141921.db2.gz VCEPBNDYZZBYQS-SEYXRHQNSA-N 0 0 292.765 5.389 40 30 CKEBRN Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000005810726 170142050 /nfs/dbraw/zinc/14/20/50/170142050.db2.gz FEQZVLOKLSXWSE-RMKNXTFCSA-N 0 0 291.177 5.198 40 30 CKEBRN C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O ZINC000005844413 170146759 /nfs/dbraw/zinc/14/67/59/170146759.db2.gz REOZWEGFPHTFEI-JKSUJKDBSA-N 0 0 286.415 5.066 40 30 in-vitro CKEBRN N#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000006093641 170175701 /nfs/dbraw/zinc/17/57/01/170175701.db2.gz YXNZJCUXYIKKRE-UHFFFAOYSA-N 0 0 273.407 5.077 40 30 CKEBRN O=C(/C=C/C=C/c1ccccc1)/C=C\C=C/c1ccccc1 ZINC000006095591 170176083 /nfs/dbraw/zinc/17/60/83/170176083.db2.gz RLJALOQFYHCJKG-NTQRQGTMSA-N 0 0 286.374 5.095 40 30 CKEBRN C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C\C=C\C(C)(C)O)C[C@@H]12 ZINC000006157471 170179877 /nfs/dbraw/zinc/17/98/77/170179877.db2.gz VGVBCHZWSHUBLW-JBKANRPWSA-N 0 0 288.475 5.423 40 30 CKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000006159367 170179751 /nfs/dbraw/zinc/17/97/51/170179751.db2.gz FNWPBNPIRCRVPD-AWNIVKPZSA-N 0 0 298.813 5.534 40 30 CKEBRN CCCCCCOc1ccc(C=NNc2ccccc2)cc1 ZINC000006203382 520102587 /nfs/dbraw/zinc/10/25/87/520102587.db2.gz XCLHWYXZSJOBTI-CAPFRKAQSA-N 0 0 296.414 5.092 40 30 CKEBRN Cc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000006206957 170182774 /nfs/dbraw/zinc/18/27/74/170182774.db2.gz LJYBVGSHMDROMN-VMPITWQZSA-N 0 0 291.177 5.198 40 30 CKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccccc1 ZINC000006295873 567077092 /nfs/dbraw/zinc/07/70/92/567077092.db2.gz ABHKJSHAYDMSPP-RCCKNPSSSA-N 0 0 287.362 5.155 40 30 CKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 ZINC000006313492 170190470 /nfs/dbraw/zinc/19/04/70/170190470.db2.gz HUGXRMXFCYFWTE-JLHYYAGUSA-N 0 0 298.813 5.534 40 30 CKEBRN C=CCOc1ccccc1/N=N/c1ccccc1OCC=C ZINC000006317499 170191211 /nfs/dbraw/zinc/19/12/11/170191211.db2.gz YEFMHIBICVNSHM-FMQUCBEESA-N 0 0 294.354 5.232 40 30 CKEBRN Cc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 ZINC000006339378 170194192 /nfs/dbraw/zinc/19/41/92/170194192.db2.gz BZVVNZMNGDYQTR-FOCLMDBBSA-N 0 0 298.385 5.558 40 30 CKEBRN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000006339600 170193926 /nfs/dbraw/zinc/19/39/26/170193926.db2.gz UIOXFRCDTAWYGV-RMKNXTFCSA-N 0 0 295.140 5.029 40 30 CKEBRN Cc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1C ZINC000006340748 170193911 /nfs/dbraw/zinc/19/39/11/170193911.db2.gz FRMWGAGDWHMRJC-XYOKQWHBSA-N 0 0 278.395 5.323 40 30 CKEBRN O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000006340882 170194154 /nfs/dbraw/zinc/19/41/54/170194154.db2.gz NHAAITIQPHTVPR-FPYGCLRLSA-N 0 0 295.140 5.029 40 30 CKEBRN O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000006340910 170194145 /nfs/dbraw/zinc/19/41/45/170194145.db2.gz QRBXHVQSROXPLJ-VMPITWQZSA-N 0 0 295.140 5.029 40 30 CKEBRN O=C(/C=C/c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000006340913 170194045 /nfs/dbraw/zinc/19/40/45/170194045.db2.gz KHZSCAMPDWBIFA-QPJJXVBHSA-N 0 0 295.140 5.029 40 30 CKEBRN Cc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl ZINC000006340923 170193993 /nfs/dbraw/zinc/19/39/93/170193993.db2.gz GWSFKYHBFPURCI-RMKNXTFCSA-N 0 0 291.177 5.198 40 30 CKEBRN Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000006340932 170193961 /nfs/dbraw/zinc/19/39/61/170193961.db2.gz NEJNJRJXUISYDH-FNORWQNLSA-N 0 0 297.206 5.259 40 30 CKEBRN c1ccc(SCc2ccc(N=C3CCCC3)cc2)cc1 ZINC000006344562 570381330 /nfs/dbraw/zinc/38/13/30/570381330.db2.gz OGGCYCLISIRWOV-UHFFFAOYSA-N 0 0 281.424 5.625 40 30 CKEBRN CC(C)c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 ZINC000006377331 170196163 /nfs/dbraw/zinc/19/61/63/170196163.db2.gz SGSVSVUWKFRTGN-FMIVXFBMSA-N 0 0 284.786 5.360 40 30 CKEBRN C(=NNc1ccccc1)c1c2ccccc2cc2ccccc21 ZINC000006575355 170214694 /nfs/dbraw/zinc/21/46/94/170214694.db2.gz SBVPDJUXXXXMPQ-PXLXIMEGSA-N 0 0 296.373 5.439 40 30 CKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000006678277 567938420 /nfs/dbraw/zinc/93/84/20/567938420.db2.gz VGZWTJWGEQZYSS-HMHKGCENSA-N 0 0 281.399 5.273 40 30 CKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000006707417 570381535 /nfs/dbraw/zinc/38/15/35/570381535.db2.gz VGZWTJWGEQZYSS-DZUMZMOTSA-N 0 0 281.399 5.273 40 30 CKEBRN C=CCCCCCCCCC(=O)Nc1ccccc1F ZINC000006761166 518700173 /nfs/dbraw/zinc/70/01/73/518700173.db2.gz VLYRJUUPMKEFJX-UHFFFAOYSA-N 0 0 277.383 5.071 40 30 CKEBRN Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000006840538 170248222 /nfs/dbraw/zinc/24/82/22/170248222.db2.gz FCSXXURFXCTBKH-NTEUORMPSA-N 0 0 278.395 5.189 40 30 CKEBRN Cc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC000006868290 170251378 /nfs/dbraw/zinc/25/13/78/170251378.db2.gz GIJSNCFEMSUPQS-RMKNXTFCSA-N 0 0 291.177 5.198 40 30 CKEBRN CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1 ZINC000006880845 567076104 /nfs/dbraw/zinc/07/61/04/567076104.db2.gz QIUIEQFNBJLELN-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000006880849 567077109 /nfs/dbraw/zinc/07/71/09/567077109.db2.gz JRIFBWSJUBHHCL-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1 ZINC000006880859 567927868 /nfs/dbraw/zinc/92/78/68/567927868.db2.gz GHHNWSCTGKCNHR-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000006888968 170253413 /nfs/dbraw/zinc/25/34/13/170253413.db2.gz BEAYPINMCWLHNW-FPYGCLRLSA-N 0 0 295.140 5.029 40 30 CKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc(C)cc1 ZINC000006941588 567927986 /nfs/dbraw/zinc/92/79/86/567927986.db2.gz HMOWOJFGQRWLEY-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccccc1C ZINC000006941678 567075984 /nfs/dbraw/zinc/07/59/84/567075984.db2.gz RFCWFZUUIVBRMB-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccc(/C=N/c2ccc(C)cc2)cc1Cl ZINC000006941833 567927899 /nfs/dbraw/zinc/92/78/99/567927899.db2.gz PBZSLHHCLXSBGL-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccc(/C=N/c2ccccc2C)cc1Cl ZINC000006941891 567076439 /nfs/dbraw/zinc/07/64/39/567076439.db2.gz SJAOOVXTFNGPSH-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccccc1 ZINC000006942645 567076574 /nfs/dbraw/zinc/07/65/74/567076574.db2.gz JDDQTJONKXIRRI-RCCKNPSSSA-N 0 0 289.378 5.379 40 30 CKEBRN CCCOc1ccccc1/C=N/c1cc(Cl)ccc1C ZINC000006943284 567927832 /nfs/dbraw/zinc/92/78/32/567927832.db2.gz WUTSPKFVJOSPFT-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccccc1/C=N/c1ccc(C)c(Cl)c1 ZINC000006943298 567927904 /nfs/dbraw/zinc/92/79/04/567927904.db2.gz COAGUQRIQWEJAR-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCCOc1ccccc1/C=N/c1cccc(Cl)c1C ZINC000006943351 567927951 /nfs/dbraw/zinc/92/79/51/567927951.db2.gz VUBGDUVCZFZZHP-XDHOZWIPSA-N 0 0 287.790 5.188 40 30 CKEBRN CCOc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl ZINC000006958140 567076757 /nfs/dbraw/zinc/07/67/57/567076757.db2.gz HWYJDMVHWYUDDB-VCHYOVAHSA-N 0 0 294.181 5.143 40 30 CKEBRN CCOc1ccc(Cl)cc1/C=N/c1cccc(C)c1C ZINC000006963887 567078741 /nfs/dbraw/zinc/07/87/41/567078741.db2.gz BZHFRUUBYSDTEC-YBFXNURJSA-N 0 0 287.790 5.106 40 30 CKEBRN CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000006963956 567078599 /nfs/dbraw/zinc/07/85/99/567078599.db2.gz FDBOYYLXXAFCQS-YBFXNURJSA-N 0 0 287.790 5.106 40 30 CKEBRN CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000006963960 567078870 /nfs/dbraw/zinc/07/88/70/567078870.db2.gz LPLPKGYVQSMRME-YBFXNURJSA-N 0 0 287.790 5.106 40 30 CKEBRN CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000006963968 567928136 /nfs/dbraw/zinc/92/81/36/567928136.db2.gz DVIRSVLTFDFGJO-YBFXNURJSA-N 0 0 287.790 5.106 40 30 CKEBRN CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000006963970 567928133 /nfs/dbraw/zinc/92/81/33/567928133.db2.gz ZATJALQUBGHBCT-YBFXNURJSA-N 0 0 287.790 5.106 40 30 CKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1 ZINC000006964646 570218019 /nfs/dbraw/zinc/21/80/19/570218019.db2.gz LQKWMJRDSDLRKT-KGENOOAVSA-N 0 0 289.378 5.298 40 30 CKEBRN CCc1ccc(/N=C/c2c(OC)ccc3ccccc32)cc1 ZINC000008084060 567079582 /nfs/dbraw/zinc/07/95/82/567079582.db2.gz HTMWUCLQDGJONC-KGENOOAVSA-N 0 0 289.378 5.161 40 30 CKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc(CC)cc1 ZINC000008084512 567079435 /nfs/dbraw/zinc/07/94/35/567079435.db2.gz PWWQEBQISWHWHW-DEDYPNTBSA-N 0 0 299.801 5.218 40 30 CKEBRN CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000008084651 567079506 /nfs/dbraw/zinc/07/95/06/567079506.db2.gz XBRJUXWCJACGIO-XDHOZWIPSA-N 0 0 287.790 5.052 40 30 CKEBRN C=CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000008084670 567078807 /nfs/dbraw/zinc/07/88/07/567078807.db2.gz CSJJVNXPAQIPQQ-DEDYPNTBSA-N 0 0 299.801 5.218 40 30 CKEBRN CCc1ccc(/N=C/c2cccc3ccccc23)cc1 ZINC000008085050 567079192 /nfs/dbraw/zinc/07/91/92/567079192.db2.gz WRBIIBBGOBKAAC-XSFVSMFZSA-N 0 0 259.352 5.153 40 30 CKEBRN CCCCCCCCCCCCCC[C@@]1(C(=O)OC)CO1 ZINC000008214426 567861372 /nfs/dbraw/zinc/86/13/72/567861372.db2.gz RSSDZUNGAWCFPT-SFHVURJKSA-N 0 0 298.467 5.020 40 30 in-man CKEBRN CCCCCCCCCCCCCCCCCC=O ZINC000008217412 170325309 /nfs/dbraw/zinc/32/53/09/170325309.db2.gz FWWQKRXKHIRPJY-UHFFFAOYSA-N 0 0 268.485 6.447 40 30 endogenous,in-man CKEBRN COc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1C ZINC000008277794 567929784 /nfs/dbraw/zinc/92/97/84/567929784.db2.gz LLPUGTJOYLEEKA-GIJQJNRQSA-N 0 0 294.181 5.061 40 30 CKEBRN COc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000008277883 567938923 /nfs/dbraw/zinc/93/89/23/567938923.db2.gz DTCNCTMZTLCVEA-GIJQJNRQSA-N 0 0 294.181 5.061 40 30 CKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1cc(C)ccc1C ZINC000008367957 567078973 /nfs/dbraw/zinc/07/89/73/567078973.db2.gz OCXNOKQAIRFSQT-UDWIEESQSA-N 0 0 299.801 5.272 40 30 CKEBRN C=CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000008368024 567079777 /nfs/dbraw/zinc/07/97/77/567079777.db2.gz WALPBMKYGCOWGU-UDWIEESQSA-N 0 0 299.801 5.272 40 30 CKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc(C)cc1C ZINC000008368572 567078536 /nfs/dbraw/zinc/07/85/36/567078536.db2.gz PKHIMDVJFRURPM-UDWIEESQSA-N 0 0 299.801 5.272 40 30 CKEBRN C=CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000008368647 567079222 /nfs/dbraw/zinc/07/92/22/567079222.db2.gz IUDPQFXBLDSMRU-UDWIEESQSA-N 0 0 299.801 5.272 40 30 CKEBRN COc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1Cl ZINC000008371754 567931074 /nfs/dbraw/zinc/93/10/74/567931074.db2.gz MGCCOLBRRMGRMX-GIJQJNRQSA-N 0 0 294.181 5.061 40 30 CKEBRN Cc1ccccc1/N=C/c1c(Cl)cccc1Cl ZINC000008570794 570219227 /nfs/dbraw/zinc/21/92/27/570219227.db2.gz UTOCFKFLJIZJMI-RQZCQDPDSA-N 0 0 264.155 5.052 40 30 CKEBRN COc1c(Cl)cc(/C=N/c2ccccc2C)cc1Cl ZINC000008570815 567081339 /nfs/dbraw/zinc/08/13/39/567081339.db2.gz XCPUWVCASGVGLJ-GIJQJNRQSA-N 0 0 294.181 5.061 40 30 CKEBRN O=C(/C=C\C=C\c1ccccc1)/C=C\C=C/c1ccccc1 ZINC000008580399 527652643 /nfs/dbraw/zinc/65/26/43/527652643.db2.gz RLJALOQFYHCJKG-HRPMROCJSA-N 0 0 286.374 5.095 40 30 CKEBRN O=C(/C=C/C=C\c1ccccc1)/C=C\C=C/c1ccccc1 ZINC000008580401 527596576 /nfs/dbraw/zinc/59/65/76/527596576.db2.gz RLJALOQFYHCJKG-XGEJYKETSA-N 0 0 286.374 5.095 40 30 CKEBRN C(=C\c1ccccc1)\C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000008612416 170342551 /nfs/dbraw/zinc/34/25/51/170342551.db2.gz KNNZYQMTSPFAGR-ZCCHZLDOSA-N 0 0 295.385 5.674 40 30 in-vitro CKEBRN C/C=C\S/C(=N/c1ccccc1)Nc1ccccc1 ZINC000008655891 170344208 /nfs/dbraw/zinc/34/42/08/170344208.db2.gz YDKYFODTSPCZQY-SILLCRNTSA-N 0 0 268.385 5.053 40 30 CKEBRN C/C(=N\N=C(\C)c1ccc(C)cc1C)c1ccc(C)cc1C ZINC000012338969 170476986 /nfs/dbraw/zinc/47/69/86/170476986.db2.gz DHBHRMINRYIUIH-QGFZOGOGSA-N 0 0 292.426 5.153 40 30 CKEBRN C/C(=N/N=C(/C)c1ccc(C)cc1C)c1ccc(C)cc1C ZINC000012338970 567862554 /nfs/dbraw/zinc/86/25/54/567862554.db2.gz DHBHRMINRYIUIH-SVJWQLCWSA-N 0 0 292.426 5.153 40 30 CKEBRN C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]23C)O1 ZINC000012654209 170502966 /nfs/dbraw/zinc/50/29/66/170502966.db2.gz IGGWKHQYMAJOHK-KRFUXDQASA-N 0 0 290.491 5.743 40 30 CKEBRN CC(C)(C)C(=O)/C=C\c1ccc(Oc2ccccc2)cc1 ZINC000013139331 567865200 /nfs/dbraw/zinc/86/52/00/567865200.db2.gz OMBNYCIRAPPYPB-KAMYIIQDSA-N 0 0 280.367 5.107 40 30 CKEBRN C(/C=C\c1ccccc1)=N\c1ccc2c(c1)Cc1ccccc1-2 ZINC000013703862 567867271 /nfs/dbraw/zinc/86/72/71/567867271.db2.gz KNNZYQMTSPFAGR-NPFPINIASA-N 0 0 295.385 5.674 40 30 in-vitro CKEBRN C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(OC)cc(C)cc1OC ZINC000013831211 560220710 /nfs/dbraw/zinc/22/07/10/560220710.db2.gz ICHJMVMWPKLUKT-HOTGVXAUSA-N 0 0 286.415 5.028 40 30 in-vitro CKEBRN CC[C@@H](C)CCCC/C=C/CCCCCCC=O ZINC000014592023 566962745 /nfs/dbraw/zinc/96/27/45/566962745.db2.gz HSGUJTMCFWXGAP-QQOXCAACSA-N 0 0 252.442 5.689 40 30 CKEBRN CC[C@H](C)CCCC/C=C/CCCCCCC=O ZINC000014592024 566962681 /nfs/dbraw/zinc/96/26/81/566962681.db2.gz HSGUJTMCFWXGAP-UABRLCRWSA-N 0 0 252.442 5.689 40 30 CKEBRN C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C/C=C/C(C)(C)O)C[C@@H]12 ZINC000014679139 566895955 /nfs/dbraw/zinc/89/59/55/566895955.db2.gz VGVBCHZWSHUBLW-AAWJUBKHSA-N 0 0 288.475 5.423 40 30 CKEBRN [N-]=[N+]=Nc1ccc(Oc2ccc(N=[N+]=[N-])cc2)cc1 ZINC000015020119 566829485 /nfs/dbraw/zinc/82/94/85/566829485.db2.gz BVKCTCWYHGXELK-UHFFFAOYSA-N 0 0 252.237 5.363 40 30 in-vitro CKEBRN [N-]=[N+]=Nc1ccc(CCc2ccc(N=[N+]=[N-])cc2)cc1 ZINC000015020121 566828949 /nfs/dbraw/zinc/82/89/49/566828949.db2.gz XWOUTRFQXXRCIU-UHFFFAOYSA-N 0 0 264.292 5.355 40 30 in-vitro CKEBRN CCc1ccc(C(=O)C=CNc2ccc(C)c(Cl)c2)cc1 ZINC000016161449 567872316 /nfs/dbraw/zinc/87/23/16/567872316.db2.gz YPNDTIPOYCRKCD-KHPPLWFESA-N 0 0 299.801 5.019 40 30 CKEBRN Clc1ccc(N=NC=CC(Cl)c2ccccc2)cc1 ZINC000016450698 567873034 /nfs/dbraw/zinc/87/30/34/567873034.db2.gz LNASEHBLZFPZNO-MIKCAUBTSA-N 0 0 291.181 5.018 40 30 CKEBRN C(=N/c1cccc(/N=C/c2ccccc2)c1)\c1ccccc1 ZINC000016451004 260099002 /nfs/dbraw/zinc/09/90/02/260099002.db2.gz CBQMVIHKOJZBAZ-YHARCJFQSA-N 0 0 284.362 5.188 40 30 CKEBRN CCCCC/C(=N\O)c1ccc(-c2ccccc2)cc1 ZINC000016637720 170706800 /nfs/dbraw/zinc/70/68/00/170706800.db2.gz ZGAMHFIERTVTAN-VHEBQXMUSA-N 0 0 267.372 5.112 40 30 CKEBRN C/C(=N\c1cccc2ccccc21)c1cc(Cl)ccc1O ZINC000016671065 567873220 /nfs/dbraw/zinc/87/32/20/567873220.db2.gz NBGBHKXEZDPSMY-UDWIEESQSA-N 0 0 295.769 5.340 40 30 CKEBRN O=C(/C=C\C=C/c1ccccc1)/C=C\C=C/c1ccccc1 ZINC000016892532 567873860 /nfs/dbraw/zinc/87/38/60/567873860.db2.gz RLJALOQFYHCJKG-WCQNVVTFSA-N 0 0 286.374 5.095 40 30 CKEBRN CC(C)c1ccc(/C=N\N=C/c2ccc(C(C)C)cc2)cc1 