smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)s1 ZINC000001997138 212143965 /nfs/dbraw/zinc/14/39/65/212143965.db2.gz YAKRKFCZKPDKHG-UHFFFAOYSA-N 0 3 399.556 5.789 10 0 investigational GKAEHN COc1cccc(-c2nc3cc(F)ccc3cc2CN[C@H](C)c2cccs2)c1 ZINC000064093912 205188421 /nfs/dbraw/zinc/18/84/21/205188421.db2.gz WPCLSMZSJAPWFB-OAHLLOKOSA-N 0 3 392.499 5.962 10 0 GKAEHN Cc1c2ccccc2oc1C(=O)N(CCCN1CCCCC1)c1ccccc1 ZINC000095558674 211276333 /nfs/dbraw/zinc/27/63/33/211276333.db2.gz CTMDNCSJPPQMLF-UHFFFAOYSA-N 0 3 376.500 5.264 10 0 GKAEHN Clc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000013721124 206993219 /nfs/dbraw/zinc/99/32/19/206993219.db2.gz XXPSLDIDDFVZRA-UHFFFAOYSA-N 0 3 386.322 5.905 10 0 GKAEHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 ZINC000020875154 207218270 /nfs/dbraw/zinc/21/82/70/207218270.db2.gz FCIVJBHGJHVPTC-UHFFFAOYSA-N 0 3 395.930 5.568 10 0 GKAEHN CCCOc1c(Br)cc(Br)cc1CNC1CCCC1 ZINC000020929630 210370267 /nfs/dbraw/zinc/37/02/67/210370267.db2.gz UAQKDRXOGAWDRC-UHFFFAOYSA-N 0 3 391.147 5.033 10 0 GKAEHN Cc1ccc(COc2ccc3ccccc3c2CN[C@@H](C)c2ccccc2)cc1 ZINC000020874167 210365609 /nfs/dbraw/zinc/36/56/09/210365609.db2.gz ASKJLZOSJPXSRG-NRFANRHFSA-N 0 3 381.519 6.578 10 0 GKAEHN COc1cc(Br)cc(CNC2CCCC2)c1OCc1ccccc1 ZINC000010474045 221103960 /nfs/dbraw/zinc/10/39/60/221103960.db2.gz ALMZYGDECYRUSH-UHFFFAOYSA-N 0 3 390.321 5.069 10 0 GKAEHN C[C@@H](CCc1ccccc1)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013725870 221284397 /nfs/dbraw/zinc/28/43/97/221284397.db2.gz FFDFQGOQODETOW-SFHVURJKSA-N 0 3 397.921 6.169 10 0 GKAEHN Fc1ccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000013723182 221284655 /nfs/dbraw/zinc/28/46/55/221284655.db2.gz UNGOLIIBYIWRQC-UHFFFAOYSA-N 0 3 398.692 6.378 10 0 GKAEHN CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(Cl)cc1Cl ZINC000013723107 221284736 /nfs/dbraw/zinc/28/47/36/221284736.db2.gz FHVWCYUZWOHFBZ-UHFFFAOYSA-N 0 3 393.141 6.031 10 0 GKAEHN Cc1ccc(COc2ccc3ccccc3c2CN[C@H](C)c2ccccc2)cc1 ZINC000020874165 570283015 /nfs/dbraw/zinc/28/30/15/570283015.db2.gz ASKJLZOSJPXSRG-OAQYLSRUSA-N 0 3 381.519 6.578 10 0 GKAEHN Cc1ccc(COc2ccc(Cl)cc2CNCCc2ccc(F)cc2)cc1 ZINC000020875152 570283269 /nfs/dbraw/zinc/28/32/69/570283269.db2.gz YHAIFABZDVZLQF-UHFFFAOYSA-N 0 3 383.894 5.699 10 0 GKAEHN O=C(CSC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000048533986 570659640 /nfs/dbraw/zinc/65/96/40/570659640.db2.gz NEXDEPXHPQWXGY-UHFFFAOYSA-N 0 3 375.537 5.420 10 0 GKAEHN CCCCOCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013719548 570779549 /nfs/dbraw/zinc/77/95/49/570779549.db2.gz RXXJQTODMLZQAT-UHFFFAOYSA-N 0 3 391.939 5.224 10 0 GKAEHN CCCCOCCCNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013720091 570780083 /nfs/dbraw/zinc/78/00/83/570780083.db2.gz NYHORTXGVJWGQO-UHFFFAOYSA-N 0 3 375.940 5.524 10 0 GKAEHN CCOc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccccc1 ZINC000013721341 570780604 /nfs/dbraw/zinc/78/06/04/570780604.db2.gz BSNHESJSUCPUBU-UHFFFAOYSA-N 0 3 395.930 5.650 10 0 GKAEHN Clc1ccc(CCNCc2ccccc2OCc2ccccc2)c(Cl)c1 ZINC000013722748 570781000 /nfs/dbraw/zinc/78/10/00/570781000.db2.gz MXKLSMJVBXFHTD-UHFFFAOYSA-N 0 3 386.322 5.905 10 0 GKAEHN CC(C)CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000013724231 570781235 /nfs/dbraw/zinc/78/12/35/570781235.db2.gz VWQZEZKANOQLCM-UHFFFAOYSA-N 0 3 380.301 5.303 10 0 GKAEHN CC(C)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013724221 570781312 /nfs/dbraw/zinc/78/13/12/570781312.db2.gz YKPYTXLSJGTTBQ-UHFFFAOYSA-N 0 3 380.301 5.303 10 0 GKAEHN CNCc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000019777212 570929640 /nfs/dbraw/zinc/92/96/40/570929640.db2.gz NKKGQDSWHYXDEI-UHFFFAOYSA-N 0 3 375.093 5.054 10 0 GKAEHN CCNCc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040739772 570998665 /nfs/dbraw/zinc/99/86/65/570998665.db2.gz VUXVVQWLUHUJGF-UHFFFAOYSA-N 0 3 389.120 5.444 10 0 GKAEHN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(Cc2ccco2)CC1 ZINC000015073491 210151035 /nfs/dbraw/zinc/15/10/35/210151035.db2.gz VJUFOZSCZUGEJM-UHFFFAOYSA-N 0 3 399.494 5.279 10 0 GKAEHN Clc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1 ZINC000013720898 210085096 /nfs/dbraw/zinc/08/50/96/210085096.db2.gz BBFHSYDEMAWJKN-UHFFFAOYSA-N 0 3 386.322 5.905 10 0 GKAEHN FC(F)(F)c1cccc(-c2ccc(CNCCc3ccc(Cl)cc3)o2)c1 ZINC000013721448 210084416 /nfs/dbraw/zinc/08/44/16/210084416.db2.gz NFDVXMPRYPMCMU-UHFFFAOYSA-N 0 3 379.809 5.951 10 0 GKAEHN COc1ccccc1CCNCc1ccccc1OCc1ccccc1Cl ZINC000013718600 210083465 /nfs/dbraw/zinc/08/34/65/210083465.db2.gz DCQDQGMKUKKKKK-UHFFFAOYSA-N 0 3 381.903 5.260 10 0 GKAEHN CCCCOCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013719782 210083035 /nfs/dbraw/zinc/08/30/35/210083035.db2.gz KQQMIURCRCRHJP-UHFFFAOYSA-N 