smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCc1nnc(N2C[C@@H]3CCC[C@H]32)n1CCCCNC(=O)OC(C)(C)C ZINC001300642256 1069310454 /nfs/dbraw/zinc/31/04/54/1069310454.db2.gz XGCJZQUQPQVOIA-RBUKOAKNSA-N 0 0 471.602 4.159 20 0 JIADRN COc1ccccc1OCc1nnc(N2CC[C@@H]3CCC[C@@H]32)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001300642283 1069310553 /nfs/dbraw/zinc/31/05/53/1069310553.db2.gz KTJMALKGNPFTAX-AABGKKOBSA-N 0 0 485.629 4.500 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001300643718 1069314558 /nfs/dbraw/zinc/31/45/58/1069314558.db2.gz RHTPQRGSGALYAY-VQTJNVASSA-N 0 0 472.630 4.201 20 0 JIADRN Cc1ccccc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)N(C)C ZINC001492592021 1069315085 /nfs/dbraw/zinc/31/50/85/1069315085.db2.gz BBUFIXSOFGORKA-UHFFFAOYSA-N 0 0 498.672 4.206 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@H](OC(=O)c2cnc(C)nc2C)c2ccccc2)cc1 ZINC001354537918 1069315403 /nfs/dbraw/zinc/31/54/03/1069315403.db2.gz DLCUUSKWOAVQFH-JPYJTQIMSA-N 0 0 453.564 4.009 20 0 JIADRN Cc1ccccc1CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C1CC1 ZINC001492592058 1069316677 /nfs/dbraw/zinc/31/66/77/1069316677.db2.gz BQEMKKGBAJGPDB-IDISGSTGSA-N 0 0 483.657 4.498 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)[C@H](OC(=O)[C@@H]2C[C@H]2c2cccnc2)c2ccccc2)cc1 ZINC001354540262 1069316893 /nfs/dbraw/zinc/31/68/93/1069316893.db2.gz WSSJZUSBWVKHMH-IODBPXAYSA-N 0 0 464.587 4.487 20 0 JIADRN Cc1ccccc1CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C1CC1 ZINC001492592062 1069316962 /nfs/dbraw/zinc/31/69/62/1069316962.db2.gz BQEMKKGBAJGPDB-ZBLYBZFDSA-N 0 0 483.657 4.498 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)[C@@H](OC(=O)CCc2cncs2)c2ccccc2)cc1 ZINC001354540605 1069317150 /nfs/dbraw/zinc/31/71/50/1069317150.db2.gz ZSBCISFQPYUXAC-FDDCHVKYSA-N 0 0 458.605 4.378 20 0 JIADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccnc2C2CC2)c1 ZINC001354540210 1069317198 /nfs/dbraw/zinc/31/71/98/1069317198.db2.gz VFHSUPJUMOIMGG-UHFFFAOYSA-N 0 0 451.548 4.435 20 0 JIADRN O=C(N[C@H](COc1ccccc1F)c1ccccc1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001354542038 1069317624 /nfs/dbraw/zinc/31/76/24/1069317624.db2.gz PNNBSAKJOGVJKU-LAUBAEHRSA-N 0 0 454.448 4.393 20 0 JIADRN CCC(O)(CC)C(C)(C)CNC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300645357 1069318419 /nfs/dbraw/zinc/31/84/19/1069318419.db2.gz CHHXOMPNNFLSOQ-SFHVURJKSA-N 0 0 450.624 4.071 20 0 JIADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC001354546561 1069321059 /nfs/dbraw/zinc/32/10/59/1069321059.db2.gz ZTLQGFAZRHJDOU-UHFFFAOYSA-N 0 0 450.866 4.410 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1CC1 ZINC001300646497 1069321132 /nfs/dbraw/zinc/32/11/32/1069321132.db2.gz IJWYQFBMVREDQQ-IBGZPJMESA-N 0 0 471.602 4.017 20 0 JIADRN COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(Br)cc1Br ZINC001354546299 1069321233 /nfs/dbraw/zinc/32/12/33/1069321233.db2.gz ILBQRGDQLBLHCR-MRXNPFEDSA-N 0 0 453.130 4.124 20 0 JIADRN Cc1cccc(NC(=O)CN2CCN(C(=O)Nc3ccc(F)cc3OCC3CC3)CC2)c1C ZINC001200700840 1069322398 /nfs/dbraw/zinc/32/23/98/1069322398.db2.gz UHJDOFUQIRKNQV-UHFFFAOYSA-N 0 0 454.546 4.020 20 0 JIADRN CN(C)[C@H](C(=O)Nc1cc(F)c(F)cc1I)c1ccc(Cl)cc1 ZINC001354546973 1069322624 /nfs/dbraw/zinc/32/26/24/1069322624.db2.gz PETOVBTYNAWGCM-HNNXBMFYSA-N 0 0 450.654 4.464 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CCc1ccncc1 ZINC001300647777 1069324683 /nfs/dbraw/zinc/32/46/83/1069324683.db2.gz GDAQMEZQSQZELW-HXUWFJFHSA-N 0 0 453.612 4.225 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CC(C)(C)SC ZINC001300647843 1069324766 /nfs/dbraw/zinc/32/47/66/1069324766.db2.gz GRRUIYWABFGTFI-GOSISDBHSA-N 0 0 456.616 4.082 20 0 JIADRN CCS(=O)(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001354548137 1069324801 /nfs/dbraw/zinc/32/48/01/1069324801.db2.gz CTODYEWRIIDTKW-UHFFFAOYSA-N 0 0 450.495 4.119 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1Cc1ccnc(SC)c1 ZINC001300647919 1069325301 /nfs/dbraw/zinc/32/53/01/1069325301.db2.gz QSRWVWMLZFVKAD-DEOSSOPVSA-N 0 0 469.611 4.036 20 0 JIADRN Cc1ccc(NC(=O)C2CCN(C(=O)c3nc4ccccc4cc3Br)CC2)nc1 ZINC001354550562 1069327843 /nfs/dbraw/zinc/32/78/43/1069327843.db2.gz QKOZDWKAXJLPHW-UHFFFAOYSA-N 0 0 453.340 4.192 20 0 JIADRN O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000504489001 1069330217 /nfs/dbraw/zinc/33/02/17/1069330217.db2.gz OCGAJODMJRTEHP-UHFFFAOYSA-N 0 0 469.057 4.498 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H]1OCCC1(C)C ZINC001300650077 1069331291 /nfs/dbraw/zinc/33/12/91/1069331291.db2.gz MEODMYJDJMSAAE-FXAWDEMLSA-N 0 0 498.546 4.229 20 0 JIADRN COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC001354553771 1069332465 /nfs/dbraw/zinc/33/24/65/1069332465.db2.gz AHBXJORKTMRSST-UHFFFAOYSA-N 0 0 455.308 4.148 20 0 JIADRN COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br ZINC001354557133 1069335218 /nfs/dbraw/zinc/33/52/18/1069335218.db2.gz UJYNLNYRPMPQQZ-UHFFFAOYSA-N 0 0 455.146 4.417 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCC[C@H]2C(C)C)n1CCCc1nnc(C)s1 ZINC001300651340 1069335334 /nfs/dbraw/zinc/33/53/34/1069335334.db2.gz XAOWHFVSPPLNKI-SFHVURJKSA-N 0 0 456.616 4.283 20 0 JIADRN Cc1ccccc1CN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492593788 1069335326 /nfs/dbraw/zinc/33/53/26/1069335326.db2.gz ZMOAMAAYTAQPIT-NHCUHLMSSA-N 0 0 455.603 4.474 20 0 JIADRN Cc1ccccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F ZINC001492594149 1069336555 /nfs/dbraw/zinc/33/65/55/1069336555.db2.gz JSEYMKQJEDQPEN-GOSISDBHSA-N 0 0 465.545 4.035 20 0 JIADRN Cc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCOC1 ZINC001492594203 1069337598 /nfs/dbraw/zinc/33/75/98/1069337598.db2.gz LDECDWCDIWCZRZ-QGZVFWFLSA-N 0 0 458.404 4.266 20 0 JIADRN Cc1cccc(S(=O)(=O)N2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)c1F ZINC001200708611 1069346256 /nfs/dbraw/zinc/34/62/56/1069346256.db2.gz RXYNGLBCPGLCNR-FQEVSTJZSA-N 0 0 486.609 4.236 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC1(C)CCC1 ZINC001300653628 1069343346 /nfs/dbraw/zinc/34/33/46/1069343346.db2.gz XWEKAQNYOSMDHB-QGZVFWFLSA-N 0 0 467.536 4.129 20 0 JIADRN CC[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2I)c2ccccc2O1 ZINC001354569089 1069343895 /nfs/dbraw/zinc/34/38/95/1069343895.db2.gz UENPOUDEGZHALE-LBPRGKRZSA-N 0 0 453.276 4.126 20 0 JIADRN Cc1cccc(S(=O)(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C(F)(F)F)c1F ZINC001200708534 1069346299 /nfs/dbraw/zinc/34/62/99/1069346299.db2.gz OHKVPCCUEZDWNN-KRWDZBQOSA-N 0 0 480.524 4.477 20 0 JIADRN Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492594327 1069344413 /nfs/dbraw/zinc/34/44/13/1069344413.db2.gz OBYZCGYEHYJSDL-CEMLEFRQSA-N 0 0 469.630 4.268 20 0 JIADRN O[C@H]1CCN(c2ccc(NC(=S)Nc3ccc(Br)cc3OC(F)(F)F)cn2)C1 ZINC001200708211 1069345269 /nfs/dbraw/zinc/34/52/69/1069345269.db2.gz HTISIEAAZNFBCR-LBPRGKRZSA-N 0 0 477.306 4.123 20 0 JIADRN C[C@H](CNC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C)Oc1cccc(F)c1 ZINC001354580041 1069350125 /nfs/dbraw/zinc/35/01/25/1069350125.db2.gz GIYXSOIEFYRXEL-ZHRRBRCNSA-N 0 0 455.530 4.327 20 0 JIADRN FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001200711117 1069353110 /nfs/dbraw/zinc/35/31/10/1069353110.db2.gz KFFIFRPTOCDRFL-OVYXKVPISA-N 0 0 465.213 4.449 20 0 JIADRN CCC(=O)NC1CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200711686 1069354654 /nfs/dbraw/zinc/35/46/54/1069354654.db2.gz UIBJVMOGGBXQEI-UHFFFAOYSA-N 0 0 454.312 4.035 20 0 JIADRN FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CCn2c(nnc2C2CC2)C1 ZINC001200711978 1069356333 /nfs/dbraw/zinc/35/63/33/1069356333.db2.gz WCBLGMJZUGDVGU-UHFFFAOYSA-N 0 0 462.295 4.029 20 0 JIADRN COc1ccc(NC(=S)Nc2ccc(Br)cc2OC(F)(F)F)c(C(N)=O)c1 ZINC001200713187 1069361082 /nfs/dbraw/zinc/36/10/82/1069361082.db2.gz QRCQLETVHKJTDZ-UHFFFAOYSA-N 0 0 464.263 4.264 20 0 JIADRN O=C(NC1CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1)C(F)(F)F ZINC001200712139 1069357248 /nfs/dbraw/zinc/35/72/48/1069357248.db2.gz ZQKGZPJIUXPSRA-UHFFFAOYSA-N 0 0 494.255 4.187 20 0 JIADRN O=C1OCCCN1C1CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200714188 1069365437 /nfs/dbraw/zinc/36/54/37/1069365437.db2.gz PHXIYSJSRPISPP-UHFFFAOYSA-N 0 0 482.322 4.351 20 0 JIADRN CCc1nc2cc(NC(=O)N(C[C@H](O)COc3ccc(NC(C)=O)cc3)C(C)C)ccc2o1 ZINC001200713275 1069361737 /nfs/dbraw/zinc/36/17/37/1069361737.db2.gz OAHIFTSFNPXIJD-IBGZPJMESA-N 0 0 454.527 4.031 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1sc(C)nc1C ZINC001300659693 1069365471 /nfs/dbraw/zinc/36/54/71/1069365471.db2.gz FUAOLDUMVHWVLQ-JKSUJKDBSA-N 0 0 459.641 4.318 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCSCC(F)(F)F ZINC001300658795 1069362476 /nfs/dbraw/zinc/36/24/76/1069362476.db2.gz JGTKQSQCNNFJLJ-LJQANCHMSA-N 0 0 498.527 4.332 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001300658756 1069362605 /nfs/dbraw/zinc/36/26/05/1069362605.db2.gz IKQWZVWWLWXNRE-PXDATVDWSA-N 0 0 486.638 4.086 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001300658872 1069362626 /nfs/dbraw/zinc/36/26/26/1069362626.db2.gz KUYBEVPJXBNUIA-UNVFRBQDSA-N 0 0 472.630 4.322 20 0 JIADRN O=C1CN(c2ccc(NC(=S)Nc3ccc(Br)cc3OC(F)(F)F)cc2)CCN1 ZINC001200713641 1069363786 /nfs/dbraw/zinc/36/37/86/1069363786.db2.gz WJFQHQDZCFYZCN-UHFFFAOYSA-N 0 0 489.317 4.093 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCO[C@H](C(C)C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001300659154 1069363801 /nfs/dbraw/zinc/36/38/01/1069363801.db2.gz RFWNCONWWZRZJK-NRFANRHFSA-N 0 0 469.586 4.061 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001300659373 1069364340 /nfs/dbraw/zinc/36/43/40/1069364340.db2.gz XRIWAZGRQRBBQH-GRYUFTJMSA-N 0 0 472.630 4.178 20 0 JIADRN O=C(NC1CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1)N1CCCC1 ZINC001200714784 1069367794 /nfs/dbraw/zinc/36/77/94/1069367794.db2.gz WNZYJPXXTCNTNH-UHFFFAOYSA-N 0 0 495.365 4.314 20 0 JIADRN COc1ccccc1SCc1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H]1NC(=O)CC1(C)C ZINC001300660498 1069368338 /nfs/dbraw/zinc/36/83/38/1069368338.db2.gz HEVQNOFFQZIOBR-OXJNMPFZSA-N 0 0 469.611 4.284 20 0 JIADRN COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[C@H]1OC ZINC001300660672 1069368972 /nfs/dbraw/zinc/36/89/72/1069368972.db2.gz NXWGHWIIZNLGOH-BRSBDYLESA-N 0 0 468.520 4.315 20 0 JIADRN COc1ccccc1OCc1nnc(N2CCSC3(CCOCC3)C2)n1CCCC(F)(F)F ZINC001300661688 1069374715 /nfs/dbraw/zinc/37/47/15/1069374715.db2.gz VHNZRBPGMNQSAY-UHFFFAOYSA-N 0 0 486.560 4.311 20 0 JIADRN COc1ccccc1OCCN(C)c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001300660891 1069371023 /nfs/dbraw/zinc/37/10/23/1069371023.db2.gz LEGOQGGIQOENSH-ZWKOTPCHSA-N 0 0 495.546 4.218 20 0 JIADRN FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@H]1CCN(Cc2ccncc2)C1 ZINC001200715699 1069372664 /nfs/dbraw/zinc/37/26/64/1069372664.db2.gz MJWUOODUBQYUQO-AWEZNQCLSA-N 0 0 475.334 4.304 20 0 JIADRN FC(F)(F)Oc1cc(Br)ccc1NC(=S)NCC1CCN(c2ccncn2)CC1 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CC(C)(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001359535409 1069829286 /nfs/dbraw/zinc/82/92/86/1069829286.db2.gz QNBFXLSOMWWSPU-IQGLISFBSA-N 0 0 463.667 4.301 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC[C@H]1CCOC1 ZINC001359535606 1069830120 /nfs/dbraw/zinc/83/01/20/1069830120.db2.gz VCLCYXKFEXSEIR-IRXDYDNUSA-N 0 0 454.541 4.350 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCCOC1CCOCC1 ZINC001359538185 1069833719 /nfs/dbraw/zinc/83/37/19/1069833719.db2.gz IBWDZJBJKVOEKL-UHFFFAOYSA-N 0 0 489.705 4.071 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CCCc1ccccc1 ZINC001359535796 1069830315 /nfs/dbraw/zinc/83/03/15/1069830315.db2.gz YYVVUHNCQHURIY-HSZRJFAPSA-N 0 0 487.714 4.330 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1CCNC(=O)c1cccs1 ZINC001359535806 1069830427 /nfs/dbraw/zinc/83/04/27/1069830427.db2.gz ZDMYWDQXPQVSQZ-RBUKOAKNSA-N 0 0 459.660 4.001 20 0 JIADRN 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CC(C)(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1Cc1ccc(F)cc1F ZINC001359538291 1069834110 /nfs/dbraw/zinc/83/41/10/1069834110.db2.gz LZPGOILJSLXDRB-UHFFFAOYSA-N 0 0 459.585 4.422 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001359538311 1069834157 /nfs/dbraw/zinc/83/41/57/1069834157.db2.gz MUZFULMYIXEMNV-AZUAARDMSA-N 0 0 459.585 4.035 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@H]1CCCSC1 ZINC001359538643 1069834820 /nfs/dbraw/zinc/83/48/20/1069834820.db2.gz YYCJVNMKPURRFV-LJQANCHMSA-N 0 0 473.662 4.040 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001359538804 1069835119 /nfs/dbraw/zinc/83/51/19/1069835119.db2.gz GFSDFXUAISWGSE-UHFFFAOYSA-N 0 0 492.068 4.157 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3ccccn3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359538836 1069835138 /nfs/dbraw/zinc/83/51/38/1069835138.db2.gz HPBZXVKYDRHKJM-UHFFFAOYSA-N 0 0 489.546 4.081 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3cnccn3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359539702 1069836678 /nfs/dbraw/zinc/83/66/78/1069836678.db2.gz SASQOMIGPQCUSV-DLBZAZTESA-N 0 0 451.541 4.277 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3cccs3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359539816 1069836870 /nfs/dbraw/zinc/83/68/70/1069836870.db2.gz WMWAAEKGIYFUTI-UHFFFAOYSA-N 0 0 479.576 4.306 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001359539985 1069837086 /nfs/dbraw/zinc/83/70/86/1069837086.db2.gz DAJKORBVVXLXJE-UHFFFAOYSA-N 0 0 499.553 4.099 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001359540442 1069837722 /nfs/dbraw/zinc/83/77/22/1069837722.db2.gz WGSRKVIXNFMBEZ-QHCPKHFHSA-N 0 0 480.701 4.131 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccccc3)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001359541790 1069839619 /nfs/dbraw/zinc/83/96/19/1069839619.db2.gz JAAXWTFYWGGTAN-LEWJYISDSA-N 0 0 495.590 4.098 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@@]1(O)CCSC1 ZINC001359541806 1069839857 /nfs/dbraw/zinc/83/98/57/1069839857.db2.gz JIWDLIOUKWHDNC-AVRDEDQJSA-N 0 0 495.487 4.075 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccccc3)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001359541793 1069839874 /nfs/dbraw/zinc/83/98/74/1069839874.db2.gz JAAXWTFYWGGTAN-SFTDATJTSA-N 0 0 495.590 4.098 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001359542462 1069841108 /nfs/dbraw/zinc/84/11/08/1069841108.db2.gz YVVKCAVSCDANGE-MSOLQXFVSA-N 0 0 486.510 4.470 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359543182 1069841645 /nfs/dbraw/zinc/84/16/45/1069841645.db2.gz SOJICEGGNCIPAO-SFHVURJKSA-N 0 0 480.510 4.175 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCOC3(CCOCC3)C2)n1CCCCOc1ccc(F)cc1 ZINC001359543277 1069841767 /nfs/dbraw/zinc/84/17/67/1069841767.db2.gz VPHFRJFUGURAFN-UHFFFAOYSA-N 0 0 460.594 4.251 20 0 JIADRN CC(C)(C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001359544089 1069842835 /nfs/dbraw/zinc/84/28/35/1069842835.db2.gz CQGUTZRTISZGKG-UHFFFAOYSA-N 0 0 459.616 4.036 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3nccs3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359543307 1069842112 /nfs/dbraw/zinc/84/21/12/1069842112.db2.gz WGDYCTRLECIPOR-INIZCTEOSA-N 0 0 478.663 4.204 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1ccnc(-n2cccn2)c1 ZINC001359541612 1069839263 /nfs/dbraw/zinc/83/92/63/1069839263.db2.gz DRPKPSAGAXSVBX-RUZDIDTESA-N 0 0 451.619 4.137 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[C@H]1COCCO1 ZINC001359541616 1069839284 /nfs/dbraw/zinc/83/92/84/1069839284.db2.gz DSVBOUJEIUFAHH-PMACEKPBSA-N 0 0 493.446 4.013 20 0 JIADRN CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)n2)CC1(C)C ZINC001300793798 1069844277 /nfs/dbraw/zinc/84/42/77/1069844277.db2.gz HBBAFUQMEJUJRN-FQEVSTJZSA-N 0 0 487.446 4.244 20 0 JIADRN CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2F)CC1(C)C ZINC001300793857 1069844350 /nfs/dbraw/zinc/84/43/50/1069844350.db2.gz HZASKNZMOZRJMQ-QGZVFWFLSA-N 0 0 466.330 4.223 20 0 JIADRN CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ncnn2C(C)(C)C)CC[C@@H]1C ZINC001300794140 1069844545 /nfs/dbraw/zinc/84/45/45/1069844545.db2.gz CHJUFIJWEYIDCG-SQGPQFPESA-N 0 0 488.036 4.328 20 0 JIADRN CO[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCc2ccccn2)CC1(C)C ZINC001300794270 1069845009 /nfs/dbraw/zinc/84/50/09/1069845009.db2.gz JIJVXYVIYDNIJA-IBGZPJMESA-N 0 0 474.378 4.346 20 0 JIADRN CO[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2N(C)C)CC1(C)C ZINC001300794294 1069845348 /nfs/dbraw/zinc/84/53/48/1069845348.db2.gz DADWINUYZDDOTQ-RDPSFJRHSA-N 0 0 478.641 4.405 20 0 JIADRN CO[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSC(F)(F)F)CC[C@H]1C ZINC001300794352 1069845441 /nfs/dbraw/zinc/84/54/41/1069845441.db2.gz JQUHCHDBQUQDLY-RDTXWAMCSA-N 0 0 466.533 4.449 20 0 JIADRN Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001492595278 1069845691 /nfs/dbraw/zinc/84/56/91/1069845691.db2.gz UILDSEPGTCSLHY-UHFFFAOYSA-N 0 0 477.556 4.182 20 0 JIADRN CC(C)(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001359544945 1069848077 /nfs/dbraw/zinc/84/80/77/1069848077.db2.gz HPRZVPGNSAEDGY-QZTJIDSGSA-N 0 0 450.674 4.280 20 0 JIADRN CC(C)(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001359545383 1069848464 /nfs/dbraw/zinc/84/84/64/1069848464.db2.gz SBJLBPWJXGNSMU-LJQANCHMSA-N 0 0 460.667 4.209 20 0 JIADRN CC(C)(C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001359545746 1069848821 /nfs/dbraw/zinc/84/88/21/1069848821.db2.gz DKSSHLSQYXQFAL-UHFFFAOYSA-N 0 0 462.660 4.216 20 0 JIADRN CC(C)(C)COc1ccc2c(c1)CCN(c1nnc(C3CCC3)n1CC(=O)NCC(F)(F)F)C2 ZINC001359547394 1069852639 /nfs/dbraw/zinc/85/26/39/1069852639.db2.gz NNDZIAXDVQPIPM-UHFFFAOYSA-N 0 0 479.547 4.212 20 0 JIADRN CC(C)(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001359546025 1069849669 /nfs/dbraw/zinc/84/96/69/1069849669.db2.gz NWCHZHVFMQAVCL-VWLOTQADSA-N 0 0 485.629 4.333 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001359550384 1069858959 /nfs/dbraw/zinc/85/89/59/1069858959.db2.gz AJVNVHWEGPJFSD-FQEVSTJZSA-N 0 0 498.516 4.407 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001359550631 1069859326 /nfs/dbraw/zinc/85/93/26/1069859326.db2.gz JFPALEGNSSMVIL-FPOVZHCZSA-N 0 0 496.656 4.086 20 0 JIADRN CC(C)(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001359551215 1069860570 /nfs/dbraw/zinc/86/05/70/1069860570.db2.gz CYMGTCINLBUJJU-YADHBBJMSA-N 0 0 487.620 4.149 20 0 JIADRN CC(C)(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N(CCc1ccc(F)cc1)C1CC1 ZINC001359551437 1069861122 /nfs/dbraw/zinc/86/11/22/1069861122.db2.gz KFFJOEVCBUGUGZ-OAQYLSRUSA-N 0 0 457.594 4.175 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001359551945 1069861147 /nfs/dbraw/zinc/86/11/47/1069861147.db2.gz YZCOGSNNWFJSIQ-MRXNPFEDSA-N 0 0 492.546 4.279 20 0 JIADRN CC(C)(C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCCC2)C1 ZINC001359553002 1069862656 /nfs/dbraw/zinc/86/26/56/1069862656.db2.gz KMOHYLHVUQMADZ-TZIWHRDSSA-N 0 0 475.678 4.041 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(C3CCC3)n2CCc2ccc(Br)s2)CC1 ZINC001359553477 1069863451 /nfs/dbraw/zinc/86/34/51/1069863451.db2.gz CRPDXFTZSROHJY-UHFFFAOYSA-N 0 0 495.491 4.242 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccco2)C1 ZINC001359554013 1069864279 /nfs/dbraw/zinc/86/42/79/1069864279.db2.gz WSQACFPXYOBSRS-INIZCTEOSA-N 0 0 476.528 4.386 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)c2cccs2)CC1 ZINC001359554063 1069864312 /nfs/dbraw/zinc/86/43/12/1069864312.db2.gz YFHPDPQQMCCKFK-SFHVURJKSA-N 0 0 474.675 4.189 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCOC2)C1 ZINC001359553872 1069864458 /nfs/dbraw/zinc/86/44/58/1069864458.db2.gz QZVCYXQYXCUXLZ-ZWKOTPCHSA-N 0 0 485.620 4.473 20 0 JIADRN CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1C(C)(C)C ZINC001359554159 1069864756 /nfs/dbraw/zinc/86/47/56/1069864756.db2.gz AVPNLBFBEYIXON-HZPDHXFCSA-N 0 0 487.567 4.133 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccoc2)C1 ZINC001359554272 1069865197 /nfs/dbraw/zinc/86/51/97/1069865197.db2.gz FUKUTKYBNYLLRR-RTBURBONSA-N 0 0 495.571 4.284 20 0 JIADRN CC(C)(C)OC(=O)N(CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(C)(C)C)C1)C1CC1 ZINC001359554456 1069865588 /nfs/dbraw/zinc/86/55/88/1069865588.db2.gz MCGUEIUTGZCRME-OALUTQOASA-N 0 0 461.651 4.444 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H]2CCCO2)C1 ZINC001359554485 1069865967 /nfs/dbraw/zinc/86/59/67/1069865967.db2.gz MOZVHCQOOLJVDP-ROUUACIJSA-N 0 0 469.577 4.196 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCCCC3)n2CC(=O)NC2CCCCC2)CC1 ZINC001359555205 1069867916 /nfs/dbraw/zinc/86/79/16/1069867916.db2.gz LIZPLQOEYXRROI-UHFFFAOYSA-N 0 0 488.677 4.222 20 0 JIADRN 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ZINC001329365813 1066338440 /nfs/dbraw/zinc/33/84/40/1066338440.db2.gz WSVDDEUEUNIXSM-UHFFFAOYSA-N 0 0 473.352 4.318 20 0 JIADRN CSCCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001316453854 1066339188 /nfs/dbraw/zinc/33/91/88/1066339188.db2.gz OFPGMHNVLNMDPY-UHFFFAOYSA-N 0 0 465.067 4.364 20 0 JIADRN CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001316454014 1066339603 /nfs/dbraw/zinc/33/96/03/1066339603.db2.gz DYEIGDCSLSVHFC-MJGOQNOKSA-N 0 0 463.673 4.075 20 0 JIADRN CSCCCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001316454467 1066340814 /nfs/dbraw/zinc/34/08/14/1066340814.db2.gz QTXJPDHTTGLORU-FQEVSTJZSA-N 0 0 459.660 4.128 20 0 JIADRN CSCCCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001316454475 1066340946 /nfs/dbraw/zinc/34/09/46/1066340946.db2.gz