smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164392239 718826106 /nfs/dbraw/zinc/82/61/06/718826106.db2.gz ZNJJRLPXHDXFJB-OALUTQOASA-N 0 3 430.886 4.062 20 0 IIADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164623327 719114474 /nfs/dbraw/zinc/11/44/74/719114474.db2.gz CMJJMTRBORUMOV-HZPDHXFCSA-N 0 3 449.958 4.471 20 0 IIADHN COc1cc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2cc1OC ZINC001164696599 719893635 /nfs/dbraw/zinc/89/36/35/719893635.db2.gz GERHQQDBFMQUIP-UHFFFAOYSA-N 0 3 439.581 4.185 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164767612 721097696 /nfs/dbraw/zinc/09/76/96/721097696.db2.gz MNZJSPYKMDALAS-PMACEKPBSA-N 0 3 430.581 4.050 20 0 IIADHN c1ccc(CSc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164878939 721159311 /nfs/dbraw/zinc/15/93/11/721159311.db2.gz RAGJHKMQJVXUGX-DHIUTWEWSA-N 0 3 432.593 4.249 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872175 721166628 /nfs/dbraw/zinc/16/66/28/721166628.db2.gz GRWOIPVGPGEUBH-SFTDATJTSA-N 0 3 449.986 4.289 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164767633 721184046 /nfs/dbraw/zinc/18/40/46/721184046.db2.gz KFYMIQPOUHCFSN-SFTDATJTSA-N 0 3 437.975 4.006 20 0 IIADHN Cc1ccc(-c2nnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164773896 721192663 /nfs/dbraw/zinc/19/26/63/721192663.db2.gz XXYATHIGIWJLAV-PKTZIBPZSA-N 0 3 438.579 4.297 20 0 IIADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CCN3C2)c1 ZINC001164903836 721531756 /nfs/dbraw/zinc/53/17/56/721531756.db2.gz DGTIDJIBRGKHEY-QUCCMNQESA-N 0 3 429.499 4.106 20 0 IIADHN FC1(F)CCN(c2cc3ccc(Cl)nc3cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906534 721708091 /nfs/dbraw/zinc/70/80/91/721708091.db2.gz MPAZTMFHAXRPBU-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2ncnc3sc4c(c32)CCC4)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906924 721723462 /nfs/dbraw/zinc/72/34/62/721723462.db2.gz PAFJXMOEXXKVGX-QFIPXVFZSA-N 0 3 441.551 4.313 20 0 IIADHN Cc1csc2nc(C)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164909822 721730182 /nfs/dbraw/zinc/73/01/82/721730182.db2.gz DUWZAPZLGHYJAJ-NRFANRHFSA-N 0 3 429.540 4.441 20 0 IIADHN CSc1ccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913842 721735039 /nfs/dbraw/zinc/73/50/39/721735039.db2.gz YVWQRXYGUSMBBF-QFIPXVFZSA-N 0 3 441.551 4.484 20 0 IIADHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001165025309 721820295 /nfs/dbraw/zinc/82/02/95/721820295.db2.gz MGLAVWMUJJLESZ-FVQBIDKESA-N 0 3 439.963 4.096 20 0 IIADHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001165025309 721820297 /nfs/dbraw/zinc/82/02/97/721820297.db2.gz MGLAVWMUJJLESZ-FVQBIDKESA-N 0 3 439.963 4.096 20 0 IIADHN Clc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2ccsc2n1 ZINC001164963229 722054800 /nfs/dbraw/zinc/05/48/00/722054800.db2.gz JDOSEYSFBJPDOT-UHFFFAOYSA-N 0 3 428.989 4.464 20 0 IIADHN Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963473 722058647 /nfs/dbraw/zinc/05/86/47/722058647.db2.gz ZMTVWAHRBQFUIA-UHFFFAOYSA-N 0 3 435.616 4.347 20 0 IIADHN FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985826 722101465 /nfs/dbraw/zinc/10/14/65/722101465.db2.gz XBMFDKXVGUEJHK-NVXWUHKLSA-N 0 3 443.325 4.056 20 0 IIADHN Cc1cccc(Sc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164981783 722135158 /nfs/dbraw/zinc/13/51/58/722135158.db2.gz QLODRBAFNFMXIS-FYYLOGMGSA-N 0 3 447.608 4.059 20 0 IIADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164997451 722210919 /nfs/dbraw/zinc/21/09/19/722210919.db2.gz QJYWUGKBZCYCFV-AREMUKBSSA-N 0 3 429.543 4.411 20 0 IIADHN Cc1ccccc1C[C@H](CO)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000466903318 1126094020 /nfs/dbraw/zinc/09/40/20/1126094020.db2.gz SAAXXMQXVBYSEV-JOCHJYFZSA-N 0 3 441.369 4.425 20 0 IIADHN CCO[C@H]1C[C@](CO)(NCc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025625 1126157125 /nfs/dbraw/zinc/15/71/25/1126157125.db2.gz XSCWQMKUYWVEET-QFBILLFUSA-N 0 3 425.392 4.228 20 0 IIADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@](C)(CO)Cc1ccccc1F ZINC001308480148 1126167043 /nfs/dbraw/zinc/16/70/43/1126167043.db2.gz TVKHKHLGQAKVPY-NRFANRHFSA-N 0 3 432.337 4.166 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2cc(Br)ccc2Cl)cc1OC ZINC001460869384 1126193024 /nfs/dbraw/zinc/19/30/24/1126193024.db2.gz NXRAAHPOZLVAFP-IBGZPJMESA-N 0 3 428.754 4.203 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2cc(Br)ccc2OC(F)F)cc1 ZINC001473838142 1126199056 /nfs/dbraw/zinc/19/90/56/1126199056.db2.gz DCTRYOCRLMHRKQ-LJQANCHMSA-N 0 3 430.289 4.142 20 0 IIADHN Cc1cc(Br)c(CN[C@@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001560458633 1126211007 /nfs/dbraw/zinc/21/10/07/1126211007.db2.gz ABDGVFSEEBHDED-OAHLLOKOSA-N 0 3 431.143 4.352 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2c(Br)c3ccccc3n2C)cc1OC ZINC001621057890 1126245803 /nfs/dbraw/zinc/24/58/03/1126245803.db2.gz WTOPJQMHDYKOFI-QFIPXVFZSA-N 0 3 447.373 4.041 20 0 IIADHN COC(=O)c1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627932 719070369 /nfs/dbraw/zinc/07/03/69/719070369.db2.gz RLQGTJHBMUNMMU-APWZRJJASA-N 0 3 435.902 4.167 20 0 IIADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164724713 720375495 /nfs/dbraw/zinc/37/54/95/720375495.db2.gz LCQGAAYNKUIZAR-ZEQRLZLVSA-N 0 3 434.547 4.454 20 0 IIADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164727100 720438611 /nfs/dbraw/zinc/43/86/11/720438611.db2.gz DBEZNSIQAUOFAP-DNQXCXABSA-N 0 3 438.579 4.345 20 0 IIADHN c1csc(-c2noc(-c3ccnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c3)n2)c1 ZINC001164735677 720462292 /nfs/dbraw/zinc/46/22/92/720462292.db2.gz XLIZRUDWJISTLG-RBUKOAKNSA-N 0 3 430.537 4.108 20 0 IIADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730213 720466215 /nfs/dbraw/zinc/46/62/15/720466215.db2.gz SVAFRMMDVUXVNU-UIOOFZCWSA-N 0 3 440.595 4.382 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164767617 721097368 /nfs/dbraw/zinc/09/73/68/721097368.db2.gz MNZJSPYKMDALAS-UXHICEINSA-N 0 3 430.581 4.050 20 0 IIADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763956 721236390 /nfs/dbraw/zinc/23/63/90/721236390.db2.gz OMOSBOPJKUDCMT-HZPDHXFCSA-N 0 3 431.918 4.167 20 0 IIADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786137 721376913 /nfs/dbraw/zinc/37/69/13/721376913.db2.gz SRZUQGNZEQTHSE-QHCPKHFHSA-N 0 3 432.996 4.190 20 0 IIADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164812244 721581741 /nfs/dbraw/zinc/58/17/41/721581741.db2.gz ZRJZQOFNMVGIDY-BFLUCZKCSA-N 0 3 443.595 4.098 20 0 IIADHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001165025307 721820239 /nfs/dbraw/zinc/82/02/39/721820239.db2.gz MGLAVWMUJJLESZ-CWRNSKLLSA-N 0 3 439.963 4.096 20 0 IIADHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001165025307 721820241 /nfs/dbraw/zinc/82/02/41/721820241.db2.gz MGLAVWMUJJLESZ-CWRNSKLLSA-N 0 3 439.963 4.096 20 0 IIADHN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962262 722056327 /nfs/dbraw/zinc/05/63/27/722056327.db2.gz CATSKYZNEOKDQQ-UHFFFAOYSA-N 0 3 436.934 4.102 20 0 IIADHN COc1ccc2c(cc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984191 722130746 /nfs/dbraw/zinc/13/07/46/722130746.db2.gz WIFYVBWNFUHEJU-AVRDEDQJSA-N 0 3 438.959 4.019 20 0 IIADHN CC(C)(C)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164978059 722138864 /nfs/dbraw/zinc/13/88/64/722138864.db2.gz JLUOJQWYQAMCEW-LEWJYISDSA-N 0 3 437.632 4.194 20 0 IIADHN Clc1ccc2c(Cl)nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979592 722150392 /nfs/dbraw/zinc/15/03/92/722150392.db2.gz LKSHWVQVKWUBKZ-OXQOHEQNSA-N 0 3 444.366 4.059 20 0 IIADHN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972231 722153546 /nfs/dbraw/zinc/15/35/46/722153546.db2.gz HKYFBYDGARBSAI-PWIZWCRZSA-N 0 3 429.996 4.074 20 0 IIADHN Fc1ccc(F)c2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164975321 722156932 /nfs/dbraw/zinc/15/69/32/722156932.db2.gz SHSCPZJOKWWIDQ-OXQOHEQNSA-N 0 3 444.913 4.289 20 0 IIADHN Clc1ccc2c(Cl)ncnc2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972745 722157239 /nfs/dbraw/zinc/15/72/39/722157239.db2.gz JKQATRCQNKMTEL-LPHOPBHVSA-N 0 3 444.366 4.059 20 0 IIADHN O=C1CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccccc2N1CC1CC1 ZINC001164973029 722161093 /nfs/dbraw/zinc/16/10/93/722161093.db2.gz KEIZCHRXLRPTSN-UHFFFAOYSA-N 0 3 430.596 4.362 20 0 IIADHN OC[C@@H](Cc1ccccc1)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000479454454 1126094655 /nfs/dbraw/zinc/09/46/55/1126094655.db2.gz OUQHHULMHYJZJB-OAQYLSRUSA-N 0 3 427.342 4.116 20 0 IIADHN COc1ccccc1C[C@](C)(CO)NCc1cc(Cl)ccc1OCc1cccnc1 ZINC001175707418 1126149161 /nfs/dbraw/zinc/14/91/61/1126149161.db2.gz LCOQMPZQYYUVOW-XMMPIXPASA-N 0 3 426.944 4.406 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2cc(Br)ccc2Cl)cc1OC ZINC001460869398 1126192987 /nfs/dbraw/zinc/19/29/87/1126192987.db2.gz NXRAAHPOZLVAFP-LJQANCHMSA-N 0 3 428.754 4.203 20 0 IIADHN Cc1ccc(S(=O)(=O)c2ccc(CN[C@](C)(CO)Cc3ccccc3F)cc2)cc1 ZINC001473839414 1126199904 /nfs/dbraw/zinc/19/99/04/1126199904.db2.gz ARTWYPPRDKQCJQ-DEOSSOPVSA-N 0 3 427.541 4.050 20 0 IIADHN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cc(Br)ccc1Br ZINC001473999898 1126201416 /nfs/dbraw/zinc/20/14/16/1126201416.db2.gz VMHRDBCTHNKCQY-OAHLLOKOSA-N 0 3 438.163 4.386 20 0 IIADHN COc1ccccc1C[C@](C)(CO)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001474227262 1126203381 /nfs/dbraw/zinc/20/33/81/1126203381.db2.gz RRLVRRVXSFQPOM-JOCHJYFZSA-N 0 3 433.474 4.042 20 0 IIADHN COc1ccc(CN[C@](C)(CO)Cc2ccc(Br)cc2)c(Br)c1 ZINC001560182239 1126208455 /nfs/dbraw/zinc/20/84/55/1126208455.db2.gz BQBWOEGLEQXIIT-SFHVURJKSA-N 0 3 443.179 4.304 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)CC1 ZINC001164613787 719021811 /nfs/dbraw/zinc/02/18/11/719021811.db2.gz DSCSVNGEKIGWLY-UHFFFAOYSA-N 0 3 436.330 4.177 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC2)CC1 ZINC001164613823 719021900 /nfs/dbraw/zinc/02/19/00/719021900.db2.gz GIDBGZOZKLGGFW-UHFFFAOYSA-N 0 3 436.330 4.177 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)CC1 ZINC001164617091 719035120 /nfs/dbraw/zinc/03/51/20/719035120.db2.gz GLUWNLZMSVHLIG-UHFFFAOYSA-N 0 3 441.950 4.099 20 0 IIADHN O=C(c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630515 719099763 /nfs/dbraw/zinc/09/97/63/719099763.db2.gz WTZCIHIBTHLVQG-NFBKMPQASA-N 0 3 439.003 4.462 20 0 IIADHN CNC(=O)CN1CCCC12CCN(c1cc(-c3ccccc3)c3ccc(OC)cc3n1)CC2 ZINC001164689408 719739427 /nfs/dbraw/zinc/73/94/27/719739427.db2.gz FPKCRBXVFJZODQ-UHFFFAOYSA-N 0 3 444.579 4.091 20 0 IIADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164727105 720437392 /nfs/dbraw/zinc/43/73/92/720437392.db2.gz DBEZNSIQAUOFAP-RPWUZVMVSA-N 0 3 438.579 4.345 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164767622 721097645 /nfs/dbraw/zinc/09/76/45/721097645.db2.gz MNZJSPYKMDALAS-VQTJNVASSA-N 0 3 430.581 4.050 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@@H]3C2)cn1 ZINC001164762964 721097688 /nfs/dbraw/zinc/09/76/88/721097688.db2.gz FPFAQDDWHCMJQT-SJORKVTESA-N 0 3 436.610 4.112 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@H]3C2)cn1 ZINC001164762945 721097757 /nfs/dbraw/zinc/09/77/57/721097757.db2.gz FPFAQDDWHCMJQT-DLBZAZTESA-N 0 3 436.610 4.112 20 0 IIADHN Cc1ccc(-c2nnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164773897 721191975 /nfs/dbraw/zinc/19/19/75/721191975.db2.gz XXYATHIGIWJLAV-XZOQPEGZSA-N 0 3 438.579 4.297 20 0 IIADHN Cc1ccc(-c2nnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c3ccccc32)cc1 ZINC001164773894 721192560 /nfs/dbraw/zinc/19/25/60/721192560.db2.gz XXYATHIGIWJLAV-DHIUTWEWSA-N 0 3 438.579 4.297 20 0 IIADHN Cc1ccc(-c2nnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164773895 721193120 /nfs/dbraw/zinc/19/31/20/721193120.db2.gz XXYATHIGIWJLAV-GOTSBHOMSA-N 0 3 438.579 4.297 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772367 721204100 /nfs/dbraw/zinc/20/41/00/721204100.db2.gz TVVTVAGKOSTONY-ICSRJNTNSA-N 0 3 430.581 4.050 20 0 IIADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763954 721237521 /nfs/dbraw/zinc/23/75/21/721237521.db2.gz OMOSBOPJKUDCMT-CVEARBPZSA-N 0 3 431.918 4.167 20 0 IIADHN CCCN(CCC)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164904782 721716056 /nfs/dbraw/zinc/71/60/56/721716056.db2.gz DCKKKHHPKDPSHN-QHCPKHFHSA-N 0 3 444.574 4.236 20 0 IIADHN CCc1nc2sccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912852 721731102 /nfs/dbraw/zinc/73/11/02/721731102.db2.gz QOZBHMPKTRSICI-NRFANRHFSA-N 0 3 429.540 4.386 20 0 IIADHN O=C(C1=CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccccc21)N1CCCC1 ZINC001164928783 721899642 /nfs/dbraw/zinc/89/96/42/721899642.db2.gz OZRNWYLMUNZQLW-UHFFFAOYSA-N 0 3 442.607 4.235 20 0 IIADHN c1cn(C2CCCC2)c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164963210 722056686 /nfs/dbraw/zinc/05/66/86/722056686.db2.gz IOUCLQMAYGHNQQ-UHFFFAOYSA-N 0 3 446.599 4.060 20 0 IIADHN c1ccc(COc2cccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)cc1 ZINC001164962203 722058143 /nfs/dbraw/zinc/05/81/43/722058143.db2.gz PQHFFAVBWIYIBV-UHFFFAOYSA-N 0 3 444.579 4.175 20 0 IIADHN COc1cccc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164981570 722099659 /nfs/dbraw/zinc/09/96/59/722099659.db2.gz LSSRHDXTSINODO-PGRDOPGGSA-N 0 3 438.959 4.019 20 0 IIADHN COc1cccc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164981571 722099827 /nfs/dbraw/zinc/09/98/27/722099827.db2.gz LSSRHDXTSINODO-XMSQKQJNSA-N 0 3 438.959 4.019 20 0 IIADHN FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985823 722101735 /nfs/dbraw/zinc/10/17/35/722101735.db2.gz XBMFDKXVGUEJHK-DOTOQJQBSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982078 722102092 /nfs/dbraw/zinc/10/20/92/722102092.db2.gz MRJWDFXTRVXWAJ-WBVHZDCISA-N 0 3 443.325 4.056 20 0 IIADHN Cc1csc2c1nc(Cl)cc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980275 722132840 /nfs/dbraw/zinc/13/28/40/722132840.db2.gz MJRWSTPUSQNSHI-PKOBYXMFSA-N 0 3 428.989 4.380 20 0 IIADHN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972229 722153343 /nfs/dbraw/zinc/15/33/43/722153343.db2.gz HKYFBYDGARBSAI-DBVUQKKJSA-N 0 3 429.996 4.074 20 0 IIADHN Cc1cccc(C[C@H](CO)NCc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000466892451 1126093548 /nfs/dbraw/zinc/09/35/48/1126093548.db2.gz ZQAFGNSHNXNLJA-JOCHJYFZSA-N 0 3 441.369 4.425 20 0 IIADHN O[C@@H](C(F)F)[C@@H](Cc1ccccc1)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605199 1126095320 /nfs/dbraw/zinc/09/53/20/1126095320.db2.gz RWKJSVNVYZPHAF-WOJBJXKFSA-N 0 3 439.428 4.277 20 0 IIADHN OC[C@]1(NCc2cc(-c3ccc(F)cc3)no2)CCc2cc(Br)ccc2C1 ZINC001460422105 1126191254 /nfs/dbraw/zinc/19/12/54/1126191254.db2.gz JTQCYHNFTBBCJP-NRFANRHFSA-N 0 3 431.305 4.253 20 0 IIADHN OC[C@@]1(NCc2sccc2Br)CCc2cc(Br)ccc2C1 ZINC001461632057 1126195420 /nfs/dbraw/zinc/19/54/20/1126195420.db2.gz WPTMYZHHKWLNSA-MRXNPFEDSA-N 0 3 431.193 4.283 20 0 IIADHN C[C@@](CO)(Cc1ccccc1F)NCc1ccc(I)cc1Cl ZINC001560182325 1126208318 /nfs/dbraw/zinc/20/83/18/1126208318.db2.gz BVKMSIKCPLWJCZ-KRWDZBQOSA-N 0 3 433.692 4.167 20 0 IIADHN OC[C@]1(NCc2ccc(F)cc2Br)CCc2cc(Br)ccc2C1 ZINC001560532421 1126211763 /nfs/dbraw/zinc/21/17/63/1126211763.db2.gz JYZPXHLBDONNRL-SFHVURJKSA-N 0 3 443.154 4.360 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC2)CC1 ZINC001164617399 719026736 /nfs/dbraw/zinc/02/67/36/719026736.db2.gz KUQGAUYEEOZHTF-UHFFFAOYSA-N 0 3 436.330 4.177 20 0 IIADHN CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629152 719083108 /nfs/dbraw/zinc/08/31/08/719083108.db2.gz WAHSPHWUTOKWGL-JKSUJKDBSA-N 0 3 435.355 4.061 20 0 IIADHN Clc1ccc(CN2CCCC2)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164696178 719893666 /nfs/dbraw/zinc/89/36/66/719893666.db2.gz AONVTFYSVKPMKN-UHFFFAOYSA-N 0 3 447.048 4.264 20 0 IIADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164724712 720376261 /nfs/dbraw/zinc/37/62/61/720376261.db2.gz LCQGAAYNKUIZAR-RPWUZVMVSA-N 0 3 434.547 4.454 20 0 IIADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729414 720419528 /nfs/dbraw/zinc/41/95/28/720419528.db2.gz HJZJDQSMEJPNSZ-LOSJGSFVSA-N 0 3 442.563 4.432 20 0 IIADHN CCOc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164907552 721559239 /nfs/dbraw/zinc/55/92/39/721559239.db2.gz OJLRZHJKLHZGLK-NFBKMPQASA-N 0 3 434.515 4.023 20 0 IIADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CCN3C2)c1 ZINC001164910806 721559500 /nfs/dbraw/zinc/55/95/00/721559500.db2.gz XLDZYQMUSARKGQ-IEBWSBKVSA-N 0 3 442.897 4.417 