0 3 396.358 5.869 10 0 GKAEHN CCOc1cccc(CN[C@@H](C)CC)c1OCc1ccc(Cl)cc1Cl ZINC000013717554 210082744 /nfs/dbraw/zinc/08/27/44/210082744.db2.gz XTNPUELWEFEWKS-AWEZNQCLSA-N 0 3 382.331 5.859 10 0 GKAEHN CCOc1cccc(CNCCc2ccccc2OC)c1OCc1ccccc1 ZINC000013719181 210082487 /nfs/dbraw/zinc/08/24/87/210082487.db2.gz CHONKJZAEXFTMN-UHFFFAOYSA-N 0 3 391.511 5.005 10 0 GKAEHN C[C@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 ZINC000010473903 204335797 /nfs/dbraw/zinc/33/57/97/204335797.db2.gz VUAPKUJRQYSQTC-KRWDZBQOSA-N 0 3 396.328 5.879 10 0 GKAEHN COc1ccc2cc(CNCc3ccccc3OC)c(-c3ccsc3)nc2c1 ZINC000012047439 204368411 /nfs/dbraw/zinc/36/84/11/204368411.db2.gz FBFZTAAJISSLOI-UHFFFAOYSA-N 0 3 390.508 5.270 10 0 GKAEHN CC(C)(C)N(CCC(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000045354941 205095566 /nfs/dbraw/zinc/09/55/66/205095566.db2.gz FDXSWIGANSTCJG-UHFFFAOYSA-N 0 3 380.351 5.384 10 0 GKAEHN COc1cc(Cl)cc(CNCCc2ccccc2)c1OCc1ccccc1 ZINC000020476681 207196798 /nfs/dbraw/zinc/19/67/98/207196798.db2.gz LLPSEZSUZVTULE-UHFFFAOYSA-N 0 3 381.903 5.260 10 0 GKAEHN CCCN(CCC)Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1 ZINC000023319879 207273344 /nfs/dbraw/zinc/27/33/44/207273344.db2.gz QJGZCKODYMHGSZ-UHFFFAOYSA-N 0 3 380.557 6.108 10 0 GKAEHN COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccc(C)cc1 ZINC000020873978 210364431 /nfs/dbraw/zinc/36/44/31/210364431.db2.gz JVORAEOSDQZPEA-UHFFFAOYSA-N 0 3 379.475 5.054 10 0 GKAEHN COc1ccc2cc(CNCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1 ZINC000012149791 221160577 /nfs/dbraw/zinc/16/05/77/221160577.db2.gz WAGYXCGXJVEIFG-UHFFFAOYSA-N 0 3 394.927 5.915 10 0 GKAEHN COc1cc(Cl)cc(CNCCc2ccccc2F)c1OCc1ccccc1 ZINC000020476747 570260948 /nfs/dbraw/zinc/26/09/48/570260948.db2.gz XREORYWMIYWHQH-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN O=C(CSCCN1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000001726196 570267625 /nfs/dbraw/zinc/26/76/25/570267625.db2.gz QOGJJAFMNYXNAG-UHFFFAOYSA-N 0 3 384.570 5.035 10 0 GKAEHN CCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(OC)c(OC)c1 ZINC000020930119 570285318 /nfs/dbraw/zinc/28/53/18/570285318.db2.gz UGQXEVJFNQAUKU-UHFFFAOYSA-N 0 3 398.330 5.132 10 0 GKAEHN CN(Cc1c[nH]nc1-c1cccc2ccccc21)Cc1cccc2cnccc21 ZINC000011936170 570449367 /nfs/dbraw/zinc/44/93/67/570449367.db2.gz BPZVUYJILLEBCA-UHFFFAOYSA-N 0 3 378.479 5.410 10 0 GKAEHN COc1ccccc1CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013719138 570779463 /nfs/dbraw/zinc/77/94/63/570779463.db2.gz FAUTUULPFHJAPP-UHFFFAOYSA-N 0 3 376.283 5.594 10 0 GKAEHN CCCCCCNCc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013717536 570779714 /nfs/dbraw/zinc/77/97/14/570779714.db2.gz IVVDFNMQHJJDAX-UHFFFAOYSA-N 0 3 375.940 5.988 10 0 GKAEHN CCCCOCCCNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000013720156 570779825 /nfs/dbraw/zinc/77/98/25/570779825.db2.gz GQUDZMWGGSAZID-UHFFFAOYSA-N 0 3 391.939 5.224 10 0 GKAEHN CC(C)OCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013722049 570780588 /nfs/dbraw/zinc/78/05/88/570780588.db2.gz VTRKRQQSYRSJBJ-UHFFFAOYSA-N 0 3 386.717 5.267 10 0 GKAEHN CCOc1cccc(CNCCc2ccccc2F)c1OCc1ccccc1F ZINC000013729977 570782837 /nfs/dbraw/zinc/78/28/37/570782837.db2.gz YPFMGVSTDBCHGW-UHFFFAOYSA-N 0 3 397.465 5.275 10 0 GKAEHN COc1ccc(Br)cc1CNCCc1ccc(Cl)cc1Cl ZINC000013722876 570863529 /nfs/dbraw/zinc/86/35/29/570863529.db2.gz AXJHVHRGCMISOZ-UHFFFAOYSA-N 0 3 389.120 5.097 10 0 GKAEHN NCc1ccc2ccccc2c1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725245476 571041057 /nfs/dbraw/zinc/04/10/57/571041057.db2.gz JKOSBHHJCYBLME-UHFFFAOYSA-N 0 3 394.474 5.660 10 0 GKAEHN COc1ccccc1CNCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013720792 210084132 /nfs/dbraw/zinc/08/41/32/210084132.db2.gz UOCPWJIKSQKAHA-UHFFFAOYSA-N 0 3 390.914 5.641 10 0 GKAEHN CCOc1cccc(CNCCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013717452 210082212 /nfs/dbraw/zinc/08/22/12/210082212.db2.gz ZASZODRAXOIDLA-UHFFFAOYSA-N 0 3 395.930 5.650 10 0 GKAEHN CN1CCC[C@@H](CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)C1 ZINC000005699394 209230967 /nfs/dbraw/zinc/23/09/67/209230967.db2.gz LNHXILGMJFWSQG-JOCHJYFZSA-N 0 3 398.550 5.194 10 0 GKAEHN COc1ccccc1C1=C(CN(C)C)[C@@H](c2ccc(F)cc2)c2ccccc2O1 ZINC000001405945 209115040 /nfs/dbraw/zinc/11/50/40/209115040.db2.gz VZKUKPWZTPYYSF-DEOSSOPVSA-N 0 3 389.470 5.332 10 0 GKAEHN CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000538498 206290896 /nfs/dbraw/zinc/29/08/96/206290896.db2.gz KGVYOGLFOPNPDJ-UHFFFAOYSA-N 0 3 383.495 5.351 10 0 investigational GKAEHN COc1cc(-c2nc(CN3CCC[C@@H](c4ccccc4)C3)c(C)o2)ccc1F ZINC000014958554 207032287 /nfs/dbraw/zinc/03/22/87/207032287.db2.gz WRFPGOCSFWCYCN-LJQANCHMSA-N 0 3 380.463 5.177 10 0 GKAEHN