RAHVLVDKCHJJAM-KRWDZBQOSA-N 0 0 450.052 4.113 20 0 JIADRN CSCCCCCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001316454557 1066341101 /nfs/dbraw/zinc/34/11/01/1066341101.db2.gz IEBAWKPCELYJPP-QGZVFWFLSA-N 0 0 470.565 4.425 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(O)(c4ccccc4)CC3)n2CCCOC(F)(F)F)n1 ZINC001492511265 1066344343 /nfs/dbraw/zinc/34/43/43/1066344343.db2.gz SPGXIWITFAHVAX-UHFFFAOYSA-N 0 0 461.488 4.063 20 0 JIADRN CSCCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001316455815 1066344675 /nfs/dbraw/zinc/34/46/75/1066344675.db2.gz LLNMRWOKKFWKGD-LJQANCHMSA-N 0 0 471.092 4.069 20 0 JIADRN CSCCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001316455983 1066345031 /nfs/dbraw/zinc/34/50/31/1066345031.db2.gz NZHWGBKGNXPIBU-UHFFFAOYSA-N 0 0 470.687 4.169 20 0 JIADRN CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001316456285 1066345354 /nfs/dbraw/zinc/34/53/54/1066345354.db2.gz VXAKOBDNKQUAMX-RUZDIDTESA-N 0 0 480.638 4.211 20 0 JIADRN Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001492511611 1066345639 /nfs/dbraw/zinc/34/56/39/1066345639.db2.gz DMWKPWVCKHOJKT-JXFKEZNVSA-N 0 0 495.628 4.408 20 0 JIADRN COc1ccc(N(C)S(=O)(=O)c2cccc(-c3nnc(-c4c(C)nc5ccccn54)o3)c2)cc1 ZINC001330128302 1066346181 /nfs/dbraw/zinc/34/61/81/1066346181.db2.gz NAIMCLKASCYGLH-UHFFFAOYSA-N 0 0 475.530 4.193 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCOc2ncccc2F)n1 ZINC001492511879 1066348182 /nfs/dbraw/zinc/34/81/82/1066348182.db2.gz NBWCHJORHVORFQ-UHFFFAOYSA-N 0 0 464.467 4.430 20 0 JIADRN CSCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001316458035 1066348668 /nfs/dbraw/zinc/34/86/68/1066348668.db2.gz AYKIVUHIBCRFMK-PMACEKPBSA-N 0 0 480.700 4.192 20 0 JIADRN CSCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001316458211 1066348982 /nfs/dbraw/zinc/34/89/82/1066348982.db2.gz LDCLTNGPICFOGF-UHFFFAOYSA-N 0 0 455.550 4.313 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(Cn4cccn4)CC3)n2CCSCC(F)(F)F)n1 ZINC001492512033 1066349230 /nfs/dbraw/zinc/34/92/30/1066349230.db2.gz TVMAJXWTXTXCSN-UHFFFAOYSA-N 0 0 465.549 4.057 20 0 JIADRN CSCCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001316458374 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SMWTVEICAUWVGZ-INIZCTEOSA-N 0 0 454.575 4.331 20 0 JIADRN CSCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001316460350 1066354986 /nfs/dbraw/zinc/35/49/86/1066354986.db2.gz FGLAQUDGGVGQND-KRWDZBQOSA-N 0 0 461.680 4.154 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)c4ccccc4)C3)n2CCOC(C)(C)C)n1 ZINC001492514339 1066355539 /nfs/dbraw/zinc/35/55/39/1066355539.db2.gz QIOMJWAXSNBMKG-OAQYLSRUSA-N 0 0 476.625 4.110 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2Cc2ccccc2Br)n1 ZINC001492514407 1066355687 /nfs/dbraw/zinc/35/56/87/1066355687.db2.gz NJVNJKQNJXANEZ-IBGZPJMESA-N 0 0 497.441 4.200 20 0 JIADRN O=C(CC1(CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CCCC1)N1CCOCC1 ZINC001331151865 1066356187 /nfs/dbraw/zinc/35/61/87/1066356187.db2.gz IPRWORVGZUQIRA-UHFFFAOYSA-N 0 0 488.426 4.015 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCOc2ccc(Cl)cc2)n1 ZINC001492514889 1066357045 /nfs/dbraw/zinc/35/70/45/1066357045.db2.gz WLBWOCHQWQKSEB-FQEVSTJZSA-N 0 0 497.043 4.370 20 0 JIADRN 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DWMGUOGHHRHVMJ-UHFFFAOYSA-N 0 0 473.400 4.380 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001315473088 1064313761 /nfs/dbraw/zinc/31/37/61/1064313761.db2.gz DTPVHZRDSKBQBB-UHFFFAOYSA-N 0 0 455.559 4.325 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001315473205 1064314264 /nfs/dbraw/zinc/31/42/64/1064314264.db2.gz GAHCFFZTHPSJQU-FQEVSTJZSA-N 0 0 493.612 4.027 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccccn3)n2Cc2csc([C@@H](C)OC)n2)cc1F ZINC001315473406 1064314961 /nfs/dbraw/zinc/31/49/61/1064314961.db2.gz HLHGMZSXIQFIAB-OAHLLOKOSA-N 0 0 468.558 4.336 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[C@H]2CCO[C@H](C)C2)cc1O ZINC001315473244 1064315238 /nfs/dbraw/zinc/31/52/38/1064315238.db2.gz HWDJAWTZOVVTJD-MOPGFXCFSA-N 0 0 451.571 4.204 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ccnc(SC)c2)c(OC)c1 ZINC001315473517 1064315756 /nfs/dbraw/zinc/31/57/56/1064315756.db2.gz JTVKYWDOEVSJTH-UHFFFAOYSA-N 0 0 476.606 4.467 20 0 JIADRN 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ORBDFLOGZHYEEC-NDEPHWFRSA-N 0 0 496.700 4.110 20 0 JIADRN O=C(NCC1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H]2CCCCO2)CC1)C(F)(F)F ZINC001316566546 1066587583 /nfs/dbraw/zinc/58/75/83/1066587583.db2.gz YTXBKJFBRKXGGO-QGZVFWFLSA-N 0 0 499.965 4.453 20 0 JIADRN O=C(NCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1)C1CCC1 ZINC001316566538 1066587661 /nfs/dbraw/zinc/58/76/61/1066587661.db2.gz YNMYVDGHOPPCAQ-SFHVURJKSA-N 0 0 467.511 4.093 20 0 JIADRN Cc1cccc(N2CCN(c3nnc(CC(C)C)n3CC(=O)N(C)C3CCCCC3)CC2)c1C ZINC001492536216 1066587635 /nfs/dbraw/zinc/58/76/35/1066587635.db2.gz PVBJLBOPYMUSSU-UHFFFAOYSA-N 0 0 466.674 4.211 20 0 JIADRN Cc1cccc(NC2CCN(c3nnc([C@H]4CCOC4)n3CCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC001492536557 1066587892 /nfs/dbraw/zinc/58/78/92/1066587892.db2.gz BLKNCGXBORGSCF-NRFANRHFSA-N 0 0 498.672 4.476 20 0 JIADRN O=C1CC[C@H](c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCc2nc(C(F)(F)F)cs2)N1 ZINC001316567155 1066587909 /nfs/dbraw/zinc/58/79/09/1066587909.db2.gz HQHMEFOVNOKBRM-GFCCVEGCSA-N 0 0 496.481 4.116 20 0 JIADRN Cc1cccc(N2CCN(c3nnc(CC4CCCC4)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001492536413 1066588118 /nfs/dbraw/zinc/58/81/18/1066588118.db2.gz XIZJQRFUHMIYOO-JGCGQSQUSA-N 0 0 457.688 4.193 20 0 JIADRN O=C1CC[C@H](c2nnc(N(Cc3ccco3)Cc3cccs3)n2CCCC(F)(F)F)N1 ZINC001316567442 1066588158 /nfs/dbraw/zinc/58/81/58/1066588158.db2.gz MDLTVIJCTQMWPA-MRXNPFEDSA-N 0 0 453.490 4.433 20 0 JIADRN O=C1CC[C@H](c2nnc(N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)n2CCCC(F)(F)F)N1 ZINC001316568816 1066588995 /nfs/dbraw/zinc/58/89/95/1066588995.db2.gz NQLUOJATXVQENY-HZPDHXFCSA-N 0 0 491.436 4.168 20 0 JIADRN Cc1nn(-c2ccccc2)c(C)c1COC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC001341770398 1066589249 /nfs/dbraw/zinc/58/92/49/1066589249.db2.gz UVDABMIPRDMPKP-UHFFFAOYSA-N 0 0 460.578 4.496 20 0 JIADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)O[C@@H]3CCCC[C@@H]3C(F)(F)F)cc(C3CC3)nc21 ZINC001341770124 1066589273 /nfs/dbraw/zinc/58/92/73/1066589273.db2.gz CNLOYNXFJZXOPZ-GOEBONIOSA-N 0 0 453.461 4.308 20 0 JIADRN O=C1CCCN1Cc1nnc(N(CCc2ccc(F)cc2)C2CC2)n1CCSC(F)(F)F ZINC001316570158 1066590063 /nfs/dbraw/zinc/59/00/63/1066590063.db2.gz UIXUPRJISIGCPP-UHFFFAOYSA-N 0 0 471.524 4.004 20 0 JIADRN O=C1CN(c2nnc(CC3CCCC3)n2CCCOC(F)(F)F)CCN1Cc1ccc(Cl)cc1 ZINC001316573726 1066592046 /nfs/dbraw/zinc/59/20/46/1066592046.db2.gz FDNIBFIZHDTUAZ-UHFFFAOYSA-N 0 0 499.965 4.440 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)C3CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001492536810 1066592056 /nfs/dbraw/zinc/59/20/56/1066592056.db2.gz IZJGSNSGALUOBC-UHFFFAOYSA-N 0 0 465.545 4.314 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001492537454 1066593431 /nfs/dbraw/zinc/59/34/31/1066593431.db2.gz YSGRARODFFTGEO-QUCCMNQESA-N 