ZINC000016923594 567874159 /nfs/dbraw/zinc/87/41/59/567874159.db2.gz PJIGTEXYLLRIRT-JZTLMNBPSA-N 0 0 292.426 5.386 40 30 CKEBRN [N-]=[N+]=Nc1ccnc2ccc(C3CCCCC3)cc12 ZINC000016942210 567874023 /nfs/dbraw/zinc/87/40/23/567874023.db2.gz ZZUWGLJGLLMMQQ-UHFFFAOYSA-N 0 0 252.321 5.224 40 30 CKEBRN Cc1cc(N=[N+]=[N-])c2cc(C3CCCCC3)ccc2n1 ZINC000016942254 567874088 /nfs/dbraw/zinc/87/40/88/567874088.db2.gz JJOIVOFZCSAEAE-UHFFFAOYSA-N 0 0 266.348 5.533 40 30 CKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1 ZINC000016942822 528276141 /nfs/dbraw/zinc/27/61/41/528276141.db2.gz GRABOUDUOZGJLO-BNGMRHCJSA-N 0 0 284.790 5.231 40 30 CKEBRN C=CCCCCCCCCC(=O)OC1CCCCC1 ZINC000016951910 527113450 /nfs/dbraw/zinc/11/34/50/527113450.db2.gz ZVOATAPORJSUST-UHFFFAOYSA-N 0 0 266.425 5.169 40 30 CKEBRN FC(F)(F)c1cccc(/N=C/c2ccccc2Cl)c1 ZINC000016952984 567874194 /nfs/dbraw/zinc/87/41/94/567874194.db2.gz MWUZPYNPLPQOPF-DJKKODMXSA-N 0 0 283.680 5.109 40 30 CKEBRN CCCCCCC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000016955363 528114373 /nfs/dbraw/zinc/11/43/73/528114373.db2.gz GYUAJPUNRBVZJZ-NTMALXAHSA-N 0 0 285.214 5.546 40 30 CKEBRN CCCCCCC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000016955364 528114312 /nfs/dbraw/zinc/11/43/12/528114312.db2.gz NDUOAXFSJRXWNF-CLFYSBASSA-N 0 0 285.214 5.546 40 30 CKEBRN O=C(/C=C/c1cccc2ccccc12)c1ccccc1Cl ZINC000016957583 567874013 /nfs/dbraw/zinc/87/40/13/567874013.db2.gz WXNBNBAXTJIKSU-OUKQBFOZSA-N 0 0 292.765 5.389 40 30 CKEBRN c1ccc(CC[C@H]2CCCS/C2=N\c2ccccc2)cc1 ZINC000016968420 570225437 /nfs/dbraw/zinc/22/54/37/570225437.db2.gz NHIQXRUCYGNWBY-FTHOYRMOSA-N 0 0 295.451 5.493 40 30 CKEBRN C/C(=C\C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016969712 570234824 /nfs/dbraw/zinc/23/48/24/570234824.db2.gz JCLHZOCYZUYOCS-ZHACJKMWSA-N 0 0 291.177 5.280 40 30 CKEBRN CC1(C)C/C(=C\c2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000016973547 570225524 /nfs/dbraw/zinc/22/55/24/570225524.db2.gz HFLZOOFWBQTRBZ-SDNWHVSQSA-N 0 0 296.797 5.288 40 30 CKEBRN O=C(/C=C/c1cccc2ccccc12)c1ccc(Cl)cc1 ZINC000016983172 570225958 /nfs/dbraw/zinc/22/59/58/570225958.db2.gz XPHQJOOQZCMEMB-JLHYYAGUSA-N 0 0 292.765 5.389 40 30 CKEBRN C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000016998227 567096334 /nfs/dbraw/zinc/09/63/34/567096334.db2.gz CECREIRZLPLYDM-UMGGQSCQSA-N 0 0 290.491 5.502 40 30 CKEBRN CCCCC/C(C)=C1\Oc2c(c(C)cc(C)c2C)C1=O ZINC000017003510 570226417 /nfs/dbraw/zinc/22/64/17/570226417.db2.gz CWONGEACUFNMJN-BOPFTXTBSA-N 0 0 272.388 5.041 40 30 CKEBRN C[C@@H]1CC/C(=C/c2ccccc2)C(=O)/C1=C\c1ccccc1 ZINC000017004163 570226366 /nfs/dbraw/zinc/22/63/66/570226366.db2.gz CLIGIHASZVYIMB-GHVKXBPGSA-N 0 0 288.390 5.153 40 30 CKEBRN CCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000017014907 528099896 /nfs/dbraw/zinc/09/98/96/528099896.db2.gz CNNTXSNTKQVTPV-XCFXSZPASA-N 0 0 293.414 5.143 40 30 CKEBRN CCCC[C@H](/C=N\N=C/[C@@H](CC)CCCC)CC ZINC000017020034 170721062 /nfs/dbraw/zinc/72/10/62/170721062.db2.gz FHVPAZLVJZJLPQ-ZKAOUPLJSA-N 0 0 252.446 5.476 40 30 CKEBRN CCCC[C@H](/C=N/N=C\[C@@H](CC)CCCC)CC ZINC000017020036 170721037 /nfs/dbraw/zinc/72/10/37/170721037.db2.gz FHVPAZLVJZJLPQ-NIXVTTLOSA-N 0 0 252.446 5.476 40 30 CKEBRN CCCC[C@H](/C=N\N=C\[C@@H](CC)CCCC)CC ZINC000017020038 567874499 /nfs/dbraw/zinc/87/44/99/567874499.db2.gz FHVPAZLVJZJLPQ-FSHDWCMBSA-N 0 0 252.446 5.476 40 30 CKEBRN CCCC[C@H](/C=N/N=C/[C@@H](CC)CCCC)CC ZINC000017020040 567874668 /nfs/dbraw/zinc/87/46/68/567874668.db2.gz FHVPAZLVJZJLPQ-KUZLKFLESA-N 0 0 252.446 5.476 40 30 CKEBRN C=C(CCCCC)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017021116 526863228 /nfs/dbraw/zinc/86/32/28/526863228.db2.gz QNXBBKTWQSKPNC-NTMALXAHSA-N 0 0 297.225 5.712 40 30 CKEBRN Clc1ccccc1/C=N/c1cccc2ccccc21 ZINC000017039958 170723621 /nfs/dbraw/zinc/72/36/21/170723621.db2.gz PXXFNKDJMZPGMA-XDHOZWIPSA-N 0 0 265.743 5.244 40 30 CKEBRN CC(C)/C(=N\N=C(\c1ccccc1)C(C)C)c1ccccc1 ZINC000017043029 170723909 /nfs/dbraw/zinc/72/39/09/170723909.db2.gz SAZJQRZEFJJZJF-FLFKKZLDSA-N 0 0 292.426 5.192 40 30 CKEBRN CC(C)/C(=N/N=C(\c1ccccc1)C(C)C)c1ccccc1 ZINC000017043036 567874639 /nfs/dbraw/zinc/87/46/39/567874639.db2.gz SAZJQRZEFJJZJF-WRBBJXAJSA-N 0 0 292.426 5.192 40 30 CKEBRN CCCCCCC(/C=C\c1ccccc1Cl)=N\O ZINC000017060395 528114358 /nfs/dbraw/zinc/11/43/58/528114358.db2.gz VFGRQGQSCTYMFC-KMAOEOGZSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCC(/C=C/c1ccccc1Cl)=N\O ZINC000017060396 528113753 /nfs/dbraw/zinc/11/37/53/528113753.db2.gz VFGRQGQSCTYMFC-MUIYJVFTSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCC(/C=C\c1ccc(Cl)cc1)=N\O ZINC000017060398 528113898 /nfs/dbraw/zinc/11/38/98/528113898.db2.gz MRPYNAJVTDJIBH-AWGMXQMZSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCC(/C=C/c1ccc(Cl)cc1)=N\O ZINC000017060399 170724401 /nfs/dbraw/zinc/72/44/01/170724401.db2.gz MRPYNAJVTDJIBH-VAOWDNLSSA-N 0 0 265.784 5.154 40 30 CKEBRN CCc1ccc(C(=O)C=CNc2cc(Cl)ccc2C)cc1 ZINC000017087104 529589803 /nfs/dbraw/zinc/58/98/03/529589803.db2.gz CEAWJXNHLOENSU-ZHACJKMWSA-N 0 0 299.801 5.019 40 30 CKEBRN Cc1ccc(/C(=N\c2ccccc2)c2ccccc2C)cc1 ZINC000017106902 567874788 /nfs/dbraw/zinc/87/47/88/567874788.db2.gz BTTGLUDTRRJKKH-QURGRASLSA-N 0 0 285.390 5.473 40 30 CKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000017120336 170725601 /nfs/dbraw/zinc/72/56/01/170725601.db2.gz YGBYJPWPAIVCHU-CLFYSBASSA-N 0 0 283.198 5.156 40 30 CKEBRN CCCCC[C@@H](CSCC)C(=O)/C=C\c1ccccc1 ZINC000017125313 520290778 /nfs/dbraw/zinc/29/07/78/520290778.db2.gz WUSCEWCYPXVUFP-NJWFCXLTSA-N 0 0 290.472 5.219 40 30 CKEBRN CCCCC[C@H](CSCC)C(=O)/C=C\c1ccccc1 ZINC000017125316 520313740 /nfs/dbraw/zinc/31/37/40/520313740.db2.gz WUSCEWCYPXVUFP-LKBMAGLMSA-N 0 0 290.472 5.219 40 30 CKEBRN CC(C)(C)C1CCC(C#N)(/N=N/c2ccccc2)CC1 ZINC000017126640 567874812 /nfs/dbraw/zinc/87/48/12/567874812.db2.gz XTLYPXSWIOVFAP-FMQUCBEESA-N 0 0 269.392 5.269 40 30 CKEBRN CCCCCCC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000017127550 519949191 /nfs/dbraw/zinc/94/91/91/519949191.db2.gz DTMDOKFRPVCRGV-FPLPWBNLSA-N 0 0 285.214 5.546 40 30 CKEBRN CCCCCCC(=O)/C=C\c1ccc(Br)cc1 ZINC000017127877 519947843 /nfs/dbraw/zinc/94/78/43/519947843.db2.gz KCKQQVVNQHVMKW-XFXZXTDPSA-N 0 0 295.220 5.002 40 30 CKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1 ZINC000017142989 567874893 /nfs/dbraw/zinc/87/48/93/567874893.db2.gz GRABOUDUOZGJLO-OLXGEXDQSA-N 0 0 284.790 5.231 40 30 CKEBRN c1ccc(CC[C@@H]2CCCS/C2=N\c2ccccc2)cc1 ZINC000017146669 567875059 /nfs/dbraw/zinc/87/50/59/567875059.db2.gz NHIQXRUCYGNWBY-SKQREZPOSA-N 0 0 295.451 5.493 40 30 CKEBRN C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C\CO ZINC000017175358 518661830 /nfs/dbraw/zinc/66/18/30/518661830.db2.gz YHXQJKUUMBTWSB-AXRPQZMBSA-N 0 0 290.491 5.814 40 30 CKEBRN C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C\CO ZINC000017175359 518660414 /nfs/dbraw/zinc/66/04/14/518660414.db2.gz YHXQJKUUMBTWSB-XLCIZADVSA-N 0 0 290.491 5.814 40 30 CKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000017197268 567875264 /nfs/dbraw/zinc/87/52/64/567875264.db2.gz ZBJPOWYVNNEFRF-WAPJZHGLSA-N 0 0 295.140 5.029 40 30 CKEBRN Cc1ccc(/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000017197432 567875325 /nfs/dbraw/zinc/87/53/25/567875325.db2.gz RHDMGURICNGYKG-PGMHBOJBSA-N 0 0 298.385 5.419 40 30 CKEBRN CC(C)(C)C(=O)/C=C\c1cccc(Oc2ccccc2)c1 ZINC000017212233 567875305 /nfs/dbraw/zinc/87/53/05/567875305.db2.gz OBLPOFIMGCYGIC-SEYXRHQNSA-N 0 0 280.367 5.107 40 30 CKEBRN CC(C)(C)[C@@H](CC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000017283877 170731900 /nfs/dbraw/zinc/73/19/00/170731900.db2.gz FZRMCJWOUKRDIU-KYFVDPIZSA-N 0 0 292.422 5.489 40 30 CKEBRN CC(C)(C)[C@H](CC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000017283879 567875249 /nfs/dbraw/zinc/87/52/49/567875249.db2.gz FZRMCJWOUKRDIU-HMZRMUTASA-N 0 0 292.422 5.489 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C/C=C\c1ccccc1 ZINC000017287812 567875378 /nfs/dbraw/zinc/87/53/78/567875378.db2.gz WGSOFWGAEOWGGL-HLLJFSTMSA-N 0 0 279.383 5.240 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C/C=C/c1ccccc1 ZINC000017287816 567875284 /nfs/dbraw/zinc/87/52/84/567875284.db2.gz WGSOFWGAEOWGGL-OZNFINNBSA-N 0 0 279.383 5.240 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C/c1ccccc1Cl ZINC000017288785 567875445 /nfs/dbraw/zinc/87/54/45/567875445.db2.gz OTAIJMNIXXQPMD-VXLYETTFSA-N 0 0 287.790 5.228 40 30 CKEBRN O=C(/C=C\c1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000017301016 170732404 /nfs/dbraw/zinc/73/24/04/170732404.db2.gz PSNXNXUTCMQGHA-WJDWOHSUSA-N 0 0 290.406 5.630 40 30 CKEBRN O=C(/C=C/c1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000017301018 567935174 /nfs/dbraw/zinc/93/51/74/567935174.db2.gz PSNXNXUTCMQGHA-LFIBNONCSA-N 0 0 290.406 5.630 40 30 CKEBRN CC1=C/C(=N/N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1 ZINC000017310803 567875719 /nfs/dbraw/zinc/87/57/19/567875719.db2.gz XJEYYLXANADAGE-VBGLAJCLSA-N 0 0 272.436 5.316 40 30 CKEBRN CC(/C=N/c1c(C)ccc(C(C)C)c1O)=C/c1ccccc1 ZINC000017312093 567875709 /nfs/dbraw/zinc/87/57/09/567875709.db2.gz GAFPREISOZXBSX-IALJSVHUSA-N 0 0 293.410 5.630 40 30 CKEBRN CC(/C=N/c1c(C)ccc(C(C)C)c1O)=C\c1ccccc1 ZINC000017312095 567875733 /nfs/dbraw/zinc/87/57/33/567875733.db2.gz GAFPREISOZXBSX-XLLHXKPXSA-N 0 0 293.410 5.630 40 30 CKEBRN CC/C(=N\O)c1ccc2cc(Cl)c3ccccc3c2c1 ZINC000017312219 567875555 /nfs/dbraw/zinc/87/55/55/567875555.db2.gz YLGGLONKSBOZFO-HTXNQAPBSA-N 0 0 283.758 5.235 40 30 CKEBRN O=C(/C=C\c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000017314014 567875824 /nfs/dbraw/zinc/87/58/24/567875824.db2.gz SWOYNTHAVGKVJZ-IWQZZHSRSA-N 0 0 289.208 5.013 40 30 CKEBRN O=C(/C=C\c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000017314061 567875844 /nfs/dbraw/zinc/87/58/44/567875844.db2.gz UYSQTRSUAALZHQ-GHXNOFRVSA-N 0 0 292.765 5.389 40 30 CKEBRN O=C(/C=C\c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000017314486 567875470 /nfs/dbraw/zinc/87/54/70/567875470.db2.gz LTWFSMHHLMTFFU-WJDWOHSUSA-N 0 0 284.358 5.250 40 30 CKEBRN Clc1ccc(/C=N\c2cccc(Cl)c2)c(Cl)c1 ZINC000017315465 567875752 /nfs/dbraw/zinc/87/57/52/567875752.db2.gz WQOLVZSVRHGODE-IUXPMGMMSA-N 0 0 284.573 5.397 40 30 CKEBRN C[C@@H]1CC/C(=C\c2ccccc2)C(=O)/C1=C\c1ccccc1 ZINC000017352739 567875724 /nfs/dbraw/zinc/87/57/24/567875724.db2.gz CLIGIHASZVYIMB-UCHPGCGESA-N 0 0 288.390 5.153 40 30 CKEBRN C(=N/c1ccccc1)\c1ccc(/C=N\c2ccccc2)cc1 ZINC000017719773 567876107 /nfs/dbraw/zinc/87/61/07/567876107.db2.gz XYMUFEVKENAHFB-KBNZVFGVSA-N 0 0 284.362 5.188 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(C)C)cc1 ZINC000017780382 534007922 /nfs/dbraw/zinc/00/79/22/534007922.db2.gz BGYWIPPCORRYFW-CIAFOILYSA-N 0 0 295.426 5.698 40 30 CKEBRN C(=N\c1ccc(-c2ccccc2)cc1)\c1ccccc1 ZINC000017835859 567876148 /nfs/dbraw/zinc/87/61/48/567876148.db2.gz WXZIDPUAURHXQI-HKWRFOASSA-N 0 0 257.336 5.104 40 30 CKEBRN C(CCCCCCC[C@H]1CO1)CCCCCC[C@@H]1CO1 ZINC000017969022 567875872 /nfs/dbraw/zinc/87/58/72/567875872.db2.gz WSOIAYXUPXLABQ-HDICACEKSA-N 0 0 282.468 5.245 40 30 CKEBRN C[C@]1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1 ZINC000017992435 567876032 /nfs/dbraw/zinc/87/60/32/567876032.db2.gz YKSJJIVIUQUODD-JBCNATCCSA-N 0 0 298.389 5.148 40 30 CKEBRN O=C1/C(=C/c2ccccc2)CCCC/C1=C/c1ccccc1 ZINC000018042441 170740523 /nfs/dbraw/zinc/74/05/23/170740523.db2.gz CDWCNIVDIALVDN-VBGLAJCLSA-N 0 0 288.390 5.297 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C1\C=CCc2ccccc21 ZINC000018042509 570282632 /nfs/dbraw/zinc/28/26/32/570282632.db2.gz LFMOQPQBDLZSCZ-DYTRJAOYSA-N 0 0 291.394 5.057 40 30 CKEBRN Cc1ccc(/N=C2\CCCC[C@@H]2Nc2ccc(C)cc2)cc1 ZINC000018042767 567876287 /nfs/dbraw/zinc/87/62/87/567876287.db2.gz MDKCLFSIQHQHBS-QGWGWZPUSA-N 0 0 292.426 5.431 40 30 CKEBRN C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccccc1 ZINC000018067533 567876401 /nfs/dbraw/zinc/87/64/01/567876401.db2.gz MZLBNAQKLUROAC-STZFKDTASA-N 0 0 269.347 5.008 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(Cl)cc1 ZINC000018141321 567876451 /nfs/dbraw/zinc/87/64/51/567876451.db2.gz XZVDESMFBWJQAP-VXLYETTFSA-N 0 0 287.790 5.228 40 30 CKEBRN Cc1ccc(/N=C2\CCCC[C@H]2Nc2ccc(C)cc2)cc1 ZINC000018252442 567876744 /nfs/dbraw/zinc/87/67/44/567876744.db2.gz MDKCLFSIQHQHBS-ABDBUPHLSA-N 0 0 292.426 5.431 40 30 CKEBRN C(=N/c1ccc(CSc2ccccc2)cc1)\c1ccco1 ZINC000020242143 567081312 /nfs/dbraw/zinc/08/13/12/567081312.db2.gz KFWJOASVNAZNQH-CPNJWEJPSA-N 0 0 293.391 5.323 40 30 CKEBRN CCCCC#Cc1cccc2oc(-c3ccccc3)cc21 ZINC000022011302 171349388 /nfs/dbraw/zinc/34/93/88/171349388.db2.gz WYHJZBJRWLNRGB-UHFFFAOYSA-N 0 0 274.363 5.642 40 30 CKEBRN C(#Cc1cccc2oc(-c3ccccc3)cc21)c1ccccc1 ZINC000022015440 171349477 /nfs/dbraw/zinc/34/94/77/171349477.db2.gz BQMSASRJSHFXJP-UHFFFAOYSA-N 0 0 294.353 5.500 40 30 CKEBRN C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1cccs1 ZINC000022246800 171382649 /nfs/dbraw/zinc/38/26/49/171382649.db2.gz GGFCRFMEXFTGCC-XDHOZWIPSA-N 0 0 275.376 5.070 40 30 CKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C/C(=N/O)CC[C@]3(C)[C@H]1CC2 ZINC000026295995 567949971 /nfs/dbraw/zinc/94/99/71/567949971.db2.gz JUOKOKWZZXYKBQ-ZJQBXXRCSA-N 0 0 289.463 5.249 40 30 CKEBRN CC[C@@H](C)CCCC/C=C\CCCCCCC=O ZINC000031361482 566962943 /nfs/dbraw/zinc/96/29/43/566962943.db2.gz HSGUJTMCFWXGAP-XTKXOIQPSA-N 0 0 252.442 5.689 40 30 CKEBRN CC[C@H](C)CCCC/C=C\CCCCCCC=O ZINC000031361484 171636368 /nfs/dbraw/zinc/63/63/68/171636368.db2.gz HSGUJTMCFWXGAP-WVRJYTFGSA-N 0 0 252.442 5.689 40 30 CKEBRN Clc1cc(Cl)c(N=NCc2ccccc2)c(Cl)c1 ZINC000031647472 567885275 /nfs/dbraw/zinc/88/52/75/567885275.db2.gz VOVHIQWFBPFFMA-IUXPMGMMSA-N 0 0 299.588 5.093 40 30 CKEBRN CCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000031667569 567885030 /nfs/dbraw/zinc/88/50/30/567885030.db2.gz CNNTXSNTKQVTPV-KPVYVFMXSA-N 0 0 293.414 5.143 40 30 CKEBRN CCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000031667571 567885096 /nfs/dbraw/zinc/88/50/96/567885096.db2.gz CNNTXSNTKQVTPV-PSNBXYPMSA-N 0 0 293.414 5.143 40 30 CKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1 ZINC000031772542 567885006 /nfs/dbraw/zinc/88/50/06/567885006.db2.gz GRABOUDUOZGJLO-SZXXTAFNSA-N 0 0 284.790 5.231 40 30 CKEBRN CCc1cccc(C)c1NC=CC(=O)c1ccc(Cl)cc1 ZINC000032100127 567885597 /nfs/dbraw/zinc/88/55/97/567885597.db2.gz MKIFVMJMANIWKV-VAWYXSNFSA-N 0 0 299.801 5.019 40 30 CKEBRN O=C(C=CNc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000032100186 567885727 /nfs/dbraw/zinc/88/57/27/567885727.db2.gz