COc1cc(Cl)cc(CNCCc2ccc(F)cc2)c1OCc1ccccc1 ZINC000020476772 207196669 /nfs/dbraw/zinc/19/66/69/207196669.db2.gz UAOKZHFEFZCWKN-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN Cc1cc(Br)ccc1-c1ccc(CNCCc2ccccc2F)o1 ZINC000020875937 207217727 /nfs/dbraw/zinc/21/77/27/207217727.db2.gz RMPZNBNIBOLYQI-UHFFFAOYSA-N 0 3 388.280 5.489 10 0 GKAEHN CCCOc1c(Br)cc(Br)cc1CNCCC(C)C ZINC000020929949 207220666 /nfs/dbraw/zinc/22/06/66/207220666.db2.gz AVVAYWQNHRVBAG-UHFFFAOYSA-N 0 3 393.163 5.136 10 0 GKAEHN COc1cc(Br)cc(CNCCC(C)C)c1OCc1ccccc1 ZINC000013724525 221284011 /nfs/dbraw/zinc/28/40/11/221284011.db2.gz WEXAPLUCSAROFM-UHFFFAOYSA-N 0 3 392.337 5.172 10 0 GKAEHN CCCCOCCCNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013720102 221284039 /nfs/dbraw/zinc/28/40/39/221284039.db2.gz VKURBSCJXOBPAR-UHFFFAOYSA-N 0 3 380.326 5.314 10 0 GKAEHN COc1cccc(CNCCC2=CCCCC2)c1OCc1ccccc1Cl ZINC000013723497 221284325 /nfs/dbraw/zinc/28/43/25/221284325.db2.gz RBJBUNJLYVDYAR-UHFFFAOYSA-N 0 3 385.935 5.908 10 0 GKAEHN CC(C)CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000013724195 221284463 /nfs/dbraw/zinc/28/44/63/221284463.db2.gz YKGMEGSTPDUUSL-UHFFFAOYSA-N 0 3 396.756 5.817 10 0 GKAEHN Clc1cc(Br)ccc1-c1ccc(CNCCC2=CCCCC2)o1 ZINC000013723954 221284514 /nfs/dbraw/zinc/28/45/14/221284514.db2.gz RNQOXBLJYBOKJH-UHFFFAOYSA-N 0 3 394.740 6.343 10 0 GKAEHN COCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013722407 221284645 /nfs/dbraw/zinc/28/46/45/221284645.db2.gz KWJUQDCQNROLLF-UHFFFAOYSA-N 0 3 388.722 5.352 10 0 GKAEHN CCCCOCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013719491 221284789 /nfs/dbraw/zinc/28/47/89/221284789.db2.gz FLEFMJKYOZUUHB-UHFFFAOYSA-N 0 3 396.358 5.869 10 0 GKAEHN CCCCCNCc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874584 221515800 /nfs/dbraw/zinc/51/58/00/221515800.db2.gz DQBCUPWSSDLMSF-UHFFFAOYSA-N 0 3 376.338 5.616 10 0 GKAEHN CCN1CCN(c2ccc(-c3cc(Cl)nc4c3CCCCCC4)cc2)CC1 ZINC000211474228 136202986 /nfs/dbraw/zinc/20/29/86/136202986.db2.gz QICQZIUTNROHAI-UHFFFAOYSA-N 0 3 383.967 5.203 10 0 GKAEHN CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000066345707 222139116 /nfs/dbraw/zinc/13/91/16/222139116.db2.gz OYDCCGUPEVEBEG-UHFFFAOYSA-N 0 3 380.532 5.088 10 0 GKAEHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874405 570283152 /nfs/dbraw/zinc/28/31/52/570283152.db2.gz JGOHYSRFWMBGTG-UHFFFAOYSA-N 0 3 391.511 5.271 10 0 GKAEHN Cc1ccc(COc2ccc(Cl)cc2CNCCc2ccccc2F)cc1 ZINC000020875150 570283455 /nfs/dbraw/zinc/28/34/55/570283455.db2.gz FFRGCQNCMRBZRS-UHFFFAOYSA-N 0 3 383.894 5.699 10 0 GKAEHN CCCOc1c(Br)cc(CNCc2ccc(C)cc2)cc1OCC ZINC000020932525 570285268 /nfs/dbraw/zinc/28/52/68/570285268.db2.gz HHJRHCPAXIKSMF-UHFFFAOYSA-N 0 3 392.337 5.235 10 0 GKAEHN CCCOc1c(Br)cc(CN[C@H](C)c2ccccc2)cc1OC ZINC000020932741 570288214 /nfs/dbraw/zinc/28/82/14/570288214.db2.gz NXNIZRUJDIKAEA-CQSZACIVSA-N 0 3 378.310 5.097 10 0 GKAEHN CCN1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936317 570338726 /nfs/dbraw/zinc/33/87/26/570338726.db2.gz RJHSSXPNXBVGRU-LJQANCHMSA-N 0 3 393.358 5.146 10 0 GKAEHN CCN1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936314 570338773 /nfs/dbraw/zinc/33/87/73/570338773.db2.gz UKEROLVKSWACNU-FQEVSTJZSA-N 0 3 393.358 5.146 10 0 GKAEHN CC[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000003683221 570350253 /nfs/dbraw/zinc/35/02/53/570350253.db2.gz JEKQPZGODPLINH-ZGFBMJKBSA-N 0 3 375.487 5.515 10 0 GKAEHN Cc1c(CN[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315504 570568363 /nfs/dbraw/zinc/56/83/63/570568363.db2.gz VKLUTHUSWCMIPO-GOSISDBHSA-N 0 3 388.942 6.502 10 0 GKAEHN COc1cccc(CNCCC2=CCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013723493 570781015 /nfs/dbraw/zinc/78/10/15/570781015.db2.gz FHTPBTOAJCOMEB-UHFFFAOYSA-N 0 3 385.935 5.908 10 0 GKAEHN COc1cccc(CNCCC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013724136 570781019 /nfs/dbraw/zinc/78/10/19/570781019.db2.gz MHBZUNRXOLECSV-UHFFFAOYSA-N 0 3 382.331 5.717 10 0 GKAEHN CCOc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccccc1F ZINC000013729980 570782638 /nfs/dbraw/zinc/78/26/38/570782638.db2.gz SPNZCAPLLSODAY-UHFFFAOYSA-N 0 3 397.465 5.275 10 0 GKAEHN CNCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000019777214 570929617 /nfs/dbraw/zinc/92/96/17/570929617.db2.gz VSBNLDGUEPZWJA-UHFFFAOYSA-N 0 3 375.093 5.054 10 0 GKAEHN Clc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000013721333 210085179 /nfs/dbraw/zinc/08/51/79/210085179.db2.gz LBCLRZDJHLXKIM-UHFFFAOYSA-N 0 3 380.702 6.239 10 0 GKAEHN CCOc1cccc(CNCCCOC)c1OCc1ccc(Cl)cc1Cl ZINC000013722700 210084459 /nfs/dbraw/zinc/08/44/59/210084459.db2.gz QOMDLZUQYXTNBZ-UHFFFAOYSA-N 0 3 398.330 5.097 10 0 GKAEHN COc1ccc(-c2ccc(CNCCc3ccc(Cl)cc3)o2)cc1Cl ZINC000013721344 210084497 /nfs/dbraw/zinc/08/44/97/210084497.db2.gz GTUNWUJIABEMIT-UHFFFAOYSA-N 0 3 376.283 5.594 10 0 GKAEHN CCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013717532 210082535 /nfs/dbraw/zinc/08/25/35/210082535.db2.gz TTZPQRYLIINLRG-UHFFFAOYSA-N 0 3 396.358 6.251 10 0 GKAEHN OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2coc3ccccc23)CC1 ZINC000028878475 212158555 /nfs/dbraw/zinc/15/85/55/212158555.db2.gz WBZXILODXAKGQO-UHFFFAOYSA-N 0 3 376.283 5.223 10 0 GKAEHN Cc1ccc(COc2ccc(Cl)cc2CN[C@@H](C)CCc2ccccc2)cc1 ZINC000013726567 204508661 /nfs/dbraw/zinc/50/86/61/204508661.db2.gz FKTFPJZEKNPRJD-FQEVSTJZSA-N 0 3 393.958 6.338 10 0 GKAEHN Cc1cc(C)n(CCNCc2cc3ccc(Cl)cc3nc2-c2ccsc2)n1 ZINC000299768968 206188461 /nfs/dbraw/zinc/18/84/61/206188461.db2.gz KOPWKUBZTCTSLH-UHFFFAOYSA-N 0 3 396.947 5.220 10 0 GKAEHN C/C(=C/CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000095936789 211284185 /nfs/dbraw/zinc/28/41/85/211284185.db2.gz OOQZQRDZBRIPLQ-ZWSORDCHSA-N 0 3 395.934 5.114 10 0 GKAEHN Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc3cnccc32)cc1C ZINC000014969794 207035718 /nfs/dbraw/zinc/03/57/18/207035718.db2.gz IZZDQYGSHLSOLY-DEOSSOPVSA-N 0 3 382.511 5.205 10 0 GKAEHN Fc1ccc(-c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)cc1 ZINC000014980639 207038836 /nfs/dbraw/zinc/03/88/36/207038836.db2.gz WTPVWCUNLJNANP-UHFFFAOYSA-N 0 3 392.455 5.121 10 0 GKAEHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccn2)C1 ZINC000008624154 221047244 /nfs/dbraw/zinc/04/72/44/221047244.db2.gz YBVVYJMCILXJDR-RTBURBONSA-N 0 3 392.934 5.048 10 0 GKAEHN COc1ccc2cc(CNCc3ccc(F)cc3)c(-c3ccsc3)nc2c1 ZINC000011785651 221125118 /nfs/dbraw/zinc/12/51/18/221125118.db2.gz NXOPRHJPNNZYFH-UHFFFAOYSA-N 0 3 378.472 5.401 10 0 GKAEHN COc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013719285 221283992 /nfs/dbraw/zinc/28/39/92/221283992.db2.gz PWPOBYAGQRTQSL-UHFFFAOYSA-N 0 3 395.930 5.568 10 0 GKAEHN Clc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000013721320 221284474 /nfs/dbraw/zinc/28/44/74/221284474.db2.gz LQVSIVSTJOFQQW-UHFFFAOYSA-N 0 3 390.708 5.695 10 0 GKAEHN COc1cccc(CNCCc2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876186 221515660 /nfs/dbraw/zinc/51/56/60/221515660.db2.gz ZWNVCNYBRRTJSS-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN Cc1cc(CN2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)oc1C ZINC000012612759 524675073 /nfs/dbraw/zinc/67/50/73/524675073.db2.gz SYJBXJVPKGTAPA-UHFFFAOYSA-N 0 3 378.472 5.007 10 0 GKAEHN Cc1ccc(COc2ccc3ccccc3c2CNCc2ccc(F)cc2)cc1 ZINC000020874218 570283028 /nfs/dbraw/zinc/28/30/28/570283028.db2.gz UXBLNOJAPHBTMD-UHFFFAOYSA-N 0 3 385.482 6.156 10 0 GKAEHN CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874361 570283192 /nfs/dbraw/zinc/28/31/92/570283192.db2.gz WORGOJBUGSIRPP-UHFFFAOYSA-N 0 3 379.475 5.402 10 0 GKAEHN CCN1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936312 570338780 /nfs/dbraw/zinc/33/87/80/570338780.db2.gz UKEROLVKSWACNU-HXUWFJFHSA-N 0 3 393.358 5.146 10 0 GKAEHN Cc1c(CN[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315503 570568340 /nfs/dbraw/zinc/56/83/40/570568340.db2.gz VKLUTHUSWCMIPO-SFHVURJKSA-N 0 3 388.942 6.502 10 0 GKAEHN COc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013718923 570779512 /nfs/dbraw/zinc/77/95/12/570779512.db2.gz NBIWELDFRCXKPH-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN COc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013718901 570779631 /nfs/dbraw/zinc/77/96/31/570779631.db2.gz FOIZQZSAIUJENO-UHFFFAOYSA-N 0 3 381.903 5.260 10 0 GKAEHN CCCCOCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013719786 570780164 /nfs/dbraw/zinc/78/01/64/570780164.db2.gz ZEPYHLSLESPFHQ-UHFFFAOYSA-N 0 3 396.358 5.869 10 0 GKAEHN COc1c(Cl)cc(Cl)cc1CNCCc1ccc(Cl)cc1Cl ZINC000013723104 570780881 /nfs/dbraw/zinc/78/08/81/570780881.db2.gz YOXICNOVMMPGMT-UHFFFAOYSA-N 0 3 379.114 5.641 10 0 GKAEHN Clc1ccc(COc2ccc(Cl)cc2CNCCC2=CCCCC2)cc1 ZINC000013723682 570781044 /nfs/dbraw/zinc/78/10/44/570781044.db2.gz QKZVFGDGANMUTJ-UHFFFAOYSA-N 0 3 390.354 6.553 10 0 GKAEHN CCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013731759 210085706 /nfs/dbraw/zinc/08/57/06/210085706.db2.gz AKLZSPLLJUMVGE-UHFFFAOYSA-N 0 3 382.331 5.861 10 0 GKAEHN CCC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724826 210084963 /nfs/dbraw/zinc/08/49/63/210084963.db2.gz BGIBZJGUXQUEHQ-UHFFFAOYSA-N 0 3 386.750 6.504 10 0 GKAEHN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCCCCCO)cc1 ZINC000013727234 210085051 /nfs/dbraw/zinc/08/50/51/210085051.db2.gz CFSCTGCTYGILQT-UHFFFAOYSA-N 0 3 382.331 5.133 10 0 GKAEHN Clc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000013720895 210084824 /nfs/dbraw/zinc/08/48/24/210084824.db2.gz FATGKHKMVUPZLM-UHFFFAOYSA-N 0 3 386.322 5.905 10 0 GKAEHN