20 0 IIADHN FC1(F)CCN(c2nnc(Cl)c3ccsc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906159 721694483 /nfs/dbraw/zinc/69/44/83/721694483.db2.gz LXDQJVJNVZZGQP-IBGZPJMESA-N 0 3 435.931 4.477 20 0 IIADHN Clc1cnc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164971858 722121473 /nfs/dbraw/zinc/12/14/73/722121473.db2.gz CUWIOTYJZTYVGS-GDBMZVCRSA-N 0 3 427.763 4.164 20 0 IIADHN Clc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164983310 722132267 /nfs/dbraw/zinc/13/22/67/722132267.db2.gz TXBGJIIHRRJLDA-KKSFZXQISA-N 0 3 444.366 4.059 20 0 IIADHN Cc1cccc(Sc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164981787 722135073 /nfs/dbraw/zinc/13/50/73/722135073.db2.gz QLODRBAFNFMXIS-GGAORHGYSA-N 0 3 447.608 4.059 20 0 IIADHN Fc1cccc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164977898 722155487 /nfs/dbraw/zinc/15/54/87/722155487.db2.gz ZDWREODKQGXMOG-UTKZUKDTSA-N 0 3 426.923 4.150 20 0 IIADHN COc1ccccc1C[C@@](C)(CO)NCc1cccc(Br)c1OC(F)F ZINC001175706467 1126149128 /nfs/dbraw/zinc/14/91/28/1126149128.db2.gz FVVZZXKUFJRVPV-IBGZPJMESA-N 0 3 430.289 4.142 20 0 IIADHN Cc1ccc(C[C@@H](CO)NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867468 1126151359 /nfs/dbraw/zinc/15/13/59/1126151359.db2.gz GZPBMSZHLBQNDQ-YADHBBJMSA-N 0 3 442.600 4.148 20 0 IIADHN COCO[C@@H](C)c1cc(F)c(CN[C@@H](CO)Cc2ccccc2C)cc1Br ZINC001202024723 1126156907 /nfs/dbraw/zinc/15/69/07/1126156907.db2.gz FWQCNMZGXKAUOR-MAUKXSAKSA-N 0 3 440.353 4.271 20 0 IIADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC001308119019 1126164333 /nfs/dbraw/zinc/16/43/33/1126164333.db2.gz XZBXLQJKYMGDNT-SFHVURJKSA-N 0 3 443.172 4.487 20 0 IIADHN OC[C@@]1(NCc2ccc(Br)cc2F)CCc2cc(Br)ccc2C1 ZINC001308466069 1126166209 /nfs/dbraw/zinc/16/62/09/1126166209.db2.gz ZSTFCQBLSYPMKX-GOSISDBHSA-N 0 3 443.154 4.360 20 0 IIADHN O[C@@H]1c2ccccc2C[C@H]1NCc1cc(Br)ccc1OCc1ccccn1 ZINC001560615765 1126213856 /nfs/dbraw/zinc/21/38/56/1126213856.db2.gz ZTIVUZSIVBAPLT-IFMALSPDSA-N 0 3 425.326 4.171 20 0 IIADHN C[C@@](CO)(Cc1ccccc1F)NCc1cc(Br)cc(Br)c1N ZINC001621022245 1126244548 /nfs/dbraw/zinc/24/45/48/1126244548.db2.gz OPCMBMLTDCJQRQ-KRWDZBQOSA-N 0 3 446.158 4.016 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)CC1 ZINC001164617425 719029960 /nfs/dbraw/zinc/02/99/60/719029960.db2.gz LVARYHDMNAZZDF-UHFFFAOYSA-N 0 3 440.922 4.005 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164619069 719066933 /nfs/dbraw/zinc/06/69/33/719066933.db2.gz CGJRAGXDDLHLQW-AEFFLSMTSA-N 0 3 435.902 4.167 20 0 IIADHN COC(=O)c1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627942 719070159 /nfs/dbraw/zinc/07/01/59/719070159.db2.gz RLQGTJHBMUNMMU-VQIMIIECSA-N 0 3 435.902 4.167 20 0 IIADHN COC(=O)c1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627935 719070172 /nfs/dbraw/zinc/07/01/72/719070172.db2.gz RLQGTJHBMUNMMU-LPHOPBHVSA-N 0 3 435.902 4.167 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164862366 720969089 /nfs/dbraw/zinc/96/90/89/720969089.db2.gz RZAUHJUBVNTEOO-LJQANCHMSA-N 0 3 429.572 4.098 20 0 IIADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765000 721163911 /nfs/dbraw/zinc/16/39/11/721163911.db2.gz HKBOLDKQGITXQO-JKSUJKDBSA-N 0 3 446.382 4.242 20 0 IIADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872040 721175689 /nfs/dbraw/zinc/17/56/89/721175689.db2.gz GETOCQOSWUJPIU-DLBZAZTESA-N 0 3 445.901 4.096 20 0 IIADHN Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccc(CN4CCCC4)cn2)CCO3)cs1 ZINC001164784758 721445096 /nfs/dbraw/zinc/44/50/96/721445096.db2.gz QOEOBGIYJPDPCO-URXFXBBRSA-N 0 3 442.629 4.035 20 0 IIADHN FC1(F)CCN(c2ccnc(Cc3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913978 721729489 /nfs/dbraw/zinc/72/94/89/721729489.db2.gz ZVUMXDDFNWNISW-DEOSSOPVSA-N 0 3 435.522 4.200 20 0 IIADHN Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963224 722057572 /nfs/dbraw/zinc/05/75/72/722057572.db2.gz JCGXGWPMJVACDF-UHFFFAOYSA-N 0 3 436.934 4.102 20 0 IIADHN Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984741 722099479 /nfs/dbraw/zinc/09/94/79/722099479.db2.gz UHTQXVFDDFEHOJ-UWJYYQICSA-N 0 3 426.923 4.150 20 0 IIADHN COc1cccc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164981566 722099946 /nfs/dbraw/zinc/09/99/46/722099946.db2.gz LSSRHDXTSINODO-AVRDEDQJSA-N 0 3 438.959 4.019 20 0 IIADHN CCCCOc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982253 722135636 /nfs/dbraw/zinc/13/56/36/722135636.db2.gz RLMBEUTZWUNEJP-DENIHFKCSA-N 0 3 430.980 4.036 20 0 IIADHN Fc1cccc2cc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971230 722158860 /nfs/dbraw/zinc/15/88/60/722158860.db2.gz BDWXJBXRMUBYQZ-ICSRJNTNSA-N 0 3 426.923 4.150 20 0 IIADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(-c4cccnc4)nc4c2CCC4)C3)c1 ZINC001164997449 722210465 /nfs/dbraw/zinc/21/04/65/722210465.db2.gz QGDGLMQQQVYXMW-AREMUKBSSA-N 0 3 429.543 4.411 20 0 IIADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277631 1126151734 /nfs/dbraw/zinc/15/17/34/1126151734.db2.gz KJRCFCIMLPNJQC-UQBPGWFLSA-N 0 3 446.563 4.060 20 0 IIADHN OC[C@@]1(NCc2cc(F)ccc2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001196103342 1126153503 /nfs/dbraw/zinc/15/35/03/1126153503.db2.gz DGKRNLXRSZQGJW-LJQANCHMSA-N 0 3 430.264 4.199 20 0 IIADHN CCOc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc(Cl)c1[O-] ZINC001206660398 1126159647 /nfs/dbraw/zinc/15/96/47/1126159647.db2.gz COWZVZUCHKHUCT-HXUWFJFHSA-N 0 3 440.765 4.216 20 0 IIADHN Cc1ccc(S(=O)(=O)c2ccc(CN[C@@](C)(CO)Cc3ccccc3F)cc2)cc1 ZINC001473839415 1126199893 /nfs/dbraw/zinc/19/98/93/1126199893.db2.gz ARTWYPPRDKQCJQ-XMMPIXPASA-N 0 3 427.541 4.050 20 0 IIADHN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473840195 1126200686 /nfs/dbraw/zinc/20/06/86/1126200686.db2.gz SGOYOUHHMDNTEC-OAQYLSRUSA-N 0 3 430.321 4.129 20 0 IIADHN COc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998739 1126201189 /nfs/dbraw/zinc/20/11/89/1126201189.db2.gz KJKSUUIVWUDGDV-OFNKIYASSA-N 0 3 446.469 4.293 20 0 IIADHN CCOc1c(Br)cc(CNC[C@H](O)c2ccccc2)cc1Br ZINC000020476845 520591641 /nfs/dbraw/zinc/59/16/41/520591641.db2.gz GGHFKEOQHMFUQK-INIZCTEOSA-N 0 3 429.152 4.434 20 0 IIADHN C[C@@H](O)CNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474593 556335822 /nfs/dbraw/zinc/33/58/22/556335822.db2.gz XOQVYTZENRBBFW-GFCCVEGCSA-N 0 3 429.152 4.261 20 0 IIADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729411 720418126 /nfs/dbraw/zinc/41/81/26/720418126.db2.gz HJZJDQSMEJPNSZ-JWQCQUIFSA-N 0 3 442.563 4.432 20 0 IIADHN COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2C)cc1 ZINC001164725755 720428383 /nfs/dbraw/zinc/42/83/83/720428383.db2.gz AXMTXOXXAFRHLU-RPWUZVMVSA-N 0 3 428.536 4.092 20 0 IIADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164735723 720436983 /nfs/dbraw/zinc/43/69/83/720436983.db2.gz YCEWAZLJROIKRZ-MSOLQXFVSA-N 0 3 425.895 4.310 20 0 IIADHN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164842120 720739466 /nfs/dbraw/zinc/73/94/66/720739466.db2.gz CPQIKZFUUPQKGT-UHFFFAOYSA-N 0 3 432.302 4.062 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164767626 721097017 /nfs/dbraw/zinc/09/70/17/721097017.db2.gz MNZJSPYKMDALAS-WOJBJXKFSA-N 0 3 430.581 4.050 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872113 721168335 /nfs/dbraw/zinc/16/83/35/721168335.db2.gz GRWOIPVGPGEUBH-LEWJYISDSA-N 0 3 449.986 4.289 20 0 IIADHN Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccc(CN(C)C4CC4)cn2)CCO3)cs1 ZINC001164785062 721445033 /nfs/dbraw/zinc/44/50/33/721445033.db2.gz RLGMVRKJSLQYTB-RDPSFJRHSA-N 0 3 442.629 4.033 20 0 IIADHN FC1(F)CCN(c2ncnc3cc(Cl)ccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907064 721697866 /nfs/dbraw/zinc/69/78/66/721697866.db2.gz QVDWJSYCGPGWPJ-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN COc1ccc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c(C)nc2c1 ZINC001164914001 721728978 /nfs/dbraw/zinc/72/89/78/721728978.db2.gz ZZBBEHWCKVDXFF-QHCPKHFHSA-N 0 3 439.510 4.080 20 0 IIADHN Cc1cccc(Sc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164981795 722134684 /nfs/dbraw/zinc/13/46/84/722134684.db2.gz QLODRBAFNFMXIS-JTHBVZDNSA-N 0 3 447.608 4.059 20 0 IIADHN Clc1ccc2c(Cl)nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979588 722150492 /nfs/dbraw/zinc/15/04/92/722150492.db2.gz LKSHWVQVKWUBKZ-JXFKEZNVSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1cccc2cc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971227 722158587 /nfs/dbraw/zinc/15/85/87/722158587.db2.gz BDWXJBXRMUBYQZ-AZUAARDMSA-N 0 3 426.923 4.150 20 0 IIADHN O=C1CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccccc2N1CC1CC1 ZINC001164973018 722161123 /nfs/dbraw/zinc/16/11/23/722161123.db2.gz JYFSHBBSQQNTCM-UHFFFAOYSA-N 0 3 430.596 4.362 20 0 IIADHN COc1cc2nc(C)nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164994490 722200053 /nfs/dbraw/zinc/20/00/53/722200053.db2.gz IFFXDHKQCAVCON-RUZDIDTESA-N 0 3 436.531 4.339 20 0 IIADHN COc1c(Br)cc(Br)cc1CN[C@@H](CO)Cc1ccccc1C ZINC001178501025 1126151095 /nfs/dbraw/zinc/15/10/95/1126151095.db2.gz KUJPDUVZBULBEX-MRXNPFEDSA-N 0 3 443.179 4.222 20 0 IIADHN COCO[C@@H](C)c1cc(F)c(CN[C@H](CO)Cc2ccccc2C)cc1Br ZINC001202024725 1126156862 /nfs/dbraw/zinc/15/68/62/1126156862.db2.gz FWQCNMZGXKAUOR-YJBOKZPZSA-N 0 3 440.353 4.271 20 0 IIADHN OC[C@]1(NCc2ccc(Br)cc2F)CCc2cc(Br)ccc2C1 ZINC001308466073 1126166214 /nfs/dbraw/zinc/16/62/14/1126166214.db2.gz ZSTFCQBLSYPMKX-SFHVURJKSA-N 0 3 443.154 4.360 20 0 IIADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc(Br)ccc1F ZINC001460873082 1126193532 /nfs/dbraw/zinc/19/35/32/1126193532.db2.gz WQGCVXXGPQFXLF-QGZVFWFLSA-N 0 3 431.143 4.434 20 0 IIADHN OC[C@@]1(NCc2cc(-c3ccc(F)cc3)no2)CCc2cc(Br)ccc2C1 ZINC001460422111 1126191145 /nfs/dbraw/zinc/19/11/45/1126191145.db2.gz JTQCYHNFTBBCJP-OAQYLSRUSA-N 0 3 431.305 4.253 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164619075 719067439 /nfs/dbraw/zinc/06/74/39/719067439.db2.gz CGJRAGXDDLHLQW-WMZOPIPTSA-N 0 3 435.902 4.167 20 0 IIADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629924 719091818 /nfs/dbraw/zinc/09/18/18/719091818.db2.gz UFUDNYWSOGNYBO-VQIMIIECSA-N 0 3 429.902 4.324 20 0 IIADHN Cc1ccc(-c2csc3ncnc(N4C[C@@H]5CCN(Cc6cnn(C)c6)C[C@H]5C4)c23)cc1 ZINC001164767295 721113375 /nfs/dbraw/zinc/11/33/75/721113375.db2.gz MINJFTBTJONJJG-SFTDATJTSA-N 0 3 444.608 4.359 20 0 IIADHN Clc1cc(C2CCCCC2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874433 721182591 /nfs/dbraw/zinc/18/25/91/721182591.db2.gz JXPKAJJHZPTUFA-PMACEKPBSA-N 0 3 427.980 4.052 20 0 IIADHN Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccc(CN4CCCC4)cn2)CCO3)cs1 ZINC001164784769 721445011 /nfs/dbraw/zinc/44/50/11/721445011.db2.gz QOEOBGIYJPDPCO-ZJSXRUAMSA-N 0 3 442.629 4.035 20 0 IIADHN FC1(F)CCN(c2nnc(Cl)c3ccsc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906179 721693868 /nfs/dbraw/zinc/69/38/68/721693868.db2.gz LXDQJVJNVZZGQP-LJQANCHMSA-N 0 3 435.931 4.477 20 0 IIADHN Clc1cc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164986250 722107631 /nfs/dbraw/zinc/10/76/31/722107631.db2.gz YNYVDLQSVWAQQO-GDBMZVCRSA-N 0 3 427.763 4.164 20 0 IIADHN Clc1cnc2cc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2n1 ZINC001164978190 722112377 /nfs/dbraw/zinc/11/23/77/722112377.db2.gz NTAZBNJOOBGGIR-HRAATJIYSA-N 0 3 444.366 4.059 20 0 IIADHN FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982190 722116497 /nfs/dbraw/zinc/11/64/97/722116497.db2.gz WGMLMMVYAUBXFU-RDJZCZTQSA-N 0 3 443.325 4.056 20 0 IIADHN COc1ccc2c(cc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984193 722130887 /nfs/dbraw/zinc/13/08/87/722130887.db2.gz WIFYVBWNFUHEJU-PGRDOPGGSA-N 0 3 438.959 4.019 20 0 IIADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc(Br)cc1F ZINC001179278005 1126151861 /nfs/dbraw/zinc/15/18/61/1126151861.db2.gz QEZLNDUSKWNPJI-KRWDZBQOSA-N 0 3 431.143 4.434 20 0 IIADHN CCO[C@@H]1C[C@](CO)(NCc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025626 1126157109 /nfs/dbraw/zinc/15/71/09/1126157109.db2.gz XSCWQMKUYWVEET-VQIMIIECSA-N 0 3 425.392 4.228 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(SC)c(Cl)n3)CC2)CC1 ZINC001164617812 719028055 /nfs/dbraw/zinc/02/80/55/719028055.db2.gz PNAFGVDKPPUTGZ-UHFFFAOYSA-N 0 3 447.979 4.246 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164619073 719067187 /nfs/dbraw/zinc/06/71/87/719067187.db2.gz CGJRAGXDDLHLQW-SJLPKXTDSA-N 0 3 435.902 4.167 20 0 IIADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629923 719092000 /nfs/dbraw/zinc/09/20/00/719092000.db2.gz UFUDNYWSOGNYBO-QFBILLFUSA-N 0 3 429.902 4.324 20 0 IIADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164735725 720436160 /nfs/dbraw/zinc/43/61/60/720436160.db2.gz YCEWAZLJROIKRZ-ROUUACIJSA-N 0 3 425.895 4.310 20 0 IIADHN c1ccc(-c2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164865380 721083070 /nfs/dbraw/zinc/08/30/70/721083070.db2.gz KQNGVEJGKCDRJY-PKTZIBPZSA-N 0 3 437.547 4.172 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164770991 721161767 /nfs/dbraw/zinc/16/17/67/721161767.db2.gz RUDRKUJJFXDVDR-XZOQPEGZSA-N 0 3 438.579 4.297 20 0 IIADHN Cc1sc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164773833 721201008 /nfs/dbraw/zinc/20/10/08/721201008.db2.gz XIZFXZHFJTZHSQ-SFTDATJTSA-N 0 3 444.608 4.359 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772366 721202969 /nfs/dbraw/zinc/20/29/69/721202969.db2.gz TVVTVAGKOSTONY-AZUAARDMSA-N 0 3 430.581 4.050 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)s1 ZINC001164772334 721211647 /nfs/dbraw/zinc/21/16/47/721211647.db2.gz SHRVXHCNVQEOKW-PMACEKPBSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786136 721377087 /nfs/dbraw/zinc/37/70/87/721377087.db2.gz SRZUQGNZEQTHSE-HSZRJFAPSA-N 0 3 432.996 4.190 20 0 IIADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)o2)cc1 ZINC001164906568 721555118 /nfs/dbraw/zinc/55/51/18/721555118.db2.gz KCKUPUHNTLCLOM-PZJWPPBQSA-N 0 3 445.498 4.074 20 0 IIADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccnc(CSc5ccccc5)n4)CCN3C2)c1 ZINC001164908663 721565179 /nfs/dbraw/zinc/56/51/79/721565179.db2.gz RLKUTPIEGXJJLY-PZJWPPBQSA-N 0 3 436.556 4.250 20 0 IIADHN FC1(F)CCN(c2cc(Cl)nc3ncccc23)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904867 721699974 /nfs/dbraw/zinc/69/99/74/721699974.db2.gz HCGMXDRBQDSDRH-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2ncnc3[nH]c4ccccc4c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908323 721710499 /nfs/dbraw/zinc/71/04/99/721710499.db2.gz WZKPXTFBHSXETL-HSZRJFAPSA-N 0 3 434.494 4.244 20 0 IIADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccco2)n1 ZINC001164910578 721728566 /nfs/dbraw/zinc/72/85/66/721728566.db2.gz GMGBVCFJROGOOV-QFIPXVFZSA-N 0 3 425.483 4.178 20 0 IIADHN FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984709 722103087 /nfs/dbraw/zinc/10/30/87/722103087.db2.gz UCKWAKQNWWQVLY-YJBOKZPZSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1cc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164986255 722107364 /nfs/dbraw/zinc/10/73/64/722107364.db2.gz YNYVDLQSVWAQQO-HOCLYGCPSA-N 0 3 427.763 4.164 20 0 IIADHN Clc1cccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164970907 722112088 /nfs/dbraw/zinc/11/20/88/722112088.db2.gz AMFFNPNXLJBSEE-LPHOPBHVSA-N 0 3 444.366 4.059 20 0 IIADHN Clc1cccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970909 722112195 /nfs/dbraw/zinc/11/21/95/722112195.db2.gz AMFFNPNXLJBSEE-QFBILLFUSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1cc2ccc(Cl)nc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978257 722119287 /nfs/dbraw/zinc/11/92/87/722119287.db2.gz OCKSIUAPRXFONV-RXVVDRJESA-N 0 3 426.923 4.150 20 0 IIADHN Cc1cc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1C ZINC001164982471 722128740 /nfs/dbraw/zinc/12/87/40/722128740.db2.gz WPOYLCBGSGVXNY-UGKGYDQZSA-N 0 3 437.975 4.022 20 0 IIADHN Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976088 722144599 /nfs/dbraw/zinc/14/45/99/722144599.db2.gz HAXNIRSPULDYLY-FGZHOGPDSA-N 0 3 449.986 4.228 20 0 IIADHN Fc1ccc(F)c2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164975320 722157177 /nfs/dbraw/zinc/15/71/77/722157177.db2.gz SHSCPZJOKWWIDQ-OXJNMPFZSA-N 0 3 444.913 4.289 20 0 IIADHN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977226 722157931 /nfs/dbraw/zinc/15/79/31/722157931.db2.gz YGQFGMRMAYXYBR-GHTZIAJQSA-N 0 3 448.945 4.280 20 0 IIADHN Fc1cccc2cc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971234 722158703 /nfs/dbraw/zinc/15/87/03/722158703.db2.gz