LZLTWISCHZLOIU-FOCLMDBBSA-N 0 0 299.373 5.162 40 30 CKEBRN CCc1cccc(C)c1NC(C)=CC(=O)c1ccc(C)cc1 ZINC000032100411 567885408 /nfs/dbraw/zinc/88/54/08/567885408.db2.gz FIMFULPAYYUBEQ-DTQAZKPQSA-N 0 0 293.410 5.064 40 30 CKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccccc1C(C)C ZINC000032100425 567885680 /nfs/dbraw/zinc/88/56/80/567885680.db2.gz FKLOPFTXPKWKCV-DTQAZKPQSA-N 0 0 293.410 5.317 40 30 CKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(Cl)c1C ZINC000032100447 567885580 /nfs/dbraw/zinc/88/55/80/567885580.db2.gz PMFZSWCCFKNBFM-ACCUITESSA-N 0 0 299.801 5.155 40 30 CKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(C)cc1C ZINC000032100546 567885498 /nfs/dbraw/zinc/88/54/98/567885498.db2.gz AODFBMYTUARODV-SDNWHVSQSA-N 0 0 299.801 5.155 40 30 CKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cc(C)ccc1C ZINC000032100547 171697360 /nfs/dbraw/zinc/69/73/60/171697360.db2.gz RBQLJEVBKYMYJK-SDNWHVSQSA-N 0 0 299.801 5.155 40 30 CKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1c(C)cccc1C ZINC000032100550 567885464 /nfs/dbraw/zinc/88/54/64/567885464.db2.gz QBAZKSDQUSPEBQ-SDNWHVSQSA-N 0 0 299.801 5.155 40 30 CKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(F)c(Cl)c1 ZINC000032101497 567885647 /nfs/dbraw/zinc/88/56/47/567885647.db2.gz LQTFTYRUIIQDBU-KEBDBYFISA-N 0 0 299.732 5.089 40 30 CKEBRN CCc1cccc(C)c1/N=C/c1c(O)ccc2ccccc21 ZINC000032101504 567885490 /nfs/dbraw/zinc/88/54/90/567885490.db2.gz XJVCLOOVJXOQEB-FYJGNVAPSA-N 0 0 289.378 5.167 40 30 CKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc2ccccc2c1O ZINC000032101624 567885469 /nfs/dbraw/zinc/88/54/69/567885469.db2.gz XPRDZGRLCKHXQD-RGVLZGJSSA-N 0 0 295.769 5.258 40 30 CKEBRN Cc1ccc(Cl)c(/N=C/c2ccc3ccccc3c2O)c1 ZINC000032101628 567885385 /nfs/dbraw/zinc/88/53/85/567885385.db2.gz SBCUUNCHSSEFHR-RGVLZGJSSA-N 0 0 295.769 5.258 40 30 CKEBRN Cc1c(Cl)cccc1/N=C/c1ccc2ccccc2c1O ZINC000032101701 567885409 /nfs/dbraw/zinc/88/54/09/567885409.db2.gz URKWANFNACLGJH-RGVLZGJSSA-N 0 0 295.769 5.258 40 30 CKEBRN CCc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000032125533 567886098 /nfs/dbraw/zinc/88/60/98/567886098.db2.gz FMFFMXVPSNPAAY-NTEUORMPSA-N 0 0 278.395 5.269 40 30 CKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000032128304 567885807 /nfs/dbraw/zinc/88/58/07/567885807.db2.gz QIIFBAKKQYFNPY-AWNIVKPZSA-N 0 0 282.358 5.019 40 30 CKEBRN CCc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000032153828 567885798 /nfs/dbraw/zinc/88/57/98/567885798.db2.gz VECYMDOSPOEAEX-XNTDXEJSSA-N 0 0 292.422 5.443 40 30 CKEBRN Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C ZINC000032153832 567885800 /nfs/dbraw/zinc/88/58/00/567885800.db2.gz BBCGMPDGJYMKGF-UKTHLTGXSA-N 0 0 292.422 5.497 40 30 CKEBRN C/C(=N\c1ccc(CSc2ccccc2)cc1)C(C)(C)C ZINC000033620792 567095482 /nfs/dbraw/zinc/09/54/82/567095482.db2.gz LRYTUHOJEYPJDG-HMMYKYKNSA-N 0 0 297.467 6.117 40 30 CKEBRN O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000033649812 171816726 /nfs/dbraw/zinc/81/67/26/171816726.db2.gz RQGIKXGNYNUHFY-QPJJXVBHSA-N 0 0 295.140 5.029 40 30 CKEBRN c1cc(C23CC4CC(CC(C4)C2)C3)ccc1N=C1CCCC1 ZINC000033740738 567094647 /nfs/dbraw/zinc/09/46/47/567094647.db2.gz IWVIMVPERAQJKA-UHFFFAOYSA-N 0 0 293.454 5.801 40 30 CKEBRN CCCCCC/C=C/C=C\CCCCCCCC(=O)OC ZINC000034058719 567886948 /nfs/dbraw/zinc/88/69/48/567886948.db2.gz KVIWYYOMPLJRMC-OCBXPSTGSA-N 0 0 294.479 5.973 40 30 CKEBRN C=C[C@]1(C)CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)O1 ZINC000034126008 570347355 /nfs/dbraw/zinc/34/73/55/570347355.db2.gz IGGWKHQYMAJOHK-BDUQCRIQSA-N 0 0 290.491 5.743 40 30 CKEBRN C=C[C@]1(C)CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@]2(C)O1 ZINC000034126009 570347339 /nfs/dbraw/zinc/34/73/39/570347339.db2.gz IGGWKHQYMAJOHK-MSJBJCGKSA-N 0 0 290.491 5.743 40 30 CKEBRN C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C/C=C\C(C)(C)O)C[C@@H]12 ZINC000034689068 570347371 /nfs/dbraw/zinc/34/73/71/570347371.db2.gz VGVBCHZWSHUBLW-AQWZLMRDSA-N 0 0 288.475 5.423 40 30 CKEBRN C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C\C=C/C(C)(C)O)C[C@@H]12 ZINC000034689069 570347379 /nfs/dbraw/zinc/34/73/79/570347379.db2.gz VGVBCHZWSHUBLW-IJDZAYKKSA-N 0 0 288.475 5.423 40 30 CKEBRN CCCCCCCCCCCCCC[C@]1(C(=O)OC)CO1 ZINC000036338586 567877660 /nfs/dbraw/zinc/87/76/60/567877660.db2.gz RSSDZUNGAWCFPT-GOSISDBHSA-N 0 0 298.467 5.020 40 30 in-man CKEBRN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OCc1cccc(Cl)c1)C2 ZINC000038534234 174144082 /nfs/dbraw/zinc/14/40/82/174144082.db2.gz OFYWOCDURUDKMP-MUYFYYQASA-N 0 0 291.822 5.059 40 30 CKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Cl)cc1 ZINC000039372306 326878957 /nfs/dbraw/zinc/87/89/57/326878957.db2.gz MDVCHPJBGXWVNH-RQZCQDPDSA-N 0 0 264.155 5.052 40 30 CKEBRN CCC(C)N=Nc1nc2ccc(-c3ccccc3)cc2s1 ZINC000040542455 174323284 /nfs/dbraw/zinc/32/32/84/174323284.db2.gz ZKSSHXFSCSZACL-XDHOZWIPSA-N 0 0 295.411 5.161 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@@H](C)O ZINC000042851296 567892011 /nfs/dbraw/zinc/89/20/11/567892011.db2.gz OXGBCSQEKCRCHN-GOSISDBHSA-N 0 0 270.501 6.239 40 30 CKEBRN CCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C ZINC000043068415 567891934 /nfs/dbraw/zinc/89/19/34/567891934.db2.gz HFOFYNMWYRXIBP-RBUKOAKNSA-N 0 0 282.512 6.501 40 30 CKEBRN CCCCCCCCCCCCCCn1ccnc1 ZINC000043300604 570350906 /nfs/dbraw/zinc/35/09/06/570350906.db2.gz TZMGRMKTZVQDMX-UHFFFAOYSA-N 0 0 264.457 5.584 40 30 CKEBRN CCCCCCCCCCCCCCCCOC(=O)CC ZINC000043382038 175031150 /nfs/dbraw/zinc/03/11/50/175031150.db2.gz RSRQBSGZMPVCOI-UHFFFAOYSA-N 0 0 298.511 6.421 40 30 CKEBRN CCCCCCCCCCCCCC(=O)OCCC(C)C ZINC000043523782 175062005 /nfs/dbraw/zinc/06/20/05/175062005.db2.gz AISCBZKHUSXEOC-UHFFFAOYSA-N 0 0 298.511 6.277 40 30 CKEBRN CCCCCCCCCCCCCC(=O)N(CC)CC ZINC000043523806 175062079 /nfs/dbraw/zinc/06/20/79/175062079.db2.gz DNRJXSFQAZGKPT-UHFFFAOYSA-N 0 0 283.500 5.556 40 30 CKEBRN C=CCOC(=O)CCCCCCCCCCCCCCC ZINC000044181417 175151595 /nfs/dbraw/zinc/15/15/95/175151595.db2.gz HAFZJTKIBGEQKT-UHFFFAOYSA-N 0 0 296.495 6.197 40 30 CKEBRN CCCCCCCCCCCCOC(=O)c1ccccc1 ZINC000044418292 260190366 /nfs/dbraw/zinc/19/03/66/260190366.db2.gz DLAHAXOYRFRPFQ-UHFFFAOYSA-N 0 0 290.447 5.764 40 30 in-man CKEBRN CC(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1 ZINC000044603405 567922871 /nfs/dbraw/zinc/92/28/71/567922871.db2.gz WZOOWBFHZCCVID-BOPFTXTBSA-N 0 0 280.392 5.140 40 30 CKEBRN CCCCCCCCCCCCCC[C@@H]1CCC(=O)O1 ZINC000049878340 567893983 /nfs/dbraw/zinc/89/39/83/567893983.db2.gz GYDWWIHJZSCRGV-QGZVFWFLSA-N 0 0 282.468 5.783 40 30 CKEBRN CCCCCCCCCCCCCC[C@H]1CCC(=O)O1 ZINC000049878342 520007667 /nfs/dbraw/zinc/00/76/67/520007667.db2.gz GYDWWIHJZSCRGV-KRWDZBQOSA-N 0 0 282.468 5.783 40 30 CKEBRN C=CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049959302 566863246 /nfs/dbraw/zinc/86/32/46/566863246.db2.gz HFHRSBKYURPWRU-UHFFFAOYSA-N 0 0 284.402 5.597 40 30 CKEBRN CCCCCCCCCn1c2ccccc2nc1C(C)C ZINC000050861298 520031024 /nfs/dbraw/zinc/03/10/24/520031024.db2.gz RTPVFXJDNTTYCJ-UHFFFAOYSA-N 0 0 286.463 5.910 40 30 CKEBRN CCCCCCCCn1c2ccccc2nc1C(C)C ZINC000050861300 520051440 /nfs/dbraw/zinc/05/14/40/520051440.db2.gz ZZLNICYMBAHYMW-UHFFFAOYSA-N 0 0 272.436 5.520 40 30 CKEBRN CCCCCCCn1c2ccccc2nc1C(C)C ZINC000050861301 520072982 /nfs/dbraw/zinc/07/29/82/520072982.db2.gz SETYDRWZIRTYAZ-UHFFFAOYSA-N 0 0 258.409 5.130 40 30 CKEBRN CCCCCCCCCCCc1nc2ccccc2n1C ZINC000050861429 567893953 /nfs/dbraw/zinc/89/39/53/567893953.db2.gz MFSDVXGXNSIRFF-UHFFFAOYSA-N 0 0 286.463 5.647 40 30 CKEBRN CCCCCCCCCCCCCCC/C=C/CO ZINC000051943883 566826550 /nfs/dbraw/zinc/82/65/50/566826550.db2.gz NMNAESABLXLQEY-WUKNDPDISA-N 0 0 268.485 6.016 40 30 CKEBRN C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1 ZINC000055161246 566870119 /nfs/dbraw/zinc/87/01/19/566870119.db2.gz BCUMFFLWJNKNOU-UHFFFAOYSA-N 0 0 282.471 6.261 40 30 CKEBRN Clc1cccc(-c2ccc(C=NNc3ccccc3)o2)c1 ZINC000058822375 567956113 /nfs/dbraw/zinc/95/61/13/567956113.db2.gz JZJSMMZTBKMVOH-XDHOZWIPSA-N 0 0 296.757 5.046 40 30 CKEBRN Cc1ccc(/N=C\c2ccc(C(C)(C)C)cc2)cc1 ZINC000058883369 567956122 /nfs/dbraw/zinc/95/61/22/567956122.db2.gz DFCJQFYQOWORRM-UYRXBGFRSA-N 0 0 251.373 5.043 40 30 CKEBRN CC(C)(C)c1ccc(/C=N\c2ccc(Cl)cc2)cc1 ZINC000058883378 256796713 /nfs/dbraw/zinc/79/67/13/256796713.db2.gz DLCXBNYZLSRJAP-UNOMPAQXSA-N 0 0 271.791 5.388 40 30 CKEBRN CCOc1ccc(/N=C\c2ccc(C(C)(C)C)cc2)cc1 ZINC000058883384 256796715 /nfs/dbraw/zinc/79/67/15/256796715.db2.gz LOUZKPVPCBGTLA-ZHZULCJRSA-N 0 0 281.399 5.133 40 30 CKEBRN CCCCCCCCOc1cccc(Br)c1 ZINC000059089353 567896199 /nfs/dbraw/zinc/89/61/99/567896199.db2.gz KSOKLYDSCBZFBE-UHFFFAOYSA-N 0 0 285.225 5.188 40 30 CKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 ZINC000059138145 262386912 /nfs/dbraw/zinc/38/69/12/262386912.db2.gz PPJJHNPQRSKXGJ-NPQOUYBPSA-N 0 0 296.414 5.144 40 30 CKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 ZINC000059138147 262386957 /nfs/dbraw/zinc/38/69/57/262386957.db2.gz PPJJHNPQRSKXGJ-AUQXIXNCSA-N 0 0 296.414 5.144 40 30 CKEBRN CCCCCCCCCCCCCCCCCCNC=O ZINC000059197148 567896233 /nfs/dbraw/zinc/89/62/33/567896233.db2.gz JFBFCFNJBMLUHN-UHFFFAOYSA-N 0 0 297.527 5.994 40 30 CKEBRN CCCCCCCCCOCCCCCCCCC ZINC000059209127 567189481 /nfs/dbraw/zinc/18/94/81/567189481.db2.gz DKZRLCHWDNEKRH-UHFFFAOYSA-N 0 0 270.501 6.504 40 30 CKEBRN Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccccc1 ZINC000059248411 262387723 /nfs/dbraw/zinc/38/77/23/262387723.db2.gz BSAMGIMXRLTROO-DEDYPNTBSA-N 0 0 294.785 5.190 40 30 CKEBRN CC(C)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000059249339 262387382 /nfs/dbraw/zinc/38/73/82/262387382.db2.gz MBKXHTDPOYPVFQ-RCCKNPSSSA-N 0 0 288.394 5.351 40 30 CKEBRN Fc1cccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 ZINC000059250360 262387329 /nfs/dbraw/zinc/38/73/29/262387329.db2.gz DHBHQFDZKKQNTN-UDWIEESQSA-N 0 0 298.748 5.020 40 30 CKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059302703 567956279 /nfs/dbraw/zinc/95/62/79/567956279.db2.gz YYQPJUIWKWUOKZ-DEDYPNTBSA-N 0 0 294.785 5.190 40 30 CKEBRN Fc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059302817 256795959 /nfs/dbraw/zinc/79/59/59/256795959.db2.gz FNMVPADXNNPDCK-UDWIEESQSA-N 0 0 298.748 5.020 40 30 CKEBRN O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000059444467 567956106 /nfs/dbraw/zinc/95/61/06/567956106.db2.gz KCRWALKRBZAXFP-CMDGGOBGSA-N 0 0 295.140 5.029 40 30 CKEBRN Cc1c(Cl)cccc1/N=C/c1cccc2ccccc12 ZINC000059508193 262390379 /nfs/dbraw/zinc/39/03/79/262390379.db2.gz NACUICYTBOVWIK-UDWIEESQSA-N 0 0 279.770 5.552 40 30 CKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Cl)cc1Cl ZINC000059513921 262390382 /nfs/dbraw/zinc/39/03/82/262390382.db2.gz XCSWQWZPHASCFT-QGMBQPNBSA-N 0 0 298.600 5.706 40 30 CKEBRN Cc1c(Cl)cccc1/N=C/c1c(Cl)cccc1Cl ZINC000059513972 262390306 /nfs/dbraw/zinc/39/03/06/262390306.db2.gz KEWRWOKPBRHBQD-QGMBQPNBSA-N 0 0 298.600 5.706 40 30 CKEBRN Cc1ccc(C)c(/N=C/c2c(Cl)cccc2Cl)c1 ZINC000059519264 262390543 /nfs/dbraw/zinc/39/05/43/262390543.db2.gz VKQCBZWCAVAYGW-GIJQJNRQSA-N 0 0 278.182 5.361 40 30 CKEBRN CCCCCCCC1CCC(c2ccc(O)cc2)CC1 ZINC000059608448 519971694 /nfs/dbraw/zinc/97/16/94/519971694.db2.gz LQNATOSZMJPGNE-UHFFFAOYSA-N 0 0 274.448 6.027 40 30 CKEBRN CCCCCCCCCCCOc1cccc(N)c1 ZINC000059608657 567896948 /nfs/dbraw/zinc/89/69/48/567896948.db2.gz MOSNYPKDBDAWML-UHFFFAOYSA-N 0 0 263.425 5.178 40 30 CKEBRN CCCCCCCCCCCc1cc(O)ccc1O ZINC000059608665 567896760 /nfs/dbraw/zinc/89/67/60/567896760.db2.gz ZQVFLVKRECCNSE-UHFFFAOYSA-N 0 0 264.409 5.171 40 30 CKEBRN CCCCCCCCCCc1ccc(O)c2nc(C)ccc12 ZINC000059608700 520025016 /nfs/dbraw/zinc/02/50/16/520025016.db2.gz CPBBETYTPZGAHY-UHFFFAOYSA-N 0 0 299.458 5.932 40 30 CKEBRN CCCCCCCCCCCc1ccc(C#N)c(C#N)c1 ZINC000059608847 567896734 /nfs/dbraw/zinc/89/67/34/567896734.db2.gz JWPPOYOXAMZKRZ-UHFFFAOYSA-N 0 0 282.431 5.503 40 30 CKEBRN CCCCCCCc1ccc(NC(=O)c2ccco2)cc1 ZINC000059662057 567896743 /nfs/dbraw/zinc/89/67/43/567896743.db2.gz XGXHFFBCNKXZNF-UHFFFAOYSA-N 0 0 285.387 5.045 40 30 CKEBRN Cc1c(/C=N/c2ccc3ccccc3c2)c2ccccc2n1C ZINC000059678328 262391217 /nfs/dbraw/zinc/39/12/17/262391217.db2.gz XOCCCDZXPDLJRJ-HYARGMPZSA-N 0 0 298.389 5.391 40 30 CKEBRN CCCCCCCC/C=C/CCCCCCCCCCO ZINC000059724990 567896782 /nfs/dbraw/zinc/89/67/82/567896782.db2.gz QYOZAXQSDUAPDS-MDZDMXLPSA-N 0 0 296.539 6.796 40 30 endogenous,in-man CKEBRN CCCCCCCC/C=C\CCCCOC(C)=O ZINC000059725223 175633254 /nfs/dbraw/zinc/63/32/54/175633254.db2.gz IAGBQBDKOCVGCC-KHPPLWFESA-N 0 0 254.414 5.027 40 30 CKEBRN CCCCCCCCCCCCCCCCCCCC=O ZINC000059725627 567896591 /nfs/dbraw/zinc/89/65/91/567896591.db2.gz FWBUWJHWAKTPHI-UHFFFAOYSA-N 0 0 296.539 7.227 40 30 in-vitro CKEBRN CCCCCCCC/C=C/CCCCCCCC ZINC000060072752 567896838 /nfs/dbraw/zinc/89/68/38/567896838.db2.gz HSNQNPCNYIJJHT-ISLYRVAYSA-N 0 0 252.486 7.044 40 30 in-vitro CKEBRN C=CC(=O)OCCCCCCCCCCCCCCCC ZINC000060097253 567896988 /nfs/dbraw/zinc/89/69/88/567896988.db2.gz PZDUWXKXFAIFOR-UHFFFAOYSA-N 0 0 296.495 6.197 40 30 CKEBRN C/C=C/CCCCCCCCCCCCCCCC ZINC000060107609 567896936 /nfs/dbraw/zinc/89/69/36/567896936.db2.gz HANVOGLDKHFHBY-HWKANZROSA-N 0 0 266.513 7.434 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000060118314 567896905 /nfs/dbraw/zinc/89/69/05/567896905.db2.gz XRKBQVGBWJWJJJ-KRWDZBQOSA-N 0 0 299.499 5.270 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000060118318 567896883 /nfs/dbraw/zinc/89/68/83/567896883.db2.gz XRKBQVGBWJWJJJ-QGZVFWFLSA-N 0 0 299.499 5.270 40 30 CKEBRN CCCCCCCC/C=C\CCCCCCCC ZINC000064624309 567898097 /nfs/dbraw/zinc/89/80/97/567898097.db2.gz HSNQNPCNYIJJHT-ZCXUNETKSA-N 0 0 252.486 7.044 40 30 in-vitro CKEBRN CCCCCC/C=C/C=C\CCCCCCCC ZINC000064858449 567898280 /nfs/dbraw/zinc/89/82/80/567898280.db2.gz GJJXGJLRVYJXHL-CELSGOLJSA-N 0 0 250.470 6.820 40 30 in-vitro CKEBRN CCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000067912359 520017982 /nfs/dbraw/zinc/01/79/82/520017982.db2.gz SXRLJXDYAKBNRZ-UHFFFAOYSA-N 0 0 264.409 5.171 40 30 biogenic,in-vitro CKEBRN Cc1ccc(N=NC(C#N)=NNc2ccc(C)cc2)cc1 ZINC000071255643 176095529 /nfs/dbraw/zinc/09/55/29/176095529.db2.gz LWDHYOVYHZCOHG-FRCMOREXSA-N 0 0 277.331 5.021 40 30 CKEBRN CC(c1ccc(N=[N+]=[N-])cc1)c1ccc(N=[N+]=[N-])cc1 ZINC000071404919 176155175 /nfs/dbraw/zinc/15/51/75/176155175.db2.gz OFDYKPAMVJMLCJ-UHFFFAOYSA-N 0 0 264.292 5.722 40 30 CKEBRN Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000071976912 176306836 /nfs/dbraw/zinc/30/68/36/176306836.db2.gz OIHSHWJTTFKONB-RMKNXTFCSA-N 