C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468155 210062879 /nfs/dbraw/zinc/06/28/79/210062879.db2.gz NTQGEZJOMVFLMK-YCXHYSRHSA-N 0 3 375.487 5.468 10 0 GKAEHN COc1ccccc1C1=C(CN(C)C)[C@H](c2ccc(F)cc2)c2ccccc2O1 ZINC000001405943 212061042 /nfs/dbraw/zinc/06/10/42/212061042.db2.gz VZKUKPWZTPYYSF-XMMPIXPASA-N 0 3 389.470 5.332 10 0 GKAEHN c1c(-c2ccccc2)noc1N(CCCN1CCCCC1)Cc1ccccc1 ZINC000006096247 204164115 /nfs/dbraw/zinc/16/41/15/204164115.db2.gz XUXAULMFAAVOKM-UHFFFAOYSA-N 0 3 375.516 5.224 10 0 GKAEHN COc1cc(Cl)cc(CNC(C)(C)CC(C)(C)C)c1OCc1ccccc1 ZINC000010475336 204335477 /nfs/dbraw/zinc/33/54/77/204335477.db2.gz LHLYLOWUPYKWPZ-UHFFFAOYSA-N 0 3 389.967 6.232 10 0 GKAEHN CCCCCNCc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474803 204335653 /nfs/dbraw/zinc/33/56/53/204335653.db2.gz FBFAQPGAYSTUNY-UHFFFAOYSA-N 0 3 392.337 5.317 10 0 GKAEHN COc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccc(C)cc1 ZINC000013721383 204507354 /nfs/dbraw/zinc/50/73/54/204507354.db2.gz PAQHHYRVXDNEGJ-UHFFFAOYSA-N 0 3 395.930 5.568 10 0 GKAEHN Nc1cccc2c1CN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000090558144 206297721 /nfs/dbraw/zinc/29/77/21/206297721.db2.gz VFTFKYNCEVBRLI-UHFFFAOYSA-N 0 3 392.493 5.517 10 0 GKAEHN CCCCCCNCc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874586 207217243 /nfs/dbraw/zinc/21/72/43/207217243.db2.gz GUNFOXGUIPOGLC-UHFFFAOYSA-N 0 3 390.365 6.006 10 0 GKAEHN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 ZINC000038002972 207249584 /nfs/dbraw/zinc/24/95/84/207249584.db2.gz OLBUVTXMLMFTJP-NXEZZACHSA-N 0 3 378.257 5.941 10 0 GKAEHN CCN1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936320 207265690 /nfs/dbraw/zinc/26/56/90/207265690.db2.gz RJHSSXPNXBVGRU-IBGZPJMESA-N 0 3 393.358 5.146 10 0 GKAEHN CCCCCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1[O-] ZINC000100130104 208371956 /nfs/dbraw/zinc/37/19/56/208371956.db2.gz VKMHRASEXLDXMS-ZHRRBRCNSA-N 0 3 389.555 5.999 10 0 GKAEHN C[C@@H](CCc1ccccc1)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013725836 221283911 /nfs/dbraw/zinc/28/39/11/221283911.db2.gz ZQUCRVYLDLZABZ-IBGZPJMESA-N 0 3 379.931 6.030 10 0 GKAEHN CCOc1c(CNCCc2ccc(Cl)cc2Cl)cc(Cl)cc1OC ZINC000013723314 221284083 /nfs/dbraw/zinc/28/40/83/221284083.db2.gz VZFRFEPGCZAIFC-UHFFFAOYSA-N 0 3 388.722 5.386 10 0 GKAEHN COc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccc(F)cc1 ZINC000013720994 221284111 /nfs/dbraw/zinc/28/41/11/221284111.db2.gz OGXRBSILJCELQC-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN COc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccccc1 ZINC000013720937 221284202 /nfs/dbraw/zinc/28/42/02/221284202.db2.gz QTYFWDAUAMQILB-UHFFFAOYSA-N 0 3 381.903 5.260 10 0 GKAEHN Clc1ccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000013723149 221284250 /nfs/dbraw/zinc/28/42/50/221284250.db2.gz VEHWSZCAIQXGLA-UHFFFAOYSA-N 0 3 380.702 6.239 10 0 GKAEHN CCOc1cccc(CN[C@H](C)CC)c1OCc1ccc(Cl)cc1Cl ZINC000013717556 221284470 /nfs/dbraw/zinc/28/44/70/221284470.db2.gz XTNPUELWEFEWKS-CQSZACIVSA-N 0 3 382.331 5.859 10 0 GKAEHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874969 570283078 /nfs/dbraw/zinc/28/30/78/570283078.db2.gz QEPQXIHEMLMBSX-UHFFFAOYSA-N 0 3 387.932 5.587 10 0 GKAEHN Clc1cc(Br)ccc1-c1ccc(CNCCc2ccccc2)o1 ZINC000020875617 570283371 /nfs/dbraw/zinc/28/33/71/570283371.db2.gz GKIZEACDQJGOPY-UHFFFAOYSA-N 0 3 390.708 5.695 10 0 GKAEHN CCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876215 570283439 /nfs/dbraw/zinc/28/34/39/570283439.db2.gz WSWGGRXQZXFQQR-UHFFFAOYSA-N 0 3 379.903 5.737 10 0 GKAEHN CCCOc1ccc(Br)cc1CNCCc1ccc(Cl)cc1 ZINC000020929495 570288233 /nfs/dbraw/zinc/28/82/33/570288233.db2.gz BAEYYHLCUHZZQI-UHFFFAOYSA-N 0 3 382.729 5.224 10 0 GKAEHN C[C@@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 ZINC000010473907 570571201 /nfs/dbraw/zinc/57/12/01/570571201.db2.gz VUAPKUJRQYSQTC-QGZVFWFLSA-N 0 3 396.328 5.879 10 0 GKAEHN Cc1nn(C)cc1CNCc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 ZINC000012080286 570605695 /nfs/dbraw/zinc/60/56/95/570605695.db2.gz XQUHMAAATYPTAC-UHFFFAOYSA-N 0 3 390.918 5.195 10 0 GKAEHN C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468148 570755300 /nfs/dbraw/zinc/75/53/00/570755300.db2.gz NTQGEZJOMVFLMK-UWCPCEDSSA-N 0 3 375.487 5.468 10 0 GKAEHN CC[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468157 570755684 /nfs/dbraw/zinc/75/56/84/570755684.db2.gz JEKQPZGODPLINH-ZYQDXHPFSA-N 0 3 375.487 5.515 10 0 GKAEHN COc1ccccc1CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013719172 570779594 /nfs/dbraw/zinc/77/95/94/570779594.db2.gz OLTWJNVYTDMCJP-UHFFFAOYSA-N 0 3 376.283 5.594 10 0 GKAEHN COc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccccc1F ZINC000013720991 570780429 /nfs/dbraw/zinc/78/04/29/570780429.db2.gz