BDWXJBXRMUBYQZ-QUCCMNQESA-N 0 3 426.923 4.150 20 0 IIADHN COc1cc2nc(C)nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164994492 722200486 /nfs/dbraw/zinc/20/04/86/722200486.db2.gz IFFXDHKQCAVCON-VWLOTQADSA-N 0 3 436.531 4.339 20 0 IIADHN COC(=O)c1cc2c(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)[nH]c(Cl)cc-2n1 ZINC001164996663 722205100 /nfs/dbraw/zinc/20/51/00/722205100.db2.gz UZDHBMGYILOCGC-HSZRJFAPSA-N 0 3 442.922 4.387 20 0 IIADHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc(Br)ccc1Br ZINC001308479793 1126166832 /nfs/dbraw/zinc/16/68/32/1126166832.db2.gz NBQQKGTXKDFOLL-KRWDZBQOSA-N 0 3 431.143 4.434 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC001473839170 1126199584 /nfs/dbraw/zinc/19/95/84/1126199584.db2.gz UJEFUGXUMLOPGC-XMMPIXPASA-N 0 3 426.944 4.406 20 0 IIADHN OC[C@]1(NCc2ccccc2Br)CCc2cc(Br)ccc2C1 ZINC001474208503 1126202514 /nfs/dbraw/zinc/20/25/14/1126202514.db2.gz IKDFPSGGOUSVOG-SFHVURJKSA-N 0 3 425.164 4.221 20 0 IIADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc(Oc2ccccc2)nn1 ZINC001560183556 1126209327 /nfs/dbraw/zinc/20/93/27/1126209327.db2.gz SBPGBIWLUQFYHE-NRFANRHFSA-N 0 3 428.330 4.115 20 0 IIADHN COc1ccc(CN[C@](C)(CO)Cc2ccc(Br)cc2)c(Cl)c1OC ZINC001621022375 1126244553 /nfs/dbraw/zinc/24/45/53/1126244553.db2.gz UHQCGMVDBIJKNA-IBGZPJMESA-N 0 3 428.754 4.203 20 0 IIADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4C[C@H]4[C@@H](F)C3)c21 ZINC001164431356 718963750 /nfs/dbraw/zinc/96/37/50/718963750.db2.gz OJYGFZRBDIIHFA-LMMKCTJWSA-N 0 3 441.934 4.191 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(SC)cnc3Cl)CC2)CC1 ZINC001164616362 719031049 /nfs/dbraw/zinc/03/10/49/719031049.db2.gz BYEXZMNERJEHCE-UHFFFAOYSA-N 0 3 447.979 4.246 20 0 IIADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164624947 719106913 /nfs/dbraw/zinc/10/69/13/719106913.db2.gz FPXQGWUYEVLRJD-ROUUACIJSA-N 0 3 445.901 4.431 20 0 IIADHN CCOC(=O)c1cc2ccc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)[nH]c-2n1 ZINC001164691567 719811293 /nfs/dbraw/zinc/81/12/93/719811293.db2.gz HKVKEZSYYBMQNG-UHFFFAOYSA-N 0 3 439.585 4.140 20 0 IIADHN CSc1cnc(Cl)c(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c1 ZINC001164838616 720738680 /nfs/dbraw/zinc/73/86/80/720738680.db2.gz SZGGYQYMHZTHPA-UHFFFAOYSA-N 0 3 427.952 4.251 20 0 IIADHN FC(F)(c1cccc2c(Cl)ncnc21)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845313 720740405 /nfs/dbraw/zinc/74/04/05/720740405.db2.gz ZJPRXKZCFLGJOC-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN c1ccc(-c2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164865379 721083250 /nfs/dbraw/zinc/08/32/50/721083250.db2.gz KQNGVEJGKCDRJY-GOTSBHOMSA-N 0 3 437.547 4.172 20 0 IIADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164812252 721581450 /nfs/dbraw/zinc/58/14/50/721581450.db2.gz ZRJZQOFNMVGIDY-GSLIJJQTSA-N 0 3 443.595 4.098 20 0 IIADHN FC1(F)CCN(c2ncnc3c(Cl)cccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906985 721692735 /nfs/dbraw/zinc/69/27/35/721692735.db2.gz QCISOAFUKBEXFU-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN Cc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164903763 721696852 /nfs/dbraw/zinc/69/68/52/721696852.db2.gz CCLCGOFRKHVZBI-HXUWFJFHSA-N 0 3 432.906 4.052 20 0 IIADHN CCCN(CCC)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164904778 721716280 /nfs/dbraw/zinc/71/62/80/721716280.db2.gz DCKKKHHPKDPSHN-HSZRJFAPSA-N 0 3 444.574 4.236 20 0 IIADHN FC1(F)CCN(c2ccc3nccc(Cl)c3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906073 721720762 /nfs/dbraw/zinc/72/07/62/721720762.db2.gz JQWLFTQLNFYYPI-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN c1cncc(-c2ccc3nc(C4CCN(c5ccc(CN6CCCC6)cn5)CC4)nn3c2)c1 ZINC001164956912 722049824 /nfs/dbraw/zinc/04/98/24/722049824.db2.gz DXHYRAPXLIXNLK-UHFFFAOYSA-N 0 3 439.567 4.166 20 0 IIADHN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164962971 722057383 /nfs/dbraw/zinc/05/73/83/722057383.db2.gz GHOOXXTUJZANII-UHFFFAOYSA-N 0 3 436.934 4.102 20 0 IIADHN Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164962605 722059428 /nfs/dbraw/zinc/05/94/28/722059428.db2.gz UVWMQULGBHMHFE-UHFFFAOYSA-N 0 3 425.964 4.039 20 0 IIADHN FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983490 722101948 /nfs/dbraw/zinc/10/19/48/722101948.db2.gz QLYDYBQAFCQJEH-YJBOKZPZSA-N 0 3 443.325 4.056 20 0 IIADHN Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978261 722119396 /nfs/dbraw/zinc/11/93/96/722119396.db2.gz OCKSIUAPRXFONV-WIYYLYMNSA-N 0 3 426.923 4.150 20 0 IIADHN Fc1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164972222 722152964 /nfs/dbraw/zinc/15/29/64/722152964.db2.gz HCFLDEMFAZUKLF-PGRDOPGGSA-N 0 3 426.923 4.150 20 0 IIADHN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977234 722158438 /nfs/dbraw/zinc/15/84/38/722158438.db2.gz YGQFGMRMAYXYBR-RXVVDRJESA-N 0 3 448.945 4.280 20 0 IIADHN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2cc(CN(C)C)ccn2)CC1 ZINC001164992211 722189200 /nfs/dbraw/zinc/18/92/00/722189200.db2.gz XYHYTQARKCTWEC-UHFFFAOYSA-N 0 3 430.552 4.243 20 0 IIADHN O[C@H](C(F)F)[C@@H](Cc1ccccc1)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605197 1126094893 /nfs/dbraw/zinc/09/48/93/1126094893.db2.gz RWKJSVNVYZPHAF-UXHICEINSA-N 0 3 439.428 4.277 20 0 IIADHN COc1cc(Cl)c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001179146763 1126151553 /nfs/dbraw/zinc/15/15/53/1126151553.db2.gz CTUFPFDFQAHPHD-HXUWFJFHSA-N 0 3 440.765 4.129 20 0 IIADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC001308119018 1126164430 /nfs/dbraw/zinc/16/44/30/1126164430.db2.gz XZBXLQJKYMGDNT-GOSISDBHSA-N 0 3 443.172 4.487 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)CC1 ZINC001164617941 719035573 /nfs/dbraw/zinc/03/55/73/719035573.db2.gz PUVVSODUKJFSJE-UHFFFAOYSA-N 0 3 441.950 4.099 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164619071 719067260 /nfs/dbraw/zinc/06/72/60/719067260.db2.gz CGJRAGXDDLHLQW-FUHWJXTLSA-N 0 3 435.902 4.167 20 0 IIADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629922 719092316 /nfs/dbraw/zinc/09/23/16/719092316.db2.gz UFUDNYWSOGNYBO-LPHOPBHVSA-N 0 3 429.902 4.324 20 0 IIADHN O=C(c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630523 719099844 /nfs/dbraw/zinc/09/98/44/719099844.db2.gz WTZCIHIBTHLVQG-REWPJTCUSA-N 0 3 439.003 4.462 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)c2c1CCNC2 ZINC001164680554 719646623 /nfs/dbraw/zinc/64/66/23/719646623.db2.gz VWLDSZWVIQBLPG-UHFFFAOYSA-N 0 3 446.933 4.077 20 0 IIADHN c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c3)n2)c1 ZINC001164735678 720461807 /nfs/dbraw/zinc/46/18/07/720461807.db2.gz XLIZRUDWJISTLG-RTBURBONSA-N 0 3 430.537 4.108 20 0 IIADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730209 720465770 /nfs/dbraw/zinc/46/57/70/720465770.db2.gz SVAFRMMDVUXVNU-CLJLJLNGSA-N 0 3 440.595 4.382 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@H]2C ZINC001164857195 720970134 /nfs/dbraw/zinc/97/01/34/720970134.db2.gz CWAVLLYLTZLCKU-SFHVURJKSA-N 0 3 447.562 4.237 20 0 IIADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872045 721175088 /nfs/dbraw/zinc/17/50/88/721175088.db2.gz GETOCQOSWUJPIU-IRXDYDNUSA-N 0 3 445.901 4.096 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772411 721199607 /nfs/dbraw/zinc/19/96/07/721199607.db2.gz UOBRYPWVTCPSLL-NHCUHLMSSA-N 0 3 442.542 4.128 20 0 IIADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CCN3C2)c1 ZINC001164910815 721559452 /nfs/dbraw/zinc/55/94/52/721559452.db2.gz XLDZYQMUSARKGQ-MJGOQNOKSA-N 0 3 442.897 4.417 20 0 IIADHN Cc1nc2ccc(F)cc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904880 721695502 /nfs/dbraw/zinc/69/55/02/721695502.db2.gz HELFCQXWANIMQQ-QFIPXVFZSA-N 0 3 427.474 4.210 20 0 IIADHN FC1(F)CCN(c2csc3ncnc(Cl)c23)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907401 721697628 /nfs/dbraw/zinc/69/76/28/721697628.db2.gz SFZINZHKIXKKNV-LJQANCHMSA-N 0 3 435.931 4.477 20 0 IIADHN FC1(F)CCN(c2cc(Cl)nc3ncccc23)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904865 721700855 /nfs/dbraw/zinc/70/08/55/721700855.db2.gz HCGMXDRBQDSDRH-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN Clc1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980729 722099820 /nfs/dbraw/zinc/09/98/20/722099820.db2.gz KAPJTMXTYGNODG-UZLBHIALSA-N 0 3 444.366 4.059 20 0 IIADHN FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984707 722103076 /nfs/dbraw/zinc/10/30/76/722103076.db2.gz UCKWAKQNWWQVLY-MAUKXSAKSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976370 722116365 /nfs/dbraw/zinc/11/63/65/722116365.db2.gz LMCAVLOAYCXJFY-JXFKEZNVSA-N 0 3 444.366 4.059 20 0 IIADHN FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982183 722116559 /nfs/dbraw/zinc/11/65/59/722116559.db2.gz WGMLMMVYAUBXFU-DOTOQJQBSA-N 0 3 443.325 4.056 20 0 IIADHN c1ccc(CSc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982589 722146419 /nfs/dbraw/zinc/14/64/19/722146419.db2.gz RRJCHVONZCLQQR-NOZRDPDXSA-N 0 3 446.620 4.496 20 0 IIADHN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972232 722153404 /nfs/dbraw/zinc/15/34/04/722153404.db2.gz HKYFBYDGARBSAI-VDGAXYAQSA-N 0 3 429.996 4.074 20 0 IIADHN O=C(NCC1CC1)C1=CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccccc21 ZINC001164997877 722220911 /nfs/dbraw/zinc/22/09/11/722220911.db2.gz DSPUSPZUQHVNDI-UHFFFAOYSA-N 0 3 442.607 4.139 20 0 IIADHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164998657 722221729 /nfs/dbraw/zinc/22/17/29/722221729.db2.gz LFSMGRQCQIQCAX-RUZDIDTESA-N 0 3 430.596 4.258 20 0 IIADHN Cc1ccccc1C[C@@H](CO)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000466903319 1126093949 /nfs/dbraw/zinc/09/39/49/1126093949.db2.gz SAAXXMQXVBYSEV-QFIPXVFZSA-N 0 3 441.369 4.425 20 0 IIADHN O[C@H](C(F)F)[C@H](Cc1ccccc1)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997670 1126095534 /nfs/dbraw/zinc/09/55/34/1126095534.db2.gz VKMWPPVLIZPIBB-OALUTQOASA-N 0 3 425.401 4.218 20 0 IIADHN OC[C@H](Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000604766750 1126100438 /nfs/dbraw/zinc/10/04/38/1126100438.db2.gz PHRYBHORYPPKGF-KRWDZBQOSA-N 0 3 425.330 4.014 20 0 IIADHN OC[C@H](C[C@H](O)c1ccccc1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078197 1126106937 /nfs/dbraw/zinc/10/69/37/1126106937.db2.gz CGHYFBVMPQHEEQ-HKUYNNGSSA-N 0 3 433.371 4.147 20 0 IIADHN OC[C@@H](C[C@H](O)c1ccccc1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078199 1126107061 /nfs/dbraw/zinc/10/70/61/1126107061.db2.gz CGHYFBVMPQHEEQ-MJGOQNOKSA-N 0 3 433.371 4.147 20 0 IIADHN COc1ccccc1C[C@](C)(CO)NCc1cccc(Br)c1OC(F)F ZINC001175706468 1126149197 /nfs/dbraw/zinc/14/91/97/1126149197.db2.gz FVVZZXKUFJRVPV-LJQANCHMSA-N 0 3 430.289 4.142 20 0 IIADHN COc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998122 1126201240 /nfs/dbraw/zinc/20/12/40/1126201240.db2.gz BHDKYNNWDOYWTF-CRAIPNDOSA-N 0 3 437.380 4.260 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC001164626534 719075962 /nfs/dbraw/zinc/07/59/62/719075962.db2.gz OGIGJODYUYCGGE-LPHOPBHVSA-N 0 3 435.902 4.167 20 0 IIADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164623324 719114788 /nfs/dbraw/zinc/11/47/88/719114788.db2.gz CMJJMTRBORUMOV-HOTGVXAUSA-N 0 3 449.958 4.471 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)c2c1CCNC2 ZINC001164679507 719641554 /nfs/dbraw/zinc/64/15/54/719641554.db2.gz DGUCSWYZMJQJQV-UHFFFAOYSA-N 0 3 446.933 4.077 20 0 IIADHN COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2C)cc1 ZINC001164725753 720427691 /nfs/dbraw/zinc/42/76/91/720427691.db2.gz AXMTXOXXAFRHLU-DNQXCXABSA-N 0 3 428.536 4.092 20 0 IIADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164728525 720441618 /nfs/dbraw/zinc/44/16/18/720441618.db2.gz FOCUXYODZFIUSB-YADHBBJMSA-N 0 3 433.943 4.236 20 0 IIADHN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836599 720737367 /nfs/dbraw/zinc/73/73/67/720737367.db2.gz FEFPHOHREPBYHK-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164862361 720968556 /nfs/dbraw/zinc/96/85/56/720968556.db2.gz RZAUHJUBVNTEOO-IBGZPJMESA-N 0 3 429.572 4.098 20 0 IIADHN Cc1sc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164773832 721202249 /nfs/dbraw/zinc/20/22/49/721202249.db2.gz XIZFXZHFJTZHSQ-RTWAWAEBSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1nc(COC[C@H]2CCC[C@]23CN(c2ncccc2CN2CCCC2)CCO3)cs1 ZINC001164784483 721445481 /nfs/dbraw/zinc/44/54/81/721445481.db2.gz QGSPQOKJJBDMPE-QPPBQGQZSA-N 0 3 442.629 4.035 20 0 IIADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)o2)cc1 ZINC001164906566 721554766 /nfs/dbraw/zinc/55/47/66/721554766.db2.gz KCKUPUHNTLCLOM-FPOVZHCZSA-N 0 3 445.498 4.074 20 0 IIADHN Cc1nc2ccc(F)cc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904876 721696074 /nfs/dbraw/zinc/69/60/74/721696074.db2.gz HELFCQXWANIMQQ-JOCHJYFZSA-N 0 3 427.474 4.210 20 0 IIADHN O=C(C1=CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccccc21)N1CCCC1 ZINC001164928794 721899632 /nfs/dbraw/zinc/89/96/32/721899632.db2.gz PHTDTVYWMUQEHK-UHFFFAOYSA-N 0 3 442.607 4.235 20 0 IIADHN CN(Cc1ccc(N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc1)C1CC1 ZINC001164929817 721899679 /nfs/dbraw/zinc/89/96/79/721899679.db2.gz XCCSJPNFKWQJNZ-UHFFFAOYSA-N 0 3 442.607 4.233 20 0 IIADHN CC(C)c1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc(C(C)(C)C)n1 ZINC001164961630 722060839 /nfs/dbraw/zinc/06/08/39/722060839.db2.gz NFKOLCOMVFZDRY-UHFFFAOYSA-N 0 3 437.632 4.412 20 0 IIADHN Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984739 722099392 /nfs/dbraw/zinc/09/93/92/722099392.db2.gz UHTQXVFDDFEHOJ-LAUBAEHRSA-N 0 3 426.923 4.150 20 0 IIADHN COc1cccc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164981567 722099691 /nfs/dbraw/zinc/09/96/91/722099691.db2.gz LSSRHDXTSINODO-GCJKJVERSA-N 0 3 438.959 4.019 20 0 IIADHN Clc1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980727 722099933 /nfs/dbraw/zinc/09/99/33/722099933.db2.gz KAPJTMXTYGNODG-OXQOHEQNSA-N 0 3 444.366 4.059 20 0 IIADHN FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982186 722116695 /nfs/dbraw/zinc/11/66/95/722116695.db2.gz WGMLMMVYAUBXFU-NVXWUHKLSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1ccc2c(Cl)nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979594 722150042 /nfs/dbraw/zinc/15/00/42/722150042.db2.gz LKSHWVQVKWUBKZ-UZLBHIALSA-N 0 3 444.366 4.059 20 0 IIADHN O=C(NCC1CC1)C1=CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccccc21 ZINC001164999436 722220869 /nfs/dbraw/zinc/22/08/69/722220869.db2.gz QZYVNQSQUVLBDF-UHFFFAOYSA-N 0 3 442.607 4.139 20 0 IIADHN Cc1nc(-c2ccccc2)oc1CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001196105353 1126153588 /nfs/dbraw/zinc/15/35/88/1126153588.db2.gz VFXXIBHYLUAYQT-JOCHJYFZSA-N 0 3 427.342 4.422 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2ccc(Br)cc2Cl)cc1OC ZINC001198228332 1126155555 /nfs/dbraw/zinc/15/55/55/1126155555.db2.gz DWVGZTNKPAEXHT-LJQANCHMSA-N 0 3 428.754 4.203 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2cccc(Br)c2OC(F)F)cc1 ZINC001198219825 1126155025 /nfs/dbraw/zinc/15/50/25/1126155025.db2.gz SRDXGUDOARHSGU-IBGZPJMESA-N 0 3 430.289 4.142 20 0 IIADHN COc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998738 1126201159 /nfs/dbraw/zinc/20/11/59/1126201159.db2.gz KJKSUUIVWUDGDV-NZQKXSOJSA-N 0 3 446.469 4.293 20 0 IIADHN COc1ccccc1C[C@@](C)(CO)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001474227263 1126203453 /nfs/dbraw/zinc/20/34/53/1126203453.db2.gz RRLVRRVXSFQPOM-QFIPXVFZSA-N 0 3 433.474 4.042 20 0 IIADHN OC[C@]1(NCc2cccc(Br)c2F)CCc2cc(Br)ccc2C1 ZINC001560532383 1126211840 /nfs/dbraw/zinc/21/18/40/1126211840.db2.gz ISMFCXSEBLOHLE-SFHVURJKSA-N 0 3 443.154 4.360 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2cc(OC(F)F)ccc2Br)cc1 ZINC001560579829 1126213232 /nfs/dbraw/zinc/21/32/32/1126213232.db2.gz BHQGVPRJCOMGNN-LJQANCHMSA-N 0 3 430.289 4.142 20 0 IIADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021992 1126244307 /nfs/dbraw/zinc/24/43/07/1126244307.db2.gz FNCAQLUMOJWXCE-CLOONOSVSA-N 0 3 446.563 4.060 20 0 IIADHN CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc(Cl)cc4)cc(c32)C1=O ZINC000028712246 563062902 /nfs/dbraw/zinc/06/29/02/563062902.db2.gz BDKGJWOUPHUASR-UHFFFAOYSA-N 0 3 436.899 4.295 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)c2c1CCNC2 ZINC001164679467 719645397 /nfs/dbraw/zinc/64/53/97/719645397.db2.gz BMPDULNOAAJKEZ-UHFFFAOYSA-N 0 3 446.933 4.077 20 0 IIADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164728516 