0 0 291.177 5.198 40 30 CKEBRN O=C(/C=C/c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000071976915 176306889 /nfs/dbraw/zinc/30/68/89/176306889.db2.gz FSGCBECJQXTPHJ-VMPITWQZSA-N 0 0 295.140 5.029 40 30 CKEBRN Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000071976929 176306966 /nfs/dbraw/zinc/30/69/66/176306966.db2.gz ZFQQHGBUYYXGCO-FNORWQNLSA-N 0 0 297.206 5.259 40 30 CKEBRN Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000071976949 176306904 /nfs/dbraw/zinc/30/69/04/176306904.db2.gz VCEUERRLXFWMQM-RMKNXTFCSA-N 0 0 291.177 5.198 40 30 CKEBRN Cc1ccsc1/C=C/C(=O)c1cc(Cl)ccc1Cl ZINC000071976956 176306992 /nfs/dbraw/zinc/30/69/92/176306992.db2.gz LHIPAOUSCMJCCX-SNAWJCMRSA-N 0 0 297.206 5.259 40 30 CKEBRN Cc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000071976963 176306926 /nfs/dbraw/zinc/30/69/26/176306926.db2.gz JGSUOFDKPFAVTO-VMPITWQZSA-N 0 0 291.177 5.198 40 30 CKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 ZINC000071977000 176306964 /nfs/dbraw/zinc/30/69/64/176306964.db2.gz YSGKDEAIGQDRIX-FMIVXFBMSA-N 0 0 298.813 5.534 40 30 CKEBRN CC(C)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 ZINC000071977009 176306796 /nfs/dbraw/zinc/30/67/96/176306796.db2.gz HUHITTYBVQKOQC-DHZHZOJOSA-N 0 0 284.786 5.360 40 30 CKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000071977017 176306970 /nfs/dbraw/zinc/30/69/70/176306970.db2.gz BSXPOPCYXGORCX-BQYQJAHWSA-N 0 0 295.140 5.029 40 30 CKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1ccccc1Cl ZINC000071977051 176306762 /nfs/dbraw/zinc/30/67/62/176306762.db2.gz CVODTUMVCDRMBP-CMDGGOBGSA-N 0 0 295.140 5.029 40 30 CKEBRN O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000071977063 176306751 /nfs/dbraw/zinc/30/67/51/176306751.db2.gz ZLQKJBORJBIHGQ-FPYGCLRLSA-N 0 0 295.140 5.029 40 30 CKEBRN O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000071977073 176306818 /nfs/dbraw/zinc/30/68/18/176306818.db2.gz GUHOZYXIKBXSGN-QPJJXVBHSA-N 0 0 295.140 5.029 40 30 CKEBRN Cc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071977074 176307043 /nfs/dbraw/zinc/30/70/43/176307043.db2.gz GVTRXCOXVCZWSA-VQHVLOKHSA-N 0 0 291.177 5.198 40 30 CKEBRN Cc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000071977079 176306802 /nfs/dbraw/zinc/30/68/02/176306802.db2.gz SXOFOLYCCPWDNG-VMPITWQZSA-N 0 0 291.177 5.198 40 30 CKEBRN Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000071977087 176307048 /nfs/dbraw/zinc/30/70/48/176307048.db2.gz QJGXAQCRLAOYPE-FNORWQNLSA-N 0 0 297.206 5.259 40 30 CKEBRN Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000071977100 176306749 /nfs/dbraw/zinc/30/67/49/176306749.db2.gz ARNBKEVNSPNSNL-UKTHLTGXSA-N 0 0 292.422 5.497 40 30 CKEBRN Cc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)c(C)c1 ZINC000071977109 176306899 /nfs/dbraw/zinc/30/68/99/176306899.db2.gz IGSSTQDUZWFVHO-XYOKQWHBSA-N 0 0 278.395 5.323 40 30 CKEBRN Cc1ccccc1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000071977131 176306755 /nfs/dbraw/zinc/30/67/55/176306755.db2.gz MXOXLDOVAJACCN-SDNWHVSQSA-N 0 0 278.395 5.189 40 30 CKEBRN Cc1ccccc1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000071977138 176306760 /nfs/dbraw/zinc/30/67/60/176306760.db2.gz ZQMBGULEKQTVAL-JLHYYAGUSA-N 0 0 264.368 5.015 40 30 CKEBRN Cc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000071977173 176306775 /nfs/dbraw/zinc/30/67/75/176306775.db2.gz GBMKRSZNWCLFGR-JLHYYAGUSA-N 0 0 278.395 5.189 40 30 CKEBRN Cc1cccc(C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000071977178 176306763 /nfs/dbraw/zinc/30/67/63/176306763.db2.gz FWEZKXNOLYWHGU-FMIVXFBMSA-N 0 0 264.368 5.015 40 30 CKEBRN CCCCCCCCCCCCc1ccc(CS)cc1 ZINC000078846892 567906155 /nfs/dbraw/zinc/90/61/55/567906155.db2.gz MGHOMBZRLVDFEY-UHFFFAOYSA-N 0 0 292.532 6.580 40 30 CKEBRN CCCCCCCCCCCCOC(=O)CC(C)C ZINC000079553977 567885017 /nfs/dbraw/zinc/88/50/17/567885017.db2.gz DEHIFZZMFPRYNH-UHFFFAOYSA-N 0 0 270.457 5.497 40 30 CKEBRN CCCCCCCCCCCCOCc1ccccc1 ZINC000079754240 567906374 /nfs/dbraw/zinc/90/63/74/567906374.db2.gz UZQPWASKVYDSRV-UHFFFAOYSA-N 0 0 276.464 6.124 40 30 CKEBRN CCCCCCCCN(C=O)CCCCCCCC ZINC000080589913 570273768 /nfs/dbraw/zinc/27/37/68/570273768.db2.gz NNLFVDJUSPWFRP-UHFFFAOYSA-N 0 0 269.473 5.166 40 30 CKEBRN CCCCCCCCCCCCCCCCCCC(C)C ZINC000082042139 567906962 /nfs/dbraw/zinc/90/69/62/567906962.db2.gz MLKZKPUBHSWMNA-UHFFFAOYSA-N 0 0 296.583 8.294 40 30 in-vitro CKEBRN CCCCCCCC/C=C\CCCCCCCCCCO ZINC000085431679 179060507 /nfs/dbraw/zinc/06/05/07/179060507.db2.gz QYOZAXQSDUAPDS-KTKRTIGZSA-N 0 0 296.539 6.796 40 30 in-vitro CKEBRN CCCCCCCCCCCC[C@H]1CCC(=O)O1 ZINC000085508720 520013545 /nfs/dbraw/zinc/01/35/45/520013545.db2.gz SRIFJCOBFTWCTM-HNNXBMFYSA-N 0 0 254.414 5.003 40 30 endogenous,in-man CKEBRN CCCCCCCCCC(O)CCCCCCCCC ZINC000085531020 179091588 /nfs/dbraw/zinc/09/15/88/179091588.db2.gz ACMBVSPXQQUNOF-UHFFFAOYSA-N 0 0 284.528 6.629 40 30 biogenic,in-vitro CKEBRN CCCCCCCC(=O)OC/C=C(/C)CCC=C(C)C ZINC000085645784 179109915 /nfs/dbraw/zinc/10/99/15/179109915.db2.gz YYBMOGCOPQVSLQ-VKAVYKQESA-N 0 0 280.452 5.583 40 30 CKEBRN CCCCCCCCCCCC(=O)Nc1ccccc1 ZINC000085659466 567893564 /nfs/dbraw/zinc/89/35/64/567893564.db2.gz YGKDYOGEVVXBKW-UHFFFAOYSA-N 0 0 275.436 5.546 40 30 CKEBRN CCCCCCCCCCCC[C@@H]1CCC(=O)O1 ZINC000085659636 567907203 /nfs/dbraw/zinc/90/72/03/567907203.db2.gz SRIFJCOBFTWCTM-OAHLLOKOSA-N 0 0 254.414 5.003 40 30 endogenous,in-man CKEBRN CCCCCCCCCCCCCCCC(OC)OC ZINC000085836389 179183601 /nfs/dbraw/zinc/18/36/01/179183601.db2.gz LACZJJJYINHZIR-UHFFFAOYSA-N 0 0 286.500 6.087 40 30 CKEBRN CCCCCC/C=C/CCCCCCCC(=O)OCC ZINC000085836541 179183603 /nfs/dbraw/zinc/18/36/03/179183603.db2.gz JELGPLUONQGOHF-MDZDMXLPSA-N 0 0 282.468 5.807 40 30 in-man,metabolite CKEBRN CCCCCCCCCCCC(=O)O[C@@H](C)CC ZINC000085878713 179195893 /nfs/dbraw/zinc/19/58/93/179195893.db2.gz VQEUONXRKIUTJT-HNNXBMFYSA-N 0 0 256.430 5.249 40 30 CKEBRN CCCCCCCCCCCC(=O)O[C@H](C)CC ZINC000085878721 179196323 /nfs/dbraw/zinc/19/63/23/179196323.db2.gz VQEUONXRKIUTJT-OAHLLOKOSA-N 0 0 256.430 5.249 40 30 CKEBRN C=C(CCC=C(C)C)[C@@H]1CC=C(CCC=C(C)C)CC1 ZINC000085881267 179196102 /nfs/dbraw/zinc/19/61/02/179196102.db2.gz GJYJYFHBOBUTBY-HXUWFJFHSA-N 0 0 272.476 6.762 40 30 endogenous,in-man CKEBRN CCCCCCCCCCC[C@@H]1CCCC(=O)O1 ZINC000085925492 520017515 /nfs/dbraw/zinc/01/75/15/520017515.db2.gz ZMJKQSSFLIFELJ-OAHLLOKOSA-N 0 0 254.414 5.003 40 30 CKEBRN CCCCCCCCCCC[C@H]1CCCC(=O)O1 ZINC000085925495 520018545 /nfs/dbraw/zinc/01/85/45/520018545.db2.gz ZMJKQSSFLIFELJ-HNNXBMFYSA-N 0 0 254.414 5.003 40 30 CKEBRN CCCCCCCCCCCCCCC/C=C/C(=O)OC ZINC000086020505 179217898 /nfs/dbraw/zinc/21/78/98/179217898.db2.gz CYUVJOWXJUNPHY-ISLYRVAYSA-N 0 0 296.495 6.197 40 30 CKEBRN CCCCCCCCCCC/C=C\CCCCC(=O)OC ZINC000086020533 179217741 /nfs/dbraw/zinc/21/77/41/179217741.db2.gz QRTVDKVXAFJVRU-YPKPFQOOSA-N 0 0 296.495 6.197 40 30 CKEBRN CCCCCCCCC1=C(CCCCCCC(=O)OC)C1 ZINC000086025174 179219452 /nfs/dbraw/zinc/21/94/52/179219452.db2.gz GYLXZHKHPYLEIF-UHFFFAOYSA-N 0 0 294.479 5.951 40 30 CKEBRN CCCCCCCCCCCCCCCCCCOC=O ZINC000086050968 179223952 /nfs/dbraw/zinc/22/39/52/179223952.db2.gz NOPZJEGEHWRZSE-UHFFFAOYSA-N 0 0 298.511 6.421 40 30 CKEBRN CCCCCCCCCCCCCCCCCCOCC ZINC000086050975 179223596 /nfs/dbraw/zinc/22/35/96/179223596.db2.gz DGLWHXRTXWIDEE-UHFFFAOYSA-N 0 0 298.555 7.284 40 30 CKEBRN CCCCCCCCCCCCCCCC(C)C ZINC000086051428 179223886 /nfs/dbraw/zinc/22/38/86/179223886.db2.gz RJWUMFHQJJBBOD-UHFFFAOYSA-N 0 0 254.502 7.124 40 30 CKEBRN CCCCCCCCCC/C=C/CCCCC(C)C ZINC000086051832 179223927 /nfs/dbraw/zinc/22/39/27/179223927.db2.gz XDBKLFODBADBED-BUHFOSPRSA-N 0 0 266.513 7.290 40 30 CKEBRN C=C(C)C(=O)OCCCCCCCCCCCCC ZINC000086052003 179223845 /nfs/dbraw/zinc/22/38/45/179223845.db2.gz KEROTHRUZYBWCY-UHFFFAOYSA-N 0 0 268.441 5.417 40 30 CKEBRN C=C(C)C(=O)OCCCCCCCCCCCCCC ZINC000086052004 179223871 /nfs/dbraw/zinc/22/38/71/179223871.db2.gz ATZHWSYYKQKSSY-UHFFFAOYSA-N 0 0 282.468 5.807 40 30 CKEBRN CCCCCCCCCCCCOC(=O)CCC ZINC000095618205 185016593 /nfs/dbraw/zinc/01/65/93/185016593.db2.gz JEPXJYKYHMEESP-UHFFFAOYSA-N 0 0 256.430 5.251 40 30 endogenous,in-man CKEBRN CCCCCCCCCCCC[N+]1([O-])CCCCC1 ZINC000095695134 260556498 /nfs/dbraw/zinc/55/64/98/260556498.db2.gz ZELXQOMIZMDPHB-UHFFFAOYSA-N 0 0 269.473 5.406 40 30 CKEBRN CCCCCCCCCCCCC#CC#CCCCCO ZINC000095698146 185018442 /nfs/dbraw/zinc/01/84/42/185018442.db2.gz UIMRCKQWEYSALX-UHFFFAOYSA-N 0 0 290.491 5.467 40 30 CKEBRN CCCCCCCCCCCCCCCc1nc(C)c[nH]1 ZINC000095777098 327203171 /nfs/dbraw/zinc/20/31/71/327203171.db2.gz DSBVJJNBNAAFBD-UHFFFAOYSA-N 0 0 292.511 6.352 40 30 CKEBRN CC/C(=N/O)c1ccc2c(cc(Cl)c3ccccc32)c1 ZINC000095851162 185029607 /nfs/dbraw/zinc/02/96/07/185029607.db2.gz ZPICMZXTKCKZNV-ZPHPHTNESA-N 0 0 283.758 5.235 40 30 CKEBRN CCC#Cc1c2ccccc2c2ccccc2c1CC ZINC000095887576 566877873 /nfs/dbraw/zinc/87/78/73/566877873.db2.gz OLPRADHJTIMKOD-UHFFFAOYSA-N 0 0 258.364 5.317 40 30 CKEBRN C=CCCCCCCCCCCCCCCCCC=C ZINC000095889669 566982309 /nfs/dbraw/zinc/98/23/09/566982309.db2.gz AWJFCAXSGQLCKK-UHFFFAOYSA-N 0 0 278.524 7.600 40 30 CKEBRN CCCCCCCCCC/C=C/c1ccc2c(c1)OCO2 ZINC000095914422 567136689 /nfs/dbraw/zinc/13/66/89/567136689.db2.gz CXFWEZQTIXOIEV-VAWYXSNFSA-N 0 0 288.431 5.959 40 30 biogenic,in-vitro CKEBRN Cc1cc(Cl)ccc1/N=C\c1c(O)ccc2ccccc12 ZINC000095920281 185031641 /nfs/dbraw/zinc/03/16/41/185031641.db2.gz NFAGAAJKIGOLTI-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN CCCCCCCCCCOc1ccc(/C(C)=N/O)cc1 ZINC000096022793 567931547 /nfs/dbraw/zinc/93/15/47/567931547.db2.gz RPRQEVNYLBYVRS-KNTRCKAVSA-N 0 0 291.435 5.404 40 30 CKEBRN CCCCCCCCCCCC(=O)OC/C=C/Cl ZINC000097943448 528123317 /nfs/dbraw/zinc/12/33/17/528123317.db2.gz YUEYUHPIRQCQLL-ACCUITESSA-N 0 0 274.832 5.203 40 30 CKEBRN C=CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000098090992 185686910 /nfs/dbraw/zinc/68/69/10/185686910.db2.gz AUICGMJCNRKTII-UHFFFAOYSA-N 0 0 270.375 5.207 40 30 CKEBRN CCCCCCCCCCCCCCCCCC[C@@H]1CO1 ZINC000100011514 567911869 /nfs/dbraw/zinc/91/18/69/567911869.db2.gz BHZBVWCLMYQFQX-HXUWFJFHSA-N 0 0 296.539 7.037 40 30 CKEBRN CCCCCCCCCCCCCCCCCC[C@H]1CO1 ZINC000100011516 567911955 /nfs/dbraw/zinc/91/19/55/567911955.db2.gz BHZBVWCLMYQFQX-FQEVSTJZSA-N 0 0 296.539 7.037 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@@H](O)CO ZINC000100018658 567911844 /nfs/dbraw/zinc/91/18/44/567911844.db2.gz XWAMHGPDZOVVND-GOSISDBHSA-N 0 0 286.500 5.211 40 30 in-vitro CKEBRN COc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000100018782 567911933 /nfs/dbraw/zinc/91/19/33/567911933.db2.gz AFAJHWLHSQIELD-HMAPJEAMSA-N 0 0 299.373 5.017 40 30 CKEBRN Cc1ccc(C(=O)C=CNc2cccc(Cl)c2C)cc1 ZINC000100035571 570257127 /nfs/dbraw/zinc/25/71/27/570257127.db2.gz PIUYHDPWVDYLSW-ALAONZSNSA-N 0 0 285.774 5.258 40 30 CKEBRN C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1 ZINC000100035796 185702378 /nfs/dbraw/zinc/70/23/78/185702378.db2.gz ALEUVXQGVOQDBD-FNCFJJJESA-N 0 0 262.481 6.366 40 30 CKEBRN C(=N/c1ccc(/N=C/c2cccs2)cc1)\c1cccs1 ZINC000100040040 185702966 /nfs/dbraw/zinc/70/29/66/185702966.db2.gz CVNPKIOJKWDPBA-JYFOCSDGSA-N 0 0 296.420 5.311 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@H](O)CO ZINC000100044162 566962933 /nfs/dbraw/zinc/96/29/33/566962933.db2.gz XWAMHGPDZOVVND-SFHVURJKSA-N 0 0 286.500 5.211 40 30 in-vitro CKEBRN CCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000100048734 567217753 /nfs/dbraw/zinc/21/77/53/567217753.db2.gz HPUAIVNIHNEYPO-OAHLLOKOSA-N 0 0 256.430 5.107 40 30 CKEBRN CCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000100048736 185703386 /nfs/dbraw/zinc/70/33/86/185703386.db2.gz HPUAIVNIHNEYPO-HNNXBMFYSA-N 0 0 256.430 5.107 40 30 CKEBRN CCCCCCCCCCCCCOC(=O)CCS ZINC000100050671 570257959 /nfs/dbraw/zinc/25/79/59/570257959.db2.gz MJNLAPRQQJZBQN-UHFFFAOYSA-N 0 0 288.497 5.161 40 30 CKEBRN CCCCCCCc1cccc2oc(-c3ccccc3)cc21 ZINC000100051134 185703253 /nfs/dbraw/zinc/70/32/53/185703253.db2.gz QWKWVDGYNKZUKP-UHFFFAOYSA-N 0 0 292.422 6.613 40 30 CKEBRN CCCCCCCCCCCCCCCCSCC ZINC000100064870 570258188 /nfs/dbraw/zinc/25/81/88/570258188.db2.gz GFMXRWVXIPEWQJ-UHFFFAOYSA-N 0 0 286.569 7.221 40 30 CKEBRN CCCCCCCCCCCCCCC[C@@H](C)O ZINC000100066522 570258424 /nfs/dbraw/zinc/25/84/24/570258424.db2.gz ZNYQHFLBAPNPRC-QGZVFWFLSA-N 0 0 256.474 5.849 40 30 CKEBRN CCCCCCCCCCCCCCC[C@H](C)O ZINC000100066526 185704756 /nfs/dbraw/zinc/70/47/56/185704756.db2.gz ZNYQHFLBAPNPRC-KRWDZBQOSA-N 0 0 256.474 5.849 40 30 CKEBRN CCCCCCCCCCCC(=O)CCCCCC ZINC000100069535 567912117 /nfs/dbraw/zinc/91/21/17/567912117.db2.gz HHQOJAVJSCPMAC-UHFFFAOYSA-N 0 0 268.485 6.447 40 30 CKEBRN CCCCCCCCCCc1ccc(C(=O)CC)cc1 ZINC000100069911 567912167 /nfs/dbraw/zinc/91/21/67/567912167.db2.gz RDFGJRYRWZBPAY-UHFFFAOYSA-N 0 0 274.448 5.963 40 30 CKEBRN CCCCCCCCCCCC(=O)c1ccc(C)cc1 ZINC000100070161 567912161 /nfs/dbraw/zinc/91/21/61/567912161.db2.gz LDOWFDQKDRZLSJ-UHFFFAOYSA-N 0 0 274.448 6.099 40 30 CKEBRN CCCCCCCCn1c2ccsc2c2sccc21 ZINC000100070985 567217161 /nfs/dbraw/zinc/21/71/61/567217161.db2.gz GGCJLBJHTUIOES-UHFFFAOYSA-N 0 0 291.485 6.278 40 30 CKEBRN CCCCCCCCCC(=O)c1ccc(OC)cc1 ZINC000100076992 567912077 /nfs/dbraw/zinc/91/20/77/567912077.db2.gz LAVLQQKHORTNFF-UHFFFAOYSA-N 0 0 262.393 5.019 40 30 CKEBRN CCCCCCCCCCCCCCCCC(C)C ZINC000100104885 185705050 /nfs/dbraw/zinc/70/50/50/185705050.db2.gz KVQVGSDBGJXNGV-UHFFFAOYSA-N 0 0 268.529 7.514 40 30 CKEBRN Cc1ccc(/N=C\c2c(O)ccc3ccccc23)cc1Cl ZINC000100105833 567912329 /nfs/dbraw/zinc/91/23/29/567912329.db2.gz LYHMECVACVGLBT-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN CCCCCCCCCCCCCCc1ccc(O)cc1 ZINC000100118533 570299180 /nfs/dbraw/zinc/29/91/80/570299180.db2.gz PBFGGYXTTPKAHK-UHFFFAOYSA-N 0 0 290.491 6.636 40 30 CKEBRN CCCCCCCCCCCCCCCCCC=O ZINC000100120104 185706370 /nfs/dbraw/zinc/70/63/70/185706370.db2.gz JEGNXMUWVCVSSQ-ISLYRVAYSA-N 0 0 268.485 6.930 40 30 CKEBRN CCCCCCCCCCCCCCCC(=O)OCCC ZINC000100122954 185706009 /nfs/dbraw/zinc/70/60/09/185706009.db2.gz BEKZXQKGTDVSKX-UHFFFAOYSA-N 0 0 298.511 6.421 40 30 CKEBRN CCCCCCCCCC(=O)OCCCCCCCC ZINC000100127310 567912275 /nfs/dbraw/zinc/91/22/75/567912275.db2.gz HRPZGPXWSVHWPB-UHFFFAOYSA-N 0 0 284.484 6.031 40 30 CKEBRN CCCCCCCCCCC/C(=N/O)c1ccccc1 ZINC000100166638 570262331 /nfs/dbraw/zinc/26/23/31/570262331.db2.gz XEZBCLIXGWYGFX-HNENSFHCSA-N 0 0 275.436 5.786 40 30 CKEBRN CCCCCC/C=C/CCCCCCCCC(=O)OC ZINC000100173960 567912407 /nfs/dbraw/zinc/91/24/07/567912407.db2.gz JNSUZRHLHDQGPN-CMDGGOBGSA-N 0 0 282.468 5.807 40 30 CKEBRN C(=N\c1ccc(Nc2ccccc2)cc1)\c1ccccc1 ZINC000100208292 567912377 /nfs/dbraw/zinc/91/23/77/567912377.db2.gz YCUPSYRIOCNWFW-HKWRFOASSA-N 0 0 272.351 5.181 40 30 CKEBRN C(=N/c1ccc(/N=C\c2cccs2)cc1)\c1cccs1 ZINC000100212156 567912360 /nfs/dbraw/zinc/91/23/60/567912360.db2.gz CVNPKIOJKWDPBA-MJZABRMRSA-N 0 0 296.420 5.311 40 30 CKEBRN CC(C)CCC[C@@H](C)CC1=C(O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100238394 567926423 /nfs/dbraw/zinc/92/64/23/567926423.db2.gz XJNQZMDASJMLKT-KFWWJZLASA-N 0 0 278.436 5.040 40 30 CKEBRN CC(C)CCC[C@H](C)CC1=C(O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100238397 567926400 /nfs/dbraw/zinc/92/64/00/567926400.db2.gz XJNQZMDASJMLKT-ZNMIVQPWSA-N 0 0 278.436 5.040 40 30 CKEBRN CCCCCCCCCC1=C(O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100238474 567926555 /nfs/dbraw/zinc/92/65/55/567926555.db2.gz WBXOMRRYQRUZHJ-CABCVRRESA-N 0 0 278.436 5.328 40 30 CKEBRN Cc1ccc(Cl)c(/N=C/c2c(O)ccc3ccccc23)c1 ZINC000100248263 230391667 /nfs/dbraw/zinc/39/16/67/230391667.db2.gz AYQYWGWPBAJTQE-RGVLZGJSSA-N 0 0 295.769 5.258 40 30 CKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(F)c(Cl)c1 ZINC000100248268 230391673 /nfs/dbraw/zinc/39/16/73/230391673.db2.gz LQTFTYRUIIQDBU-JMIUGGIZSA-N 0 0 299.732 5.089 40 30 CKEBRN CCc1cccc(C)c1/N=C\c1c(O)ccc2ccccc21 ZINC000100248293 529733715 /nfs/dbraw/zinc/73/37/15/529733715.db2.gz XJVCLOOVJXOQEB-BKUYFWCQSA-N 0 0 289.378 5.167 40 30 CKEBRN Cc1ccc(Cl)cc1/N=C\c1ccc2ccccc2c1O ZINC000100248476 230391638 /nfs/dbraw/zinc/39/16/38/230391638.db2.gz XPRDZGRLCKHXQD-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN Cc1ccc(Cl)c(/N=C\c2ccc3ccccc3c2O)c1 ZINC000100248484 230391609 /nfs/dbraw/zinc/39/16/09/230391609.db2.gz SBCUUNCHSSEFHR-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN Oc1c(/C=N\c2ccc(F)c(Cl)c2)ccc2ccccc12 ZINC000100248502 230391626 /nfs/dbraw/zinc/39/16/26/230391626.db2.gz OOXYMJXESMOHRJ-JMIUGGIZSA-N 0 0 299.732 5.089 40 30 CKEBRN CCc1cccc(C)c1/N=C\c1ccc2ccccc2c1O ZINC000100248528 529733690 /nfs/dbraw/zinc/73/36/90/529733690.db2.gz RQEQUWFFBJUOAI-BKUYFWCQSA-N 0 0 289.378 5.167 40 30 CKEBRN CC(C)c1ccccc1/N=C/c1ccc2ccccc2c1O ZINC000100248547 528189422 /nfs/dbraw/zinc/18/94/22/528189422.db2.gz CGGWQFXLKJNIDX-FYJGNVAPSA-N 0 0 289.378 5.419 40 30 CKEBRN Cc1c(Cl)cccc1/N=C\c1ccc2ccccc2c1O ZINC000100248625 533876080 /nfs/dbraw/zinc/87/60/80/533876080.db2.gz URKWANFNACLGJH-JAIQZWGSSA-N 0 0 295.769 5.258 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C1/C=CCc2ccccc21 ZINC000100249794 534008032 /nfs/dbraw/zinc/00/80/32/534008032.db2.gz LFMOQPQBDLZSCZ-UZYVYHOESA-N 0 0 291.394 5.057 40 30 CKEBRN C[C@@H]1CC/C(=C\c2ccccc2)C(=O)/C1=C/c1ccccc1 ZINC000100250512 534153446 /nfs/dbraw/zinc/15/34/46/534153446.db2.gz CLIGIHASZVYIMB-VQFXSPQOSA-N 0 0 288.390 5.153 40 30 CKEBRN C[C@@H]1CC/C(=C/c2ccccc2)C(=O)/C1=C/c1ccccc1 ZINC000100250514 534151895 /nfs/dbraw/zinc/15/18/95/534151895.db2.gz CLIGIHASZVYIMB-BGVDWQIYSA-N 0 0 288.390 5.153 40 30 CKEBRN CCCCCCCCCCCCC(=O)Nc1ccccc1 ZINC000100286095 567912609 /nfs/dbraw/zinc/91/26/09/567912609.db2.gz AIJKPNAKUMGGMZ-UHFFFAOYSA-N 0 0 289.463 5.936 40 30 CKEBRN CCCCCCC[C@@H](CCCCC)C(=O)OCC ZINC000100295506 185711568 /nfs/dbraw/zinc/71/15/68/185711568.db2.gz QPMKKOWLFUFCBR-OAHLLOKOSA-N 0 0 256.430 5.107 40 30 CKEBRN CCCCCCC[C@H](CCCCC)C(=O)OCC ZINC000100295509 567912752 /nfs/dbraw/zinc/91/27/52/567912752.db2.gz QPMKKOWLFUFCBR-HNNXBMFYSA-N 0 0 256.430 5.107 40 30 CKEBRN CCCCCCCCc1c(Cl)nc(Cl)nc1Cl ZINC000100299342 185711685 /nfs/dbraw/zinc/71/16/85/185711685.db2.gz NLLAUDBADWNBAE-UHFFFAOYSA-N 0 0 295.641 5.340 40 30 CKEBRN CCCCCCCC[C@H]1O[C@H]1CCCCCCCCO ZINC000100300009 567912665 /nfs/dbraw/zinc/91/26/65/567912665.db2.gz FAEAERQPRQJZOC-MSOLQXFVSA-N 0 0 284.484 5.227 40 30 CKEBRN CCCCCCCC[C@@H]1O[C@H]1CCCCCCCCO ZINC000100300010 520047285 /nfs/dbraw/zinc/04/72/85/520047285.db2.gz FAEAERQPRQJZOC-ROUUACIJSA-N 0 0 284.484 5.227 40 30 CKEBRN CCCCCCCC[C@H]1O[C@@H]1CCCCCCCCO ZINC000100300012 567912706 /nfs/dbraw/zinc/91/27/06/567912706.db2.gz FAEAERQPRQJZOC-QZTJIDSGSA-N 0 0 284.484 5.227 40 30 CKEBRN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO ZINC000100300016 567912631 /nfs/dbraw/zinc/91/26/31/567912631.db2.gz FAEAERQPRQJZOC-ZWKOTPCHSA-N 0 0 284.484 5.227 40 30 CKEBRN CCCCCCCCC1OCC(CC)(CCCC)CO1 ZINC000100300022 185711469 /nfs/dbraw/zinc/71/14/69/185711469.db2.gz LJMUZBYRGSNUOQ-UHFFFAOYSA-N 0 0 284.484 5.697 40 30 CKEBRN CCCCCCCCCC(=O)OCCCC[C@@H]1CCCO1 ZINC000100300484 570266706 /nfs/dbraw/zinc/26/67/06/570266706.db2.gz CAETXHDMWBEGGO-QGZVFWFLSA-N 0 0 298.467 5.020 40 30 CKEBRN CCCCCCCCCC(=O)OCCCC[C@H]1CCCO1 ZINC000100300485 570266828 /nfs/dbraw/zinc/26/68/28/570266828.db2.gz CAETXHDMWBEGGO-KRWDZBQOSA-N 0 0 298.467 5.020 40 30 CKEBRN CCCCCCCCC[C@H](CO)CCCCCCC ZINC000100300713 567912750 /nfs/dbraw/zinc/91/27/50/567912750.db2.gz YEGNTQBFSQBGJT-GOSISDBHSA-N 0 0 270.501 6.096 40 30 CKEBRN CCCCCCCCC[C@@H](CO)CCCCCCC ZINC000100300716 567912714 /nfs/dbraw/zinc/91/27/14/567912714.db2.gz YEGNTQBFSQBGJT-SFHVURJKSA-N 0 0 270.501 6.096 40 30 CKEBRN CCCCCCCCC[C@@H]1O[C@H](C)CC(C)(C)O1 ZINC000100301418 185710936 /nfs/dbraw/zinc/71/09/36/185710936.db2.gz QYDJHALLCQLSOO-HUUCEWRRSA-N 0 0 256.430 5.057 40 30 CKEBRN CCCCCCCCC[C@@H]1O[C@@H](C)CC(C)(C)O1 ZINC000100301419 567912747 /nfs/dbraw/zinc/91/27/47/567912747.db2.gz QYDJHALLCQLSOO-LSDHHAIUSA-N 0 0 256.430 5.057 40 30 CKEBRN CCCCCCCCC[C@@H]1OCC(C)(C)[C@@H](C(C)C)O1 ZINC000100301421 567912636 /nfs/dbraw/zinc/91/26/36/567912636.db2.gz FCAVVOPVRVMADY-IAGOWNOFSA-N 0 0 284.484 5.551 40 30 CKEBRN CCCCCCCCC[C@@H]1OC[C@H](CC)[C@H](CCC)O1 ZINC000100301423 567912876 /nfs/dbraw/zinc/91/28/76/567912876.db2.gz VCCMLUUBOOTDDC-OKZBNKHCSA-N 0 0 284.484 5.695 40 30 CKEBRN CCCCCCCCC[C@H]1OC[C@H](CC)[C@H](CCC)O1 ZINC000100301424 567912856 /nfs/dbraw/zinc/91/28/56/567912856.db2.gz VCCMLUUBOOTDDC-BZSNNMDCSA-N 0 0 284.484 5.695 40 30 CKEBRN CCCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1 ZINC000100301425 567912851 /nfs/dbraw/zinc/91/28/51/567912851.db2.gz VCCMLUUBOOTDDC-FGTMMUONSA-N 0 0 284.484 5.695 40 30 CKEBRN CCCCCCCCC[C@H]1OC[C@@H](CC)[C@H](CCC)O1 ZINC000100301426 567912895 /nfs/dbraw/zinc/91/28/95/567912895.db2.gz VCCMLUUBOOTDDC-SQNIBIBYSA-N 0 0 284.484 5.695 40 30 CKEBRN CCCCCCCCCC1OCC(CC)(CCCC)CO1 ZINC000100301433 185710910 /nfs/dbraw/zinc/71/09/10/185710910.db2.gz IFFVVKIDRYJZCI-UHFFFAOYSA-N 0 0 298.511 6.087 40 30 CKEBRN CCCCCCCCCCC/C=C/CCCCCO ZINC000100302015 567912806 /nfs/dbraw/zinc/91/28/06/567912806.db2.gz TVPWKOCQOFBNML-OUKQBFOZSA-N 0 0 268.485 6.016 40 30 CKEBRN CCCCCCCCCCC1O[C@H](C)C[C@@H](C)O1 ZINC000100302310 567912893 /nfs/dbraw/zinc/91/28/93/567912893.db2.gz TXANYHCPKPNEDA-HUUCEWRRSA-N 0 0 256.430 5.057 40 30 CKEBRN CCCCCCCCCCCC(=O)N1CCCCCC1 ZINC000100302434 567935797 /nfs/dbraw/zinc/93/57/97/567935797.db2.gz MXDYUONTWJFUOK-UHFFFAOYSA-N 0 0 281.484 5.310 40 30 CKEBRN CCCCCCCCCCCC(=O)OC1CCCC1 ZINC000100302605 570266753 /nfs/dbraw/zinc/26/67/53/570266753.db2.gz ADSIAMGUWUBMDP-UHFFFAOYSA-N 0 0 268.441 5.393 40 30 CKEBRN CCCCCCCCCCCC(=O)OC1CCCCC1 ZINC000100302608 519983779 /nfs/dbraw/zinc/98/37/79/519983779.db2.gz PJPLDEHITPGDLR-UHFFFAOYSA-N 0 0 282.468 5.783 40 30 CKEBRN CCCCCCCCCCC[C@H](O)CCCCC ZINC000100302811 185711197 /nfs/dbraw/zinc/71/11/97/185711197.db2.gz AGITVGTVVWLRGX-QGZVFWFLSA-N 0 0 256.474 5.849 40 30 CKEBRN CCCCCCCCCCC[C@@H](O)CCCCC ZINC000100302812 567912764 /nfs/dbraw/zinc/91/27/64/567912764.db2.gz AGITVGTVVWLRGX-KRWDZBQOSA-N 0 0 256.474 5.849 40 30 CKEBRN CCCCCCCCCCCC[C@@H]1CCC[C@H](C)C1 ZINC000100304135 520013637 /nfs/dbraw/zinc/01/36/37/520013637.db2.gz IBPYRQACWYCFPT-RBUKOAKNSA-N 0 0 266.513 7.124 40 30 CKEBRN CCCCCCCCCCCC[C@H]1CCC[C@H](C)C1 ZINC000100304137 570266721 /nfs/dbraw/zinc/26/67/21/570266721.db2.gz IBPYRQACWYCFPT-OALUTQOASA-N 0 0 266.513 7.124 40 30 CKEBRN CCCCCCCCCCCC[C@@H]1CCC[C@@H](C)C1 ZINC000100304140 570266805 /nfs/dbraw/zinc/26/68/05/570266805.db2.gz IBPYRQACWYCFPT-RTBURBONSA-N 0 0 266.513 7.124 40 30 CKEBRN CCCCCCCCCCCC[C@H]1CCC[C@@H](C)C1 ZINC000100304141 520014399 /nfs/dbraw/zinc/01/43/99/520014399.db2.gz IBPYRQACWYCFPT-MOPGFXCFSA-N 0 0 266.513 7.124 40 30 CKEBRN CCCCCCCCCCCCCC(=O)C(=O)CC ZINC000100304276 567912869 /nfs/dbraw/zinc/91/28/69/567912869.db2.gz UOELRXDXUATFCT-UHFFFAOYSA-N 0 0 268.441 5.236 40 30 CKEBRN CCCCCCCCCCCCCC(=O)N1CCCC1 ZINC000100304338 519988622 /nfs/dbraw/zinc/98/86/22/519988622.db2.gz LHCODHVVGGYIOZ-UHFFFAOYSA-N 0 0 281.484 5.310 40 30 CKEBRN CCCCCCCCCCCCCC(=O)N1CCCCC1 ZINC000100304342 519988856 /nfs/dbraw/zinc/98/88/56/519988856.db2.gz RYVMIZOFKFLFHW-UHFFFAOYSA-N 0 0 295.511 5.700 40 30 CKEBRN CCCCCCCCCCCCCC[C@@H](C)CC ZINC000100305283 567912784 /nfs/dbraw/zinc/91/27/84/567912784.db2.gz HPDKJRSKBCPMIY-SFHVURJKSA-N 0 0 254.502 7.124 40 30 CKEBRN CCCCCCCCCCCCCC[C@H](C)CC ZINC000100305288 567912789 /nfs/dbraw/zinc/91/27/89/567912789.db2.gz HPDKJRSKBCPMIY-GOSISDBHSA-N 0 0 254.502 7.124 40 30 CKEBRN CCCCCCCCCCCCCCC[C@@H](C)CC ZINC000100306145 567217471 /nfs/dbraw/zinc/21/74/71/567217471.db2.gz PGZRTPKNSFMAOP-IBGZPJMESA-N 0 0 268.529 7.514 40 30 CKEBRN CCCCCCCCCCCCCCC[C@H](C)CC ZINC000100306147 567218005 /nfs/dbraw/zinc/21/80/05/567218005.db2.gz PGZRTPKNSFMAOP-LJQANCHMSA-N 0 0 268.529 7.514 40 30 CKEBRN CCCCCCCCCCCCCCCC(C)(C)O ZINC000100306176 567912912 /nfs/dbraw/zinc/91/29/12/567912912.db2.gz FMPFPPIRHUYHKY-UHFFFAOYSA-N 0 0 270.501 6.239 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@@H](C)CC ZINC000100306587 185711239 /nfs/dbraw/zinc/71/12/39/185711239.db2.gz NYRRMADCQLTNBX-FQEVSTJZSA-N 0 0 282.556 7.904 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@H](C)CC ZINC000100306589 567912839 /nfs/dbraw/zinc/91/28/39/567912839.db2.gz NYRRMADCQLTNBX-HXUWFJFHSA-N 0 0 282.556 7.904 40 30 CKEBRN CCCCCCCCCCCCCCCCCS ZINC000100309748 567912769 /nfs/dbraw/zinc/91/27/69/567912769.db2.gz FXOGYMXDUYOYKR-UHFFFAOYSA-N 0 0 272.542 6.788 40 30 CKEBRN CCCCCCCCCCCCCCOC(=O)N(C)C ZINC000100310522 567912877 /nfs/dbraw/zinc/91/28/77/567912877.db2.gz OOEOLVFMXNIICA-UHFFFAOYSA-N 0 0 285.472 5.386 40 30 CKEBRN CCCCCCCCCCCCOC(=O)c1cccnc1 ZINC000100311142 567912866 /nfs/dbraw/zinc/91/28/66/567912866.db2.gz OOBIYKZOAIQDEC-UHFFFAOYSA-N 0 0 291.435 5.159 40 30 CKEBRN CCCCCCCCCCCCOC(=O)CCCCC ZINC000100311170 185712046 /nfs/dbraw/zinc/71/20/46/185712046.db2.gz NZKTXIRCNHDQKO-UHFFFAOYSA-N 0 0 284.484 6.031 40 30 CKEBRN CCCCCCCCCCCCOc1ccccc1C=O ZINC000100311456 570266772 /nfs/dbraw/zinc/26/67/72/570266772.db2.gz FKZSPBKGUNSVCV-UHFFFAOYSA-N 0 0 290.447 5.799 40 30 CKEBRN CCCCCCCCCCCCSC(=S)N(C)C ZINC000100311703 567912781 /nfs/dbraw/zinc/91/27/81/567912781.db2.gz QYBOYCFEQPGIFV-UHFFFAOYSA-N 0 0 289.554 5.487 40 30 CKEBRN CCCCCCCCN(CCCCCCCC)C(N)=O ZINC000100312849 567912905 /nfs/dbraw/zinc/91/29/05/567912905.db2.gz CRIIMEOFWXKQLD-UHFFFAOYSA-N 0 0 284.488 5.088 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(Cl)cc1 ZINC000100357437 185713385 /nfs/dbraw/zinc/71/33/85/185713385.db2.gz XZVDESMFBWJQAP-GRSHGNNSSA-N 0 0 287.790 5.228 40 30 CKEBRN C/C(=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000100357615 567912977 /nfs/dbraw/zinc/91/29/77/567912977.db2.gz JCLHZOCYZUYOCS-KHPPLWFESA-N 0 0 291.177 5.280 40 30 CKEBRN CCCCCCCCCCCCCCn1cc(N)cn1 ZINC000100412785 520006946 /nfs/dbraw/zinc/00/69/46/520006946.db2.gz SKAZIDIGVIXFMP-UHFFFAOYSA-N 0 0 279.472 5.166 40 30 CKEBRN CCCCCCCCOc1ccc(N)cc1C(F)(F)F ZINC000100473521 567936521 /nfs/dbraw/zinc/93/65/21/567936521.db2.gz YMIZUSGGVHOLQL-UHFFFAOYSA-N 0 0 289.341 5.027 40 30 CKEBRN CCCCCCCCOc1ccc(C(F)(F)F)cc1N ZINC000100475122 520044104 /nfs/dbraw/zinc/04/41/04/520044104.db2.gz MXGFOINGTBUXPG-UHFFFAOYSA-N 0 0 289.341 5.027 40 30 CKEBRN CCCCCCCCC/C=C\CCCCC(=O)OC ZINC000100501218 567913433 /nfs/dbraw/zinc/91/34/33/567913433.db2.gz QRUFCUPDPRSOKI-QXMHVHEDSA-N 0 0 268.441 5.417 40 30 CKEBRN CCCCCCCC/C=C\CC/C=C\CCCC(=O)OC ZINC000100501226 567913454 /nfs/dbraw/zinc/91/34/54/567913454.db2.gz MTWLYBBQNPBFRK-JPTBNZNUSA-N 0 0 294.479 5.973 40 30 CKEBRN CCCCCCC/C=C/C=C/CCCCCCC(=O)OC ZINC000100501229 567913443 /nfs/dbraw/zinc/91/34/43/567913443.db2.gz LGORYHPDEHVZKJ-HULFFUFUSA-N 0 0 294.479 5.973 40 30 CKEBRN CCCCCCCCC/C=C/CCCCCCC(=O)OC ZINC000100501231 567913434 /nfs/dbraw/zinc/91/34/34/567913434.db2.gz KXOOHHMDCDXCBV-VAWYXSNFSA-N 0 0 296.495 6.197 40 30 CKEBRN CCCCCCCC/C=C\C/C=C\CCCCC(=O)OC ZINC000100501239 567913429 /nfs/dbraw/zinc/91/34/29/567913429.db2.gz AKCKWBLFZNXDLY-XVTLYKPTSA-N 0 0 294.479 5.973 40 30 CKEBRN CCCCCCCCCCCCC[C@H](O)CCC ZINC000100503241 567913420 /nfs/dbraw/zinc/91/34/20/567913420.db2.gz YPNRSIHGYMWAIQ-QGZVFWFLSA-N 0 0 256.474 5.849 40 30 CKEBRN CCCCCCCCCCCCC[C@@H](O)CCC ZINC000100503243 567913440 /nfs/dbraw/zinc/91/34/40/567913440.db2.gz YPNRSIHGYMWAIQ-KRWDZBQOSA-N 0 0 256.474 5.849 40 30 CKEBRN C=CC(=O)CCCCCCCCCCCCCCCCC ZINC000100503520 567913450 /nfs/dbraw/zinc/91/34/50/567913450.db2.gz WQGALWDLDYQGEH-UHFFFAOYSA-N 0 0 294.523 7.003 40 30 CKEBRN CCCCCCCCCCCCCCCCCCC=O ZINC000100503980 567913430 /nfs/dbraw/zinc/91/34/30/567913430.db2.gz NDQBZUKGHQYKLD-VHEBQXMUSA-N 0 0 282.512 7.320 40 30 CKEBRN C=C[C@]1(C)CC[C@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000100741213 185723554 /nfs/dbraw/zinc/72/35/54/185723554.db2.gz IGGWKHQYMAJOHK-ZJXIFLPPSA-N 0 0 290.491 5.743 40 30 CKEBRN C=C[C@]1(C)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)O1 ZINC000100741214 185723759 /nfs/dbraw/zinc/72/37/59/185723759.db2.gz IGGWKHQYMAJOHK-NXHKRRBXSA-N 0 0 290.491 5.743 40 30 CKEBRN CCCCCCCCOc1ccccc1Br ZINC000100799773 567913923 /nfs/dbraw/zinc/91/39/23/567913923.db2.gz KRRMWCZXDODTPP-UHFFFAOYSA-N 0 0 285.225 5.188 40 30 CKEBRN CCCCCCCSc1ccc(Br)cc1 ZINC000100799856 567928778 /nfs/dbraw/zinc/92/87/78/567928778.db2.gz PHYGGWRQEQXFDS-UHFFFAOYSA-N 0 0 287.266 5.512 40 30 CKEBRN CCCCCCCSc1cccc(Br)c1 ZINC000100799859 567928756 /nfs/dbraw/zinc/92/87/56/567928756.db2.gz RPMIRAQECABOJQ-UHFFFAOYSA-N 0 0 287.266 5.512 40 30 CKEBRN CCCCCCCSc1ccccc1Br ZINC000100799861 567928880 /nfs/dbraw/zinc/92/88/80/567928880.db2.gz TXXBGBRGELJVMF-UHFFFAOYSA-N 0 0 287.266 5.512 40 30 CKEBRN CCCCCCCCCCCCCCCCCC(=O)NC ZINC000100848420 567889267 /nfs/dbraw/zinc/88/92/67/567889267.db2.gz HNUFCQUTJXHEPI-UHFFFAOYSA-N 0 0 297.527 5.994 40 30 CKEBRN CCCCCCCCCCCC(=O)c1ccc(C)cc1O ZINC000100921099 519986020 /nfs/dbraw/zinc/98/60/20/519986020.db2.gz WLPCNIQAWWSJNO-UHFFFAOYSA-N 0 0 290.447 5.804 40 30 CKEBRN CCCCCCCCCC(=O)c1ccc(O)c2ncccc12 ZINC000100921751 567914057 /nfs/dbraw/zinc/91/40/57/567914057.db2.gz CWBIMKYMYUXNNW-UHFFFAOYSA-N 0 0 299.414 5.264 40 30 CKEBRN CCCCCCCCCCCC[NH2+]CCCCCC(=O)[O-] ZINC000100921889 567914070 /nfs/dbraw/zinc/91/40/70/567914070.db2.gz