ABSMMSSIUGFQSW-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN CCOc1cccc(CNCCCOC(C)C)c1OCc1ccccc1Cl ZINC000013722143 570780518 /nfs/dbraw/zinc/78/05/18/570780518.db2.gz BZWNZRXVZZHRLZ-UHFFFAOYSA-N 0 3 391.939 5.222 10 0 GKAEHN CC(C)OCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013721788 570780599 /nfs/dbraw/zinc/78/05/99/570780599.db2.gz PEMDMLRLYRRUSA-UHFFFAOYSA-N 0 3 382.331 5.477 10 0 GKAEHN CCOc1cccc(CNCCC2=CCCCC2)c1OCc1ccccc1Cl ZINC000013724042 570780946 /nfs/dbraw/zinc/78/09/46/570780946.db2.gz BNBQDPPSTVTHQB-UHFFFAOYSA-N 0 3 399.962 6.298 10 0 GKAEHN Fc1cccc(CNCc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)c1 ZINC000014974876 210138350 /nfs/dbraw/zinc/13/83/50/210138350.db2.gz KZMUKWOUIZXTBQ-UHFFFAOYSA-N 0 3 392.455 5.121 10 0 GKAEHN COc1cc(-c2nc(CN3CCC[C@H](c4ccccc4)C3)c(C)o2)ccc1F ZINC000014958558 210133512 /nfs/dbraw/zinc/13/35/12/210133512.db2.gz WRFPGOCSFWCYCN-IBGZPJMESA-N 0 3 380.463 5.177 10 0 GKAEHN Clc1ccc(CCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000013721309 210084911 /nfs/dbraw/zinc/08/49/11/210084911.db2.gz PEHHWHMCXJUQAY-UHFFFAOYSA-N 0 3 380.702 6.239 10 0 GKAEHN C[C@@H](CCc1ccccc1)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000013725878 210084740 /nfs/dbraw/zinc/08/47/40/210084740.db2.gz NRWZDGVIHDFOIN-SFHVURJKSA-N 0 3 397.921 6.169 10 0 GKAEHN CCOc1cccc(CNCCc2ccccc2)c1OCc1ccccc1F ZINC000013729908 210084312 /nfs/dbraw/zinc/08/43/12/210084312.db2.gz RDOCWAOXPKUCSI-UHFFFAOYSA-N 0 3 379.475 5.136 10 0 GKAEHN CCCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013717534 210082911 /nfs/dbraw/zinc/08/29/11/210082911.db2.gz BHTXBDMVNBANFL-UHFFFAOYSA-N 0 3 375.940 5.988 10 0 GKAEHN CCOc1ccc(Sc2nc3ccccc3n2CCN2CCCCC2)cc1 ZINC000002019624 209343343 /nfs/dbraw/zinc/34/33/43/209343343.db2.gz WRBJMWUKYHOUAH-UHFFFAOYSA-N 0 3 381.545 5.072 10 0 GKAEHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2 ZINC000000598255 209226418 /nfs/dbraw/zinc/22/64/18/209226418.db2.gz PMBLXLOXUGVTGB-UHFFFAOYSA-N 0 3 376.544 5.310 10 0 investigational GKAEHN CN(C)CCS[C@@H](c1ccccc1)c1ccc(Sc2ccccc2)cc1 ZINC000005689056 204145398 /nfs/dbraw/zinc/14/53/98/204145398.db2.gz NHPYPSAPHMSKFP-QHCPKHFHSA-N 0 3 379.594 6.222 10 0 GKAEHN CN(C)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000059696570 206101673 /nfs/dbraw/zinc/10/16/73/206101673.db2.gz WBNUHWUTAHSPER-UHFFFAOYSA-N 0 3 384.951 5.200 10 0 GKAEHN CCNCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000040739466 211188661 /nfs/dbraw/zinc/18/86/61/211188661.db2.gz HYOKFKUTTVDDSO-UHFFFAOYSA-N 0 3 389.120 5.444 10 0 GKAEHN Cc1ccc(COc2ccc(Br)cc2CNCCC(C)C)cc1 ZINC000013724461 206994290 /nfs/dbraw/zinc/99/42/90/206994290.db2.gz DAPICLMIZSQILD-UHFFFAOYSA-N 0 3 376.338 5.472 10 0 GKAEHN COc1ccc(CNCc2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000020874266 207216408 /nfs/dbraw/zinc/21/64/08/207216408.db2.gz CANWPNFJXZGCOJ-UHFFFAOYSA-N 0 3 397.518 6.026 10 0 GKAEHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874297 207217050 /nfs/dbraw/zinc/21/70/50/207217050.db2.gz PKPNWKQBFRZVHT-FQEVSTJZSA-N 0 3 375.512 5.824 10 0 GKAEHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874299 207217237 /nfs/dbraw/zinc/21/72/37/207217237.db2.gz PKPNWKQBFRZVHT-HXUWFJFHSA-N 0 3 375.512 5.824 10 0 GKAEHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874954 207217828 /nfs/dbraw/zinc/21/78/28/207217828.db2.gz ACSJCXGLJBXGQB-SFHVURJKSA-N 0 3 395.930 6.087 10 0 GKAEHN Cc1cc(-c2ccc(CNCCc3ccccc3F)o2)ccc1Br ZINC000020875807 207217841 /nfs/dbraw/zinc/21/78/41/207217841.db2.gz UIAWDIDQLXKCFT-UHFFFAOYSA-N 0 3 388.280 5.489 10 0 GKAEHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874937 210365624 /nfs/dbraw/zinc/36/56/24/210365624.db2.gz PSTCYPYIDPUNBE-UHFFFAOYSA-N 0 3 381.903 5.526 10 0 GKAEHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875057 210364857 /nfs/dbraw/zinc/36/48/57/210364857.db2.gz CXYYXYJUXJWRGZ-UHFFFAOYSA-N 0 3 395.930 5.834 10 0 GKAEHN CCOc1cccc(CNCCCOC(C)C)c1OCc1ccc(Cl)cc1 ZINC000013722152 221284388 /nfs/dbraw/zinc/28/43/88/221284388.db2.gz SBHNKTIQARWXNP-UHFFFAOYSA-N 0 3 391.939 5.222 10 0 GKAEHN CCCCOCCCNCc1cccc(OCC)c1OCc1ccccc1F ZINC000013720194 221284691 /nfs/dbraw/zinc/28/46/91/221284691.db2.gz RACZIJUNACPARG-UHFFFAOYSA-N 0 3 389.511 5.100 10 0 GKAEHN C[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000095934663 222361515 /nfs/dbraw/zinc/36/15/15/222361515.db2.gz OFRKRBWJTKWLST-SFTDATJTSA-N 0 3 387.523 5.448 10 0 GKAEHN COc1cccc(CNCCc2ccccc2F)c1OCc1ccc(C)cc1 ZINC000020873977 570283143 /nfs/dbraw/zinc/28/31/43/570283143.db2.gz UEZKIGCZHVJKRA-UHFFFAOYSA-N 0 3 379.475 5.054 10 0 GKAEHN CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874403 570283175 /nfs/dbraw/zinc/28/31/75/570283175.db2.gz KPSDBTUPTRPCIN-UHFFFAOYSA-N 0 3 375.512 5.571 10 0 