720442189 /nfs/dbraw/zinc/44/21/89/720442189.db2.gz FOCUXYODZFIUSB-FCHUYYIVSA-N 0 3 433.943 4.236 20 0 IIADHN c1csc(-c2noc(-c3ccnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c3)n2)c1 ZINC001164735676 720461526 /nfs/dbraw/zinc/46/15/26/720461526.db2.gz XLIZRUDWJISTLG-OALUTQOASA-N 0 3 430.537 4.108 20 0 IIADHN c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164722952 720475220 /nfs/dbraw/zinc/47/52/20/720475220.db2.gz BMXXUNKQVPTUSI-CLJLJLNGSA-N 0 3 437.547 4.457 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2C ZINC001164857194 720968896 /nfs/dbraw/zinc/96/88/96/720968896.db2.gz CWAVLLYLTZLCKU-GOSISDBHSA-N 0 3 447.562 4.237 20 0 IIADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164881209 721164384 /nfs/dbraw/zinc/16/43/84/721164384.db2.gz ZWGKIRWTLRUICK-PKTZIBPZSA-N 0 3 437.547 4.172 20 0 IIADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872042 721175518 /nfs/dbraw/zinc/17/55/18/721175518.db2.gz GETOCQOSWUJPIU-IAGOWNOFSA-N 0 3 445.901 4.096 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772409 721200511 /nfs/dbraw/zinc/20/05/11/721200511.db2.gz UOBRYPWVTCPSLL-LEWJYISDSA-N 0 3 442.542 4.128 20 0 IIADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CCN3C2)c1 ZINC001164908660 721564897 /nfs/dbraw/zinc/56/48/97/721564897.db2.gz RLKUTPIEGXJJLY-CTNGQTDRSA-N 0 3 436.556 4.250 20 0 IIADHN CCCN(CCC)c1cncc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908771 721715695 /nfs/dbraw/zinc/71/56/95/721715695.db2.gz ZBBDSGSAQKPSME-QHCPKHFHSA-N 0 3 444.574 4.236 20 0 IIADHN Cc1csc2nc(C)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164909825 721730006 /nfs/dbraw/zinc/73/00/06/721730006.db2.gz DUWZAPZLGHYJAJ-OAQYLSRUSA-N 0 3 429.540 4.441 20 0 IIADHN COc1ccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c(C)cc2c1 ZINC001164960450 722051538 /nfs/dbraw/zinc/05/15/38/722051538.db2.gz NTJPGDBTVVZXDA-UHFFFAOYSA-N 0 3 432.568 4.066 20 0 IIADHN FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983485 722102169 /nfs/dbraw/zinc/10/21/69/722102169.db2.gz QLYDYBQAFCQJEH-CRAIPNDOSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982074 722102259 /nfs/dbraw/zinc/10/22/59/722102259.db2.gz MRJWDFXTRVXWAJ-RDJZCZTQSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1cc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164986257 722107664 /nfs/dbraw/zinc/10/76/64/722107664.db2.gz YNYVDLQSVWAQQO-ZBFHGGJFSA-N 0 3 427.763 4.164 20 0 IIADHN COc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2cc(Cl)ccc12 ZINC001164973827 722118193 /nfs/dbraw/zinc/11/81/93/722118193.db2.gz HHQOLYZDNMOVCP-MBSDFSHPSA-N 0 3 438.959 4.019 20 0 IIADHN Cc1cc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1C ZINC001164982466 722128871 /nfs/dbraw/zinc/12/88/71/722128871.db2.gz WPOYLCBGSGVXNY-KNQAVFIVSA-N 0 3 437.975 4.022 20 0 IIADHN CCCCOc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982259 722135654 /nfs/dbraw/zinc/13/56/54/722135654.db2.gz RLMBEUTZWUNEJP-SIKLNZKXSA-N 0 3 430.980 4.036 20 0 IIADHN Fc1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164972220 722152476 /nfs/dbraw/zinc/15/24/76/722152476.db2.gz HCFLDEMFAZUKLF-AVRDEDQJSA-N 0 3 426.923 4.150 20 0 IIADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc(Br)ccc1F ZINC001460873076 1126193474 /nfs/dbraw/zinc/19/34/74/1126193474.db2.gz WQGCVXXGPQFXLF-KRWDZBQOSA-N 0 3 431.143 4.434 20 0 IIADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021995 1126244343 /nfs/dbraw/zinc/24/43/43/1126244343.db2.gz FNCAQLUMOJWXCE-UQBPGWFLSA-N 0 3 446.563 4.060 20 0 IIADHN O=C(Cc1c[nH]c2ccc(Br)cc12)NC1CCN(Cc2ccccc2)CC1 ZINC000013470598 562987785 /nfs/dbraw/zinc/98/77/85/562987785.db2.gz HSNJPOOHNGHKMX-UHFFFAOYSA-N 0 3 426.358 4.254 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC2)CC1 ZINC001164614093 719022324 /nfs/dbraw/zinc/02/23/24/719022324.db2.gz NCPNAFQDERDRNA-UHFFFAOYSA-N 0 3 436.330 4.177 20 0 IIADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164623552 719075490 /nfs/dbraw/zinc/07/54/90/719075490.db2.gz JSEOWYLFKGMLLG-AEFFLSMTSA-N 0 3 435.902 4.167 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC001164626539 719076073 /nfs/dbraw/zinc/07/60/73/719076073.db2.gz OGIGJODYUYCGGE-VQIMIIECSA-N 0 3 435.902 4.167 20 0 IIADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730210 720465942 /nfs/dbraw/zinc/46/59/42/720465942.db2.gz SVAFRMMDVUXVNU-FTJBHMTQSA-N 0 3 440.595 4.382 20 0 IIADHN c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164722954 720476062 /nfs/dbraw/zinc/47/60/62/720476062.db2.gz BMXXUNKQVPTUSI-FTJBHMTQSA-N 0 3 437.547 4.457 20 0 IIADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164881210 721164509 /nfs/dbraw/zinc/16/45/09/721164509.db2.gz ZWGKIRWTLRUICK-XZOQPEGZSA-N 0 3 437.547 4.172 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771836 721223665 /nfs/dbraw/zinc/22/36/65/721223665.db2.gz RCQJZEBAQPYNLR-VQTJNVASSA-N 0 3 436.991 4.106 20 0 IIADHN Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ccc(CN4CCCC4)cn2)CCO3)cs1 ZINC001164784765 721444831 /nfs/dbraw/zinc/44/48/31/721444831.db2.gz QOEOBGIYJPDPCO-XUZZJYLKSA-N 0 3 442.629 4.035 20 0 IIADHN FC1(F)CCN(c2nccc3c(Cl)ccnc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906693 721587555 /nfs/dbraw/zinc/58/75/55/721587555.db2.gz OPHXBAXULVTWIY-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2nccc3cc(Cl)ncc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904772 721697271 /nfs/dbraw/zinc/69/72/71/721697271.db2.gz GIWGCOSDRRMMRZ-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN CN(Cc1ccc(N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1)C1CC1 ZINC001164961408 722050179 /nfs/dbraw/zinc/05/01/79/722050179.db2.gz ZLJCGWQRDRTFCC-UHFFFAOYSA-N 0 3 439.567 4.165 20 0 IIADHN FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982070 722102178 /nfs/dbraw/zinc/10/21/78/722102178.db2.gz MRJWDFXTRVXWAJ-NVXWUHKLSA-N 0 3 443.325 4.056 20 0 IIADHN Fc1ccc2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985266 722107766 /nfs/dbraw/zinc/10/77/66/722107766.db2.gz VWIYKHXREHYYGY-VGSWGCGISA-N 0 3 426.923 4.150 20 0 IIADHN Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164970905 722112369 /nfs/dbraw/zinc/11/23/69/722112369.db2.gz AMFFNPNXLJBSEE-APWZRJJASA-N 0 3 444.366 4.059 20 0 IIADHN Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980273 722131870 /nfs/dbraw/zinc/13/18/70/722131870.db2.gz MJRWSTPUSQNSHI-IEBWSBKVSA-N 0 3 428.989 4.380 20 0 IIADHN Clc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164983308 722132804 /nfs/dbraw/zinc/13/28/04/722132804.db2.gz TXBGJIIHRRJLDA-IERDGZPVSA-N 0 3 444.366 4.059 20 0 IIADHN CC(C)(C)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164978062 722138681 /nfs/dbraw/zinc/13/86/81/722138681.db2.gz JLUOJQWYQAMCEW-SFTDATJTSA-N 0 3 437.632 4.194 20 0 IIADHN Clc1ccc2c(Cl)ncnc2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972748 722157277 /nfs/dbraw/zinc/15/72/77/722157277.db2.gz JKQATRCQNKMTEL-QFBILLFUSA-N 0 3 444.366 4.059 20 0 IIADHN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977239 722158403 /nfs/dbraw/zinc/15/84/03/722158403.db2.gz YGQFGMRMAYXYBR-WIYYLYMNSA-N 0 3 448.945 4.280 20 0 IIADHN COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974686 722159019 /nfs/dbraw/zinc/15/90/19/722159019.db2.gz OWUMDDJHXCVMKJ-MBSDFSHPSA-N 0 3 438.959 4.019 20 0 IIADHN O[C@H](C(F)F)[C@H](Cc1ccccc1)NCc1ccc(OC(F)F)c(Br)c1 ZINC000507949038 1126095300 /nfs/dbraw/zinc/09/53/00/1126095300.db2.gz FSVHQLCVOCLIFI-HOCLYGCPSA-N 0 3 436.243 4.377 20 0 IIADHN O[C@@H](C(F)F)[C@H](Cc1ccccc1)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997671 1126095601 /nfs/dbraw/zinc/09/56/01/1126095601.db2.gz VKMWPPVLIZPIBB-RBUKOAKNSA-N 0 3 425.401 4.218 20 0 IIADHN COc1c(Br)cc(Br)cc1CN[C@H](CO)Cc1ccccc1C ZINC001178501024 1126151097 /nfs/dbraw/zinc/15/10/97/1126151097.db2.gz KUJPDUVZBULBEX-INIZCTEOSA-N 0 3 443.179 4.222 20 0 IIADHN OC[C@H](Cc1c[nH]c2ccccc12)NCc1cc(Br)ccc1Br ZINC001473999864 1126201373 /nfs/dbraw/zinc/20/13/73/1126201373.db2.gz VMHRDBCTHNKCQY-HNNXBMFYSA-N 0 3 438.163 4.386 20 0 IIADHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000013366240 562985814 /nfs/dbraw/zinc/98/58/14/562985814.db2.gz CLLLYCKXOWVBGE-AREMUKBSSA-N 0 3 439.559 4.165 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)CC1 ZINC001164614797 719021829 /nfs/dbraw/zinc/02/18/29/719021829.db2.gz YMEZUKJUIRFGGF-UHFFFAOYSA-N 0 3 436.330 4.177 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)CC1 ZINC001164614198 719022057 /nfs/dbraw/zinc/02/20/57/719022057.db2.gz PCRZTHRWKJDLKH-UHFFFAOYSA-N 0 3 436.330 4.177 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC2)CC1 ZINC001164616301 719026358 /nfs/dbraw/zinc/02/63/58/719026358.db2.gz AACMEGBKKXFXRJ-UHFFFAOYSA-N 0 3 440.922 4.005 20 0 IIADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164623555 719075753 /nfs/dbraw/zinc/07/57/53/719075753.db2.gz JSEOWYLFKGMLLG-SJLPKXTDSA-N 0 3 435.902 4.167 20 0 IIADHN CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629149 719082423 /nfs/dbraw/zinc/08/24/23/719082423.db2.gz WAHSPHWUTOKWGL-CVEARBPZSA-N 0 3 435.355 4.061 20 0 IIADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729409 720418965 /nfs/dbraw/zinc/41/89/65/720418965.db2.gz HJZJDQSMEJPNSZ-DQEYMECFSA-N 0 3 442.563 4.432 20 0 IIADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730910 720434004 /nfs/dbraw/zinc/43/40/04/720434004.db2.gz JPGBEAHJFGRIRD-WOJBJXKFSA-N 0 3 436.943 4.313 20 0 IIADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164732519 720435680 /nfs/dbraw/zinc/43/56/80/720435680.db2.gz NYWCRVKFRGHINX-FOVJLYNBSA-N 0 3 428.584 4.257 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164770988 721161894 /nfs/dbraw/zinc/16/18/94/721161894.db2.gz RUDRKUJJFXDVDR-PKTZIBPZSA-N 0 3 438.579 4.297 20 0 IIADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764993 721164234 /nfs/dbraw/zinc/16/42/34/721164234.db2.gz HKBOLDKQGITXQO-CVEARBPZSA-N 0 3 446.382 4.242 20 0 IIADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872049 721176362 /nfs/dbraw/zinc/17/63/62/721176362.db2.gz GETOCQOSWUJPIU-SJORKVTESA-N 0 3 445.901 4.096 20 0 IIADHN Clc1cc(C2CCCCC2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874434 721182566 /nfs/dbraw/zinc/18/25/66/721182566.db2.gz JXPKAJJHZPTUFA-UXHICEINSA-N 0 3 427.980 4.052 20 0 IIADHN Clc1cc(C2CCCCC2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874435 721183584 /nfs/dbraw/zinc/18/35/84/721183584.db2.gz JXPKAJJHZPTUFA-VQTJNVASSA-N 0 3 427.980 4.052 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164767630 721183754 /nfs/dbraw/zinc/18/37/54/721183754.db2.gz KFYMIQPOUHCFSN-RTWAWAEBSA-N 0 3 437.975 4.006 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)n2)s1 ZINC001164772337 721211420 /nfs/dbraw/zinc/21/14/20/721211420.db2.gz SHRVXHCNVQEOKW-WOJBJXKFSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)n2)s1 ZINC001164772336 721212248 /nfs/dbraw/zinc/21/22/48/721212248.db2.gz SHRVXHCNVQEOKW-VQTJNVASSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771835 721223466 /nfs/dbraw/zinc/22/34/66/721223466.db2.gz RCQJZEBAQPYNLR-UXHICEINSA-N 0 3 436.991 4.106 20 0 IIADHN FC1(F)CCN(c2ncnc3ccc(Cl)cc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906212 721691752 /nfs/dbraw/zinc/69/17/52/721691752.db2.gz MERBAUCQPNTOQS-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN CC(C)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(C(C)(C)C)n1 ZINC001164960674 722061118 /nfs/dbraw/zinc/06/11/18/722061118.db2.gz GWKTURDXXJDYPM-UHFFFAOYSA-N 0 3 437.632 4.412 20 0 IIADHN Fc1ccc2cc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983427 722107955 /nfs/dbraw/zinc/10/79/55/722107955.db2.gz QBJIXJHFQMXCDE-NQIIRXRSSA-N 0 3 426.923 4.150 20 0 IIADHN COc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164973823 722118326 /nfs/dbraw/zinc/11/83/26/722118326.db2.gz HHQOLYZDNMOVCP-FDDCHVKYSA-N 0 3 438.959 4.019 20 0 IIADHN COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984194 722130952 /nfs/dbraw/zinc/13/09/52/722130952.db2.gz WIFYVBWNFUHEJU-XMSQKQJNSA-N 0 3 438.959 4.019 20 0 IIADHN CN(Cc1ccc(N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1)C1CC1 ZINC001164998043 722221593 /nfs/dbraw/zinc/22/15/93/722221593.db2.gz GXVWYCHYNLTIEW-RUZDIDTESA-N 0 3 430.596 4.256 20 0 IIADHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164997957 722222009 /nfs/dbraw/zinc/22/20/09/722222009.db2.gz FCXVVWHYQUVKTD-XMMPIXPASA-N 0 3 430.596 4.258 20 0 IIADHN COc1ccc(-c2cc(CN[C@](C)(CO)Cc3ccc(Br)cc3)on2)cc1 ZINC001176586136 1126149398 /nfs/dbraw/zinc/14/93/98/1126149398.db2.gz AHBBCBUYYGMJOX-NRFANRHFSA-N 0 3 431.330 4.196 20 0 IIADHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473840194 1126200543 /nfs/dbraw/zinc/20/05/43/1126200543.db2.gz SGOYOUHHMDNTEC-NRFANRHFSA-N 0 3 430.321 4.129 20 0 IIADHN COc1ccc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)c(Br)c1 ZINC001560182238 1126208302 /nfs/dbraw/zinc/20/83/02/1126208302.db2.gz BQBWOEGLEQXIIT-GOSISDBHSA-N 0 3 443.179 4.304 20 0 IIADHN OC[C@@]1(NCc2cccc(Br)c2F)CCc2cc(Br)ccc2C1 ZINC001560532382 1126211833 /nfs/dbraw/zinc/21/18/33/1126211833.db2.gz ISMFCXSEBLOHLE-GOSISDBHSA-N 0 3 443.154 4.360 20 0 IIADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164623553 719076049 /nfs/dbraw/zinc/07/60/49/719076049.db2.gz JSEOWYLFKGMLLG-FUHWJXTLSA-N 0 3 435.902 4.167 20 0 IIADHN COc1cc2cnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)cc2cc1OC ZINC001164707515 719899182 /nfs/dbraw/zinc/89/91/82/719899182.db2.gz SKJIOOVGIKYDNL-UHFFFAOYSA-N 0 3 439.581 4.185 20 0 IIADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164732523 720436701 /nfs/dbraw/zinc/43/67/01/720436701.db2.gz NYWCRVKFRGHINX-YGOYIFOWSA-N 0 3 428.584 4.257 20 0 IIADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164881208 721166021 /nfs/dbraw/zinc/16/60/21/721166021.db2.gz ZWGKIRWTLRUICK-GOTSBHOMSA-N 0 3 437.547 4.172 20 0 IIADHN CSc1nc2c(c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n1)CCCC2 ZINC001164907497 721701625 /nfs/dbraw/zinc/70/16/25/721701625.db2.gz UUIQBSDSMJJKGG-JOCHJYFZSA-N 0 3 445.583 4.210 20 0 IIADHN FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980742 722103502 /nfs/dbraw/zinc/10/35/02/722103502.db2.gz KEWKNWFMTJVSMT-NVXWUHKLSA-N 0 3 443.325 4.056 20 0 IIADHN Fc1ccc2cc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983428 722107802 /nfs/dbraw/zinc/10/78/02/722107802.db2.gz QBJIXJHFQMXCDE-RXVVDRJESA-N 0 3 426.923 4.150 20 0 IIADHN Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976378 722116683 /nfs/dbraw/zinc/11/66/83/722116683.db2.gz LMCAVLOAYCXJFY-UZLBHIALSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978252 722119151 /nfs/dbraw/zinc/11/91/51/722119151.db2.gz OCKSIUAPRXFONV-NQIIRXRSSA-N 0 3 426.923 4.150 20 0 IIADHN Clc1cnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164971860 722121425 /nfs/dbraw/zinc/12/14/25/722121425.db2.gz CUWIOTYJZTYVGS-HOCLYGCPSA-N 0 3 427.763 4.164 20 0 IIADHN CCCCOc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982262 722135390 /nfs/dbraw/zinc/13/53/90/722135390.db2.gz RLMBEUTZWUNEJP-UGKGYDQZSA-N 0 3 430.980 4.036 20 0 IIADHN c1ccc(CSc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982593 722146169 /nfs/dbraw/zinc/14/61/69/722146169.db2.gz RRJCHVONZCLQQR-UKILVPOCSA-N 0 3 446.620 4.496 20 0 IIADHN Fc1cc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164972223 722152666 /nfs/dbraw/zinc/15/26/66/722152666.db2.gz HCFLDEMFAZUKLF-XMSQKQJNSA-N 0 3 426.923 4.150 20 0 IIADHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164998659 722221664 /nfs/dbraw/zinc/22/16/64/722221664.db2.gz LFSMGRQCQIQCAX-VWLOTQADSA-N 0 3 430.596 4.258 20 0 IIADHN CCO[C@H]1C[C@@](CO)(NCc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025624 1126156828 /nfs/dbraw/zinc/15/68/28/1126156828.db2.gz XSCWQMKUYWVEET-LPHOPBHVSA-N 0 3 425.392 4.228 20 0 IIADHN Cc1nn(-c2ccccc2Br)cc1CN[C@](C)(CO)Cc1ccccc1F ZINC001203283039 1126158249 /nfs/dbraw/zinc/15/82/49/1126158249.db2.gz OEPLKGPHIBDEIT-NRFANRHFSA-N 0 3 432.337 4.166 20 0 IIADHN COc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998124 1126201193 /nfs/dbraw/zinc/20/11/93/1126201193.db2.gz BHDKYNNWDOYWTF-QAPCUYQASA-N 0 3 437.380 4.260 20 0 IIADHN COc1c(Br)cc(Br)cc1CN[C@H](CO)Cc1cccc(C)c1 ZINC001560441169 1126210897 /nfs/dbraw/zinc/21/08/97/1126210897.db2.gz SHTDQVREGJMNHV-INIZCTEOSA-N 0 3 443.179 4.222 20 0 IIADHN COc1ccccc1C[C@](C)(CO)NCc1cn(-c2ccc(Br)cc2)nc1C ZINC001560548584 1126212769 /nfs/dbraw/zinc/21/27/69/1126212769.db2.gz TWRDFUFUMIEVHB-JOCHJYFZSA-N 0 3 444.373 