0 0 462.660 4.394 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)CC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)c1 ZINC001492537697 1066594912 /nfs/dbraw/zinc/59/49/12/1066594912.db2.gz GOQWUFQMPFUGNW-UHFFFAOYSA-N 0 0 465.598 4.259 20 0 JIADRN OC1(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC001316580595 1066595041 /nfs/dbraw/zinc/59/50/41/1066595041.db2.gz FQUUTNUGKBPGOZ-MRXNPFEDSA-N 0 0 458.912 4.309 20 0 JIADRN OC1(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC001316580592 1066595057 /nfs/dbraw/zinc/59/50/57/1066595057.db2.gz FQUUTNUGKBPGOZ-INIZCTEOSA-N 0 0 458.912 4.309 20 0 JIADRN O=S1(=O)CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 ZINC001316580828 1066595415 /nfs/dbraw/zinc/59/54/15/1066595415.db2.gz IXURVVXFGOLWQF-CQSZACIVSA-N 0 0 479.380 4.455 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC(=O)NC2CCCCC2)c1 ZINC001492537821 1066595549 /nfs/dbraw/zinc/59/55/49/1066595549.db2.gz KZGGMTNSDULQCV-UHFFFAOYSA-N 0 0 483.016 4.299 20 0 JIADRN Cc1noc(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCCCCC1 ZINC001492537890 1066595623 /nfs/dbraw/zinc/59/56/23/1066595623.db2.gz MRKVQUFXLZDNNS-UHFFFAOYSA-N 0 0 480.613 4.199 20 0 JIADRN Cc1nn(-c2ccccc2)c(C)c1COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001342520778 1066596338 /nfs/dbraw/zinc/59/63/38/1066596338.db2.gz ORVZQSXMHOPABW-WIOPSUGQSA-N 0 0 465.550 4.262 20 0 JIADRN COc1cc(OC)c(OC)cc1COC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 ZINC001342538252 1066596928 /nfs/dbraw/zinc/59/69/28/1066596928.db2.gz NXXNPULHCVHPQD-UHFFFAOYSA-N 0 0 474.517 4.384 20 0 JIADRN CCCNC(=O)[C@H](C)NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC001342542316 1066598069 /nfs/dbraw/zinc/59/80/69/1066598069.db2.gz NTEIILBWADBMDI-SFHVURJKSA-N 0 0 468.001 4.308 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2nc(C(C)C)cs2)c1 ZINC001492537919 1066598592 /nfs/dbraw/zinc/59/85/92/1066598592.db2.gz NVCHZDDCFGZATK-UHFFFAOYSA-N 0 0 470.643 4.145 20 0 JIADRN OC1(C(F)(F)F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001316582762 1066599181 /nfs/dbraw/zinc/59/91/81/1066599181.db2.gz VASZDUBHRFDHFC-MRXNPFEDSA-N 0 0 454.468 4.246 20 0 JIADRN OC1(C(F)(F)F)CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001316582716 1066599282 /nfs/dbraw/zinc/59/92/82/1066599282.db2.gz SZJFNYGYUZFSJX-HNNXBMFYSA-N 0 0 478.437 4.073 20 0 JIADRN OC1(C(F)(F)F)CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001316582717 1066599434 /nfs/dbraw/zinc/59/94/34/1066599434.db2.gz SZJFNYGYUZFSJX-OAHLLOKOSA-N 0 0 478.437 4.073 20 0 JIADRN O[C@](Cn1c([C@H]2CCOC2)nnc1N(CCC(F)(F)F)CC1CC1)(c1ccccc1)C(F)(F)F ZINC001316582968 1066599782 /nfs/dbraw/zinc/59/97/82/1066599782.db2.gz RJPZTFTUZLOUJN-OXJNMPFZSA-N 0 0 492.464 4.401 20 0 JIADRN O=S1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001316583067 1066600298 /nfs/dbraw/zinc/60/02/98/1066600298.db2.gz XXCSFOKONLZGAX-GOSISDBHSA-N 0 0 472.533 4.120 20 0 JIADRN O=C(Oc1ccc2c(c1)CCC(=O)N2)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001342620512 1066601415 /nfs/dbraw/zinc/60/14/15/1066601415.db2.gz GHSBHNJFXURYDY-UHFFFAOYSA-N 0 0 476.964 4.161 20 0 JIADRN O[C@@]1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCSC1 ZINC001316583903 1066602265 /nfs/dbraw/zinc/60/22/65/1066602265.db2.gz IOTFAHWUDFJBFD-VQIMIIECSA-N 0 0 476.952 4.014 20 0 JIADRN O[C@@]1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CCSC1 ZINC001316583902 1066602471 /nfs/dbraw/zinc/60/24/71/1066602471.db2.gz IOTFAHWUDFJBFD-QFBILLFUSA-N 0 0 476.952 4.014 20 0 JIADRN OCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2Cl)CC1 ZINC001316584327 1066603704 /nfs/dbraw/zinc/60/37/04/1066603704.db2.gz FHJHVZXDPKVLCG-UHFFFAOYSA-N 0 0 464.795 4.141 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001492538439 1066604418 /nfs/dbraw/zinc/60/44/18/1066604418.db2.gz FCHIFDVCQRGZBG-UHFFFAOYSA-N 0 0 483.498 4.248 20 0 JIADRN CS(=O)(=O)c1cccc([C@H](NC(=O)Nc2cc3c(cc2F)NC(=O)CC3)c2ccccc2)c1 ZINC001343059424 1066605276 /nfs/dbraw/zinc/60/52/76/1066605276.db2.gz MFESQPNRWCCLLM-HSZRJFAPSA-N 0 0 467.522 4.025 20 0 JIADRN OC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001316585171 1066605750 /nfs/dbraw/zinc/60/57/50/1066605750.db2.gz WWFKKBRNMGFGRO-UHFFFAOYSA-N 0 0 461.257 4.070 20 0 JIADRN O[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOCC(F)(F)C(F)F)CC2(CCCC2)C1 ZINC001316585730 1066607713 /nfs/dbraw/zinc/60/77/13/1066607713.db2.gz XCAHDSSNUPZGSC-GOSISDBHSA-N 0 0 488.501 4.056 20 0 JIADRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccc(OC(F)F)cc1 ZINC001343292803 1066608722 /nfs/dbraw/zinc/60/87/22/1066608722.db2.gz OBACQWKKDVNIRQ-OAHLLOKOSA-N 0 0 468.522 4.057 20 0 JIADRN OCCCC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001316586115 1066609216 /nfs/dbraw/zinc/60/92/16/1066609216.db2.gz GCXRFFGBQFFRNP-HKUYNNGSSA-N 0 0 495.437 4.387 20 0 JIADRN Cc1nc(-c2ccc(OC(=O)[C@@H]3Cc4ccccc4CN3S(=O)(=O)c3ccc(C)cc3)cc2)no1 ZINC001343317388 1066609312 /nfs/dbraw/zinc/60/93/12/1066609312.db2.gz PYHZMSKFOHLILO-DEOSSOPVSA-N 0 0 489.553 4.075 20 0 JIADRN C[C@H](NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)CC(=O)N2 ZINC001343318324 1066609439 /nfs/dbraw/zinc/60/94/39/1066609439.db2.gz WOZLLKLAHGCUKX-JTQLQIEISA-N 0 0 458.893 4.401 20 0 JIADRN OCCCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001316586137 1066609310 /nfs/dbraw/zinc/60/93/10/1066609310.db2.gz GQTADHKPNMGSIV-HXUWFJFHSA-N 0 0 482.547 4.302 20 0 JIADRN OCCCC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001316586227 1066609915 /nfs/dbraw/zinc/60/99/15/1066609915.db2.gz KSIBFTLRPHPGPU-HXUWFJFHSA-N 0 0 468.520 4.456 20 0 JIADRN OCCCC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001316586510 1066610404 /nfs/dbraw/zinc/61/04/04/1066610404.db2.gz UYEWXSCMKVOKSF-UHFFFAOYSA-N 0 0 481.563 4.384 20 0 JIADRN OCCCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001316586383 1066610531 /nfs/dbraw/zinc/61/05/31/1066610531.db2.gz QJUABHQYRHYFGX-SFHVURJKSA-N 0 0 485.982 4.472 20 0 JIADRN OCCCC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(F)(F)Br)CC1 ZINC001316586585 1066611132 /nfs/dbraw/zinc/61/11/32/1066611132.db2.gz YEEWGCYWSDQNFS-UHFFFAOYSA-N 0 0 482.373 4.327 20 0 JIADRN OCCCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001316587070 1066611725 /nfs/dbraw/zinc/61/17/25/1066611725.db2.gz GILSQLCKWBWANP-JOCHJYFZSA-N 0 0 455.990 4.048 20 0 JIADRN OCCCC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2=CCCOC2)CC1 ZINC001316587227 1066612502 /nfs/dbraw/zinc/61/25/02/1066612502.db2.gz HWPKJFFMLBBKHC-UHFFFAOYSA-N 0 0 461.404 4.043 20 0 JIADRN OCCCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001316587083 1066612586 /nfs/dbraw/zinc/61/25/86/1066612586.db2.gz GTUPFSWKTFBYPY-PZJWPPBQSA-N 0 0 493.446 4.065 20 0 JIADRN OCC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001316587483 1066613093 /nfs/dbraw/zinc/61/30/93/1066613093.db2.gz KCQISRIFZSVLFK-GOSISDBHSA-N 0 0 452.521 4.421 20 0 JIADRN OCCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001316587767 1066613762 /nfs/dbraw/zinc/61/37/62/1066613762.db2.gz KWWNXRMQBCCHFP-QGZVFWFLSA-N 0 0 481.410 4.262 20 0 JIADRN Cc1cc([C@@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2nccs2)c(C)o1 