ZDWODGRRMAVDPA-UHFFFAOYSA-N 0 0 299.499 5.142 40 30 CKEBRN CCCCCCCCCCC(=O)c1cccc(C)c1O ZINC000100921964 519981263 /nfs/dbraw/zinc/98/12/63/519981263.db2.gz CCRRMVPQYRMVEK-UHFFFAOYSA-N 0 0 276.420 5.414 40 30 CKEBRN CCCCCCCCCCC(=O)c1ccc(C)cc1O ZINC000100921972 567914024 /nfs/dbraw/zinc/91/40/24/567914024.db2.gz ZJGOMJAOEMYIMG-UHFFFAOYSA-N 0 0 276.420 5.414 40 30 CKEBRN CCCCCCCCCCC(=O)c1cc(C)ccc1O ZINC000100921987 567914047 /nfs/dbraw/zinc/91/40/47/567914047.db2.gz IXNDGHACRJHAOG-UHFFFAOYSA-N 0 0 276.420 5.414 40 30 CKEBRN CCCCCCCC(=O)c1cc(OCCCC)ccc1O ZINC000100922009 567914025 /nfs/dbraw/zinc/91/40/25/567914025.db2.gz PHCAHJRCDRISIZ-UHFFFAOYSA-N 0 0 292.419 5.114 40 30 CKEBRN CCCCCCCCCCCC(=O)c1cccc(C)c1O ZINC000100922022 567914160 /nfs/dbraw/zinc/91/41/60/567914160.db2.gz HAFPQCOHXKEACA-UHFFFAOYSA-N 0 0 290.447 5.804 40 30 CKEBRN CCCCCCCCCC/C(=N\O)c1cccc(C)c1O ZINC000100922059 567914004 /nfs/dbraw/zinc/91/40/04/567914004.db2.gz XJXJDCCKFYDFQP-HTXNQAPBSA-N 0 0 291.435 5.410 40 30 CKEBRN CCCCCCCCCC/C(=N\O)c1ccc(C)cc1O ZINC000100922061 567914142 /nfs/dbraw/zinc/91/41/42/567914142.db2.gz FEFVCNHYJCBPMX-HTXNQAPBSA-N 0 0 291.435 5.410 40 30 CKEBRN CCCCCCCCCC[C@H](O)c1cccc(C)c1O ZINC000100922081 567914086 /nfs/dbraw/zinc/91/40/86/567914086.db2.gz KFEBKPUOJKMVAG-KRWDZBQOSA-N 0 0 278.436 5.265 40 30 CKEBRN CCCCCCCCCC[C@@H](O)c1cccc(C)c1O ZINC000100922082 567914044 /nfs/dbraw/zinc/91/40/44/567914044.db2.gz KFEBKPUOJKMVAG-QGZVFWFLSA-N 0 0 278.436 5.265 40 30 CKEBRN CCCCCCCCCC[C@H](O)c1ccc(C)cc1O ZINC000100922084 567914029 /nfs/dbraw/zinc/91/40/29/567914029.db2.gz NXFUSPOCNUBHOT-KRWDZBQOSA-N 0 0 278.436 5.265 40 30 CKEBRN CCCCCCCCCC[C@@H](O)c1ccc(C)cc1O ZINC000100922086 567914039 /nfs/dbraw/zinc/91/40/39/567914039.db2.gz NXFUSPOCNUBHOT-QGZVFWFLSA-N 0 0 278.436 5.265 40 30 CKEBRN CCCCCCCCCC[C@H](O)c1cc(C)ccc1O ZINC000100922088 567914036 /nfs/dbraw/zinc/91/40/36/567914036.db2.gz KQHXIXZSOKGQJQ-KRWDZBQOSA-N 0 0 278.436 5.265 40 30 CKEBRN CCCCCCCCCC[C@@H](O)c1cc(C)ccc1O ZINC000100922090 567914099 /nfs/dbraw/zinc/91/40/99/567914099.db2.gz KQHXIXZSOKGQJQ-QGZVFWFLSA-N 0 0 278.436 5.265 40 30 CKEBRN CCCCCCCCCCC[C@H](O)c1ccc(C)cc1O ZINC000100922091 567914077 /nfs/dbraw/zinc/91/40/77/567914077.db2.gz OSPXETUYFADPEZ-SFHVURJKSA-N 0 0 292.463 5.655 40 30 CKEBRN CCCCCCCCCCC[C@@H](O)c1ccc(C)cc1O ZINC000100922093 567914031 /nfs/dbraw/zinc/91/40/31/567914031.db2.gz OSPXETUYFADPEZ-GOSISDBHSA-N 0 0 292.463 5.655 40 30 CKEBRN CCCCCCCCCCCCc1ccc(OC)cc1 ZINC000100922098 567914030 /nfs/dbraw/zinc/91/40/30/567914030.db2.gz XTYSNEGAKVMQIA-UHFFFAOYSA-N 0 0 276.464 6.159 40 30 CKEBRN CCCCCCCCCCCC(=O)c1ccccc1OC ZINC000100922105 519986648 /nfs/dbraw/zinc/98/66/48/519986648.db2.gz FIXMCDLBLUZOCO-UHFFFAOYSA-N 0 0 290.447 5.799 40 30 CKEBRN CCCCCCCCCCCCCCN1CCOC1=O ZINC000100924184 567914092 /nfs/dbraw/zinc/91/40/92/567914092.db2.gz SJBIJAZMEXWHLN-UHFFFAOYSA-N 0 0 283.456 5.140 40 30 CKEBRN CCCCCCCCCCC/C(=N\O)c1ccc(C)cc1 ZINC000100924919 567914073 /nfs/dbraw/zinc/91/40/73/567914073.db2.gz GEXXJCXSTODMBS-FMQUCBEESA-N 0 0 289.463 6.094 40 30 CKEBRN CCCCCCCCCC/C(=N/O)c1ccc(OC)cc1 ZINC000100925734 567914133 /nfs/dbraw/zinc/91/41/33/567914133.db2.gz QVYRHFJFGZAMRZ-HNENSFHCSA-N 0 0 291.435 5.404 40 30 CKEBRN CCCCCCCSCCSCCCCCCC ZINC000100925991 567914050 /nfs/dbraw/zinc/91/40/50/567914050.db2.gz HZMKOCRDEHSPBL-UHFFFAOYSA-N 0 0 290.582 6.394 40 30 CKEBRN CCCCCCCCCCOc1ccc(C(C)=O)c(O)c1 ZINC000100926099 566962108 /nfs/dbraw/zinc/96/21/08/566962108.db2.gz HFTBNZIGEXLAGQ-UHFFFAOYSA-N 0 0 292.419 5.114 40 30 CKEBRN CCCCCCCCCCCCCCCCn1cncn1 ZINC000100930803 520005284 /nfs/dbraw/zinc/00/52/84/520005284.db2.gz BONYROGCHPWFRU-UHFFFAOYSA-N 0 0 293.499 5.759 40 30 CKEBRN CCCCCCCCCCCC(=O)c1ccc(O)c(O)c1 ZINC000100933485 567914060 /nfs/dbraw/zinc/91/40/60/567914060.db2.gz FDZBZVZIUGBKAF-UHFFFAOYSA-N 0 0 292.419 5.201 40 30 CKEBRN CCCCCCCCCCCc1noc2ccc(C)cc21 ZINC000100933922 520017191 /nfs/dbraw/zinc/01/71/91/520017191.db2.gz UNAFBPOYCGTUND-UHFFFAOYSA-N 0 0 287.447 6.210 40 30 CKEBRN CCCCCCCCCCCC(=O)c1cc(C)ccc1O ZINC000100934022 519986817 /nfs/dbraw/zinc/98/68/17/519986817.db2.gz JWYSOBDZFJWELQ-UHFFFAOYSA-N 0 0 290.447 5.804 40 30 CKEBRN CCCCCCCCCC(=O)c1cc(C)ccc1O ZINC000100934555 567914186 /nfs/dbraw/zinc/91/41/86/567914186.db2.gz XWDXIYVQEXHZEF-UHFFFAOYSA-N 0 0 262.393 5.024 40 30 CKEBRN CCCCCCCCCCSC(C)(C)/C(C)=N/O ZINC000100934750 567914051 /nfs/dbraw/zinc/91/40/51/567914051.db2.gz VUZFMZXPOIYKFT-JQIJEIRASA-N 0 0 273.486 5.489 40 30 CKEBRN CCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O ZINC000100935833 567914259 /nfs/dbraw/zinc/91/42/59/567914259.db2.gz FFVNXDLFXTYUFP-UHFFFAOYSA-N 0 0 299.414 5.182 40 30 CKEBRN CCCCCCCCC(=O)c1ccc(O)c2nc(C)ccc12 ZINC000100935837 567914235 /nfs/dbraw/zinc/91/42/35/567914235.db2.gz DDGUKQOVAIZLLU-UHFFFAOYSA-N 0 0 299.414 5.182 40 30 CKEBRN CCCCCCCCCc1ccc2cccc(O)c2n1 ZINC000100935848 567914320 /nfs/dbraw/zinc/91/43/20/567914320.db2.gz RCJIRQUPMUBOSW-UHFFFAOYSA-N 0 0 271.404 5.234 40 30 CKEBRN CCCCCCCCCc1ccc(O)c2ncccc12 ZINC000100935849 567939425 /nfs/dbraw/zinc/93/94/25/567939425.db2.gz SRHGMNUKAYSYGM-UHFFFAOYSA-N 0 0 271.404 5.234 40 30 CKEBRN CCCCCCCCCc1ccc2cccnc2c1O ZINC000100935851 567939378 /nfs/dbraw/zinc/93/93/78/567939378.db2.gz PWMOFKKLPZETDD-UHFFFAOYSA-N 0 0 271.404 5.234 40 30 CKEBRN CCCCCCCCCCc1ccc2cccc(O)c2n1 ZINC000100935854 567914288 /nfs/dbraw/zinc/91/42/88/567914288.db2.gz GSUYCGQACOLZIZ-UHFFFAOYSA-N 0 0 285.431 5.624 40 30 CKEBRN CCCCCCCCCc1ccc2ccc(CC)c(O)c2n1 ZINC000100935855 567914360 /nfs/dbraw/zinc/91/43/60/567914360.db2.gz TUKVUPDQGHXJCP-UHFFFAOYSA-N 0 0 299.458 5.796 40 30 CKEBRN CCCCCCCCCc1ccc(O)c2nc(C)ccc12 ZINC000100935861 520030695 /nfs/dbraw/zinc/03/06/95/520030695.db2.gz XKURYCUWVGQSRX-UHFFFAOYSA-N 0 0 285.431 5.542 40 30 CKEBRN CCCCCCCCCc1ccc2ccc(C)nc2c1O ZINC000100935863 567914318 /nfs/dbraw/zinc/91/43/18/567914318.db2.gz RQFNGEBCDQJDQB-UHFFFAOYSA-N 0 0 285.431 5.542 40 30 CKEBRN CCCCCCCCCCc1ccc2ccc(C)nc2c1O ZINC000100935864 567914394 /nfs/dbraw/zinc/91/43/94/567914394.db2.gz YFNHPTRYISNDKH-UHFFFAOYSA-N 0 0 299.458 5.932 40 30 CKEBRN CCCCCCCCS[C@@H]1CCCCCC/C1=N\O ZINC000100945465 520044618 /nfs/dbraw/zinc/04/46/18/520044618.db2.gz JLAPXXMMNUJNRP-IBOXJLQUSA-N 0 0 285.497 5.633 40 30 CKEBRN CCCCCCCCS[C@H]1CCCCCC/C1=N\O ZINC000100945467 567914348 /nfs/dbraw/zinc/91/43/48/567914348.db2.gz JLAPXXMMNUJNRP-UYTDBDHRSA-N 0 0 285.497 5.633 40 30 CKEBRN Clc1ccc(/C=N/c2cccc(Cl)c2)c(Cl)c1 ZINC000100950161 567914306 /nfs/dbraw/zinc/91/43/06/567914306.db2.gz WQOLVZSVRHGODE-CAOOACKPSA-N 0 0 284.573 5.397 40 30 CKEBRN CCCCCCCC(=O)Nc1ccccc1C(C)(C)C ZINC000100971281 567914380 /nfs/dbraw/zinc/91/43/80/567914380.db2.gz IGUBKANFECEIER-UHFFFAOYSA-N 0 0 275.436 5.283 40 30 CKEBRN CCCCCCCCCCCCOc1ccc(CO)cc1 ZINC000101004870 567914311 /nfs/dbraw/zinc/91/43/11/567914311.db2.gz QZRZBEONNIUBON-UHFFFAOYSA-N 0 0 292.463 5.479 40 30 CKEBRN CCCCCCCCCCOc1ccc(N)cc1Cl ZINC000101004965 567937201 /nfs/dbraw/zinc/93/72/01/567937201.db2.gz ZRJQYHZBYGXOIT-UHFFFAOYSA-N 0 0 283.843 5.442 40 30 CKEBRN CCCCCCCCCCCCc1cc(O)ccc1O ZINC000101005006 185731676 /nfs/dbraw/zinc/73/16/76/185731676.db2.gz ZNQOWAYHQGMKBF-UHFFFAOYSA-N 0 0 278.436 5.561 40 30 CKEBRN CCCCCCCCCCCC(=O)c1cc(O)ccc1O ZINC000101005015 185731191 /nfs/dbraw/zinc/73/11/91/185731191.db2.gz PUWMOPJNSOUXBD-UHFFFAOYSA-N 0 0 292.419 5.201 40 30 CKEBRN C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 ZINC000101124663 567943770 /nfs/dbraw/zinc/94/37/70/567943770.db2.gz IGGWKHQYMAJOHK-FLFBIERCSA-N 0 0 290.491 5.743 40 30 CKEBRN C=C[C@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 ZINC000101124664 567937115 /nfs/dbraw/zinc/93/71/15/567937115.db2.gz IGGWKHQYMAJOHK-ORFRNNEJSA-N 0 0 290.491 5.743 40 30 CKEBRN C=C1C[C@@H](C[C@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 ZINC000101138283 566889219 /nfs/dbraw/zinc/88/92/19/566889219.db2.gz NNOLCPLJEUHKPQ-BDUQCRIQSA-N 0 0 290.491 5.909 40 30 CKEBRN C=C1C[C@@H](C[C@@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 ZINC000101138285 566888991 /nfs/dbraw/zinc/88/89/91/566888991.db2.gz NNOLCPLJEUHKPQ-MSJBJCGKSA-N 0 0 290.491 5.909 40 30 CKEBRN C=C1C[C@H](C[C@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 ZINC000101138290 566890376 /nfs/dbraw/zinc/89/03/76/566890376.db2.gz NNOLCPLJEUHKPQ-AFKBCAQJSA-N 0 0 290.491 5.909 40 30 CKEBRN C=C1C[C@H](C[C@@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 ZINC000101138292 566890127 /nfs/dbraw/zinc/89/01/27/566890127.db2.gz NNOLCPLJEUHKPQ-ZRSLWSEBSA-N 0 0 290.491 5.909 40 30 CKEBRN CCCCCCCCCCCC(=O)c1cccs1 ZINC000101317504 567914836 /nfs/dbraw/zinc/91/48/36/567914836.db2.gz PYUCCIPSJSOPEO-UHFFFAOYSA-N 0 0 266.450 5.852 40 30 CKEBRN CCCCCCCCCCC[C@H](O)c1cccc(C)c1O ZINC000101460527 528124607 /nfs/dbraw/zinc/12/46/07/528124607.db2.gz YLVKJLIBAMKWDH-SFHVURJKSA-N 0 0 292.463 5.655 40 30 CKEBRN CCCCCCCCCCC[C@@H](O)c1cccc(C)c1O ZINC000101460529 528125160 /nfs/dbraw/zinc/12/51/60/528125160.db2.gz YLVKJLIBAMKWDH-GOSISDBHSA-N 0 0 292.463 5.655 40 30 CKEBRN C(=N\c1ccc(/N=C\c2ccccc2)cc1)\c1ccccc1 ZINC000101481874 527475479 /nfs/dbraw/zinc/47/54/79/527475479.db2.gz JEPNTPUNAKFAOY-BMJUYKDLSA-N 0 0 284.362 5.188 40 30 CKEBRN C(=N/c1ccc(/N=C\c2ccccc2)cc1)\c1ccccc1 ZINC000101481876 527474865 /nfs/dbraw/zinc/47/48/65/527474865.db2.gz JEPNTPUNAKFAOY-KBNZVFGVSA-N 0 0 284.362 5.188 40 30 CKEBRN Clc1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1 ZINC000101670230 185753851 /nfs/dbraw/zinc/75/38/51/185753851.db2.gz NOFJSTYXZBNVFE-VCHYOVAHSA-N 0 0 298.798 5.214 40 30 CKEBRN C(=N/c1c2ccccc2nc2ccccc21)\c1ccccc1 ZINC000101670285 570345114 /nfs/dbraw/zinc/34/51/14/570345114.db2.gz WEAOAXVWUGWNIQ-KGENOOAVSA-N 0 0 282.346 5.139 40 30 CKEBRN C(=N\c1ccccc1)\c1ccc(/C=N\c2ccccc2)cc1 ZINC000101671743 567914976 /nfs/dbraw/zinc/91/49/76/567914976.db2.gz XYMUFEVKENAHFB-BMJUYKDLSA-N 0 0 284.362 5.188 40 30 CKEBRN CCCCCCCCCC[C@H](O)CCCCCCCCC ZINC000101673555 570345112 /nfs/dbraw/zinc/34/51/12/570345112.db2.gz XYQREBYZFVVGCJ-HXUWFJFHSA-N 0 0 298.555 7.019 40 30 CKEBRN CCCCCCCCCC[C@@H](O)CCCCCCCCC ZINC000101673559 570345060 /nfs/dbraw/zinc/34/50/60/570345060.db2.gz XYQREBYZFVVGCJ-FQEVSTJZSA-N 0 0 298.555 7.019 40 30 CKEBRN CCCCCCCCCCCCC[C@H](O)CCCC ZINC000101673602 567914966 /nfs/dbraw/zinc/91/49/66/567914966.db2.gz QANCZOOABLPKBN-GOSISDBHSA-N 0 0 270.501 6.239 40 30 CKEBRN CCCCCCCCCCCCC[C@@H](O)CCCC ZINC000101673604 570345107 /nfs/dbraw/zinc/34/51/07/570345107.db2.gz QANCZOOABLPKBN-SFHVURJKSA-N 0 0 270.501 6.239 40 30 CKEBRN C=CCNC(=O)[C@H](CCCCC)CCCCCCCCC ZINC000101673661 570345044 /nfs/dbraw/zinc/34/50/44/570345044.db2.gz WPRQHXCNUOUDLF-GOSISDBHSA-N 0 0 295.511 5.626 40 30 CKEBRN C=CCNC(=O)[C@@H](CCCCC)CCCCCCCCC ZINC000101673665 185753841 /nfs/dbraw/zinc/75/38/41/185753841.db2.gz WPRQHXCNUOUDLF-SFHVURJKSA-N 0 0 295.511 5.626 40 30 CKEBRN CCCCCCCCC[C@@H](CCCCC)C(=O)NC ZINC000101673687 185753993 /nfs/dbraw/zinc/75/39/93/185753993.db2.gz UMIOJNNWFLSVAD-MRXNPFEDSA-N 0 0 269.473 5.070 40 30 CKEBRN CCCCCCCCC[C@H](CCCCC)C(=O)NC ZINC000101673690 570345409 /nfs/dbraw/zinc/34/54/09/570345409.db2.gz UMIOJNNWFLSVAD-INIZCTEOSA-N 0 0 269.473 5.070 40 30 CKEBRN C=CCOC(=O)CCCCCCCCCCCCC ZINC000101712964 567915086 /nfs/dbraw/zinc/91/50/86/567915086.db2.gz FFXFQWSEFSLIKK-UHFFFAOYSA-N 0 0 268.441 5.417 40 30 CKEBRN CC(C)c1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1 ZINC000101768444 185757745 /nfs/dbraw/zinc/75/77/45/185757745.db2.gz NXPNIIVDSSUDBB-QNGOZBTKSA-N 0 0 292.426 5.161 40 30 CKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000102941368 566959168 /nfs/dbraw/zinc/95/91/68/566959168.db2.gz HTEGDVREYFGTJW-KGENOOAVSA-N 0 0 288.394 5.153 40 30 CKEBRN C#CSCCCCCCCCCCCCCCCC ZINC000102962286 185800616 /nfs/dbraw/zinc/80/06/16/185800616.db2.gz ASTSLEZURJZWTB-UHFFFAOYSA-N 0 0 282.537 6.792 40 30 CKEBRN CCCCCCCCCCCCSC(C)(C)/C=N/O ZINC000103005719 185802543 /nfs/dbraw/zinc/80/25/43/185802543.db2.gz SVDNWEQVXVMMEX-BMRADRMJSA-N 0 0 287.513 5.879 40 30 CKEBRN CCCCCCCCCc1cc[nH]c1-c1ccccc1 ZINC000103009018 570260624 /nfs/dbraw/zinc/26/06/24/570260624.db2.gz KDTKEHDTSVJRHE-UHFFFAOYSA-N 0 0 269.432 5.975 40 30 CKEBRN CCCCCCCCCc1ccc(/C(C)=N/O)cc1 ZINC000103009021 570260607 /nfs/dbraw/zinc/26/06/07/570260607.db2.gz AHLYHKAXNDWVNT-OBGWFSINSA-N 0 0 261.409 5.178 40 30 CKEBRN C=Cn1ccc(CCCCCCCC)c1-c1ccccc1 ZINC000103014103 570260653 /nfs/dbraw/zinc/26/06/53/570260653.db2.gz ZWNZSOXZIJHUEU-UHFFFAOYSA-N 0 0 281.443 6.159 40 30 CKEBRN CCCCCCCCCC/C=C\CCCCCC(=O)OC ZINC000103556080 566962787 /nfs/dbraw/zinc/96/27/87/566962787.db2.gz XMONTNNUOWTMGE-SEYXRHQNSA-N 0 0 296.495 6.197 40 30 CKEBRN C(=N\c1ccc2ccccc2c1)\c1cccn1-c1ccccc1 ZINC000103600237 570279300 /nfs/dbraw/zinc/27/93/00/570279300.db2.gz XKQBRPNNYZWIAX-JWGURIENSA-N 0 0 296.373 5.381 40 30 CKEBRN CCCCCCCCCCCCCCCCCC(C)C ZINC000103600918 567915561 /nfs/dbraw/zinc/91/55/61/567915561.db2.gz LEEDMQGKBNGPDN-UHFFFAOYSA-N 0 0 282.556 7.904 40 30 CKEBRN CCCCCCCCCC(C)CCCCCCCCC ZINC000103600935 185850946 /nfs/dbraw/zinc/85/09/46/185850946.db2.gz MIKKTERVKUURCM-UHFFFAOYSA-N 0 0 282.556 7.904 40 30 CKEBRN Cc1cc(C)c(-n2cccc2/C=N/C2CCCCC2)c(C)c1 ZINC000103616877 567915610 /nfs/dbraw/zinc/91/56/10/567915610.db2.gz FSKCWUZYDHECLJ-KGENOOAVSA-N 0 0 294.442 5.154 40 30 CKEBRN CCCCCCCCCC(C)(O)CCCCCCCCC ZINC000103626437 567915644 /nfs/dbraw/zinc/91/56/44/567915644.db2.gz BTFNSSWQSTYKHB-UHFFFAOYSA-N 0 0 298.555 7.019 40 30 CKEBRN CCCCCCCCCCC(=O)CCCCCCC ZINC000103652967 185852724 /nfs/dbraw/zinc/85/27/24/185852724.db2.gz IAIYDMODPGGWBM-UHFFFAOYSA-N 0 0 268.485 6.447 40 30 CKEBRN CCCCCCCCCCCCCCCCSC ZINC000103653593 567915789 /nfs/dbraw/zinc/91/57/89/567915789.db2.gz QMJVEYVUEYCZJY-UHFFFAOYSA-N 0 0 272.542 6.831 40 30 CKEBRN CCCCCCCCCC/C=C/CCCCCC(=O)OC ZINC000103682411 477504358 /nfs/dbraw/zinc/50/43/58/477504358.db2.gz XMONTNNUOWTMGE-OUKQBFOZSA-N 0 0 296.495 6.197 40 30 CKEBRN C(=N\c1ccc2ccccc2c1)\c1c[nH]c2ccccc12 ZINC000103697248 570279623 /nfs/dbraw/zinc/27/96/23/570279623.db2.gz NWSYHRUZTJAYED-NDENLUEZSA-N 0 0 270.335 5.072 40 30 CKEBRN C/C=C\C(=O)OCCCCCCCCCCCC ZINC000104071920 567915965 /nfs/dbraw/zinc/91/59/65/567915965.db2.gz PJJDTHSONOWIIH-CPSFFCFKSA-N 0 0 254.414 5.027 40 30 CKEBRN C/C=C/C(=O)OCCCCCCCCCCCC ZINC000104071923 567915973 /nfs/dbraw/zinc/91/59/73/567915973.db2.gz PJJDTHSONOWIIH-LNKIKWGQSA-N 0 0 254.414 5.027 40 30 CKEBRN Cc1ccc(/N=C2/CCCC[C@H]2Nc2ccc(C)cc2)cc1 ZINC000104085594 185894353 /nfs/dbraw/zinc/89/43/53/185894353.db2.gz MDKCLFSIQHQHBS-WEACTYFJSA-N 0 0 292.426 5.431 40 30 CKEBRN Cc1ccc(/N=C2/CCCC[C@@H]2Nc2ccc(C)cc2)cc1 ZINC000104085598 567915895 /nfs/dbraw/zinc/91/58/95/567915895.db2.gz MDKCLFSIQHQHBS-MMDUXOIOSA-N 0 0 292.426 5.431 40 30 CKEBRN CCCCCCCC/N=N\[C@@H](C)CCCCC(=O)OCC ZINC000104103774 185895482 /nfs/dbraw/zinc/89/54/82/185895482.db2.gz YIQKDVXOIHTLMS-NXDJFEHLSA-N 0 0 298.471 5.311 40 30 CKEBRN CCCCCCCC/N=N/[C@@H](C)CCCCC(=O)OCC ZINC000104103778 567916070 /nfs/dbraw/zinc/91/60/70/567916070.db2.gz YIQKDVXOIHTLMS-RUNIHZNKSA-N 0 0 298.471 5.311 40 30 CKEBRN CCCCCCCC/N=N\[C@H](C)CCCCC(=O)OCC ZINC000104103782 567916078 /nfs/dbraw/zinc/91/60/78/567916078.db2.gz YIQKDVXOIHTLMS-OZNQOIHVSA-N 0 0 298.471 5.311 40 30 CKEBRN CCCCCCCC/N=N/[C@H](C)CCCCC(=O)OCC ZINC000104103784 567915998 /nfs/dbraw/zinc/91/59/98/567915998.db2.gz YIQKDVXOIHTLMS-VRTBNJGNSA-N 0 0 298.471 5.311 40 30 CKEBRN FC(F)(F)c1cccc(/N=C\c2ccccc2Cl)c1 ZINC000104127391 567916021 /nfs/dbraw/zinc/91/60/21/567916021.db2.gz MWUZPYNPLPQOPF-OCKHKDLRSA-N 0 0 283.680 5.109 40 30 CKEBRN CCCCCCCCCCCCOc1ccccc1OC ZINC000104134602 567916090 /nfs/dbraw/zinc/91/60/90/567916090.db2.gz AINKKTNVSUYACU-UHFFFAOYSA-N 0 0 292.463 5.995 40 30 CKEBRN CCCCC/C(C)=C1/Oc2c(c(C)cc(C)c2C)C1=O ZINC000104151491 185912677 /nfs/dbraw/zinc/91/26/77/185912677.db2.gz CWONGEACUFNMJN-GZTJUZNOSA-N 0 0 272.388 5.041 40 30 CKEBRN CCCCCCCCCCC/C=C\[C@@H](C#N)C(=O)OCC ZINC000104151683 567916223 /nfs/dbraw/zinc/91/62/23/567916223.db2.gz QBQQULATZUOYSB-XUZQSEFNSA-N 0 0 293.451 5.166 40 30 CKEBRN CCCCCCCCCCC/C=C/[C@@H](C#N)C(=O)OCC ZINC000104151686 567916260 /nfs/dbraw/zinc/91/62/60/567916260.db2.gz QBQQULATZUOYSB-ZWKQNVPVSA-N 0 0 293.451 5.166 40 30 CKEBRN CCCCCCCCCCC/C=C\[C@H](C#N)C(=O)OCC ZINC000104151689 567916273 /nfs/dbraw/zinc/91/62/73/567916273.db2.gz QBQQULATZUOYSB-NHRMXYMRSA-N 0 0 293.451 5.166 40 30 CKEBRN CCCCCCCCCCC/C=C/[C@H](C#N)C(=O)OCC ZINC000104151694 185912226 /nfs/dbraw/zinc/91/22/26/185912226.db2.gz QBQQULATZUOYSB-IAOULYHDSA-N 0 0 293.451 5.166 40 30 CKEBRN CCCCCCCCCCCCC(=O)N(CC)CC ZINC000104156431 567916170 /nfs/dbraw/zinc/91/61/70/567916170.db2.gz SFGDZCIBERLCGL-UHFFFAOYSA-N 0 0 269.473 5.166 40 30 CKEBRN CCCCCCCCCCCCC(=O)N(CCC)CCC ZINC000104156474 567916163 /nfs/dbraw/zinc/91/61/63/567916163.db2.gz XWPCDOAXNPGPAC-UHFFFAOYSA-N 0 0 297.527 5.946 40 30 CKEBRN C=CS(=O)(=O)CCCCCCCCCCCCCC ZINC000104157992 567916165 /nfs/dbraw/zinc/91/61/65/567916165.db2.gz QJYHAZDPYDOREK-UHFFFAOYSA-N 0 0 288.497 5.246 40 30 CKEBRN CCCCCCCCCCCCC(=O)N1CCCCC1 ZINC000104158081 567916183 /nfs/dbraw/zinc/91/61/83/567916183.db2.gz ZAILEXMMRLASHM-UHFFFAOYSA-N 0 0 281.484 5.310 40 30 CKEBRN CCCCCCCCCC(=O)N(CCCC)CCCC ZINC000104158087 567916277 /nfs/dbraw/zinc/91/62/77/567916277.db2.gz OHHXJNYDGVLRSQ-UHFFFAOYSA-N 0 0 283.500 5.556 40 30 CKEBRN CCCCCCCC(=O)N(CCCCC)CCCCC ZINC000104158160 567916184 /nfs/dbraw/zinc/91/61/84/567916184.db2.gz JRVJLZSRSNXBNX-UHFFFAOYSA-N 0 0 283.500 5.556 40 30 CKEBRN CCCCCCCCC(=O)N(CCCC)CCCC ZINC000104158177 567916233 /nfs/dbraw/zinc/91/62/33/567916233.db2.gz OLWWMZKVJBISLO-UHFFFAOYSA-N 0 0 269.473 5.166 40 30 CKEBRN CCCCCCCCCCCCCCSCCO ZINC000104158578 567916180 /nfs/dbraw/zinc/91/61/80/567916180.db2.gz HROSXDVULOBNMU-UHFFFAOYSA-N 0 0 274.514 5.413 40 30 CKEBRN Cc1cccc(/N=C\c2ccc(Cl)cc2Cl)c1C ZINC000104163202 185914356 /nfs/dbraw/zinc/91/43/56/185914356.db2.gz WEAMMAAGFOYZJA-NVMNQCDNSA-N 0 0 278.182 5.361 40 30 CKEBRN CCCCCCCCCCCCSC(=O)NCCC ZINC000104163420 567916164 /nfs/dbraw/zinc/91/61/64/567916164.db2.gz KJXJCCPWSFHWIO-UHFFFAOYSA-N 0 0 287.513 5.760 40 30 CKEBRN Clc1ccccc1/C=N\c1cccc2ccccc21 ZINC000104169991 567916282 /nfs/dbraw/zinc/91/62/82/567916282.db2.gz PXXFNKDJMZPGMA-UNOMPAQXSA-N 0 0 265.743 5.244 40 30 CKEBRN CCCCCCC(/C=C\c1ccccc1Cl)=N/O ZINC000104187832 567916410 /nfs/dbraw/zinc/91/64/10/567916410.db2.gz VFGRQGQSCTYMFC-VVTAYZPUSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCC(/C=C/c1ccccc1Cl)=N/O ZINC000104187836 519946391 /nfs/dbraw/zinc/94/63/91/519946391.db2.gz VFGRQGQSCTYMFC-VPJURZAQSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCC(/C=C\c1ccc(Cl)cc1)=N/O ZINC000104187839 567916396 /nfs/dbraw/zinc/91/63/96/567916396.db2.gz MRPYNAJVTDJIBH-GRKONUDFSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCC(/C=C/c1ccc(Cl)cc1)=N/O ZINC000104187843 567916414 /nfs/dbraw/zinc/91/64/14/567916414.db2.gz MRPYNAJVTDJIBH-PCEKLBEFSA-N 0 0 265.784 5.154 40 30 CKEBRN CCCCCCCCCCCCCC[N+]1([O-])CCOCC1 ZINC000104190163 567916403 /nfs/dbraw/zinc/91/64/03/567916403.db2.gz BWRZAIJDYNTWQA-UHFFFAOYSA-N 0 0 299.499 5.032 40 30 CKEBRN CCCCCCCCCCCCCC[N+]1([O-])CCCC1 ZINC000104198968 567916373 /nfs/dbraw/zinc/91/63/73/567916373.db2.gz ADBOOZWFNINPER-UHFFFAOYSA-N 0 0 283.500 5.796 40 30 CKEBRN CCCCCCCCCCCCC[N+]1([O-])CCCCC1 ZINC000104198981 567916386 /nfs/dbraw/zinc/91/63/86/567916386.db2.gz YNUKPKFLZOJGDC-UHFFFAOYSA-N 0 0 283.500 5.796 40 30 CKEBRN CCCCCCCCCCCCCC[N+]1([O-])CCCCC1 ZINC000104198985 520008539 /nfs/dbraw/zinc/00/85/39/520008539.db2.gz MARNZTUAFBJEEV-UHFFFAOYSA-N 0 0 297.527 6.186 40 30 CKEBRN CCCCCCCCCCCCC[N+]1([O-])CCCCCC1 ZINC000104199013 567916369 /nfs/dbraw/zinc/91/63/69/567916369.db2.gz UCOBZZNCKHCBCK-UHFFFAOYSA-N 0 0 297.527 6.186 40 30 CKEBRN Cc1ccc(/C(=N/c2ccccc2)c2ccccc2C)cc1 ZINC000104199581 567916363 /nfs/dbraw/zinc/91/63/63/567916363.db2.gz BTTGLUDTRRJKKH-DQRAZIAOSA-N 0 0 285.390 5.473 40 30 CKEBRN CCCCCCCCCCCC(=O)/C=C\c1ccccc1 ZINC000104201032 567916364 /nfs/dbraw/zinc/91/63/64/567916364.db2.gz OCOPJESYLDPMTN-ZCXUNETKSA-N 0 0 286.459 6.190 40 30 CKEBRN C[C@@]1(c2ccccc2)Nc2ccccc2/C1=N/c1ccccc1 ZINC000104202216 185929503 /nfs/dbraw/zinc/92/95/03/185929503.db2.gz YKSJJIVIUQUODD-AGGMBTAESA-N 0 0 298.389 5.148 40 30 CKEBRN C[C@@]1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1 ZINC000104202221 567916384 /nfs/dbraw/zinc/91/63/84/567916384.db2.gz YKSJJIVIUQUODD-MRJHHRETSA-N 0 0 298.389 5.148 40 30 CKEBRN C[C@]1(c2ccccc2)Nc2ccccc2/C1=N/c1ccccc1 ZINC000104202225 567916339 /nfs/dbraw/zinc/91/63/39/567916339.db2.gz YKSJJIVIUQUODD-SADKCHQCSA-N 0 0 298.389 5.148 40 30 CKEBRN CCCCCCCCCCCCCCCCON ZINC000104209872 567916344 /nfs/dbraw/zinc/91/63/44/567916344.db2.gz LFEDBDWFFNNYNT-UHFFFAOYSA-N 0 0 257.462 5.358 40 30 CKEBRN CSc1ccc(/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000104224936 534180371 /nfs/dbraw/zinc/18/03/71/534180371.db2.gz JBUHGJTZBUMRSR-UNOMPAQXSA-N 0 0 293.391 5.018 40 30 CKEBRN CCCCCCCCCc1ccc(COCCCC)cc1 ZINC000104261854 567916554 /nfs/dbraw/zinc/91/65/54/567916554.db2.gz VHNSNTRESWOWSM-UHFFFAOYSA-N 0 0 290.491 6.296 40 30 CKEBRN Cc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000104273925 567916514 /nfs/dbraw/zinc/91/65/14/567916514.db2.gz HZDQYAKYHORQMG-MFOYZWKCSA-N 0 0 264.155 5.052 40 30 CKEBRN c1ccc(CC[C@H]2CCCS/C2=N/c2ccccc2)cc1 ZINC000104319240 567916857 /nfs/dbraw/zinc/91/68/57/567916857.db2.gz NHIQXRUCYGNWBY-NHKNDPDJSA-N 0 0 295.451 5.493 40 30 CKEBRN C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1cccs1 ZINC000104322046 567916809 /nfs/dbraw/zinc/91/68/09/567916809.db2.gz GGFCRFMEXFTGCC-UNOMPAQXSA-N 0 0 275.376 5.070 40 30 CKEBRN CCCCCCCC[C@@H]1C[C@H](C)CC[C@@H]1OC(C)=O ZINC000104332525 567916732 /nfs/dbraw/zinc/91/67/32/567916732.db2.gz ZBXJYKOJDHTIKR-OIISXLGYSA-N 0 0 268.441 5.105 40 30 CKEBRN CCCCCCCC[C@H]1C[C@H](C)CC[C@@H]1OC(C)=O ZINC000104332528 520047787 /nfs/dbraw/zinc/04/77/87/520047787.db2.gz ZBXJYKOJDHTIKR-PVAVHDDUSA-N 0 0 268.441 5.105 40 30 CKEBRN CCCCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1OC(C)=O ZINC000104332533 567916831 /nfs/dbraw/zinc/91/68/31/567916831.db2.gz ZBXJYKOJDHTIKR-UAGQMJEPSA-N 0 0 268.441 5.105 40 30 CKEBRN CCCCCCCC[C@H]1C[C@@H](C)CC[C@@H]1OC(C)=O ZINC000104332537 567916818 /nfs/dbraw/zinc/91/68/18/567916818.db2.gz ZBXJYKOJDHTIKR-XIRDDKMYSA-N 0 0 268.441 5.105 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\C=C/c1ccccc1 ZINC000104343210 185976656 /nfs/dbraw/zinc/97/66/56/185976656.db2.gz WGSOFWGAEOWGGL-LIZKKHSFSA-N 0 0 279.383 5.240 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\C=C\c1ccccc1 ZINC000104343218 567916854 /nfs/dbraw/zinc/91/68/54/567916854.db2.gz WGSOFWGAEOWGGL-VTGAJVDQSA-N 0 0 279.383 5.240 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(C(C)C)cc1 ZINC000104343231 567916759 /nfs/dbraw/zinc/91/67/59/567916759.db2.gz BGYWIPPCORRYFW-MTJSOVHGSA-N 0 0 295.426 5.698 40 30 CKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\c1ccccc1Cl ZINC000104345103 185976814 /nfs/dbraw/zinc/97/68/14/185976814.db2.gz OTAIJMNIXXQPMD-GRSHGNNSSA-N 0 0 287.790 5.228 40 30 CKEBRN C/C=C\C=C/C(=O)OCCCCCCCCCCCC ZINC000104345898 567916748 /nfs/dbraw/zinc/91/67/48/567916748.db2.gz SUWOMTFOTLRLNL-MCTDKYETSA-N 0 0 280.452 5.583 40 30 CKEBRN C/C=C\C=C\C(=O)OCCCCCCCCCCCC ZINC000104345901 567916833 /nfs/dbraw/zinc/91/68/33/567916833.db2.gz SUWOMTFOTLRLNL-JSNTUCNZSA-N 0 0 280.452 5.583 40 30 CKEBRN C/C=C/C=C\C(=O)OCCCCCCCCCCCC ZINC000104345904 567916682 /nfs/dbraw/zinc/91/66/82/567916682.db2.gz SUWOMTFOTLRLNL-BDLAROTJSA-N 0 0 280.452 5.583 40 30 CKEBRN C/C=C/C=C/C(=O)OCCCCCCCCCCCC ZINC000104345908 567916693 /nfs/dbraw/zinc/91/66/93/567916693.db2.gz SUWOMTFOTLRLNL-NYOCTHIRSA-N 0 0 280.452 5.583 40 30 CKEBRN CCCCCCCCN(C#N)CCCCCCCC ZINC000104347397 567916851 /nfs/dbraw/zinc/91/68/51/567916851.db2.gz MRBAYGCQRZGHFC-UHFFFAOYSA-N 0 0 266.473 5.490 40 30 CKEBRN CCCCCCCC[C@@H]1OC[C@H](CC)[C@H](CCC)O1 ZINC000104359940 567916801 /nfs/dbraw/zinc/91/68/01/567916801.db2.gz IUSAOJXZVJPCML-YESZJQIVSA-N 0 0 270.457 5.305 40 30 CKEBRN CCCCCCCC[C@H]1OC[C@H](CC)[C@H](CCC)O1 ZINC000104359943 567916764 /nfs/dbraw/zinc/91/67/64/567916764.db2.gz IUSAOJXZVJPCML-ULQDDVLXSA-N 0 0 270.457 5.305 40 30 CKEBRN CCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1 ZINC000104359948 567916750 /nfs/dbraw/zinc/91/67/50/567916750.db2.gz IUSAOJXZVJPCML-IXDOHACOSA-N 0 0 270.457 5.305 40 30 CKEBRN CCCCCCCC[C@H]1OC[C@@H](CC)[C@H](CCC)O1 ZINC000104359951 567916681 /nfs/dbraw/zinc/91/66/81/567916681.db2.gz IUSAOJXZVJPCML-IKGGRYGDSA-N 0 0 270.457 5.305 40 30 CKEBRN CCCCCCCCC(OCCCC)OCCCC ZINC000104359974 567916734 /nfs/dbraw/zinc/91/67/34/567916734.db2.gz QIRRMGBRXHLLMP-UHFFFAOYSA-N 0 0 272.473 5.697 40 30 CKEBRN CCCCCCCCCC1OCC(C)(CCC)CO1 ZINC000104361268 567916706 /nfs/dbraw/zinc/91/67/06/567916706.db2.gz PBLBEBKQXZTTSS-UHFFFAOYSA-N 0 0 270.457 5.306 40 30 CKEBRN CCCCCCCC[NH+](CCCCCCCC)CC(=O)[O-] ZINC000104366529 567916834 /nfs/dbraw/zinc/91/68/34/567916834.db2.gz HVSYQIIFVJACKZ-UHFFFAOYSA-N 0 0 299.499 5.094 40 30 CKEBRN CCCCCCCCCCC[C@@H]1OCC[C@H](C)O1 ZINC000104370730 567916694 /nfs/dbraw/zinc/91/66/94/567916694.db2.gz MXKDOMWUEBTZDD-JKSUJKDBSA-N 0 0 256.430 5.059 40 30 CKEBRN CCCCCCCCCCC[C@@H]1OCC[C@@H](C)O1 ZINC000104370735 567916832 /nfs/dbraw/zinc/91/68/32/567916832.db2.gz MXKDOMWUEBTZDD-HZPDHXFCSA-N 0 0 256.430 5.059 40 30 CKEBRN CC(/C=N\c1c(C)ccc(C(C)C)c1O)=C/c1ccccc1 ZINC000104372155 567916709 /nfs/dbraw/zinc/91/67/09/567916709.db2.gz GAFPREISOZXBSX-LLRIMJKVSA-N 0 0 293.410 5.630 40 30 CKEBRN CC(=C\c1ccccc1)/C=N\c1c(C)ccc(C(C)C)c1O ZINC000104372160 567916858 /nfs/dbraw/zinc/91/68/58/567916858.db2.gz GAFPREISOZXBSX-NQNNONOWSA-N 0 0 293.410 5.630 40 30 CKEBRN CC/C(=N/O)c1ccc2cc(Cl)c3ccccc3c2c1 ZINC000104372541 185986024 /nfs/dbraw/zinc/98/60/24/185986024.db2.gz YLGGLONKSBOZFO-ZPHPHTNESA-N 0 0 283.758 5.235 40 30 CKEBRN CCCCCCCCCCCC(=O)OC/C=C\Cl ZINC000104372729 185986342 /nfs/dbraw/zinc/98/63/42/185986342.db2.gz YUEYUHPIRQCQLL-QBFSEMIESA-N 0 0 274.832 5.203 40 30 CKEBRN CCCCCCCCCCCCSC(=S)NC ZINC000104388833 567916704 /nfs/dbraw/zinc/91/67/04/567916704.db2.gz GGTINBUZLIQBKJ-UHFFFAOYSA-N 0 0 275.527 5.145 40 30 CKEBRN C/C=C\CCCCCCCCCCCCCCCC ZINC000104390521 185989559 /nfs/dbraw/zinc/98/95/59/185989559.db2.gz HANVOGLDKHFHBY-HYXAFXHYSA-N 0 0 266.513 7.434 40 30 CKEBRN C=CCc1c(-c2ccccc2)cccc1-c1ccccc1 ZINC000104959356 186034868 /nfs/dbraw/zinc/03/48/68/186034868.db2.gz ACWBLSDTMXZUIA-UHFFFAOYSA-N 0 0 270.375 5.749 40 30 CKEBRN C=CC(=O)OC[C@H](CCCCCC)CCCCCCCC ZINC000104959952 186034164 /nfs/dbraw/zinc/03/41/64/186034164.db2.gz RTJWWLFRBSTNDB-GOSISDBHSA-N 0 0 296.495 6.053 40 30 CKEBRN C=CC(=O)OC[C@@H](CCCCCC)CCCCCCCC ZINC000104959962 186033923 /nfs/dbraw/zinc/03/39/23/186033923.db2.gz RTJWWLFRBSTNDB-SFHVURJKSA-N 0 0 296.495 6.053 40 30 CKEBRN CCCCCCCCCC/C=C(/Cl)c1ccccc1 ZINC000104967574 567916941 /nfs/dbraw/zinc/91/69/41/567916941.db2.gz ZQXFDGJFNIMTKD-FBMGVBCBSA-N 0 0 278.867 6.797 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@H](O)CCC ZINC000105406368 186057084 /nfs/dbraw/zinc/05/70/84/186057084.db2.gz BTTMZEBIMDNSPK-HXUWFJFHSA-N 0 0 298.555 7.019 40 30 CKEBRN CCCCCCCCCCCCCCCC[C@@H](O)CCC ZINC000105406372 186056872 /nfs/dbraw/zinc/05/68/72/186056872.db2.gz BTTMZEBIMDNSPK-FQEVSTJZSA-N 0 0 298.555 7.019 40 30 CKEBRN CCCCCCCCCCCC(=O)N1CCC(C)CC1 ZINC000105465605 528124127 /nfs/dbraw/zinc/12/41/27/528124127.db2.gz AASVLUZOZGZMDN-UHFFFAOYSA-N 0 0 281.484 5.166 40 30 CKEBRN CCCCc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000106307160 567095736 /nfs/dbraw/zinc/09/57/36/567095736.db2.gz TUXGOFNJTSURGY-DEDYPNTBSA-N 0 0 281.399 5.102 40 30 CKEBRN CC(C)=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000107635647 567096689 /nfs/dbraw/zinc/09/66/89/567096689.db2.gz JSBDIMRVKKCQLA-UHFFFAOYSA-N 0 0 267.416 5.267 40 30 CKEBRN Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)cc(C)c1O ZINC000107658275 567094656 /nfs/dbraw/zinc/09/46/56/567094656.db2.gz BJXHCKPSVVECJC-LSCVHKIXSA-N 0 0 294.181 5.066 40 30 CKEBRN CC(C)=Nc1ccc(CSc2ccccc2)cc1 ZINC000107878344 567095767 /nfs/dbraw/zinc/09/57/67/567095767.db2.gz LDPPGEBLPYQWOC-UHFFFAOYSA-N 0 0 255.386 5.091 40 30 CKEBRN c1ccc(SCc2ccc(N=C3CCCCC3)cc2)cc1 ZINC000107887231 567094838 /nfs/dbraw/zinc/09/48/38/567094838.db2.gz ZOZFOMNWPPSZIT-UHFFFAOYSA-N 0 0 295.451 6.016 40 30 CKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)cc(C)c1O ZINC000108235405 567095502 /nfs/dbraw/zinc/09/55/02/567095502.db2.gz KADGLZCUQFYTLH-NDENLUEZSA-N 0 0 281.399 5.057 40 30 CKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)cc(C)c1O ZINC000108251722 567094863 /nfs/dbraw/zinc/09/48/63/567094863.db2.gz YMITVYSOJVSNHN-LSCVHKIXSA-N 0 0 294.181 5.066 40 30 CKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)cc(C)c1O ZINC000108932481 567096121 /nfs/dbraw/zinc/09/61/21/567096121.db2.gz WVJDCAUSSKCNHM-LSCVHKIXSA-N 0 0 294.181 5.066 40 30 CKEBRN CCCCCCCCc1cccc(Br)c1 ZINC000118909094 567095581 /nfs/dbraw/zinc/09/55/81/567095581.db2.gz SVXNIBGYTOIBPP-UHFFFAOYSA-N 0 0 269.226 5.352 40 30 CKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](C#N)CC[C@]3(C)[C@H]1CC2 ZINC000118914858 567927380 /nfs/dbraw/zinc/92/73/80/567927380.db2.gz KLNWLDZOCLFNHL-PAPWGAKMSA-N 0 0 285.475 5.559 40 30 CKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](C#N)CC[C@]3(C)[C@H]1CC2 ZINC000118914859 186788477 /nfs/dbraw/zinc/78/84/77/186788477.db2.gz KLNWLDZOCLFNHL-WDCLZLQXSA-N 0 0 285.475 5.559 40 30 CKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\O ZINC000118916157 186788695 /nfs/dbraw/zinc/78/86/95/186788695.db2.gz XPZHAZFQUFNMAU-KFAXOAFNSA-N 0 0 289.463 5.249 40 30 CKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]21CO1 ZINC000118916238 186788404 /nfs/dbraw/zinc/78/84/04/186788404.db2.gz ANNNCUHEIXOQTD-IJMQKCTASA-N 0 0 288.475 5.188 40 30 CKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N/O ZINC000118919622 567927244 /nfs/dbraw/zinc/92/72/44/567927244.db2.gz XPZHAZFQUFNMAU-HNOINMFASA-N 0 0 289.463 5.249 40 30 CKEBRN C=C1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 ZINC000118927723 186789294 /nfs/dbraw/zinc/78/92/94/186789294.db2.gz ILBLGWAWNQYOHW-RABCQHRBSA-N 0 0 272.476 5.975 40 30 CKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C/C(=N/O)CC[C@]3(C)[C@H]1CC2 ZINC000118928291 534276662 /nfs/dbraw/zinc/27/66/62/534276662.db2.gz JUOKOKWZZXYKBQ-ZEWGRTNJSA-N 0 0 289.463 5.249 40 30 CKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](S)CC[C@]3(C)[C@H]1CC2 ZINC000118928746 186788820 /nfs/dbraw/zinc/78/88/20/186788820.db2.gz QLLFFHIRARHPDL-UGCZWRCOSA-N 0 0 290.516 5.638 40 30 CKEBRN C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000137463878 567096082 /nfs/dbraw/zinc/09/60/82/567096082.db2.gz CECREIRZLPLYDM-IZBJGVDFSA-N 0 0 290.491 5.502 40 30 CKEBRN Cc1ccc(Cl)cc1/N=C/c1cccc2ccccc12 ZINC000139324151 567095977 /nfs/dbraw/zinc/09/59/77/567095977.db2.gz ZISJUKTXARYGKM-UDWIEESQSA-N 0 0 279.770 5.552 40 30 CKEBRN CCCCCCCCCc1ccc(CBr)cc1 ZINC000146271843 567095787 /nfs/dbraw/zinc/09/57/87/567095787.db2.gz CKYDCKQAHXOCBB-UHFFFAOYSA-N 0 0 297.280 5.875 40 30 CKEBRN C=C(C)C/C(=C/C(C)(C)O)[Si](C)(CCC)CCC ZINC000195817053 570336234 /nfs/dbraw/zinc/33/62/34/570336234.db2.gz RDURQHGDLNWCQZ-SQFISAMPSA-N 0 0 268.517 5.088 40 30 CKEBRN C=C(C)C/C(=C/C(C)(C)OC)[Si](C)(CCC)CCC ZINC000195820229 189682188 /nfs/dbraw/zinc/68/21/88/189682188.db2.gz NPLPDSXZHJYTAR-PEZBUJJGSA-N 0 0 282.544 5.742 40 30 CKEBRN C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000196578389 567063495 /nfs/dbraw/zinc/06/34/95/567063495.db2.gz CECREIRZLPLYDM-JYBIWHBTSA-N 0 0 290.491 5.502 40 30 biogenic CKEBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3)cc21 ZINC000196874832 570291984 /nfs/dbraw/zinc/29/19/84/570291984.db2.gz KXDKFBIKWWKJHJ-HFITWMCCSA-N 0 0 292.426 5.159 40 30 CKEBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3)cc21 ZINC000196874842 570291980 /nfs/dbraw/zinc/29/19/80/570291980.db2.gz KXDKFBIKWWKJHJ-HBBMIWKISA-N 0 0 292.426 5.159 40 30 CKEBRN CCCCCCCCCCC[C@H](NN)c1ccccc1 ZINC000199538051 567906124 /nfs/dbraw/zinc/90/61/24/567906124.db2.gz CDWLIOANOQQPPA-SFHVURJKSA-N 0 0 276.468 5.112 40 30 CKEBRN CCCCCCCCCCC[C@@H](NN)c1ccccc1 ZINC000199538063 567906268 /nfs/dbraw/zinc/90/62/68/567906268.db2.gz CDWLIOANOQQPPA-GOSISDBHSA-N 0 0 276.468 5.112 40 30 CKEBRN CCCCCCCCC(CCCCCCCC)NN ZINC000199547688 519976078 /nfs/dbraw/zinc/97/60/78/519976078.db2.gz OCDMBGWPCBAMGZ-UHFFFAOYSA-N 0 0 270.505 5.320 40 30 CKEBRN N#Cc1cc(-c2ccc(F)cc2)sc1-c1ccc(F)cc1 ZINC000203815861 566890985 /nfs/dbraw/zinc/89/09/85/566890985.db2.gz DMELSFULBVEPQZ-UHFFFAOYSA-N 0 0 297.329 5.232 40 30 CKEBRN CCCCN1c2cc(Cl)c(C#N)cc2[C@@H](C)CC1(C)C ZINC000223775931 566942978 /nfs/dbraw/zinc/94/29/78/566942978.db2.gz LVEVTKJECAUSTH-LBPRGKRZSA-N 0 0 290.838 5.104 40 30 CKEBRN CCCCN1c2cc(Cl)c(C#N)cc2C(C)=CC1(C)C ZINC000223792397 136584428 /nfs/dbraw/zinc/58/44/28/136584428.db2.gz MWLFZUVCRXBSIO-UHFFFAOYSA-N 0 0 288.822 5.014 40 30 CKEBRN C=C[Si](C)(CCCCCCCC)CCCCCCCC ZINC000226257398 567948684 /nfs/dbraw/zinc/94/86/84/567948684.db2.gz ZSFJYRSLGGXMBS-UHFFFAOYSA-N 0 0 296.615 7.511 40 30 CKEBRN C=C[C@H]1CC[C@H](C2CCC(c3ccc(C)cc3)CC2)CC1 ZINC000245204437 570385983 /nfs/dbraw/zinc/38/59/83/570385983.db2.gz BCUMFFLWJNKNOU-SNXBXODESA-N 0 0 282.471 6.261 40 30 CKEBRN CCCCCCC[C@H]1CC[C@H](c2ccc(F)c(F)c2)CC1 ZINC000248297169 567100674 /nfs/dbraw/zinc/10/06/74/567100674.db2.gz XZJQPRYOMYTPOL-WKILWMFISA-N 0 0 294.429 6.599 40 30 CKEBRN CC(C)c1ccccc1N=Cc1c(O)ccc2ccccc21 ZINC000254346970 567100699 /nfs/dbraw/zinc/10/06/99/567100699.db2.gz DAAGFIDTCQPUJC-UHFFFAOYSA-N 0 0 289.378 5.419 40 30 CKEBRN Oc1c(C=Nc2ccc(F)c(Cl)c2)ccc2ccccc12 ZINC000254617372 334482838 /nfs/dbraw/zinc/48/28/38/334482838.db2.gz OOXYMJXESMOHRJ-UHFFFAOYSA-N 0 0 299.732 5.089 40 30 CKEBRN CCc1cccc(C)c1N=Cc1ccc2ccccc2c1O ZINC000254757004 327249562 /nfs/dbraw/zinc/24/95/62/327249562.db2.gz RQEQUWFFBJUOAI-UHFFFAOYSA-N 0 0 289.378 5.167 40 30 CKEBRN CCCCc1ccc(N=Cc2ccc(OCC)cc2)cc1 ZINC000254845461 567100815 /nfs/dbraw/zinc/10/08/15/567100815.db2.gz DBOAVDSSZWDGTH-UHFFFAOYSA-N 0 0 281.399 5.179 40 30 CKEBRN CCCCCCCCCC=Nc1ccccc1C(=O)OC ZINC000255978910 567099328 /nfs/dbraw/zinc/09/93/28/567099328.db2.gz IKRROOGGEXPVSO-UHFFFAOYSA-N 0 0 289.419 5.316 40 30 CKEBRN CCCCOc1ccc(C=Nc2ccc(CC)cc2)cc1 ZINC000256071220 567100760 /nfs/dbraw/zinc/10/07/60/567100760.db2.gz AUVREZVTBBIYLI-UHFFFAOYSA-N 0 0 281.399 5.179 40 30 CKEBRN CCCCOc1ccc(C=Nc2ccc(CCC)cc2)cc1 ZINC000256072195 520873843 /nfs/dbraw/zinc/87/38/43/520873843.db2.gz HOVWLRKKOQRZAJ-UHFFFAOYSA-N 0 0 295.426 5.569 40 30 CKEBRN CCCCc1ccc(N=Cc2ccc(C)cc2)cc1 ZINC000256169226 567100976 /nfs/dbraw/zinc/10/09/76/567100976.db2.gz KCHFMTRVJWKQAC-UHFFFAOYSA-N 0 0 251.373 5.088 40 30 CKEBRN COc1ccc(C=Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000256622984 567100614 /nfs/dbraw/zinc/10/06/14/567100614.db2.gz VYKQBJJHYKJSGA-UHFFFAOYSA-N 0 0 287.362 5.113 40 30 CKEBRN CCCCN1c2cc(Cl)c(C#N)cc2[C@H](C)CC1(C)C ZINC000260719717 328055131 /nfs/dbraw/zinc/05/51/31/328055131.db2.gz LVEVTKJECAUSTH-GFCCVEGCSA-N 0 0 290.838 5.104 40 30 CKEBRN Cc1ccc(Cl)c(N=Cc2c(O)ccc3ccccc23)c1 ZINC000260840537 328073772 /nfs/dbraw/zinc/07/37/72/328073772.db2.gz AYQYWGWPBAJTQE-UHFFFAOYSA-N 0 0 295.769 5.258 40 30 CKEBRN CC(C)c1ccccc1N=Cc1ccc2ccccc2c1O ZINC000260840558 328073718 /nfs/dbraw/zinc/07/37/18/328073718.db2.gz CGGWQFXLKJNIDX-UHFFFAOYSA-N 0 0 289.378 5.419 40 30 CKEBRN Oc1ccc2ccccc2c1C=Nc1ccc(F)c(Cl)c1 ZINC000260840611 328073754 /nfs/dbraw/zinc/07/37/54/328073754.db2.gz LQTFTYRUIIQDBU-UHFFFAOYSA-N 0 0 299.732 5.089 40 30 CKEBRN Cc1ccc(Cl)c(N=Cc2ccc3ccccc3c2O)c1 ZINC000260840650 328073823 /nfs/dbraw/zinc/07/38/23/328073823.db2.gz SBCUUNCHSSEFHR-UHFFFAOYSA-N 0 0 295.769 5.258 40 30 CKEBRN Cc1c(Cl)cccc1N=Cc1ccc2ccccc2c1O ZINC000260840656 328073747 /nfs/dbraw/zinc/07/37/47/328073747.db2.gz URKWANFNACLGJH-UHFFFAOYSA-N 0 0 295.769 5.258 40 30 CKEBRN CCc1cccc(C)c1N=Cc1c(O)ccc2ccccc21 ZINC000260840669 328073819 /nfs/dbraw/zinc/07/38/19/328073819.db2.gz XJVCLOOVJXOQEB-UHFFFAOYSA-N 0 0 289.378 5.167 40 30 CKEBRN Cc1ccc(Cl)cc1N=Cc1ccc2ccccc2c1O ZINC000260840672 328073698 /nfs/dbraw/zinc/07/36/98/328073698.db2.gz XPRDZGRLCKHXQD-UHFFFAOYSA-N 0 0 295.769 5.258 40 30 CKEBRN CCCCCC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 ZINC000299754845 567948656 /nfs/dbraw/zinc/94/86/56/567948656.db2.gz YEPXKTSYILRSQX-SAABIXHNSA-N 0 0 269.432 5.802 40 30 CKEBRN CCCCCCOc1ccc(C=Nc2ccc(O)cc2)cc1 ZINC000299888438 263255195 /nfs/dbraw/zinc/25/51/95/263255195.db2.gz JRNVBZKAQTXOMH-UHFFFAOYSA-N 0 0 297.398 5.102 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccccc2C)C1 ZINC000408562785 528598337 /nfs/dbraw/zinc/59/83/37/528598337.db2.gz CFGYPBAKTPAIRC-MDJJKAFGSA-N 0 0 285.431 5.096 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccccc2C)C1 ZINC000408562786 528595278 /nfs/dbraw/zinc/59/52/78/528595278.db2.gz CFGYPBAKTPAIRC-QJPKHSJYSA-N 0 0 285.431 5.096 40 30 CKEBRN CCc1ccccc1NC=C1C[C@H](C(C)(C)CC)CCC1=O ZINC000408562817 529586145 /nfs/dbraw/zinc/58/61/45/529586145.db2.gz DMUISTVRNWYTOE-FYPAKXHLSA-N 0 0 299.458 5.350 40 30 CKEBRN CCc1ccccc1NC=C1C[C@@H](C(C)(C)CC)CCC1=O ZINC000408562818 529586016 /nfs/dbraw/zinc/58/60/16/529586016.db2.gz DMUISTVRNWYTOE-ZQHZRZASSA-N 0 0 299.458 5.350 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(C)cc2)C1 ZINC000408562870 528597960 /nfs/dbraw/zinc/59/79/60/528597960.db2.gz GAGCZRFYBLZXIB-MDJJKAFGSA-N 0 0 285.431 5.096 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(C)cc2)C1 ZINC000408562872 528594972 /nfs/dbraw/zinc/59/49/72/528594972.db2.gz GAGCZRFYBLZXIB-QJPKHSJYSA-N 0 0 285.431 5.096 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cc(C)ccc2C)C1 ZINC000408562915 567881251 /nfs/dbraw/zinc/88/12/51/567881251.db2.gz GRUCQTQNQPXBKN-HJUDDPQBSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cc(C)ccc2C)C1 ZINC000408562919 567881078 /nfs/dbraw/zinc/88/10/78/567881078.db2.gz GRUCQTQNQPXBKN-MAUBAPBLSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(C)c(C)c2)C1 ZINC000408563094 567852149 /nfs/dbraw/zinc/85/21/49/567852149.db2.gz ILQUQNBLPGJHGF-HJUDDPQBSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(C)c(C)c2)C1 ZINC000408563096 567881075 /nfs/dbraw/zinc/88/10/75/567881075.db2.gz ILQUQNBLPGJHGF-MAUBAPBLSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cccc(C)c2C)C1 ZINC000408563107 528594950 /nfs/dbraw/zinc/59/49/50/528594950.db2.gz IQGRAUUWNQDGQA-HJUDDPQBSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cccc(C)c2C)C1 ZINC000408563109 567881303 /nfs/dbraw/zinc/88/13/03/567881303.db2.gz IQGRAUUWNQDGQA-MAUBAPBLSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cccc(C)c2)C1 ZINC000408563630 567881383 /nfs/dbraw/zinc/88/13/83/567881383.db2.gz QNHJAUPGRGWYAS-MDJJKAFGSA-N 0 0 285.431 5.096 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cccc(C)c2)C1 ZINC000408563631 567881177 /nfs/dbraw/zinc/88/11/77/567881177.db2.gz QNHJAUPGRGWYAS-QJPKHSJYSA-N 0 0 285.431 5.096 40 30 CKEBRN CCc1ccc(NC=C2C[C@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408563938 567881268 /nfs/dbraw/zinc/88/12/68/567881268.db2.gz SJXLJGWXDGERNI-FYPAKXHLSA-N 0 0 299.458 5.350 40 30 CKEBRN CCc1ccc(NC=C2C[C@@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408563939 567881056 /nfs/dbraw/zinc/88/10/56/567881056.db2.gz SJXLJGWXDGERNI-ZQHZRZASSA-N 0 0 299.458 5.350 40 30 CKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(C)cc2C)C1 ZINC000408564296 567852304 /nfs/dbraw/zinc/85/23/04/567852304.db2.gz YFERMXFMPJXHTC-HJUDDPQBSA-N 0 0 299.458 5.405 40 30 CKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(C)cc2C)C1 ZINC000408564298 567852545 /nfs/dbraw/zinc/85/25/45/567852545.db2.gz YFERMXFMPJXHTC-MAUBAPBLSA-N 0 0 299.458 5.405 40 30 CKEBRN CC(C)(C)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1 ZINC000408718042 260028055 /nfs/dbraw/zinc/02/80/55/260028055.db2.gz FBMRAJBMICTRHU-SFQUDFHCSA-N 0 0 294.419 5.314 40 30 CKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1ccccc1 ZINC000408737709 567882251 /nfs/dbraw/zinc/88/22/51/567882251.db2.gz FUTSYPABLPMLAY-KGENOOAVSA-N 0 0 288.394 5.153 40 30 CKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000408738130 567882584 /nfs/dbraw/zinc/88/25/84/567882584.db2.gz PGPVQFKCIMICDY-KGENOOAVSA-N 0 0 288.394 5.153 40 30 CKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1C1CCCCC1 ZINC000408740113 567882413 /nfs/dbraw/zinc/88/24/13/567882413.db2.gz IHAIAGSUFNAYCI-KGENOOAVSA-N 0 0 294.442 5.669 40 30 CKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1C1CCCCC1 ZINC000408740147 230409501 /nfs/dbraw/zinc/40/95/01/230409501.db2.gz IWQBEBPGDHSYQJ-KGENOOAVSA-N 0 0 294.442 5.669 40 30 CKEBRN Cc1cc(/C=N/c2ccccc2O)c(C)n1C1CCCCC1 ZINC000408740260 567882247 /nfs/dbraw/zinc/88/22/47/567882247.db2.gz JQEOUWFHKFGXEA-DEDYPNTBSA-N 0 0 296.414 5.066 40 30 CKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1C1CCCCC1 ZINC000408741706 567882446 /nfs/dbraw/zinc/88/24/46/567882446.db2.gz RRLKMFLWIIZPDG-FYJGNVAPSA-N 0 0 298.405 5.500 40 30 CKEBRN Cc1cc(/C=N/c2cccc(O)c2)c(C)n1C1CCCCC1 ZINC000408742653 567882427 /nfs/dbraw/zinc/88/24/27/567882427.db2.gz XNFWDFAVXUFPCB-DEDYPNTBSA-N 0 0 296.414 5.066 40 30 CKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1C1CCCCC1 ZINC000408742715 567882290 /nfs/dbraw/zinc/88/22/90/567882290.db2.gz XYJVEFMKYHHGAO-KGENOOAVSA-N 0 0 294.442 5.669 40 30 CKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccco3)c2C)cc1 ZINC000408752373 567882670 /nfs/dbraw/zinc/88/26/70/567882670.db2.gz DXFOMTVCJRIYOW-DEDYPNTBSA-N 0 0 292.382 5.000 40 30 CKEBRN Cc1cc(/C=N/c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000408759682 230409607 /nfs/dbraw/zinc/40/96/07/230409607.db2.gz JNEBSCAQLUPREI-YBFXNURJSA-N 0 0 298.773 5.091 40 30 CKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000408760830 567929828 /nfs/dbraw/zinc/92/98/28/567929828.db2.gz AFVLQWSSBJCTBS-KGENOOAVSA-N 0 0 288.394 5.153 40 30 CKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000408767081 567882778 /nfs/dbraw/zinc/88/27/78/567882778.db2.gz VMRTYQUWCJFELC-STZFKDTASA-N 0 0 294.442 5.154 40 30 CKEBRN Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000408778708 567933306 /nfs/dbraw/zinc/93/33/06/567933306.db2.gz XBEJKFVDRBEIHL-YBFXNURJSA-N 0 0 298.773 5.091 40 30 CKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1C ZINC000408779537 534016265 /nfs/dbraw/zinc/01/62/65/534016265.db2.gz XYZJTRASCANVPN-KGENOOAVSA-N 0 0 288.394 5.060 40 30 CKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1C ZINC000408780108 567933016 /nfs/dbraw/zinc/93/30/16/567933016.db2.gz SIYMMFIOUKUHLN-KGENOOAVSA-N 0 0 294.442 5.440 40 30 CKEBRN Cc1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 ZINC000408807741 570231034 /nfs/dbraw/zinc/23/10/34/570231034.db2.gz FBYOQRJICXZIGE-MOSHPQCFSA-N 0 0 294.785 5.190 40 30 CKEBRN Cc1c(/C=N\c2cc(Cl)ccc2C)c2ccccc2n1C ZINC000408820075 230409798 /nfs/dbraw/zinc/40/97/98/230409798.db2.gz UXNQWVLEOISUSD-JAIQZWGSSA-N 0 0 296.801 5.199 40 30 CKEBRN Cc1ccc(/N=C\c2cccn2-c2ccccc2)cc1Cl ZINC000408821185 230409721 /nfs/dbraw/zinc/40/97/21/230409721.db2.gz DHLRPWWJFNVJOT-MOSHPQCFSA-N 0 0 294.785 5.190 40 30 CKEBRN Fc1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408842732 230410009 /nfs/dbraw/zinc/41/00/09/230410009.db2.gz CHXYFAOLSLUJTM-NDENLUEZSA-N 0 0 298.748 5.020 40 30 CKEBRN CC(C)c1ccccc1/N=C/c1cccn1-c1ccccc1 ZINC000408842733 567933024 /nfs/dbraw/zinc/93/30/24/567933024.db2.gz AWEVAUFCTQHHKG-RCCKNPSSSA-N 0 0 288.394 5.351 40 30 CKEBRN Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccccc1 ZINC000408842798 533876953 /nfs/dbraw/zinc/87/69/53/533876953.db2.gz BMTCWZRYPKZNGB-DEDYPNTBSA-N 0 0 294.785 5.190 40 30 CKEBRN CC(C)c1cc(C=NNc2ccccc2)cc(C(C)C)c1O ZINC000408848428 567883669 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