4.035 20 0 IIADHN O[C@H](COc1ccccc1)CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043018330 563117048 /nfs/dbraw/zinc/11/70/48/563117048.db2.gz CZFBPJXRVVEFJL-INIZCTEOSA-N 0 3 429.866 4.082 20 0 IIADHN COC(=O)c1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627937 719070088 /nfs/dbraw/zinc/07/00/88/719070088.db2.gz RLQGTJHBMUNMMU-QFBILLFUSA-N 0 3 435.902 4.167 20 0 IIADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629921 719092039 /nfs/dbraw/zinc/09/20/39/719092039.db2.gz UFUDNYWSOGNYBO-APWZRJJASA-N 0 3 429.902 4.324 20 0 IIADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764997 721163982 /nfs/dbraw/zinc/16/39/82/721163982.db2.gz HKBOLDKQGITXQO-HZPDHXFCSA-N 0 3 446.382 4.242 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772368 721203629 /nfs/dbraw/zinc/20/36/29/721203629.db2.gz TVVTVAGKOSTONY-QUCCMNQESA-N 0 3 430.581 4.050 20 0 IIADHN Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccc(CN(C)C4CC4)cn2)CCO3)cs1 ZINC001164785055 721444909 /nfs/dbraw/zinc/44/49/09/721444909.db2.gz RLGMVRKJSLQYTB-HYBUGGRVSA-N 0 3 442.629 4.033 20 0 IIADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)o2)cc1 ZINC001164906564 721555493 /nfs/dbraw/zinc/55/54/93/721555493.db2.gz KCKUPUHNTLCLOM-CTNGQTDRSA-N 0 3 445.498 4.074 20 0 IIADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CCN3C2)c1 ZINC001164910822 721558906 /nfs/dbraw/zinc/55/89/06/721558906.db2.gz XLDZYQMUSARKGQ-PKOBYXMFSA-N 0 3 442.897 4.417 20 0 IIADHN FC1(F)CCN(c2ncnc3c(Cl)cccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906987 721693141 /nfs/dbraw/zinc/69/31/41/721693141.db2.gz QCISOAFUKBEXFU-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2ncnc3cc(Cl)ccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907066 721698296 /nfs/dbraw/zinc/69/82/96/721698296.db2.gz QVDWJSYCGPGWPJ-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN CCc1cc2c(ncnc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)s1 ZINC001164905558 721703062 /nfs/dbraw/zinc/70/30/62/721703062.db2.gz JVOIKJUSIOCTJZ-OAQYLSRUSA-N 0 3 429.540 4.386 20 0 IIADHN CSc1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908931 721709661 /nfs/dbraw/zinc/70/96/61/721709661.db2.gz ZORQIYDRRVYPGX-JOCHJYFZSA-N 0 3 441.551 4.484 20 0 IIADHN CCOC(=O)c1c(C)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C ZINC001164904982 721711112 /nfs/dbraw/zinc/71/11/12/721711112.db2.gz GHELFWFRPJNMOK-HSZRJFAPSA-N 0 3 444.526 4.008 20 0 IIADHN FC1(F)CCN(c2ccnc(Cc3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913980 721728441 /nfs/dbraw/zinc/72/84/41/721728441.db2.gz ZVUMXDDFNWNISW-XMMPIXPASA-N 0 3 435.522 4.200 20 0 IIADHN FC1(F)CCN(c2nc(C3CCC3)nc3[nH]ccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913545 721738544 /nfs/dbraw/zinc/73/85/44/721738544.db2.gz WXMXRJAAXOZDEJ-HSZRJFAPSA-N 0 3 438.526 4.358 20 0 IIADHN Cc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc(Cl)n1 ZINC001164961958 722052409 /nfs/dbraw/zinc/05/24/09/722052409.db2.gz ZVSMPOSXETUQMB-UHFFFAOYSA-N 0 3 436.934 4.102 20 0 IIADHN FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985831 722101612 /nfs/dbraw/zinc/10/16/12/722101612.db2.gz XBMFDKXVGUEJHK-WBVHZDCISA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985257 722101683 /nfs/dbraw/zinc/10/16/83/722101683.db2.gz VUCLJFFBPZJSFZ-MAUKXSAKSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982145 722102944 /nfs/dbraw/zinc/10/29/44/722102944.db2.gz MZAZAWIMCPJARV-YJBOKZPZSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982193 722116260 /nfs/dbraw/zinc/11/62/60/722116260.db2.gz WGMLMMVYAUBXFU-WBVHZDCISA-N 0 3 443.325 4.056 20 0 IIADHN Fc1cccc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164977896 722155205 /nfs/dbraw/zinc/15/52/05/722155205.db2.gz ZDWREODKQGXMOG-LAUBAEHRSA-N 0 3 426.923 4.150 20 0 IIADHN COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974688 722159147 /nfs/dbraw/zinc/15/91/47/722159147.db2.gz OWUMDDJHXCVMKJ-WZONZLPQSA-N 0 3 438.959 4.019 20 0 IIADHN CN(Cc1ccc(N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)nc1)C1CC1 ZINC001164998046 722222001 /nfs/dbraw/zinc/22/20/01/722222001.db2.gz GXVWYCHYNLTIEW-VWLOTQADSA-N 0 3 430.596 4.256 20 0 IIADHN Cc1nn(C(C)(C)C)c2nc(Cl)c(CN[C@@H](CO)Cc3c[nH]c4ccccc34)cc12 ZINC001177829291 1126150669 /nfs/dbraw/zinc/15/06/69/1126150669.db2.gz MTGPMNROBWRQEZ-QGZVFWFLSA-N 0 3 425.964 4.323 20 0 IIADHN COCO[C@H](C)c1cc(F)c(CN[C@H](CO)Cc2ccccc2C)cc1Br ZINC001202024724 1126156884 /nfs/dbraw/zinc/15/68/84/1126156884.db2.gz FWQCNMZGXKAUOR-QAPCUYQASA-N 0 3 440.353 4.271 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2cccc(Br)c2OC(F)F)cc1 ZINC001198219826 1126155079 /nfs/dbraw/zinc/15/50/79/1126155079.db2.gz SRDXGUDOARHSGU-LJQANCHMSA-N 0 3 430.289 4.142 20 0 IIADHN CCOC(=O)c1oc2ccccc2c1CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC001460864406 1126192551 /nfs/dbraw/zinc/19/25/51/1126192551.db2.gz XMAHVUOACPZUQG-QFIPXVFZSA-N 0 3 446.341 4.455 20 0 IIADHN OC[C@@]1(NCc2cnc(-c3c(F)cccc3F)s2)CCCN(Cc2ccccc2)C1 ZINC001461204524 1126194077 /nfs/dbraw/zinc/19/40/77/1126194077.db2.gz PUIWIKWJUCWPHU-HSZRJFAPSA-N 0 3 429.536 4.205 20 0 IIADHN c1ccc(-c2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164865378 721083981 /nfs/dbraw/zinc/08/39/81/721083981.db2.gz KQNGVEJGKCDRJY-DHIUTWEWSA-N 0 3 437.547 4.172 20 0 IIADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164881207 721164220 /nfs/dbraw/zinc/16/42/20/721164220.db2.gz ZWGKIRWTLRUICK-DHIUTWEWSA-N 0 3 437.547 4.172 20 0 IIADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764995 721165727 /nfs/dbraw/zinc/16/57/27/721165727.db2.gz HKBOLDKQGITXQO-HOTGVXAUSA-N 0 3 446.382 4.242 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@H]3C2)cn1 ZINC001164767627 721184216 /nfs/dbraw/zinc/18/42/16/721184216.db2.gz KFYMIQPOUHCFSN-NHCUHLMSSA-N 0 3 437.975 4.006 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772417 721200853 /nfs/dbraw/zinc/20/08/53/721200853.db2.gz UOBRYPWVTCPSLL-SFTDATJTSA-N 0 3 442.542 4.128 20 0 IIADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CCN3C2)c1 ZINC001164903834 721532442 /nfs/dbraw/zinc/53/24/42/721532442.db2.gz DGTIDJIBRGKHEY-ICSRJNTNSA-N 0 3 429.499 4.106 20 0 IIADHN CCOc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164907553 721558987 /nfs/dbraw/zinc/55/89/87/721558987.db2.gz OJLRZHJKLHZGLK-NZQKXSOJSA-N 0 3 434.515 4.023 20 0 IIADHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001165025313 721820176 /nfs/dbraw/zinc/82/01/76/721820176.db2.gz MGLAVWMUJJLESZ-VNQPRFMTSA-N 0 3 439.963 4.096 20 0 IIADHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001165025313 721820178 /nfs/dbraw/zinc/82/01/78/721820178.db2.gz MGLAVWMUJJLESZ-VNQPRFMTSA-N 0 3 439.963 4.096 20 0 IIADHN Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984740 722099279 /nfs/dbraw/zinc/09/92/79/722099279.db2.gz UHTQXVFDDFEHOJ-UTKZUKDTSA-N 0 3 426.923 4.150 20 0 IIADHN FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984706 722102825 /nfs/dbraw/zinc/10/28/25/722102825.db2.gz UCKWAKQNWWQVLY-CRAIPNDOSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976374 722116318 /nfs/dbraw/zinc/11/63/18/722116318.db2.gz LMCAVLOAYCXJFY-OXQOHEQNSA-N 0 3 444.366 4.059 20 0 IIADHN Clc1cnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164971859 722121654 /nfs/dbraw/zinc/12/16/54/722121654.db2.gz CUWIOTYJZTYVGS-GOEBONIOSA-N 0 3 427.763 4.164 20 0 IIADHN Clc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164983307 722132144 /nfs/dbraw/zinc/13/21/44/722132144.db2.gz TXBGJIIHRRJLDA-HRAATJIYSA-N 0 3 444.366 4.059 20 0 IIADHN Clc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164983309 722132330 /nfs/dbraw/zinc/13/23/30/722132330.db2.gz TXBGJIIHRRJLDA-IIBYNOLFSA-N 0 3 444.366 4.059 20 0 IIADHN Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976087 722144886 /nfs/dbraw/zinc/14/48/86/722144886.db2.gz HAXNIRSPULDYLY-FCHUYYIVSA-N 0 3 449.986 4.228 20 0 IIADHN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972230 722153370 /nfs/dbraw/zinc/15/33/70/722153370.db2.gz HKYFBYDGARBSAI-FFZOFVMBSA-N 0 3 429.996 4.074 20 0 IIADHN COC(=O)c1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c2ccccc2c1OC ZINC001164997833 722210856 /nfs/dbraw/zinc/21/08/56/722210856.db2.gz SITMCENSTGDOHZ-AREMUKBSSA-N 0 3 449.526 4.414 20 0 IIADHN OC[C@@]1(NCc2cccc(F)c2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001171949807 1126148944 /nfs/dbraw/zinc/14/89/44/1126148944.db2.gz ZULGIKRGBSWZSW-LJQANCHMSA-N 0 3 430.264 4.199 20 0 IIADHN CCOC(=O)c1oc2ccccc2c1CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001460864402 1126192707 /nfs/dbraw/zinc/19/27/07/1126192707.db2.gz XMAHVUOACPZUQG-JOCHJYFZSA-N 0 3 446.341 4.455 20 0 IIADHN OC[C@]1(NCc2sccc2Br)CCc2cc(Br)ccc2C1 ZINC001461632052 1126195429 /nfs/dbraw/zinc/19/54/29/1126195429.db2.gz WPTMYZHHKWLNSA-INIZCTEOSA-N 0 3 431.193 4.283 20 0 IIADHN O=C(Nc1ccc(F)cc1)[C@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000022770769 527203480 /nfs/dbraw/zinc/20/34/80/527203480.db2.gz JVZNLSSWIORLMU-HSZRJFAPSA-N 0 3 425.548 4.130 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC2)CC1 ZINC001164617530 719036237 /nfs/dbraw/zinc/03/62/37/719036237.db2.gz LNXDWGOTEYZXST-UHFFFAOYSA-N 0 3 441.950 4.401 20 0 IIADHN CNC(=O)CN1CCCC12CCN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)CC2 ZINC001164689814 719738837 /nfs/dbraw/zinc/73/88/37/719738837.db2.gz KCOOBDPZKSANQB-UHFFFAOYSA-N 0 3 449.986 4.131 20 0 IIADHN c1ccc(CSc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164878944 721159254 /nfs/dbraw/zinc/15/92/54/721159254.db2.gz RAGJHKMQJVXUGX-GOTSBHOMSA-N 0 3 432.593 4.249 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164770984 721163069 /nfs/dbraw/zinc/16/30/69/721163069.db2.gz RUDRKUJJFXDVDR-DHIUTWEWSA-N 0 3 438.579 4.297 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771834 721222841 /nfs/dbraw/zinc/22/28/41/721222841.db2.gz RCQJZEBAQPYNLR-PMACEKPBSA-N 0 3 436.991 4.106 20 0 IIADHN CCOc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164907554 721558973 /nfs/dbraw/zinc/55/89/73/721558973.db2.gz OJLRZHJKLHZGLK-OFNKIYASSA-N 0 3 434.515 4.023 20 0 IIADHN CC(C)(C)OC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904928 721703666 /nfs/dbraw/zinc/70/36/66/721703666.db2.gz FRIGONRBYXHNNZ-QHCPKHFHSA-N 0 3 444.526 4.170 20 0 IIADHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001165025311 721820535 /nfs/dbraw/zinc/82/05/35/721820535.db2.gz MGLAVWMUJJLESZ-NUEKZKHPSA-N 0 3 439.963 4.096 20 0 IIADHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001165025311 721820537 /nfs/dbraw/zinc/82/05/37/721820537.db2.gz MGLAVWMUJJLESZ-NUEKZKHPSA-N 0 3 439.963 4.096 20 0 IIADHN Cc1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164962374 722056779 /nfs/dbraw/zinc/05/67/79/722056779.db2.gz DIMKUOILZGWYAA-UHFFFAOYSA-N 0 3 436.934 4.102 20 0 IIADHN FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985260 722101561 /nfs/dbraw/zinc/10/15/61/722101561.db2.gz VUCLJFFBPZJSFZ-YJBOKZPZSA-N 0 3 443.325 4.056 20 0 IIADHN Cc1cc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1C ZINC001164982465 722128658 /nfs/dbraw/zinc/12/86/58/722128658.db2.gz WPOYLCBGSGVXNY-DENIHFKCSA-N 0 3 437.975 4.022 20 0 IIADHN Cc1ccc(C[C@H](CO)NCc2cc(Br)ccc2OCc2ccccn2)cc1 ZINC000466902842 1126093692 /nfs/dbraw/zinc/09/36/92/1126093692.db2.gz KPHKPKMQMLAFTN-JOCHJYFZSA-N 0 3 441.369 4.425 20 0 IIADHN O[C@H](C(F)F)[C@@H](Cc1ccccc1)NCc1ccc(OC(F)F)c(Br)c1 ZINC000507949040 1126095266 /nfs/dbraw/zinc/09/52/66/1126095266.db2.gz FSVHQLCVOCLIFI-ZBFHGGJFSA-N 0 3 436.243 4.377 20 0 IIADHN COc1ccc(-c2cc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)on2)cc1 ZINC001176586139 1126149447 /nfs/dbraw/zinc/14/94/47/1126149447.db2.gz AHBBCBUYYGMJOX-OAQYLSRUSA-N 0 3 431.330 4.196 20 0 IIADHN CCOc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC001183145743 1126153371 /nfs/dbraw/zinc/15/33/71/1126153371.db2.gz NMVUSAPEMCQIOL-LJQANCHMSA-N 0 3 428.754 4.290 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC001473839169 1126199658 /nfs/dbraw/zinc/19/96/58/1126199658.db2.gz UJEFUGXUMLOPGC-DEOSSOPVSA-N 0 3 426.944 4.406 20 0 IIADHN C[C@H](O)CNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474592 556335947 /nfs/dbraw/zinc/33/59/47/556335947.db2.gz XOQVYTZENRBBFW-LBPRGKRZSA-N 0 3 429.152 4.261 20 0 IIADHN Cc1nc2c(cc(-c3nc(N4CCN(CC(C)C)CC4)ncc3F)cc2F)n1C(C)C ZINC001164654640 719333416 /nfs/dbraw/zinc/33/34/16/719333416.db2.gz SQNUHQJOHWATGB-UHFFFAOYSA-N 0 3 428.531 4.439 20 0 IIADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164727111 720437574 /nfs/dbraw/zinc/43/75/74/720437574.db2.gz DBEZNSIQAUOFAP-ZEQRLZLVSA-N 0 3 438.579 4.345 20 0 IIADHN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843488 720740429 /nfs/dbraw/zinc/74/04/29/720740429.db2.gz LGGYCTXEEFKFRT-UHFFFAOYSA-N 0 3 432.302 4.062 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@H]2C ZINC001164860716 720970481 /nfs/dbraw/zinc/97/04/81/720970481.db2.gz PPWKNIFQSUKODQ-SFHVURJKSA-N 0 3 447.562 4.237 20 0 IIADHN Cc1nc(COC[C@H]2CCC[C@]23CN(c2ccc(CN4CCCC4)cn2)CCO3)cs1 ZINC001164784754 721444876 /nfs/dbraw/zinc/44/48/76/721444876.db2.gz QOEOBGIYJPDPCO-QPPBQGQZSA-N 0 3 442.629 4.035 20 0 IIADHN CSc1nc2ccccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908932 721709216 /nfs/dbraw/zinc/70/92/16/721709216.db2.gz ZORQIYDRRVYPGX-QFIPXVFZSA-N 0 3 441.551 4.484 20 0 IIADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccco2)n1 ZINC001164910576 721728560 /nfs/dbraw/zinc/72/85/60/721728560.db2.gz GMGBVCFJROGOOV-JOCHJYFZSA-N 0 3 425.483 4.178 20 0 IIADHN COc1ccc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c(C)nc2c1 ZINC001164914000 721728563 /nfs/dbraw/zinc/72/85/63/721728563.db2.gz ZZBBEHWCKVDXFF-HSZRJFAPSA-N 0 3 439.510 4.080 20 0 IIADHN FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983488 722102184 /nfs/dbraw/zinc/10/21/84/722102184.db2.gz QLYDYBQAFCQJEH-QAPCUYQASA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980740 722103368 /nfs/dbraw/zinc/10/33/68/722103368.db2.gz KEWKNWFMTJVSMT-DOTOQJQBSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1ccc2c(Cl)nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979590 722150341 /nfs/dbraw/zinc/15/03/41/722150341.db2.gz LKSHWVQVKWUBKZ-OXJNMPFZSA-N 0 3 444.366 4.059 20 0 IIADHN Cc1ccc(C[C@@H](CO)NCc2cc(Br)ccc2OCc2ccccn2)cc1 ZINC000466902843 1126093717 /nfs/dbraw/zinc/09/37/17/1126093717.db2.gz KPHKPKMQMLAFTN-QFIPXVFZSA-N 0 3 441.369 4.425 20 0 IIADHN OC[C@H](C[C@@H](O)c1ccccc1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078200 1126106984 /nfs/dbraw/zinc/10/69/84/1126106984.db2.gz CGHYFBVMPQHEEQ-PKOBYXMFSA-N 0 3 433.371 4.147 20 0 IIADHN CCOc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc(Cl)c1[O-] ZINC001206660397 1126159608 /nfs/dbraw/zinc/15/96/08/1126159608.db2.gz COWZVZUCHKHUCT-FQEVSTJZSA-N 0 3 440.765 4.216 20 0 IIADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021993 1126244372 /nfs/dbraw/zinc/24/43/72/1126244372.db2.gz FNCAQLUMOJWXCE-DFBJGRDBSA-N 0 3 446.563 4.060 20 0 IIADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730908 720434633 /nfs/dbraw/zinc/43/46/33/720434633.db2.gz JPGBEAHJFGRIRD-UXHICEINSA-N 0 3 436.943 4.313 20 0 IIADHN CSc1ccc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)nc1Cl ZINC001164838657 720739321 /nfs/dbraw/zinc/73/93/21/720739321.db2.gz VPMFNSYMEMJSHC-UHFFFAOYSA-N 0 3 427.952 4.251 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@H]3C2)cn1 ZINC001164762951 721097945 /nfs/dbraw/zinc/09/79/45/721097945.db2.gz FPFAQDDWHCMJQT-IAGOWNOFSA-N 0 3 436.610 4.112 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164771837 721223223 /nfs/dbraw/zinc/22/32/23/721223223.db2.gz RCQJZEBAQPYNLR-WOJBJXKFSA-N 0 3 436.991 4.106 20 0 IIADHN Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ncccc2CN2CCCC2)CCO3)cs1 ZINC001164784487 721445314 /nfs/dbraw/zinc/44/53/14/721445314.db2.gz QGSPQOKJJBDMPE-URXFXBBRSA-N 0 3 442.629 4.035 20 0 IIADHN CCOc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164907555 721559303 /nfs/dbraw/zinc/55/93/03/721559303.db2.gz OJLRZHJKLHZGLK-REWPJTCUSA-N 0 3 434.515 4.023 20 0 IIADHN FC1(F)CCN(c2nc(Cl)nc3c2CCCC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904733 721693520 /nfs/dbraw/zinc/69/35/20/721693520.db2.gz FYOBOSHUVNLDIA-OAQYLSRUSA-N 0 3 433.934 4.142 20 0 IIADHN FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980746 722103597 /nfs/dbraw/zinc/10/35/97/722103597.db2.gz KEWKNWFMTJVSMT-WBVHZDCISA-N 0 3 443.325 4.056 20 0 IIADHN Fc1cccc2cc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971237 