ZINC001492538757 1066615827 /nfs/dbraw/zinc/61/58/27/1066615827.db2.gz PPGLMLYHDOEVNV-DEOSSOPVSA-N 0 0 467.595 4.376 20 0 JIADRN OCCCCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCSC1)C1CC1 ZINC001316588413 1066615866 /nfs/dbraw/zinc/61/58/66/1066615866.db2.gz KOEUWBACGMRERB-HNNXBMFYSA-N 0 0 451.434 4.202 20 0 JIADRN O=C(Oc1ccc2c(c1)CCC(=O)N2)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001343441689 1066616408 /nfs/dbraw/zinc/61/64/08/1066616408.db2.gz GWKWFNSKJQUCHT-UHFFFAOYSA-N 0 0 453.232 4.313 20 0 JIADRN OCCCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCCO2)CC1 ZINC001316589070 1066617463 /nfs/dbraw/zinc/61/74/63/1066617463.db2.gz ZHVMIZGYJBIVGU-SFHVURJKSA-N 0 0 481.410 4.405 20 0 JIADRN COc1ccc([C@@H]2[C@H](C(=O)O[C@@H](C)c3nc(C)no3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001343507133 1066617950 /nfs/dbraw/zinc/61/79/50/1066617950.db2.gz WUZXXZTXVGCEDH-LZBHBKQYSA-N 0 0 479.533 4.492 20 0 JIADRN OCCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001316589515 1066618794 /nfs/dbraw/zinc/61/87/94/1066618794.db2.gz AIIHANBYIQNBLL-UHFFFAOYSA-N 0 0 499.475 4.098 20 0 JIADRN OCCCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001316590565 1066619315 /nfs/dbraw/zinc/61/93/15/1066619315.db2.gz 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OCCN(Cc1ccc(F)c(Br)c1)c1nnc([C@@H]2CCCOC2)n1CC1CCCC1 ZINC001316592351 1066625087 /nfs/dbraw/zinc/62/50/87/1066625087.db2.gz ZHHZQBGVPMUHER-GOSISDBHSA-N 0 0 481.410 4.263 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)CCn3cccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001492539291 1066625548 /nfs/dbraw/zinc/62/55/48/1066625548.db2.gz ICYYZYGHPBHOKV-ZJSXRUAMSA-N 0 0 466.630 4.340 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)CC3CCOCC3)n2CCOc2ccc(Cl)cn2)c1 ZINC001492539435 1066625647 /nfs/dbraw/zinc/62/56/47/1066625647.db2.gz JRFGICVKFOFYJV-UHFFFAOYSA-N 0 0 471.989 4.156 20 0 JIADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCOC[C@H]2CCOC2)c1 ZINC001492539796 1066626440 /nfs/dbraw/zinc/62/64/40/1066626440.db2.gz JNVKTMRFAAKOGA-FCHUYYIVSA-N 0 0 456.631 4.481 20 0 JIADRN Cc1cccc(C)c1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492480240 1066626533 /nfs/dbraw/zinc/62/65/33/1066626533.db2.gz KAVXIUAKTJFQPC-HHHXNRCGSA-N 0 0 476.625 4.426 20 0 JIADRN CCCCNc1nnc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 ZINC001317644618 1066628827 /nfs/dbraw/zinc/62/88/27/1066628827.db2.gz YIRVUVDZJVHBGJ-HNNXBMFYSA-N 0 0 483.685 4.044 20 0 JIADRN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)OCc2cnc(-c3ccccc3)s2)cc1 ZINC001317689088 1066629604 /nfs/dbraw/zinc/62/96/04/1066629604.db2.gz AZWUJGFDLFHSKA-UHFFFAOYSA-N 0 0 472.588 4.157 20 0 JIADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)O[C@H](C)C(=O)NCc2ccco2)c1 ZINC001317689813 1066630478 /nfs/dbraw/zinc/63/04/78/1066630478.db2.gz HGLCCTNZYZAYMR-GOSISDBHSA-N 0 0 459.502 4.311 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC001317691012 1066631755 /nfs/dbraw/zinc/63/17/55/1066631755.db2.gz LGBHOQFNJKBRJE-UHFFFAOYSA-N 0 0 480.753 4.001 20 0 JIADRN C[C@H](OC(=O)c1ccccc1OCc1ccccc1Br)C(=O)NCc1ccco1 ZINC001317691561 1066631789 /nfs/dbraw/zinc/63/17/89/1066631789.db2.gz FLTPEQFAOLQRLM-HNNXBMFYSA-N 0 0 458.308 4.483 20 0 JIADRN Cc1nn(-c2ccccc2)c(C)c1COC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001344545942 1066632569 /nfs/dbraw/zinc/63/25/69/1066632569.db2.gz 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O=C(OCc1ccccc1N1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001344785900 1066635765 /nfs/dbraw/zinc/63/57/65/1066635765.db2.gz IPJDRPPCCIZFLI-UHFFFAOYSA-N 0 0 462.999 4.472 20 0 JIADRN CCN(CC)S(=O)(=O)c1cccc(-c2nn(CN3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2C)c1 ZINC001317700872 1066636129 /nfs/dbraw/zinc/63/61/29/1066636129.db2.gz WBYJCUOHIQOOSR-AZUAARDMSA-N 0 0 477.700 4.118 20 0 JIADRN O=C(CCn1cnc2sccc2c1=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC001344821545 1066636328 /nfs/dbraw/zinc/63/63/28/1066636328.db2.gz RQAYBDMASAGBRN-QGZVFWFLSA-N 0 0 463.346 4.336 20 0 JIADRN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC001317703480 1066637394 /nfs/dbraw/zinc/63/73/94/1066637394.db2.gz ADAGZMAISIWRAX-SFHVURJKSA-N 0 0 486.977 4.077 20 0 JIADRN Cc1cccc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(Br)cc3Br)cn21 ZINC001317703728 1066637403 /nfs/dbraw/zinc/63/74/03/1066637403.db2.gz IMBDWILFIDEADM-LLVKDONJSA-N 0 0 481.144 4.352 20 0 JIADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1=O 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UXMQEYXOWQUNHM-UHFFFAOYSA-N 0 0 453.010 4.338 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 ZINC001317717598 1066645075 /nfs/dbraw/zinc/64/50/75/1066645075.db2.gz LRZJMKBWIUOFPO-UHFFFAOYSA-N 0 0 467.543 4.050 20 0 JIADRN Cc1cccc(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001492541312 1066644873 /nfs/dbraw/zinc/64/48/73/1066644873.db2.gz HRCKPQYULOLXOT-GBESFXJTSA-N 0 0 451.537 4.284 20 0 JIADRN C/C(=C/C(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC001345704703 1066646823 /nfs/dbraw/zinc/64/68/23/1066646823.db2.gz NSRJLGOCTLAPJN-RAXLEYEMSA-N 0 0 476.373 4.363 20 0 JIADRN COC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(C)cc1 ZINC001317721623 1066647368 /nfs/dbraw/zinc/64/73/68/1066647368.db2.gz MYNJAFPGOLTZBL-VWLOTQADSA-N 0 0 458.558 4.421 20 0 JIADRN O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001345825505 1066647378 /nfs/dbraw/zinc/64/73/78/1066647378.db2.gz VONPGLIHSRSWHS-HXUWFJFHSA-N 0 0 469.328 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488.661 4.285 20 0 JIADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164874362 721244539 /nfs/dbraw/zinc/24/45/39/721244539.db2.gz KSDATDQEFCMKDS-NSHDSACASA-N 0 0 454.934 4.075 20 0 JIADRN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164873429 721250126 /nfs/dbraw/zinc/25/01/26/721250126.db2.gz ILQFGEMVTGWMTB-DBVUQKKJSA-N 0 0 462.884 4.308 20 0 JIADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]21 ZINC001164761893 721252735 /nfs/dbraw/zinc/25/27/35/721252735.db2.gz JWINHQRQYBYBQS-ZYSHUDEJSA-N 0 0 461.896 4.041 20 0 JIADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)O1)c1ccccc1 ZINC001164875057 721254085 /nfs/dbraw/zinc/25/40/85/721254085.db2.gz LPTHLSKIDVAHOU-YWZLYKJASA-N 0 0 471.335 4.276 20 0 JIADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C2)O1)c1ccccc1 ZINC001164874087 721255272 /nfs/dbraw/zinc/25/52/72/721255272.db2.gz ISUBAHXXJXYVFI-QRWLVFNGSA-N 0 0 471.335 4.276 20 0 JIADRN 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CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]21 ZINC001164894169 721465356 /nfs/dbraw/zinc/46/53/56/721465356.db2.gz VVXIJKQITDCPGA-UYAOXDASSA-N 0 0 467.683 4.249 20 0 JIADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164887627 721469891 /nfs/dbraw/zinc/46/98/91/721469891.db2.gz DEKRINASZLJUTL-KRWDZBQOSA-N 0 0 497.937 4.182 20 0 JIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164887625 721470493 /nfs/dbraw/zinc/47/04/93/721470493.db2.gz DDEFJXQTMWEKAH-AWEZNQCLSA-N 0 0 470.307 4.258 20 0 JIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)C1=O ZINC001164891756 721473590 /nfs/dbraw/zinc/47/35/90/721473590.db2.gz