GKAEHN Cc1cc(-c2ccc(CNCCc3ccc(F)cc3)o2)ccc1Br ZINC000020875809 570283491 /nfs/dbraw/zinc/28/34/91/570283491.db2.gz BIYRNRAJPZUVMV-UHFFFAOYSA-N 0 3 388.280 5.489 10 0 GKAEHN COc1ccccc1CCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013719330 570779503 /nfs/dbraw/zinc/77/95/03/570779503.db2.gz OBYJNLKPVRNQEM-UHFFFAOYSA-N 0 3 375.390 5.306 10 0 GKAEHN CCOc1cccc(CNCCc2ccccc2)c1OCc1ccccc1Cl ZINC000013717454 570779671 /nfs/dbraw/zinc/77/96/71/570779671.db2.gz AHXMPWPEYCTTKN-UHFFFAOYSA-N 0 3 395.930 5.650 10 0 GKAEHN CCCCOCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013719796 570780017 /nfs/dbraw/zinc/78/00/17/570780017.db2.gz FXLXNIHWIOFFHG-UHFFFAOYSA-N 0 3 379.903 5.355 10 0 GKAEHN CC(C)OCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013721791 570780464 /nfs/dbraw/zinc/78/04/64/570780464.db2.gz YBHBWIDNBMMBMU-UHFFFAOYSA-N 0 3 382.331 5.477 10 0 GKAEHN Clc1ccc(CCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000013721314 570780612 /nfs/dbraw/zinc/78/06/12/570780612.db2.gz HBPJSOIFYVCBHZ-UHFFFAOYSA-N 0 3 380.702 6.239 10 0 GKAEHN Cc1ccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000013723286 570780815 /nfs/dbraw/zinc/78/08/15/570780815.db2.gz LVKGUIJFLNISNZ-UHFFFAOYSA-N 0 3 394.729 6.548 10 0 GKAEHN Clc1cccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)c1 ZINC000013723155 570780898 /nfs/dbraw/zinc/78/08/98/570780898.db2.gz CXGDZXOOHIDSMM-UHFFFAOYSA-N 0 3 380.702 6.239 10 0 GKAEHN Clc1ccc(COc2ccccc2CNCCC2=CCCCC2)c(Cl)c1 ZINC000013723442 570780974 /nfs/dbraw/zinc/78/09/74/570780974.db2.gz USWGHMAMQHAAQD-UHFFFAOYSA-N 0 3 390.354 6.553 10 0 GKAEHN CC(C)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724289 570781418 /nfs/dbraw/zinc/78/14/18/570781418.db2.gz COOFPNPTWDFVMN-UHFFFAOYSA-N 0 3 386.750 6.362 10 0 GKAEHN C[C@H](CCc1ccccc1)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000013725882 570781673 /nfs/dbraw/zinc/78/16/73/570781673.db2.gz NRWZDGVIHDFOIN-GOSISDBHSA-N 0 3 397.921 6.169 10 0 GKAEHN Cc1ccc(COc2ccc(Cl)cc2CN[C@H](C)CCc2ccccc2)cc1 ZINC000013726570 570781799 /nfs/dbraw/zinc/78/17/99/570781799.db2.gz FKTFPJZEKNPRJD-HXUWFJFHSA-N 0 3 393.958 6.338 10 0 GKAEHN CC[C@@H](C)NCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730690 570782699 /nfs/dbraw/zinc/78/26/99/570782699.db2.gz ROJJBCBVPYBFGO-SNVBAGLBSA-N 0 3 387.115 5.360 10 0 GKAEHN CC(C)(C)OC(=O)N1CCCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC000498051067 570905146 /nfs/dbraw/zinc/90/51/46/570905146.db2.gz IAXKPEINBWEYMS-UHFFFAOYSA-N 0 3 392.543 5.109 10 0 GKAEHN CC[C@H](C)NCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730693 210086385 /nfs/dbraw/zinc/08/63/85/210086385.db2.gz ROJJBCBVPYBFGO-JTQLQIEISA-N 0 3 387.115 5.360 10 0 GKAEHN COc1cc(Cl)cc(CNCCC2=CCCCC2)c1OCc1ccccc1 ZINC000013724013 210084080 /nfs/dbraw/zinc/08/40/80/210084080.db2.gz NATWCCZOXNLLQC-UHFFFAOYSA-N 0 3 385.935 5.908 10 0 GKAEHN CCc1c(Nc2ccc(C)cc2)nc2ccc(C)cc2c1Nc1ccc(C)cc1 ZINC000005585253 204141856 /nfs/dbraw/zinc/14/18/56/204141856.db2.gz XNQXSPSLINLAAX-UHFFFAOYSA-N 0 3 381.523 7.210 10 0 GKAEHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874796 207216695 /nfs/dbraw/zinc/21/66/95/207216695.db2.gz KSKKFNKRJXVWBQ-UHFFFAOYSA-N 0 3 395.930 5.916 10 0 GKAEHN OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000028878336 207349384 /nfs/dbraw/zinc/34/93/84/207349384.db2.gz KEAJISWSTUQSFY-UHFFFAOYSA-N 0 3 382.507 5.319 10 0 GKAEHN CCOc1cccc(CNC2CCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000013717444 221284337 /nfs/dbraw/zinc/28/43/37/221284337.db2.gz JZWVCWVAXBKZEW-UHFFFAOYSA-N 0 3 394.342 6.003 10 0 GKAEHN CCCCOCCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000013719552 221284631 /nfs/dbraw/zinc/28/46/31/221284631.db2.gz AXIKIKHNFLBHMB-UHFFFAOYSA-N 0 3 391.939 5.224 10 0 GKAEHN CCOc1cccc(CNC(C)(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013730067 221285302 /nfs/dbraw/zinc/28/53/02/221285302.db2.gz UJDVWIZCFYXUOM-UHFFFAOYSA-N 0 3 382.331 5.859 10 0 GKAEHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874956 570282989 /nfs/dbraw/zinc/28/29/89/570282989.db2.gz ACSJCXGLJBXGQB-GOSISDBHSA-N 0 3 395.930 6.087 10 0 GKAEHN Cc1cc(Br)ccc1-c1ccc(CNCCc2ccc(F)cc2)o1 ZINC000020875939 570283339 /nfs/dbraw/zinc/28/33/39/570283339.db2.gz HHMUFVHOKKXUCJ-UHFFFAOYSA-N 0 3 388.280 5.489 10 0 GKAEHN CCCCCNCc1cc(Br)cc(Br)c1OCCC ZINC000020929705 570285390 /nfs/dbraw/zinc/28/53/90/570285390.db2.gz PYCLHXRRCPMGIL-UHFFFAOYSA-N 0 3 393.163 5.280 10 0 GKAEHN CCCOc1c(Br)cc(Br)cc1CNC(C)(C)CC ZINC000020929956 570285417 /nfs/dbraw/zinc/28/54/17/570285417.db2.gz TWRRPBWPDSBLDV-UHFFFAOYSA-N 0 3 393.163 5.279 10 0 GKAEHN CCCOc1c(Br)cc(CN[C@@H](C)c2ccccc2)cc1OC ZINC000020932735 570288303 /nfs/dbraw/zinc/28/83/03/570288303.db2.gz NXNIZRUJDIKAEA-AWEZNQCLSA-N 0 3 378.310 5.097 10 0 GKAEHN