722158783 /nfs/dbraw/zinc/15/87/83/722158783.db2.gz BDWXJBXRMUBYQZ-UYAOXDASSA-N 0 3 426.923 4.150 20 0 IIADHN CCOC(=O)c1ccc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164994004 722199489 /nfs/dbraw/zinc/19/94/89/722199489.db2.gz CIHANXKUIKUEAW-VWLOTQADSA-N 0 3 434.515 4.191 20 0 IIADHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164997954 722222046 /nfs/dbraw/zinc/22/20/46/722222046.db2.gz FCXVVWHYQUVKTD-DEOSSOPVSA-N 0 3 430.596 4.258 20 0 IIADHN O[C@@H](C(F)F)[C@H](Cc1ccccc1)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605198 1126095327 /nfs/dbraw/zinc/09/53/27/1126095327.db2.gz RWKJSVNVYZPHAF-VQTJNVASSA-N 0 3 439.428 4.277 20 0 IIADHN Cc1ccc(C[C@@H](CO)NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867467 1126151301 /nfs/dbraw/zinc/15/13/01/1126151301.db2.gz GZPBMSZHLBQNDQ-VXKWHMMOSA-N 0 3 442.600 4.148 20 0 IIADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277628 1126151712 /nfs/dbraw/zinc/15/17/12/1126151712.db2.gz KJRCFCIMLPNJQC-CLOONOSVSA-N 0 3 446.563 4.060 20 0 IIADHN COc1cc(Cl)c(CN[C@@](C)(CO)Cc2ccc(Br)cc2)cc1OC ZINC001308480526 1126167339 /nfs/dbraw/zinc/16/73/39/1126167339.db2.gz ZQOFDIWKWARSEW-LJQANCHMSA-N 0 3 428.754 4.203 20 0 IIADHN C[C@](CO)(Cc1ccccc1F)NCc1ccc(I)cc1Cl ZINC001560182327 1126208306 /nfs/dbraw/zinc/20/83/06/1126208306.db2.gz BVKMSIKCPLWJCZ-QGZVFWFLSA-N 0 3 433.692 4.167 20 0 IIADHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(I)cc1Cl ZINC001560183328 1126209123 /nfs/dbraw/zinc/20/91/23/1126209123.db2.gz MMXKIKMBOCLMMA-KRWDZBQOSA-N 0 3 433.692 4.167 20 0 IIADHN FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164392240 718826055 /nfs/dbraw/zinc/82/60/55/718826055.db2.gz ZNJJRLPXHDXFJB-RBUKOAKNSA-N 0 3 430.886 4.062 20 0 IIADHN CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629151 719082793 /nfs/dbraw/zinc/08/27/93/719082793.db2.gz WAHSPHWUTOKWGL-HZPDHXFCSA-N 0 3 435.355 4.061 20 0 IIADHN O=C(c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630520 719099469 /nfs/dbraw/zinc/09/94/69/719099469.db2.gz WTZCIHIBTHLVQG-OFNKIYASSA-N 0 3 439.003 4.462 20 0 IIADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164623331 719114187 /nfs/dbraw/zinc/11/41/87/719114187.db2.gz CMJJMTRBORUMOV-JKSUJKDBSA-N 0 3 449.958 4.471 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)c2c1CCNC2 ZINC001164680165 719636174 /nfs/dbraw/zinc/63/61/74/719636174.db2.gz QVCLWRHYWUREKF-UHFFFAOYSA-N 0 3 438.737 4.322 20 0 IIADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164728519 720441692 /nfs/dbraw/zinc/44/16/92/720441692.db2.gz FOCUXYODZFIUSB-FGZHOGPDSA-N 0 3 433.943 4.236 20 0 IIADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730211 720466495 /nfs/dbraw/zinc/46/64/95/720466495.db2.gz SVAFRMMDVUXVNU-IZZNHLLZSA-N 0 3 440.595 4.382 20 0 IIADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763957 721237163 /nfs/dbraw/zinc/23/71/63/721237163.db2.gz OMOSBOPJKUDCMT-JKSUJKDBSA-N 0 3 431.918 4.167 20 0 IIADHN Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ncccc2CN2CCCC2)CCO3)cs1 ZINC001164784494 721445338 /nfs/dbraw/zinc/44/53/38/721445338.db2.gz QGSPQOKJJBDMPE-ZJSXRUAMSA-N 0 3 442.629 4.035 20 0 IIADHN Cc1nc2cc(F)ccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906713 721695752 /nfs/dbraw/zinc/69/57/52/721695752.db2.gz PFNYSKSARPXEFR-JOCHJYFZSA-N 0 3 427.474 4.210 20 0 IIADHN FC1(F)CCN(c2ccc3c(Cl)ccnc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904307 721711508 /nfs/dbraw/zinc/71/15/08/721711508.db2.gz BNVCZSMFDKESRV-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN CCOC(=O)c1c(C)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C ZINC001164904983 721711903 /nfs/dbraw/zinc/71/19/03/721711903.db2.gz GHELFWFRPJNMOK-QHCPKHFHSA-N 0 3 444.526 4.008 20 0 IIADHN FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980744 722103328 /nfs/dbraw/zinc/10/33/28/722103328.db2.gz KEWKNWFMTJVSMT-RDJZCZTQSA-N 0 3 443.325 4.056 20 0 IIADHN COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973060 722116343 /nfs/dbraw/zinc/11/63/43/722116343.db2.gz GGVKOOJKJDEAIW-FDDCHVKYSA-N 0 3 438.959 4.019 20 0 IIADHN COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973062 722116708 /nfs/dbraw/zinc/11/67/08/722116708.db2.gz GGVKOOJKJDEAIW-JPYJTQIMSA-N 0 3 438.959 4.019 20 0 IIADHN Clc1cccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164973835 722117832 /nfs/dbraw/zinc/11/78/32/722117832.db2.gz HJSNRTFVMMDWLQ-QFBILLFUSA-N 0 3 444.366 4.059 20 0 IIADHN Clc1cnc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164971861 722121647 /nfs/dbraw/zinc/12/16/47/722121647.db2.gz CUWIOTYJZTYVGS-ZBFHGGJFSA-N 0 3 427.763 4.164 20 0 IIADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(-c4cccnc4)nc4c2CCC4)C3)c1 ZINC001164997450 722210440 /nfs/dbraw/zinc/21/04/40/722210440.db2.gz QGDGLMQQQVYXMW-SANMLTNESA-N 0 3 429.543 4.411 20 0 IIADHN OC[C@H](Cc1ccccc1)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000438358915 1126093306 /nfs/dbraw/zinc/09/33/06/1126093306.db2.gz OUQHHULMHYJZJB-NRFANRHFSA-N 0 3 427.342 4.116 20 0 IIADHN Cc1cccc(C[C@@H](CO)NCc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000466892453 1126093471 /nfs/dbraw/zinc/09/34/71/1126093471.db2.gz ZQAFGNSHNXNLJA-QFIPXVFZSA-N 0 3 441.369 4.425 20 0 IIADHN COc1ccccc1C[C@@](C)(CO)NCc1cc(Cl)ccc1OCc1cccnc1 ZINC001175707417 1126149112 /nfs/dbraw/zinc/14/91/12/1126149112.db2.gz LCOQMPZQYYUVOW-DEOSSOPVSA-N 0 3 426.944 4.406 20 0 IIADHN COc1cc(Cl)c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001179146759 1126151504 /nfs/dbraw/zinc/15/15/04/1126151504.db2.gz CTUFPFDFQAHPHD-FQEVSTJZSA-N 0 3 440.765 4.129 20 0 IIADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277630 1126151738 /nfs/dbraw/zinc/15/17/38/1126151738.db2.gz KJRCFCIMLPNJQC-KBMIEXCESA-N 0 3 446.563 4.060 20 0 IIADHN CCO[C@@H]1C[C@@](CO)(NCc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025623 1126156947 /nfs/dbraw/zinc/15/69/47/1126156947.db2.gz XSCWQMKUYWVEET-APWZRJJASA-N 0 3 425.392 4.228 20 0 IIADHN C[C@](CO)(Cc1ccc(F)cc1)NCc1cc(Br)ccc1Br ZINC001308479795 1126166767 /nfs/dbraw/zinc/16/67/67/1126166767.db2.gz NBQQKGTXKDFOLL-QGZVFWFLSA-N 0 3 431.143 4.434 20 0 IIADHN OC[C@@]1(NCc2ccc(F)cc2Br)CCc2cc(Br)ccc2C1 ZINC001560532420 1126211743 /nfs/dbraw/zinc/21/17/43/1126211743.db2.gz JYZPXHLBDONNRL-GOSISDBHSA-N 0 3 443.154 4.360 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC001164626537 719076134 /nfs/dbraw/zinc/07/61/34/719076134.db2.gz OGIGJODYUYCGGE-QFBILLFUSA-N 0 3 435.902 4.167 20 0 IIADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164623557 719076153 /nfs/dbraw/zinc/07/61/53/719076153.db2.gz JSEOWYLFKGMLLG-WMZOPIPTSA-N 0 3 435.902 4.167 20 0 IIADHN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838681 720737062 /nfs/dbraw/zinc/73/70/62/720737062.db2.gz WUIJQGYTEOUPIJ-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN Cc1ccc(-c2csc3ncnc(N4C[C@H]5CCN(Cc6cnn(C)c6)C[C@H]5C4)c23)cc1 ZINC001164767294 721114541 /nfs/dbraw/zinc/11/45/41/721114541.db2.gz MINJFTBTJONJJG-RTWAWAEBSA-N 0 3 444.608 4.359 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772369 721204187 /nfs/dbraw/zinc/20/41/87/721204187.db2.gz TVVTVAGKOSTONY-UYAOXDASSA-N 0 3 430.581 4.050 20 0 IIADHN Cc1nc(COC[C@H]2CCC[C@]23CN(c2ccc(CN(C)C4CC4)cn2)CCO3)cs1 ZINC001164785067 721444889 /nfs/dbraw/zinc/44/48/89/721444889.db2.gz RLGMVRKJSLQYTB-YKSBVNFPSA-N 0 3 442.629 4.033 20 0 IIADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ccnc(CSc5ccccc5)n4)CCN3C2)c1 ZINC001164908662 721565772 /nfs/dbraw/zinc/56/57/72/721565772.db2.gz RLKUTPIEGXJJLY-FPOVZHCZSA-N 0 3 436.556 4.250 20 0 IIADHN c1cncc(-c2ccc3nc(C4CCN(c5ncccc5CN5CCCC5)CC4)nn3c2)c1 ZINC001164957068 722050192 /nfs/dbraw/zinc/05/01/92/722050192.db2.gz HTCFWAAEQQXHIX-UHFFFAOYSA-N 0 3 439.567 4.166 20 0 IIADHN FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985258 722101583 /nfs/dbraw/zinc/10/15/83/722101583.db2.gz VUCLJFFBPZJSFZ-QAPCUYQASA-N 0 3 443.325 4.056 20 0 IIADHN OC[C@H](Cc1ccc(F)cc1)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000480455453 1126094593 /nfs/dbraw/zinc/09/45/93/1126094593.db2.gz UDZRYKPGVKQNAA-NRFANRHFSA-N 0 3 445.332 4.255 20 0 IIADHN O[C@@H](C(F)F)[C@@H](Cc1ccccc1)NCc1ccc(OC(F)F)c(Br)c1 ZINC000507949034 1126095210 /nfs/dbraw/zinc/09/52/10/1126095210.db2.gz FSVHQLCVOCLIFI-GDBMZVCRSA-N 0 3 436.243 4.377 20 0 IIADHN OC[C@]1(NCc2cccc(F)c2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001171949806 1126148806 /nfs/dbraw/zinc/14/88/06/1126148806.db2.gz ZULGIKRGBSWZSW-IBGZPJMESA-N 0 3 430.264 4.199 20 0 IIADHN Cc1ccc(C[C@H](CO)NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867465 1126151322 /nfs/dbraw/zinc/15/13/22/1126151322.db2.gz GZPBMSZHLBQNDQ-FCHUYYIVSA-N 0 3 442.600 4.148 20 0 IIADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@](C)(CO)Cc1ccccc1F ZINC001308480149 1126167077 /nfs/dbraw/zinc/16/70/77/1126167077.db2.gz TVKHKHLGQAKVPY-OAQYLSRUSA-N 0 3 432.337 4.166 20 0 IIADHN COc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998737 1126201195 /nfs/dbraw/zinc/20/11/95/1126201195.db2.gz KJKSUUIVWUDGDV-NFBKMPQASA-N 0 3 446.469 4.293 20 0 IIADHN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838887 720737135 /nfs/dbraw/zinc/73/71/35/720737135.db2.gz ZBVJVVLTRLHZHM-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ccc(CN(C)C4CC4)cn2)CCO3)cs1 ZINC001164785049 721444997 /nfs/dbraw/zinc/44/49/97/721444997.db2.gz RLGMVRKJSLQYTB-GBXCKJPGSA-N 0 3 442.629 4.033 20 0 IIADHN Cc1sc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1C ZINC001164908345 721586848 /nfs/dbraw/zinc/58/68/48/721586848.db2.gz YKGGAAITKFXFAX-OAQYLSRUSA-N 0 3 429.540 4.441 20 0 IIADHN FC1(F)CCN(c2nccc3cc(Cl)ncc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904770 721696550 /nfs/dbraw/zinc/69/65/50/721696550.db2.gz GIWGCOSDRRMMRZ-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN CSc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913841 721734790 /nfs/dbraw/zinc/73/47/90/721734790.db2.gz YVWQRXYGUSMBBF-JOCHJYFZSA-N 0 3 441.551 4.484 20 0 IIADHN Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976372 722116677 /nfs/dbraw/zinc/11/66/77/722116677.db2.gz LMCAVLOAYCXJFY-OXJNMPFZSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1ccc(F)c2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164975319 722156953 /nfs/dbraw/zinc/15/69/53/722156953.db2.gz SHSCPZJOKWWIDQ-JXFKEZNVSA-N 0 3 444.913 4.289 20 0 IIADHN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000604766751 1126100398 /nfs/dbraw/zinc/10/03/98/1126100398.db2.gz PHRYBHORYPPKGF-QGZVFWFLSA-N 0 3 425.330 4.014 20 0 IIADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277629 1126151621 /nfs/dbraw/zinc/15/16/21/1126151621.db2.gz KJRCFCIMLPNJQC-DFBJGRDBSA-N 0 3 446.563 4.060 20 0 IIADHN COc1cc(Cl)c(CN[C@](C)(CO)Cc2ccc(Br)cc2)cc1OC ZINC001308480525 1126167094 /nfs/dbraw/zinc/16/70/94/1126167094.db2.gz ZQOFDIWKWARSEW-IBGZPJMESA-N 0 3 428.754 4.203 20 0 IIADHN COc1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998125 1126201223 /nfs/dbraw/zinc/20/12/23/1126201223.db2.gz BHDKYNNWDOYWTF-YJBOKZPZSA-N 0 3 437.380 4.260 20 0 IIADHN COc1ccccc1C[C@@](C)(CO)NCc1cn(-c2ccc(Br)cc2)nc1C ZINC001560548585 1126212840 /nfs/dbraw/zinc/21/28/40/1126212840.db2.gz TWRDFUFUMIEVHB-QFIPXVFZSA-N 0 3 444.373 4.035 20 0 IIADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164624942 719107813 /nfs/dbraw/zinc/10/78/13/719107813.db2.gz FPXQGWUYEVLRJD-MSOLQXFVSA-N 0 3 445.901 4.431 20 0 IIADHN COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2C)cc1 ZINC001164725757 720427931 /nfs/dbraw/zinc/42/79/31/720427931.db2.gz AXMTXOXXAFRHLU-ZEQRLZLVSA-N 0 3 428.536 4.092 20 0 IIADHN COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2C)cc1 ZINC001164725743 720428064 /nfs/dbraw/zinc/42/80/64/720428064.db2.gz AXMTXOXXAFRHLU-BJKOFHAPSA-N 0 3 428.536 4.092 20 0 IIADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164725730 720439482 /nfs/dbraw/zinc/43/94/82/720439482.db2.gz AWCHEQHXZBRGCF-SFTDATJTSA-N 0 3 448.640 4.152 20 0 IIADHN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836903 720738282 /nfs/dbraw/zinc/73/82/82/720738282.db2.gz IHIXIWZIGXAWFZ-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946470 /nfs/dbraw/zinc/94/64/70/720946470.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 0 3 444.627 4.258 20 0 IIADHN COC(=O)c1ccc(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc2C)cc1 ZINC001164861904 720996219 /nfs/dbraw/zinc/99/62/19/720996219.db2.gz RAZCURRVKKKIJM-LJQANCHMSA-N 0 3 447.583 4.462 20 0 IIADHN Cc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164903762 721697281 /nfs/dbraw/zinc/69/72/81/721697281.db2.gz CCLCGOFRKHVZBI-FQEVSTJZSA-N 0 3 432.906 4.052 20 0 IIADHN COc1cc(C)c2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164912693 721739370 /nfs/dbraw/zinc/73/93/70/721739370.db2.gz PMPRQZZITYCKJX-HSZRJFAPSA-N 0 3 439.510 4.080 20 0 IIADHN Clc1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980725 722099654 /nfs/dbraw/zinc/09/96/54/722099654.db2.gz KAPJTMXTYGNODG-OXJNMPFZSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1ccc2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985264 722107994 /nfs/dbraw/zinc/10/79/94/722107994.db2.gz VWIYKHXREHYYGY-VGOFRKELSA-N 0 3 426.923 4.150 20 0 IIADHN Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970911 722112495 /nfs/dbraw/zinc/11/24/95/722112495.db2.gz AMFFNPNXLJBSEE-VQIMIIECSA-N 0 3 444.366 4.059 20 0 IIADHN COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973063 722116588 /nfs/dbraw/zinc/11/65/88/722116588.db2.gz GGVKOOJKJDEAIW-MBSDFSHPSA-N 0 3 438.959 4.019 20 0 IIADHN Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976089 722145273 /nfs/dbraw/zinc/14/52/73/722145273.db2.gz HAXNIRSPULDYLY-VXKWHMMOSA-N 0 3 449.986 4.228 20 0 IIADHN COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974682 722159140 /nfs/dbraw/zinc/15/91/40/722159140.db2.gz OWUMDDJHXCVMKJ-FDDCHVKYSA-N 0 3 438.959 4.019 20 0 IIADHN OC[C@]1(NCc2cc(F)ccc2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001196103341 1126153585 /nfs/dbraw/zinc/15/35/85/1126153585.db2.gz DGKRNLXRSZQGJW-IBGZPJMESA-N 0 3 430.264 4.199 20 0 IIADHN COc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789700 1126242839 /nfs/dbraw/zinc/24/28/39/1126242839.db2.gz GJWFJXDWBPNPPF-NZQKXSOJSA-N 0 3 446.469 4.293 20 0 IIADHN O[C@@H](COc1ccc(Cl)cc1)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000043073441 563118195 /nfs/dbraw/zinc/11/81/95/563118195.db2.gz GZACZULYTMPTEI-GOSISDBHSA-N 0 3 429.866 4.082 20 0 IIADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC2)CC1 ZINC001164617613 719035890 /nfs/dbraw/zinc/03/58/90/719035890.db2.gz NLNJNSCLGUIWPV-UHFFFAOYSA-N 0 3 441.950 4.013 20 0 IIADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164735724 720436963 /nfs/dbraw/zinc/43/69/63/720436963.db2.gz YCEWAZLJROIKRZ-QZTJIDSGSA-N 0 3 425.895 4.310 20 0 IIADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164727091 720437419 /nfs/dbraw/zinc/43/74/19/720437419.db2.gz DBEZNSIQAUOFAP-BJKOFHAPSA-N 0 3 438.579 4.345 20 0 IIADHN COC(=O)c1ccc(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc2C)cc1 ZINC001164861897 720995520 /nfs/dbraw/zinc/99/55/20/720995520.db2.gz RAZCURRVKKKIJM-IBGZPJMESA-N 0 3 447.583 4.462 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@@H]3C2)cn1 ZINC001164762958 721098250 /nfs/dbraw/zinc/09/82/50/721098250.db2.gz FPFAQDDWHCMJQT-IRXDYDNUSA-N 0 3 436.610 4.112 20 0 IIADHN Cc1ccc(-c2csc3ncnc(N4C[C@H]5CN(Cc6cnn(C)c6)CC[C@@H]5C4)c23)cc1 ZINC001164767293 721114290 /nfs/dbraw/zinc/11/42/90/721114290.db2.gz MINJFTBTJONJJG-NHCUHLMSSA-N 0 3 444.608 4.359 20 0 IIADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CCN3C2)c1 ZINC001164910797 721559579 /nfs/dbraw/zinc/55/95/79/721559579.db2.gz XLDZYQMUSARKGQ-HKUYNNGSSA-N 0 3 442.897 4.417 20 0 IIADHN Cc1nc2cc(F)ccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906714 721695545 /nfs/dbraw/zinc/69/55/45/721695545.db2.gz PFNYSKSARPXEFR-QFIPXVFZSA-N 0 3 427.474 4.210 20 0 IIADHN FC1(F)CCN(c2csc3ncnc(Cl)c23)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907398 721698284 /nfs/dbraw/zinc/69/82/84/721698284.db2.gz SFZINZHKIXKKNV-IBGZPJMESA-N 0 3 435.931 4.477 20 0 IIADHN CCc1cc2c(ncnc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)s1 ZINC001164905556 721702945 /nfs/dbraw/zinc/70/29/45/721702945.db2.gz JVOIKJUSIOCTJZ-NRFANRHFSA-N 0 3 429.540 4.386 20 0 IIADHN CCc1nc2sccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912855 721731275 /nfs/dbraw/zinc/73/12/75/721731275.db2.gz QOZBHMPKTRSICI-OAQYLSRUSA-N 0 3 429.540 4.386 20 0 IIADHN COc1cc2cnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)cc2cc1OC ZINC001164940614 721931913 /nfs/dbraw/zinc/93/19/13/721931913.db2.gz URPSVQWRLJEVQU-UHFFFAOYSA-N 0 3 447.579 4.432 20 0 IIADHN Clc1cc(-c2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2)ccn1 ZINC001164960494 722053971 /nfs/dbraw/zinc/05/39/71/722053971.db2.gz PUKNBPBSFZAXBY-UHFFFAOYSA-N 0 3 449.986 4.311 20 0 IIADHN c1ccc(COc2cccnc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC001164960689 722059183 /nfs/dbraw/zinc/05/91/83/722059183.db2.gz HRPRDQKYNNDPJJ-UHFFFAOYSA-N 0 3 444.579 4.175 20 0 IIADHN Clc1cnc2cc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc2n1 ZINC001164978192 722112105 /nfs/dbraw/zinc/11/21/05/722112105.db2.gz NTAZBNJOOBGGIR-IERDGZPVSA-N 0 3 444.366 4.059 20 0 IIADHN Clc1cnc2cc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc2n1 ZINC001164978196 722112189 /nfs/dbraw/zinc/11/21/89/722112189.db2.gz NTAZBNJOOBGGIR-KKSFZXQISA-N 0 3 444.366 4.059 20 0 IIADHN COc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164973829 722118333 /nfs/dbraw/zinc/11/83/33/722118333.db2.gz HHQOLYZDNMOVCP-WZONZLPQSA-N 0 3 438.959 4.019 20 0 IIADHN Cc1csc2c1nc(Cl)cc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980272 722131386 /nfs/dbraw/zinc/13/13/86/722131386.db2.gz MJRWSTPUSQNSHI-HKUYNNGSSA-N 0 3 428.989 4.380 20 0 IIADHN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000523842094 1126095937 /nfs/dbraw/zinc/09/59/37/1126095937.db2.gz FRSMSUQTOKUSCJ-QGZVFWFLSA-N 0 3 425.330 4.014 20 0 IIADHN Cc1ccc(C[C@H](CO)NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867466 1126151355 /nfs/dbraw/zinc/15/13/55/1126151355.db2.gz GZPBMSZHLBQNDQ-FGZHOGPDSA-N 0 3 442.600 4.148 20 0 IIADHN CCOc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC001183145742 1126153308 /nfs/dbraw/zinc/15/33/08/1126153308.db2.gz NMVUSAPEMCQIOL-IBGZPJMESA-N 0 3 428.754 4.290 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2ccc(Br)cc2Cl)cc1OC ZINC001198228330 1126155528 /nfs/dbraw/zinc/15/55/28/1126155528.db2.gz DWVGZTNKPAEXHT-IBGZPJMESA-N 0 3 428.754 4.203 20 0 IIADHN CC(C)(C)OC(=O)C1CCN(c2ccc(CN[C@](C)(CO)Cc3ccccc3F)o2)CC1 ZINC001308886812 1126168694 /nfs/dbraw/zinc/16/86/94/1126168694.db2.gz RKVLOQDGHDWVPT-VWLOTQADSA-N 0 3 446.563 4.060 20 0 IIADHN COc1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998740 1126201203 /nfs/dbraw/zinc/20/12/03/1126201203.db2.gz KJKSUUIVWUDGDV-REWPJTCUSA-N 0 3 446.469 4.293 20 0 IIADHN COc1ccc(-n2c(CN[C@@](C)(CO)Cc3ccccc3OC)nc3ccccc32)cc1 ZINC001620537004 1126240896 /nfs/dbraw/zinc/24/08/96/1126240896.db2.gz KHMCDOYQDUSURE-AREMUKBSSA-N 0 3 431.536 4.126 20 0 IIADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021994 1126244378 /nfs/dbraw/zinc/24/43/78/1126244378.db2.gz FNCAQLUMOJWXCE-KBMIEXCESA-N 0 3 446.563 4.060 20 0 IIADHN COc1ccc(C[C@](C)(CO)NCc2c(Br)c3ccccc3n2C)cc1OC ZINC001621057889 1126245811 /nfs/dbraw/zinc/24/58/11/1126245811.db2.gz WTOPJQMHDYKOFI-JOCHJYFZSA-N 0 3 447.373 4.041 20 0 IIADHN FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164392241 718826172 /nfs/dbraw/zinc/82/61/72/718826172.db2.gz ZNJJRLPXHDXFJB-RTBURBONSA-N 0 3 430.886 4.062 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)c2c1CCNC2 ZINC001164679735 719646702 /nfs/dbraw/zinc/64/67/02/719646702.db2.gz KYLNRRCGJOMGPK-UHFFFAOYSA-N 0 3 437.844 4.034 20 0 IIADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164724710 720375291 /nfs/dbraw/zinc/37/52/91/720375291.db2.gz LCQGAAYNKUIZAR-BJKOFHAPSA-N 0 3 434.547 4.454 20 0 IIADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732517 720435845 /nfs/dbraw/zinc/43/58/45/720435845.db2.gz NYWCRVKFRGHINX-CTUHWIOQSA-N 0 3 428.584 4.257 20 0 IIADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164725728 720440753 /nfs/dbraw/zinc/44/07/53/720440753.db2.gz AWCHEQHXZBRGCF-RTWAWAEBSA-N 0 3 448.640 4.152 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945672 /nfs/dbraw/zinc/94/56/72/720945672.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 0 3 444.627 4.258 20 0 IIADHN c1ccc(-c2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164865381 721083525 /nfs/dbraw/zinc/08/35/25/721083525.db2.gz KQNGVEJGKCDRJY-XZOQPEGZSA-N 0 3 437.547 4.172 20 0 IIADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CCN3C2)c1 ZINC001164903838 721531928 /nfs/dbraw/zinc/53/19/28/721531928.db2.gz DGTIDJIBRGKHEY-UYAOXDASSA-N 0 3 429.499 4.106 20 0 IIADHN COc1cc2ccnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164939323 721927499 /nfs/dbraw/zinc/92/74/99/721927499.db2.gz ILXFEJYYYRWLTI-UHFFFAOYSA-N 0 3 447.579 4.432 20 0 IIADHN Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984738 722099497 /nfs/dbraw/zinc/09/94/97/722099497.db2.gz UHTQXVFDDFEHOJ-DYESRHJHSA-N 0 3 426.923 4.150 20 0 IIADHN Clc1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980723 722099808 /nfs/dbraw/zinc/09/98/08/722099808.db2.gz KAPJTMXTYGNODG-JXFKEZNVSA-N 0 3 444.366 4.059 20 0 IIADHN Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980274 722132220 /nfs/dbraw/zinc/13/22/20/722132220.db2.gz MJRWSTPUSQNSHI-MJGOQNOKSA-N 0 3 428.989 4.380 20 0 IIADHN c1ccc(CSc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982585 722146689 /nfs/dbraw/zinc/14/66/89/722146689.db2.gz RRJCHVONZCLQQR-ILBGXUMGSA-N 0 3 446.620 4.496 20 0 IIADHN Fc1cccc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164977900 722155847 /nfs/dbraw/zinc/15/58/47/722155847.db2.gz ZDWREODKQGXMOG-UWJYYQICSA-N 0 3 426.923 4.150 20 0 IIADHN Cc1nc(-c2ccccc2)oc1CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001196105360 1126153523 /nfs/dbraw/zinc/15/35/23/1126153523.db2.gz VFXXIBHYLUAYQT-QFIPXVFZSA-N 0 3 427.342 4.422 20 0 IIADHN OC[C@]1(NCc2cc(F)ccc2Br)CCc2cc(Br)ccc2C1 ZINC001473640983 1126198047 /nfs/dbraw/zinc/19/80/47/1126198047.db2.gz CBHWIALNZNGIEU-SFHVURJKSA-N 0 3 443.154 4.360 20 0 IIADHN OC[C@@]1(NCc2cc(F)ccc2Br)CCc2cc(Br)ccc2C1 ZINC001473640982 1126198167 /nfs/dbraw/zinc/19/81/67/1126198167.db2.gz CBHWIALNZNGIEU-GOSISDBHSA-N 0 3 443.154 4.360 20 0 IIADHN OC[C@@]1(NCc2ccccc2Br)CCc2cc(Br)ccc2C1 ZINC001474208502 1126202522 /nfs/dbraw/zinc/20/25/22/1126202522.db2.gz IKDFPSGGOUSVOG-GOSISDBHSA-N 0 3 425.164 4.221 20 0 IIADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C[C@@H]4[C@@H](F)C3)c21 ZINC001164431361 718963612 /nfs/dbraw/zinc/96/36/12/718963612.db2.gz OJYGFZRBDIIHFA-LNLFQRSKSA-N 0 3 441.934 4.191 20 0 IIADHN CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629150 719082475 /nfs/dbraw/zinc/08/24/75/719082475.db2.gz WAHSPHWUTOKWGL-HOTGVXAUSA-N 0 3 435.355 4.061 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc3c2CCCCC3)c2c1CCNC2 ZINC001164680701 719654101 /nfs/dbraw/zinc/65/41/01/719654101.db2.gz HYXIDBVQBACRPM-UHFFFAOYSA-N 0 3 437.966 4.284 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)c2c1CCNC2 ZINC001164681377 719654557 /nfs/dbraw/zinc/65/45/57/719654557.db2.gz NDGDKGRDRKIULD-UHFFFAOYSA-N 0 3 435.906 4.275 20 0 IIADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164725723 720439811 /nfs/dbraw/zinc/43/98/11/720439811.db2.gz AWCHEQHXZBRGCF-LEWJYISDSA-N 0 3 448.640 4.152 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)s1 ZINC001164772335 721212729 /nfs/dbraw/zinc/21/27/29/721212729.db2.gz SHRVXHCNVQEOKW-UXHICEINSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)o2)cc1 ZINC001164906571 721555098 /nfs/dbraw/zinc/55/50/98/721555098.db2.gz KCKUPUHNTLCLOM-TZIWHRDSSA-N 0 3 445.498 4.074 20 0 IIADHN FC1(F)CCN(c2ncnc3ccc(Cl)cc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906213 721692175 /nfs/dbraw/zinc/69/21/75/721692175.db2.gz MERBAUCQPNTOQS-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2ncnc3[nH]c4ccccc4c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908332 721709159 /nfs/dbraw/zinc/70/91/59/721709159.db2.gz WZKPXTFBHSXETL-QHCPKHFHSA-N 0 3 434.494 4.244 20 0 IIADHN FC1(F)CCN(c2cc3c(Cl)ccnc3cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906482 721712893 /nfs/dbraw/zinc/71/28/93/721712893.db2.gz MITZLUVUYSHISK-NRFANRHFSA-N 0 3 429.902 4.416 20 0 IIADHN Clc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2sccc2n1 ZINC001164962460 722054795 /nfs/dbraw/zinc/05/47/95/722054795.db2.gz DUDWJCGJXVLZGR-UHFFFAOYSA-N 0 3 428.989 4.464 20 0 IIADHN FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982134 722103084 /nfs/dbraw/zinc/10/30/84/722103084.db2.gz MZAZAWIMCPJARV-CRAIPNDOSA-N 0 3 443.325 4.056 20 0 IIADHN Clc1cc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164986253 722107532 /nfs/dbraw/zinc/10/75/32/722107532.db2.gz YNYVDLQSVWAQQO-GOEBONIOSA-N 0 3 427.763 4.164 20 0 IIADHN Fc1ccc2cc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983426 722107789 /nfs/dbraw/zinc/10/77/89/722107789.db2.gz QBJIXJHFQMXCDE-GHTZIAJQSA-N 0 3 426.923 4.150 20 0 IIADHN Fc1ccc2cc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983430 722108021 /nfs/dbraw/zinc/10/80/21/722108021.db2.gz QBJIXJHFQMXCDE-WIYYLYMNSA-N 0 3 426.923 4.150 20 0 IIADHN Cc1cc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1C ZINC001164982469 722129018 /nfs/dbraw/zinc/12/90/18/722129018.db2.gz WPOYLCBGSGVXNY-SIKLNZKXSA-N 0 3 437.975 4.022 20 0 IIADHN CN(Cc1ccc(N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1)C1CC1 ZINC001164975452 722161058 /nfs/dbraw/zinc/16/10/58/722161058.db2.gz SXGFYRXTJCWYFR-UHFFFAOYSA-N 0 3 430.596 4.361 20 0 IIADHN COC(=O)c1cc2c(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)[nH]c(Cl)cc-2n1 ZINC001164996665 722205445 /nfs/dbraw/zinc/20/54/45/722205445.db2.gz UZDHBMGYILOCGC-QHCPKHFHSA-N 0 3 442.922 4.387 20 0 IIADHN OC[C@@H](Cc1ccc(F)cc1)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000480455454 1126094758 /nfs/dbraw/zinc/09/47/58/1126094758.db2.gz UDZRYKPGVKQNAA-OAQYLSRUSA-N 0 3 445.332 4.255 20 0 IIADHN O[C@@H](C(F)F)[C@H](Cc1ccccc1)NCc1ccc(OC(F)F)c(Br)c1 ZINC000507949036 1126095289 /nfs/dbraw/zinc/09/52/89/1126095289.db2.gz FSVHQLCVOCLIFI-GOEBONIOSA-N 0 3 436.243 4.377 20 0 IIADHN OC[C@H](Cc1c[nH]c2ccccc12)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000523842093 1126095927 /nfs/dbraw/zinc/09/59/27/1126095927.db2.gz FRSMSUQTOKUSCJ-KRWDZBQOSA-N 0 3 425.330 4.014 20 0 IIADHN OC[C@@H](C[C@@H](O)c1ccccc1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078198 1126107009 /nfs/dbraw/zinc/10/70/09/1126107009.db2.gz CGHYFBVMPQHEEQ-IEBWSBKVSA-N 0 3 433.371 4.147 20 0 IIADHN Cc1nn(-c2ccccc2Br)cc1CN[C@@](C)(CO)Cc1ccccc1F ZINC001203283040 1126158189 /nfs/dbraw/zinc/15/81/89/1126158189.db2.gz OEPLKGPHIBDEIT-OAQYLSRUSA-N 0 3 432.337 4.166 20 0 IIADHN COc1c(Br)cc(Br)cc1CN[C@@H](CO)Cc1cccc(C)c1 ZINC001560441170 1126210794 /nfs/dbraw/zinc/21/07/94/1126210794.db2.gz SHTDQVREGJMNHV-MRXNPFEDSA-N 0 3 443.179 4.222 20 0 IIADHN O[C@@H](COc1ccccc1)CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043018327 563117043 /nfs/dbraw/zinc/11/70/43/563117043.db2.gz CZFBPJXRVVEFJL-MRXNPFEDSA-N 0 3 429.866 4.082 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)c2c1CCNC2 ZINC001164681831 719614380 /nfs/dbraw/zinc/61/43/80/719614380.db2.gz AYOCYSUMYPRNRN-UHFFFAOYSA-N 0 3 446.933 4.077 20 0 IIADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164724711 720375917 /nfs/dbraw/zinc/37/59/17/720375917.db2.gz LCQGAAYNKUIZAR-DNQXCXABSA-N 0 3 434.547 4.454 20 0 IIADHN c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c3)n2)c1 ZINC001164735675 720462151 /nfs/dbraw/zinc/46/21/51/720462151.db2.gz XLIZRUDWJISTLG-MOPGFXCFSA-N 0 3 430.537 4.108 20 0 IIADHN c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164722956 720475150 /nfs/dbraw/zinc/47/51/50/720475150.db2.gz BMXXUNKQVPTUSI-IZZNHLLZSA-N 0 3 437.547 4.457 20 0 IIADHN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838000 720736950 /nfs/dbraw/zinc/73/69/50/720736950.db2.gz POWHNTBIUNTPQR-UHFFFAOYSA-N 0 3 438.935 4.139 20 0 IIADHN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837470 720737290 /nfs/dbraw/zinc/73/72/90/720737290.db2.gz KRZGKEQMECOHDP-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CCN3C2)c1 ZINC001164903831 721531733 /nfs/dbraw/zinc/53/17/33/721531733.db2.gz DGTIDJIBRGKHEY-AZUAARDMSA-N 0 3 429.499 4.106 20 0 IIADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164812254 721581849 /nfs/dbraw/zinc/58/18/49/721581849.db2.gz ZRJZQOFNMVGIDY-MZKUHISZSA-N 0 3 443.595 4.098 20 0 IIADHN FC1(F)CCN(c2nccc3c(Cl)ccnc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906694 721587529 /nfs/dbraw/zinc/58/75/29/721587529.db2.gz OPHXBAXULVTWIY-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN CCc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)[nH]1 ZINC001164906436 721720260 /nfs/dbraw/zinc/72/02/60/721720260.db2.gz LWWVBINOBBCQHI-NRFANRHFSA-N 0 3 446.933 4.306 20 0 IIADHN FC1(F)CCN(c2nc(C3CCC3)nc3[nH]ccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913548 721738560 /nfs/dbraw/zinc/73/85/60/721738560.db2.gz WXMXRJAAXOZDEJ-QHCPKHFHSA-N 0 3 438.526 4.358 20 0 IIADHN COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984192 722130474 /nfs/dbraw/zinc/13/04/74/722130474.db2.gz WIFYVBWNFUHEJU-GCJKJVERSA-N 0 3 438.959 4.019 20 0 IIADHN CCCCOc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982256 722135851 /nfs/dbraw/zinc/13/58/51/722135851.db2.gz RLMBEUTZWUNEJP-KNQAVFIVSA-N 0 3 430.980 4.036 20 0 IIADHN COCO[C@H](C)c1cc(F)c(CN[C@@H](CO)Cc2ccccc2C)cc1Br ZINC001202024722 1126156895 /nfs/dbraw/zinc/15/68/95/1126156895.db2.gz FWQCNMZGXKAUOR-CRAIPNDOSA-N 0 3 440.353 4.271 20 0 IIADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc(Oc2ccccc2)nn1 ZINC001560183557 1126209256 /nfs/dbraw/zinc/20/92/56/1126209256.db2.gz SBPGBIWLUQFYHE-OAQYLSRUSA-N 0 3 428.330 4.115 20 0 IIADHN COc1ccc(-n2c(CN[C@](C)(CO)Cc3ccccc3OC)nc3ccccc32)cc1 ZINC001620537005 1126240842 /nfs/dbraw/zinc/24/08/42/1126240842.db2.gz KHMCDOYQDUSURE-SANMLTNESA-N 0 3 431.536 4.126 20 0 IIADHN COc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789701 1126242799 /nfs/dbraw/zinc/24/27/99/1126242799.db2.gz GJWFJXDWBPNPPF-OFNKIYASSA-N 0 3 446.469 4.293 20 0 IIADHN O=C(Nc1ccc(F)cc1)[C@@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000022770766 527202308 /nfs/dbraw/zinc/20/23/08/527202308.db2.gz JVZNLSSWIORLMU-QHCPKHFHSA-N 0 3 425.548 4.130 20 0 IIADHN OCCCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000040743694 527542295 /nfs/dbraw/zinc/54/22/95/527542295.db2.gz BQUJUUULSLBDIR-UHFFFAOYSA-N 0 3 429.152 4.263 20 0 IIADHN FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164392238 718826291 /nfs/dbraw/zinc/82/62/91/718826291.db2.gz ZNJJRLPXHDXFJB-MOPGFXCFSA-N 0 3 430.886 4.062 20 0 IIADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164624949 719107346 /nfs/dbraw/zinc/10/73/46/719107346.db2.gz FPXQGWUYEVLRJD-ZWKOTPCHSA-N 0 3 445.901 4.431 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)c2c1CCNC2 ZINC001164683568 719630243 /nfs/dbraw/zinc/63/02/43/719630243.db2.gz SVYJZRJJBYNQGB-UHFFFAOYSA-N 0 3 446.933 4.077 20 0 IIADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)c2c1CCNC2 ZINC001164679479 719646783 /nfs/dbraw/zinc/64/67/83/719646783.db2.gz BWVVARSKVUHIMP-UHFFFAOYSA-N 0 3 446.933 4.077 20 0 IIADHN CNC(=O)CN1CCCC12CCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)CC2 ZINC001164690278 719744717 /nfs/dbraw/zinc/74/47/17/719744717.db2.gz YDBKTEVACRMQNE-UHFFFAOYSA-N 0 3 447.608 4.053 20 0 IIADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729416 720417832 /nfs/dbraw/zinc/41/78/32/720417832.db2.gz HJZJDQSMEJPNSZ-RPBOFIJWSA-N 0 3 442.563 4.432 20 0 IIADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730907 720433184 /nfs/dbraw/zinc/43/31/84/720433184.db2.gz JPGBEAHJFGRIRD-PMACEKPBSA-N 0 3 436.943 4.313 20 0 IIADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164735726 720435594 /nfs/dbraw/zinc/43/55/94/720435594.db2.gz YCEWAZLJROIKRZ-ZWKOTPCHSA-N 0 3 425.895 4.310 20 0 IIADHN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837975 720739089 /nfs/dbraw/zinc/73/90/89/720739089.db2.gz PKJOHSIHAOPPRM-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN Cc1ccc(-c2csc3ncnc(N4C[C@@H]5CCN(Cc6cnn(C)c6)C[C@@H]5C4)c23)cc1 ZINC001164767292 721113484 /nfs/dbraw/zinc/11/34/84/721113484.db2.gz MINJFTBTJONJJG-LEWJYISDSA-N 0 3 444.608 4.359 20 0 IIADHN c1ccc(CSc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164878950 721159028 /nfs/dbraw/zinc/15/90/28/721159028.db2.gz RAGJHKMQJVXUGX-XZOQPEGZSA-N 0 3 432.593 4.249 20 0 IIADHN c1ccc(CSc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164878947 721159671 /nfs/dbraw/zinc/15/96/71/721159671.db2.gz RAGJHKMQJVXUGX-PKTZIBPZSA-N 0 3 432.593 4.249 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872173 721167524 /nfs/dbraw/zinc/16/75/24/721167524.db2.gz GRWOIPVGPGEUBH-RTWAWAEBSA-N 0 3 449.986 4.289 20 0 IIADHN Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ncccc2CN2CCCC2)CCO3)cs1 ZINC001164784491 721445640 /nfs/dbraw/zinc/44/56/40/721445640.db2.gz QGSPQOKJJBDMPE-XUZZJYLKSA-N 0 3 442.629 4.035 20 0 IIADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164812247 721581912 /nfs/dbraw/zinc/58/19/12/721581912.db2.gz ZRJZQOFNMVGIDY-DGWZTRNLSA-N 0 3 443.595 4.098 20 0 IIADHN CSc1nc2c(c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n1)CCCC2 ZINC001164907498 721701291 /nfs/dbraw/zinc/70/12/91/721701291.db2.gz UUIQBSDSMJJKGG-QFIPXVFZSA-N 0 3 445.583 4.210 20 0 IIADHN FC1(F)CCN(c2ccc3c(Cl)ccnc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904309 721711919 /nfs/dbraw/zinc/71/19/19/721711919.db2.gz BNVCZSMFDKESRV-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2cc3c(Cl)ccnc3cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906485 721713033 /nfs/dbraw/zinc/71/30/33/721713033.db2.gz MITZLUVUYSHISK-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN FC1(F)CCN(c2ncnc3sc4c(c32)CCC4)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906918 721723671 /nfs/dbraw/zinc/72/36/71/721723671.db2.gz PAFJXMOEXXKVGX-JOCHJYFZSA-N 0 3 441.551 4.313 20 0 IIADHN COc1cc(C)c2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164912697 721739571 /nfs/dbraw/zinc/73/95/71/721739571.db2.gz PMPRQZZITYCKJX-QHCPKHFHSA-N 0 3 439.510 4.080 20 0 IIADHN Clc1cccc(-c2cccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)n1 ZINC001164963259 722056430 /nfs/dbraw/zinc/05/64/30/722056430.db2.gz KDPHETWKOVIPJV-UHFFFAOYSA-N 0 3 449.986 4.311 20 0 IIADHN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(-c2ccsc2)n1 ZINC001164963373 722060827 /nfs/dbraw/zinc/06/08/27/722060827.db2.gz XQAPHOGTMKBKBF-UHFFFAOYSA-N 0 3 435.597 4.028 20 0 IIADHN FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983486 722102248 /nfs/dbraw/zinc/10/22/48/722102248.db2.gz QLYDYBQAFCQJEH-MAUKXSAKSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982141 722102898 /nfs/dbraw/zinc/10/28/98/722102898.db2.gz MZAZAWIMCPJARV-QAPCUYQASA-N 0 3 443.325 4.056 20 0 IIADHN COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973065 722116915 /nfs/dbraw/zinc/11/69/15/722116915.db2.gz GGVKOOJKJDEAIW-WZONZLPQSA-N 0 3 438.959 4.019 20 0 IIADHN Cc1cccc(Sc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164981790 722135138 /nfs/dbraw/zinc/13/51/38/722135138.db2.gz QLODRBAFNFMXIS-GMAHTHKFSA-N 0 3 447.608 4.059 20 0 IIADHN Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976091 722144702 /nfs/dbraw/zinc/14/47/02/722144702.db2.gz HAXNIRSPULDYLY-YADHBBJMSA-N 0 3 449.986 4.228 20 0 IIADHN c1ccc(CSc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982597 722146472 /nfs/dbraw/zinc/14/64/72/722146472.db2.gz RRJCHVONZCLQQR-ZCYQVOJMSA-N 0 3 446.620 4.496 20 0 IIADHN Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972753 722157097 /nfs/dbraw/zinc/15/70/97/722157097.db2.gz JKQATRCQNKMTEL-VQIMIIECSA-N 0 3 444.366 4.059 20 0 IIADHN COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974684 722158846 /nfs/dbraw/zinc/15/88/46/722158846.db2.gz OWUMDDJHXCVMKJ-JPYJTQIMSA-N 0 3 438.959 4.019 20 0 IIADHN CC(C)(C)OC(=O)C1CCN(c2ccc(CN[C@@](C)(CO)Cc3ccccc3F)o2)CC1 ZINC001308886804 1126168662 /nfs/dbraw/zinc/16/86/62/1126168662.db2.gz RKVLOQDGHDWVPT-RUZDIDTESA-N 0 3 446.563 4.060 20 0 IIADHN OC[C@]1(NCc2cnc(-c3c(F)cccc3F)s2)CCCN(Cc2ccccc2)C1 ZINC001461204525 1126193983 /nfs/dbraw/zinc/19/39/83/1126193983.db2.gz PUIWIKWJUCWPHU-QHCPKHFHSA-N 0 3 429.536 4.205 20 0 IIADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164624944 719107270 /nfs/dbraw/zinc/10/72/70/719107270.db2.gz FPXQGWUYEVLRJD-QZTJIDSGSA-N 0 3 445.901 4.431 20 0 IIADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730909 720434129 /nfs/dbraw/zinc/43/41/29/720434129.db2.gz JPGBEAHJFGRIRD-VQTJNVASSA-N 0 3 436.943 4.313 20 0 IIADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732522 720436391 /nfs/dbraw/zinc/43/63/91/720436391.db2.gz NYWCRVKFRGHINX-VEXUSMLFSA-N 0 3 428.584 4.257 20 0 IIADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164728522 720441266 /nfs/dbraw/zinc/44/12/66/720441266.db2.gz FOCUXYODZFIUSB-VXKWHMMOSA-N 0 3 433.943 4.236 20 0 IIADHN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843484 720739759 /nfs/dbraw/zinc/73/97/59/720739759.db2.gz LBISKJRIJSDNIC-UHFFFAOYSA-N 0 3 448.905 4.184 20 0 IIADHN Clc1cc(C2CCCCC2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874436 721183043 /nfs/dbraw/zinc/18/30/43/721183043.db2.gz JXPKAJJHZPTUFA-WOJBJXKFSA-N 0 3 427.980 4.052 20 0 IIADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@H]3C2)cn1 ZINC001164767623 721183685 /nfs/dbraw/zinc/18/36/85/721183685.db2.gz KFYMIQPOUHCFSN-LEWJYISDSA-N 0 3 437.975 4.006 20 0 IIADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772414 721200277 /nfs/dbraw/zinc/20/02/77/721200277.db2.gz UOBRYPWVTCPSLL-RTWAWAEBSA-N 0 3 442.542 4.128 20 0 IIADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CCN3C2)c1 ZINC001164908665 721565592 /nfs/dbraw/zinc/56/55/92/721565592.db2.gz RLKUTPIEGXJJLY-TZIWHRDSSA-N 0 3 436.556 4.250 20 0 IIADHN Cc1sc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1C ZINC001164908339 721587199 /nfs/dbraw/zinc/58/71/99/721587199.db2.gz YKGGAAITKFXFAX-NRFANRHFSA-N 0 3 429.540 4.441 20 0 IIADHN FC1(F)CCN(c2ccc3nccc(Cl)c3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906078 721719869 /nfs/dbraw/zinc/71/98/69/721719869.db2.gz JQWLFTQLNFYYPI-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN COc1ccc2c(C)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2c1 ZINC001164964134 722057749 /nfs/dbraw/zinc/05/77/49/722057749.db2.gz RUMIAHDUBOFLOX-UHFFFAOYSA-N 0 3 432.568 4.066 20 0 IIADHN FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985828 722101620 /nfs/dbraw/zinc/10/16/20/722101620.db2.gz XBMFDKXVGUEJHK-RDJZCZTQSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982066 722102045 /nfs/dbraw/zinc/10/20/45/722102045.db2.gz MRJWDFXTRVXWAJ-DOTOQJQBSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984708 722103003 /nfs/dbraw/zinc/10/30/03/722103003.db2.gz UCKWAKQNWWQVLY-QAPCUYQASA-N 0 3 443.325 4.056 20 0 IIADHN Clc1cccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164973838 722117754 /nfs/dbraw/zinc/11/77/54/722117754.db2.gz HJSNRTFVMMDWLQ-VQIMIIECSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1cccc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164977894 722155864 /nfs/dbraw/zinc/15/58/64/722155864.db2.gz ZDWREODKQGXMOG-DYESRHJHSA-N 0 3 426.923 4.150 20 0 IIADHN Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972742 722157272 /nfs/dbraw/zinc/15/72/72/722157272.db2.gz JKQATRCQNKMTEL-APWZRJJASA-N 0 3 444.366 4.059 20 0 IIADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc(Br)cc1F ZINC001179278012 1126151847 /nfs/dbraw/zinc/15/18/47/1126151847.db2.gz QEZLNDUSKWNPJI-QGZVFWFLSA-N 0 3 431.143 4.434 20 0 IIADHN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(I)cc1Cl ZINC001560183329 1126209063 /nfs/dbraw/zinc/20/90/63/1126209063.db2.gz MMXKIKMBOCLMMA-QGZVFWFLSA-N 0 3 433.692 4.167 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2cc(OC(F)F)ccc2Br)cc1 ZINC001560579828 1126213195 /nfs/dbraw/zinc/21/31/95/1126213195.db2.gz BHQGVPRJCOMGNN-IBGZPJMESA-N 0 3 430.289 4.142 20 0 IIADHN COc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789699 1126242867 /nfs/dbraw/zinc/24/28/67/1126242867.db2.gz GJWFJXDWBPNPPF-NFBKMPQASA-N 0 3 446.469 4.293 20 0 IIADHN COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC001164626531 719075800 /nfs/dbraw/zinc/07/58/00/719075800.db2.gz OGIGJODYUYCGGE-APWZRJJASA-N 0 3 435.902 4.167 20 0 IIADHN O=C(c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630517 719099310 /nfs/dbraw/zinc/09/93/10/719099310.db2.gz WTZCIHIBTHLVQG-NZQKXSOJSA-N 0 3 439.003 4.462 20 0 IIADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164623312 719114341 /nfs/dbraw/zinc/11/43/41/719114341.db2.gz CMJJMTRBORUMOV-CVEARBPZSA-N 0 3 449.958 4.471 20 0 IIADHN Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164770986 721161936 /nfs/dbraw/zinc/16/19/36/721161936.db2.gz RUDRKUJJFXDVDR-GOTSBHOMSA-N 0 3 438.579 4.297 20 0 IIADHN Cc1sc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773830 721201386 /nfs/dbraw/zinc/20/13/86/721201386.db2.gz XIZFXZHFJTZHSQ-LEWJYISDSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1sc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773831 721202577 /nfs/dbraw/zinc/20/25/77/721202577.db2.gz XIZFXZHFJTZHSQ-NHCUHLMSSA-N 0 3 444.608 4.359 20 0 IIADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763955 721236650 /nfs/dbraw/zinc/23/66/50/721236650.db2.gz OMOSBOPJKUDCMT-HOTGVXAUSA-N 0 3 431.918 4.167 20 0 IIADHN C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164796341 721498494 /nfs/dbraw/zinc/49/84/94/721498494.db2.gz QSMVRRBZEFMDCO-UHFFFAOYSA-N 0 3 439.963 4.240 20 0 IIADHN C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164796341 721498497 /nfs/dbraw/zinc/49/84/97/721498497.db2.gz QSMVRRBZEFMDCO-UHFFFAOYSA-N 0 3 439.963 4.240 20 0 IIADHN FC1(F)CCN(c2nc(Cl)nc3c2CCCC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904731 721692466 /nfs/dbraw/zinc/69/24/66/721692466.db2.gz FYOBOSHUVNLDIA-NRFANRHFSA-N 0 3 433.934 4.142 20 0 IIADHN CC(C)(C)OC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904924 721704164 /nfs/dbraw/zinc/70/41/64/721704164.db2.gz FRIGONRBYXHNNZ-HSZRJFAPSA-N 0 3 444.526 4.170 20 0 IIADHN CCc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)[nH]1 ZINC001164906439 721720518 /nfs/dbraw/zinc/72/05/18/721720518.db2.gz LWWVBINOBBCQHI-OAQYLSRUSA-N 0 3 446.933 4.306 20 0 IIADHN COc1ccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc(C)c2c1 ZINC001164962471 722056064 /nfs/dbraw/zinc/05/60/64/722056064.db2.gz DUICKIOFVFZPFA-UHFFFAOYSA-N 0 3 432.568 4.066 20 0 IIADHN FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985256 722101504 /nfs/dbraw/zinc/10/15/04/722101504.db2.gz VUCLJFFBPZJSFZ-CRAIPNDOSA-N 0 3 443.325 4.056 20 0 IIADHN FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982137 722103018 /nfs/dbraw/zinc/10/30/18/722103018.db2.gz MZAZAWIMCPJARV-MAUKXSAKSA-N 0 3 443.325 4.056 20 0 IIADHN Fc1ccc2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985262 722107842 /nfs/dbraw/zinc/10/78/42/722107842.db2.gz VWIYKHXREHYYGY-HTAPYJJXSA-N 0 3 426.923 4.150 20 0 IIADHN Clc1cnc2cc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2n1 ZINC001164978194 722112274 /nfs/dbraw/zinc/11/22/74/722112274.db2.gz NTAZBNJOOBGGIR-IIBYNOLFSA-N 0 3 444.366 4.059 20 0 IIADHN Fc1cc2ccc(Cl)nc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978248 722119019 /nfs/dbraw/zinc/11/90/19/722119019.db2.gz OCKSIUAPRXFONV-GHTZIAJQSA-N 0 3 426.923 4.150 20 0 IIADHN CC(C)(C)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164978061 722138877 /nfs/dbraw/zinc/13/88/77/722138877.db2.gz JLUOJQWYQAMCEW-RTWAWAEBSA-N 0 3 437.632 4.194 20 0 IIADHN CC(C)(C)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164978060 722139183 /nfs/dbraw/zinc/13/91/83/722139183.db2.gz JLUOJQWYQAMCEW-NHCUHLMSSA-N 0 3 437.632 4.194 20 0 IIADHN Fc1cc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164972221 722152851 /nfs/dbraw/zinc/15/28/51/722152851.db2.gz HCFLDEMFAZUKLF-GCJKJVERSA-N 0 3 426.923 4.150 20 0 IIADHN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977230 722158109 /nfs/dbraw/zinc/15/81/09/722158109.db2.gz YGQFGMRMAYXYBR-NQIIRXRSSA-N 0 3 448.945 4.280 20 0 IIADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164997452 722211048 /nfs/dbraw/zinc/21/10/48/722211048.db2.gz QJYWUGKBZCYCFV-SANMLTNESA-N 0 3 429.543 4.411 20 0 IIADHN O[C@H](C(F)F)[C@@H](Cc1ccccc1)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997669 1126095605 /nfs/dbraw/zinc/09/56/05/1126095605.db2.gz VKMWPPVLIZPIBB-MOPGFXCFSA-N 0 3 425.401 4.218 20 0 IIADHN Cc1nn(C(C)(C)C)c2nc(Cl)c(CN[C@H](CO)Cc3c[nH]c4ccccc34)cc12 ZINC001177829290 1126150768 /nfs/dbraw/zinc/15/07/68/1126150768.db2.gz MTGPMNROBWRQEZ-KRWDZBQOSA-N 0 3 425.964 4.323 20 0 IIADHN Cc1cc(Br)c(CN[C@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001560458630 1126211088 /nfs/dbraw/zinc/21/10/88/1126211088.db2.gz ABDGVFSEEBHDED-HNNXBMFYSA-N 0 3 431.143 4.352 20 0 IIADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164725725 720440691 /nfs/dbraw/zinc/44/06/91/720440691.db2.gz AWCHEQHXZBRGCF-NHCUHLMSSA-N 0 3 448.640 4.152 20 0 IIADHN c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164722958 720475192 /nfs/dbraw/zinc/47/51/92/720475192.db2.gz BMXXUNKQVPTUSI-UIOOFZCWSA-N 0 3 437.547 4.457 20 0 IIADHN FC(F)(c1nc2ccccc2nc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837912 720738781 /nfs/dbraw/zinc/73/87/81/720738781.db2.gz ORZVYMLVUWMOLE-UHFFFAOYSA-N 0 3 432.906 4.077 20 0 IIADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@@H]2C ZINC001164860712 720970250 /nfs/dbraw/zinc/97/02/50/720970250.db2.gz PPWKNIFQSUKODQ-GOSISDBHSA-N 0 3 447.562 4.237 20 0 IIADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872171 721167073 /nfs/dbraw/zinc/16/70/73/721167073.db2.gz GRWOIPVGPGEUBH-NHCUHLMSSA-N 0 3 449.986 4.289 20 0 IIADHN FC1(F)CCN(c2cc3ccc(Cl)nc3cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906537 721707695 /nfs/dbraw/zinc/70/76/95/721707695.db2.gz MPAZTMFHAXRPBU-OAQYLSRUSA-N 0 3 429.902 4.416 20 0 IIADHN CCCN(CCC)c1cncc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908768 721715851 /nfs/dbraw/zinc/71/58/51/721715851.db2.gz ZBBDSGSAQKPSME-HSZRJFAPSA-N 0 3 444.574 4.236 20 0 IIADHN Fc1ccc2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985263 722108051 /nfs/dbraw/zinc/10/80/51/722108051.db2.gz VWIYKHXREHYYGY-JTSKRJEESA-N 0 3 426.923 4.150 20 0 IIADHN Clc1cccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164973833 722117358 /nfs/dbraw/zinc/11/73/58/722117358.db2.gz HJSNRTFVMMDWLQ-LPHOPBHVSA-N 0 3 444.366 4.059 20 0 IIADHN Clc1cccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164973831 722117517 /nfs/dbraw/zinc/11/75/17/722117517.db2.gz HJSNRTFVMMDWLQ-APWZRJJASA-N 0 3 444.366 4.059 20 0 IIADHN COc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2cc(Cl)ccc12 ZINC001164973825 722118593 /nfs/dbraw/zinc/11/85/93/722118593.db2.gz HHQOLYZDNMOVCP-JPYJTQIMSA-N 0 3 438.959 4.019 20 0 IIADHN Fc1ccc(F)c2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164975322 722157160 /nfs/dbraw/zinc/15/71/60/722157160.db2.gz SHSCPZJOKWWIDQ-UZLBHIALSA-N 0 3 444.913 4.289 20 0 IIADHN CCOC(=O)c1ccc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164994003 722199518 /nfs/dbraw/zinc/19/95/18/722199518.db2.gz CIHANXKUIKUEAW-RUZDIDTESA-N 0 3 434.515 4.191 20 0 IIADHN COC(=O)c1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c2ccccc2c1OC ZINC001164997834 722210767 /nfs/dbraw/zinc/21/07/67/722210767.db2.gz SITMCENSTGDOHZ-SANMLTNESA-N 0 3 449.526 4.414 20 0 IIADHN O[C@H](C(F)F)[C@H](Cc1ccccc1)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605196 1126094895 /nfs/dbraw/zinc/09/48/95/1126094895.db2.gz RWKJSVNVYZPHAF-PMACEKPBSA-N 0 3 439.428 4.277 20 0 IIADHN O[C@@H](C(F)F)[C@@H](Cc1ccccc1)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997672 1126095613 /nfs/dbraw/zinc/09/56/13/1126095613.db2.gz VKMWPPVLIZPIBB-RTBURBONSA-N 0 3 425.401 4.218 20 0 IIADHN COc1ccc(C[C@@](C)(CO)NCc2cc(Br)ccc2OC(F)F)cc1 ZINC001473838141 1126199004 /nfs/dbraw/zinc/19/90/04/1126199004.db2.gz DCTRYOCRLMHRKQ-IBGZPJMESA-N 0 3 430.289 4.142 20 0 IIADHN COc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998123 1126201122 /nfs/dbraw/zinc/20/11/22/1126201122.db2.gz BHDKYNNWDOYWTF-MAUKXSAKSA-N 0 3 437.380 4.260 20 0 IIADHN COc1ccc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)c(Cl)c1OC ZINC001621022376 1126244594 /nfs/dbraw/zinc/24/45/94/1126244594.db2.gz UHQCGMVDBIJKNA-LJQANCHMSA-N 0 3 428.754 4.203 20 0 IIADHN C[C@](CO)(Cc1ccccc1F)NCc1cc(Br)cc(Br)c1N ZINC001621022246 1126244676 /nfs/dbraw/zinc/24/46/76/1126244676.db2.gz OPCMBMLTDCJQRQ-QGZVFWFLSA-N 0 3 446.158 4.016 20 0 IIADHN COc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789702 1126242792 /nfs/dbraw/zinc/24/27/92/1126242792.db2.gz GJWFJXDWBPNPPF-REWPJTCUSA-N 0 3 446.469 4.293 20 0 IIADHN CCOc1c(Br)cc(CNC[C@@H](O)c2ccccc2)cc1Br ZINC000020476843 520591304 /nfs/dbraw/zinc/59/13/04/520591304.db2.gz GGHFKEOQHMFUQK-MRXNPFEDSA-N 0 3 429.152 4.434 20 0 IIADHN