DSBSNZJWIYDDAA-UHFFFAOYSA-N 0 0 457.912 4.024 20 0 JIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)C1=O ZINC001164896196 721474070 /nfs/dbraw/zinc/47/40/70/721474070.db2.gz VSGFKLSLKLBIAA-UHFFFAOYSA-N 0 0 477.968 4.172 20 0 JIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc2c(Cl)ncnc2c1 ZINC001164894519 721474365 /nfs/dbraw/zinc/47/43/65/721474365.db2.gz NMVRKGVXWKXPRV-JOCHJYFZSA-N 0 0 457.912 4.385 20 0 JIADRN CCOC[C@H]1CN(c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)Cc2cnn(C)c21 ZINC001164791512 721477627 /nfs/dbraw/zinc/47/76/27/721477627.db2.gz JJUSYABPBDHHBN-IEBWSBKVSA-N 0 0 480.682 4.286 20 0 JIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(-c3ccc(OC)cc3)nnc2Cl)Cc2cnn(C)c21 ZINC001164792121 721478437 /nfs/dbraw/zinc/47/84/37/721478437.db2.gz LSSTWKXRQYEGBN-INIZCTEOSA-N 0 0 463.916 4.224 20 0 JIADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]12)N1CCCO1 ZINC001164793269 721480014 /nfs/dbraw/zinc/48/00/14/721480014.db2.gz UBSVRWJYPCYFES-HKBOAZHASA-N 0 0 477.939 4.342 20 0 JIADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]12)N1CCCO1 ZINC001164791390 721482951 /nfs/dbraw/zinc/48/29/51/721482951.db2.gz IDEUSRXAUHAQHV-NRSPTQNISA-N 0 0 495.929 4.481 20 0 JIADRN O=C(C[C@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2)NCC1CC1 ZINC001164895346 721483922 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COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001315473714 1064316562 /nfs/dbraw/zinc/31/65/62/1064316562.db2.gz BMJGOVZHGVERNM-QGZVFWFLSA-N 0 0 456.616 4.014 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccn3C)n2Cc2csc([C@@H](C)OC)n2)cc1 ZINC001315473629 1064316723 /nfs/dbraw/zinc/31/67/23/1064316723.db2.gz HJQWKRIYCVDLKY-MRXNPFEDSA-N 0 0 452.584 4.141 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCCn2nc(C)cc2C)c(OC)c1 ZINC001315474235 1064318730 /nfs/dbraw/zinc/31/87/30/1064318730.db2.gz OALIHKOPKIWKJF-UHFFFAOYSA-N 0 0 464.570 4.404 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2ccncc2)cc1OC(F)F ZINC001315475168 1064323561 /nfs/dbraw/zinc/32/35/61/1064323561.db2.gz AMAFSVVMVNESRW-FQEVSTJZSA-N 0 0 473.524 4.404 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2nc(C(C)C)cs2)c(OC)c1 ZINC001315475292 1064324069 /nfs/dbraw/zinc/32/40/69/1064324069.db2.gz MAKBNZXSZSPHBR-QGZVFWFLSA-N 0 0 457.600 4.064 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCC[C@@H]2C)cc1F ZINC001315476325 1064327708 /nfs/dbraw/zinc/32/77/08/1064327708.db2.gz WDXISYOZZQBOHG-NPMXOYFQSA-N 0 0 459.953 4.329 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCc2scnc2C)cc1OC(F)F ZINC001315476421 1064328100 /nfs/dbraw/zinc/32/81/00/1064328100.db2.gz RBBHGXDVYXLRHP-MRXNPFEDSA-N 0 0 479.553 4.036 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)cc1C ZINC001315476569 1064328141 /nfs/dbraw/zinc/32/81/41/1064328141.db2.gz AXIDZNJNCLKPAK-IBGZPJMESA-N 0 0 482.654 4.179 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCOc2ncccc2F)cc1OC ZINC001315476972 1064328768 /nfs/dbraw/zinc/32/87/68/1064328768.db2.gz XMGQBTYMHGXYCE-UHFFFAOYSA-N 0 0 457.550 4.133 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccsc2)cc1OC ZINC001315477554 1064331396 /nfs/dbraw/zinc/33/13/96/1064331396.db2.gz NAHBLAYSNCFBJN-RDPSFJRHSA-N 0 0 472.611 4.143 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2Cc2sc(C)nc2C)cc1F ZINC001315479256 1064335684 /nfs/dbraw/zinc/33/56/84/1064335684.db2.gz ASPTZLVSPXSWHR-UHFFFAOYSA-N 0 0 452.559 4.170 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@@H](C)C2)cc1OC(F)F ZINC001315480143 1064338459 /nfs/dbraw/zinc/33/84/59/1064338459.db2.gz ROABZDYGJHGUBX-PXNSSMCTSA-N 0 0 487.551 4.325 20 0 JIADRN COc1ccc(CN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC001315481443 1064342929 /nfs/dbraw/zinc/34/29/29/1064342929.db2.gz HHMGCSBJHHEAQK-FQEVSTJZSA-N 0 0 485.629 4.265 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCCc2cccc(C)n2)cc1OC ZINC001315481540 1064343400 /nfs/dbraw/zinc/34/34/00/1064343400.db2.gz KRCHCYIXXZZNIY-JOCHJYFZSA-N 0 0 451.571 4.119 20 0 JIADRN COc1ccc(CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2nc(C)cs2)C2CC2)cc1 ZINC001315481842 1064343612 /nfs/dbraw/zinc/34/36/12/1064343612.db2.gz RSHPARIXSVLBBT-MRXNPFEDSA-N 0 0 468.627 4.163 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)cc1OC ZINC001315482024 1064344313 /nfs/dbraw/zinc/34/43/13/1064344313.db2.gz VOCKFMCQGBKXDL-BGYRXZFFSA-N 0 0 497.596 4.344 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCSC2)cc1 ZINC001315482099 1064345115 /nfs/dbraw/zinc/34/51/15/1064345115.db2.gz XTZOWESYBTYMQA-AQNXPRMDSA-N 0 0 487.670 4.447 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2csc(C)c2)c(OC)c1 ZINC001315482534 1064345644 /nfs/dbraw/zinc/34/56/44/1064345644.db2.gz CRLJLVUGSVRYMC-UHFFFAOYSA-N 0 0 497.646 4.341 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2CCOCC2)cc1O ZINC001315483127 1064347710 /nfs/dbraw/zinc/34/77/10/1064347710.db2.gz KLUNDEDHQPDDHD-NFBKMPQASA-N 0 0 472.630 4.364 20 0 JIADRN COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001315483478 1064348717 /nfs/dbraw/zinc/34/87/17/1064348717.db2.gz YOTZMMPMGOMZNX-MRXNPFEDSA-N 0 0 465.520 4.216 20 0 JIADRN COc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](CC(C)C)C2)cn1 ZINC001315483946 1064351105 /nfs/dbraw/zinc/35/11/05/1064351105.db2.gz BTAWCANQQITLAH-IBGZPJMESA-N 0 0 483.016 4.186 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(-c3ccc(Br)s3)n2[C@H]2C[C@H]2C)c(OC)c1 ZINC001315483888 1064351278 /nfs/dbraw/zinc/35/12/78/1064351278.db2.gz RADHZDCGJHQCQC-CJNGLKHVSA-N 0 0 493.427 4.366 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccoc2)c(C(F)(F)F)c1 ZINC001315484177 1064351734 /nfs/dbraw/zinc/35/17/34/1064351734.db2.gz GBVRCBBOGCTVLD-UHFFFAOYSA-N 0 0 486.454 4.231 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)c(OC)c1 ZINC001315484897 1064353308 /nfs/dbraw/zinc/35/33/08/1064353308.db2.gz AOZLASBCZQAROG-UHFFFAOYSA-N 0 0 469.630 4.086 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)cc1Cl ZINC001315485244 1064354118 /nfs/dbraw/zinc/35/41/18/1064354118.db2.gz MFXPJSVWZJGHAF-UHFFFAOYSA-N 0 0 466.895 4.483 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N2CCC(CC(=O)NC3CCCC3)CC2)c(C(F)(F)F)c1 ZINC001315485424 1064354734 /nfs/dbraw/zinc/35/47/34/1064354734.db2.gz DANBGYUSEVIGFL-UHFFFAOYSA-N 0 0 479.547 4.328 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1F ZINC001315485690 1064355468 /nfs/dbraw/zinc/35/54/68/1064355468.db2.gz VCGUCMKLJJZCQR-AEFFLSMTSA-N 0 0 461.582 4.337 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(OC)n1 ZINC001315486140 1064356876 /nfs/dbraw/zinc/35/68/76/1064356876.db2.gz CNCQOJUAVHPDQO-YQXIYLPXSA-N 0 0 495.605 4.242 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cscn2)c(OC)c1OC ZINC001315486267 1064357506 /nfs/dbraw/zinc/35/75/06/1064357506.db2.gz DQDQBHRYUFUVCX-UHFFFAOYSA-N 0 0 455.540 4.014 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H]2CCCOC2)cn1 ZINC001315486721 1064359100 /nfs/dbraw/zinc/35/91/00/1064359100.db2.gz IXUBAANOJCHAFX-HNNXBMFYSA-N 0 0 478.416 4.084 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C)[C@H](OC)C2)cn1 ZINC001315486963 1064360076 /nfs/dbraw/zinc/36/00/76/1064360076.db2.gz LFJKSTUUTKHEHP-HNAYVOBHSA-N 0 0 