Cc1c(CNCc2ccc(C)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315661 570568323 /nfs/dbraw/zinc/56/83/23/570568323.db2.gz MSZALSRGZVBXPT-UHFFFAOYSA-N 0 3 388.942 6.250 10 0 GKAEHN Clc1ccc(CCNCc2ccc(-c3ccccc3Cl)o2)c(Cl)c1 ZINC000013723270 570780940 /nfs/dbraw/zinc/78/09/40/570780940.db2.gz JVPGRQPFXXIBDS-UHFFFAOYSA-N 0 3 380.702 6.239 10 0 GKAEHN C[C@H](CCc1ccccc1)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013725874 570781741 /nfs/dbraw/zinc/78/17/41/570781741.db2.gz FFDFQGOQODETOW-GOSISDBHSA-N 0 3 397.921 6.169 10 0 GKAEHN Cc1c(Cl)cccc1-c1ccc(CNCCc2ccc(Cl)cc2Cl)o1 ZINC000013723173 210084982 /nfs/dbraw/zinc/08/49/82/210084982.db2.gz JKYYKMMKOHZYKP-UHFFFAOYSA-N 0 3 394.729 6.548 10 0 GKAEHN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCCCOC(C)C)cc1 ZINC000013722023 210084667 /nfs/dbraw/zinc/08/46/67/210084667.db2.gz UCCLXOSOOGQJKA-UHFFFAOYSA-N 0 3 396.358 5.786 10 0 GKAEHN CCOc1cccc(CNCCC2=CCCCC2)c1OCc1ccccc1F ZINC000013724045 210084181 /nfs/dbraw/zinc/08/41/81/210084181.db2.gz CFAJYHYXKNEIBF-UHFFFAOYSA-N 0 3 383.507 5.784 10 0 GKAEHN Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1 ZINC000012135918 204373750 /nfs/dbraw/zinc/37/37/50/204373750.db2.gz QUDOFIPEDCLSHP-XPUAEESYSA-N 0 3 387.502 5.484 10 0 GKAEHN OC[C@@]1(CCc2ccccc2)CCCN(Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000012308120 204393727 /nfs/dbraw/zinc/39/37/27/204393727.db2.gz VMRSRYPFHSDYDM-XMMPIXPASA-N 0 3 394.946 5.096 10 0 GKAEHN CC[C@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468159 206976509 /nfs/dbraw/zinc/97/65/09/206976509.db2.gz JEKQPZGODPLINH-FQUZAXHOSA-N 0 3 375.487 5.515 10 0 GKAEHN COc1ccc(CCNCc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1OC ZINC000020876585 207218090 /nfs/dbraw/zinc/21/80/90/207218090.db2.gz DACHDBLIOYMMOM-UHFFFAOYSA-N 0 3 385.891 5.258 10 0 GKAEHN Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C1Cc3ccccc3C1)C2 ZINC000023129078 207270532 /nfs/dbraw/zinc/27/05/32/207270532.db2.gz INTZTNXMTCXSRM-UHFFFAOYSA-N 0 3 391.898 5.074 10 0 GKAEHN C[C@H](CCc1ccccc1)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013725840 221284179 /nfs/dbraw/zinc/28/41/79/221284179.db2.gz ZQUCRVYLDLZABZ-LJQANCHMSA-N 0 3 379.931 6.030 10 0 GKAEHN CC(C)CCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000013724204 221284285 /nfs/dbraw/zinc/28/42/85/221284285.db2.gz HJTVYZSCTBPPMO-UHFFFAOYSA-N 0 3 396.756 5.817 10 0 GKAEHN Clc1ccc(OCc2ccccc2Cl)c(CNCCC2=CCCCC2)c1 ZINC000013723685 221284354 /nfs/dbraw/zinc/28/43/54/221284354.db2.gz DQJYNEWHWSFNHP-UHFFFAOYSA-N 0 3 390.354 6.553 10 0 GKAEHN COc1cccc(-c2nc3cc(F)ccc3cc2CNCc2ccsc2)c1 ZINC000015007600 221325863 /nfs/dbraw/zinc/32/58/63/221325863.db2.gz YAFNGHDVNCCRCQ-UHFFFAOYSA-N 0 3 378.472 5.401 10 0 GKAEHN c1cc2c(s1)CN(C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2 ZINC000095093217 222330688 /nfs/dbraw/zinc/33/06/88/222330688.db2.gz CEJDAUDGCKNHSX-UHFFFAOYSA-N 0 3 381.544 6.098 10 0 GKAEHN CCCOc1c(Cl)cc(Cl)cc1CNCCc1c[nH]c2ccccc12 ZINC000020930254 570285245 /nfs/dbraw/zinc/28/52/45/570285245.db2.gz FOMOFHILPHXWCD-UHFFFAOYSA-N 0 3 377.315 5.596 10 0 GKAEHN COc1ccccc1CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013719147 570779575 /nfs/dbraw/zinc/77/95/75/570779575.db2.gz GNWSZEZOMPHEEF-UHFFFAOYSA-N 0 3 376.283 5.594 10 0 GKAEHN COc1ccccc1CCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000013719158 570779659 /nfs/dbraw/zinc/77/96/59/570779659.db2.gz HJMXUVTWMFJQSJ-UHFFFAOYSA-N 0 3 386.289 5.050 10 0 GKAEHN COc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000013718930 570779677 /nfs/dbraw/zinc/77/96/77/570779677.db2.gz FUYCZZSMHPPWAV-UHFFFAOYSA-N 0 3 399.893 5.399 10 0 GKAEHN CCCCOCCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000013719801 570779980 /nfs/dbraw/zinc/77/99/80/570779980.db2.gz ZHFDLRZPOBBIGN-UHFFFAOYSA-N 0 3 379.903 5.355 10 0 GKAEHN CCOc1cccc(CNCCC2=CCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013724051 570780823 /nfs/dbraw/zinc/78/08/23/570780823.db2.gz CTKZTZHJIOHQIW-UHFFFAOYSA-N 0 3 399.962 6.298 10 0 GKAEHN CCOc1cccc(CNCCC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013724558 570781358 /nfs/dbraw/zinc/78/13/58/570781358.db2.gz QFJGMGKHJPIWNK-UHFFFAOYSA-N 0 3 396.358 6.107 10 0 GKAEHN CCCCOCCCNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000013720098 210085199 /nfs/dbraw/zinc/08/51/99/210085199.db2.gz VRSYWUKSEDGUII-UHFFFAOYSA-N 0 3 380.326 5.314 10 0 GKAEHN CCC(C)(C)NCc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000013725144 210084532 /nfs/dbraw/zinc/08/45/32/210084532.db2.gz FCOGBZMGLYJGFR-UHFFFAOYSA-N 0 3 392.337 5.315 10 0 GKAEHN COc1ccccc1CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000013718596 210082655 /nfs/dbraw/zinc/08/26/55/210082655.db2.gz WOKXDACCOKJVFG-UHFFFAOYSA-N 0 3 381.903 5.260 10 0 GKAEHN