472.387 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)CC(=O)NC(C)C)cc1 ZINC001315487580 1064362153 /nfs/dbraw/zinc/36/21/53/1064362153.db2.gz QNKWEGJZSXVUJG-KRWDZBQOSA-N 0 0 467.639 4.149 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2scnc2C)cc1OC ZINC001315487594 1064362195 /nfs/dbraw/zinc/36/21/95/1064362195.db2.gz AIMBBQSYXWRWHA-UHFFFAOYSA-N 0 0 470.986 4.460 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CC(F)(F)F)cn1 ZINC001315487504 1064362266 /nfs/dbraw/zinc/36/22/66/1064362266.db2.gz OXVGHJJRVJABDQ-UHFFFAOYSA-N 0 0 462.295 4.220 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)c(OC)n1 ZINC001315488189 1064364355 /nfs/dbraw/zinc/36/43/55/1064364355.db2.gz DYZLZWPLABBQED-UHFFFAOYSA-N 0 0 456.959 4.152 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)c(OC)n1 ZINC001315488860 1064367338 /nfs/dbraw/zinc/36/73/38/1064367338.db2.gz KQYDHRXGOXJMQV-FQEVSTJZSA-N 0 0 495.624 4.446 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)c(OC)n1 ZINC001315489309 1064368667 /nfs/dbraw/zinc/36/86/67/1064368667.db2.gz OGVCMQRLBKOEGB-UHFFFAOYSA-N 0 0 498.946 4.108 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1F ZINC001315489295 1064368916 /nfs/dbraw/zinc/36/89/16/1064368916.db2.gz NXCNTBNGWQGWJO-YVEFUNNKSA-N 0 0 485.869 4.346 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCOc2ccc(F)cc2)cn1 ZINC001315489609 1064370310 /nfs/dbraw/zinc/37/03/10/1064370310.db2.gz RBHCHKYEZBWACW-UHFFFAOYSA-N 0 0 482.947 4.490 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)cc1Cl ZINC001315491487 1064376442 /nfs/dbraw/zinc/37/64/42/1064376442.db2.gz IEMJAVANUGTXEK-UHFFFAOYSA-N 0 0 487.004 4.288 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(F)(F)C2)cc1Br ZINC001315491770 1064377222 /nfs/dbraw/zinc/37/72/22/1064377222.db2.gz RJDNQDFIPDJGHB-UHFFFAOYSA-N 0 0 464.314 4.313 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1F ZINC001315492153 1064377905 /nfs/dbraw/zinc/37/79/05/1064377905.db2.gz XRRGOUPXZXKRAO-AUUYWEPGSA-N 0 0 465.451 4.001 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315492970 1064379355 /nfs/dbraw/zinc/37/93/55/1064379355.db2.gz KJAZPTBJUIIMOU-UZLBHIALSA-N 0 0 473.593 4.481 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC001315492999 1064380176 /nfs/dbraw/zinc/38/01/76/1064380176.db2.gz LLEKKAZRGDWXFK-GOSISDBHSA-N 0 0 459.566 4.187 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1O ZINC001315493133 1064380320 /nfs/dbraw/zinc/38/03/20/1064380320.db2.gz QDHLKLBYTDEAGD-UHFFFAOYSA-N 0 0 485.629 4.391 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001315494403 1064383701 /nfs/dbraw/zinc/38/37/01/1064383701.db2.gz KCAQRANLAHIKFV-YLJYHZDGSA-N 0 0 492.020 4.333 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001315494402 1064383858 /nfs/dbraw/zinc/38/38/58/1064383858.db2.gz KCAQRANLAHIKFV-XLIONFOSSA-N 0 0 492.020 4.333 20 0 JIADRN 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20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C ZINC001316283510 1066038692 /nfs/dbraw/zinc/03/86/92/1066038692.db2.gz RLQHUJVMMYDNOY-WCIQWLHISA-N 0 0 479.666 4.178 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCc1ccc(F)cc1Cl ZINC001316283987 1066039856 /nfs/dbraw/zinc/03/98/56/1066039856.db2.gz ZYCYURAQGLUGPZ-MQJTVSLUSA-N 0 0 469.026 4.368 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCCCN(C)c1ccccc1 ZINC001316285347 1066041804 /nfs/dbraw/zinc/04/18/04/1066041804.db2.gz LSCLMMJFPBDVQT-VCHRRKICSA-N 0 0 455.647 4.401 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)C)CC2)n1CCOc1ccc(Cl)cc1 ZINC001316285385 1066041825 /nfs/dbraw/zinc/04/18/25/1066041825.db2.gz ASCVSBRBDMGRSC-AVRDEDQJSA-N 0 0 479.021 4.128 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCCCN(C)c1ccccc1 ZINC001316285345 1066042065 /nfs/dbraw/zinc/04/20/65/1066042065.db2.gz LSCLMMJFPBDVQT-KHUIQGCPSA-N 0 0 455.647 4.401 20 0 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC1(C)CCCC1 ZINC001316290284 1066049129 /nfs/dbraw/zinc/04/91/29/1066049129.db2.gz GCFMGTQEMPJAGL-BZSNNMDCSA-N 0 0 460.541 4.130 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001316290235 1066049209 /nfs/dbraw/zinc/04/92/09/1066049209.db2.gz DVJYNOMCBTUTJI-QRFRQXIXSA-N 0 0 497.562 4.248 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C ZINC001316290442 1066049662 /nfs/dbraw/zinc/04/96/62/1066049662.db2.gz AMXXSGWMEPTEQM-ANULTFPQSA-N 0 0 491.677 4.132 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(Br)C2)n1C[C@H](C)c1ccccc1 ZINC001316290577 1066049683 /nfs/dbraw/zinc/04/96/83/1066049683.db2.gz NFDKLEMJSHUWMH-QRFRQXIXSA-N 0 0 461.404 4.295 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)c1ccc(C)cc1 ZINC001316290636 1066049727 /nfs/dbraw/zinc/04/97/27/1066049727.db2.gz IBJMAMQIWPHGAD-BIHRQFPBSA-N 0 0 497.684 4.245 20 0 JIADRN 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CSCCCCCn1c(N2CCCN(C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001316459271 1066351847 /nfs/dbraw/zinc/35/18/47/1066351847.db2.gz WCTYBAVNWSTOEL-UHFFFAOYSA-N 0 0 455.672 4.340 20 0 JIADRN O=C(COc1ccc(Cl)cc1)NC1CCC2(CC1)NC(=O)c1cc(Br)ccc1N2 ZINC001330651035 1066351807 /nfs/dbraw/zinc/35/18/07/1066351807.db2.gz CNZSDTSBTQMZNU-UHFFFAOYSA-N 0 0 478.774 4.092 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCCS(=O)(=O)c2ccccc2)n1 ZINC001492512743 1066351848 /nfs/dbraw/zinc/35/18/48/1066351848.db2.gz PEWBHPIQITZCSB-OAQYLSRUSA-N 0 0 467.639 4.385 20 0 JIADRN CSCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001316460155 1066354492 /nfs/dbraw/zinc/35/44/92/1066354492.db2.gz CBZAXKOBUOPESA-UHFFFAOYSA-N 0 0 474.993 4.129 20 0 JIADRN CSCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001316460351 1066354803 /nfs/dbraw/zinc/35/48/03/1066354803.db2.gz FGLAQUDGGVGQND-QGZVFWFLSA-N 0 0 461.680 4.154 20 0 JIADRN COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC001331091254 1066355318 /nfs/dbraw/zinc/35/53/18/1066355318.db2.gz JIXBHAHIKBCIDL-SANMLTNESA-N 0 0 458.558 4.454 20 0 JIADRN CSCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001316460558 1066355401 /nfs/dbraw/zinc/35/54/01/1066355401.db2.gz INPRTFADJPGJRA-JTSKRJEESA-N 0 0 451.036 4.050 20 0 JIADRN CSCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001316460972 1066356365 /nfs/dbraw/zinc/35/63/65/1066356365.db2.gz GFMLOMUGXVBFKE-QGZVFWFLSA-N 0 0 468.714 4.042 20 0 JIADRN CSCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1ccco1 ZINC001316461504 1066357048 /nfs/dbraw/zinc/35/70/48/1066357048.db2.gz KPKMSFFRIARFJI-MRXNPFEDSA-N 0 0 452.584 4.126 20 0 JIADRN CSCCCCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001316461735 1066357938 /nfs/dbraw/zinc/35/79/38/1066357938.db2.gz UASJIKDAAIZLJW-UHFFFAOYSA-N 0 0 474.675 4.238 20 0 JIADRN CSCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001316461652 1066358061 /nfs/dbraw/zinc/35/80/61/1066358061.db2.gz DJHOVPOWZHEYLZ-SFHVURJKSA-N 0 0 453.653 4.156 20 0 JIADRN CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001316461612 1066358146 /nfs/dbraw/zinc/35/81/46/1066358146.db2.gz CLJMQGFWZUXBAH-ROUUACIJSA-N 0 0 484.453 4.257 20 0 JIADRN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@@H](C(=O)NC4CC4)C3)nc21 ZINC001331335872 1066358583 /nfs/dbraw/zinc/35/85/83/1066358583.db2.gz VITDCTFWBLOJRJ-HXUWFJFHSA-N 0 0 462.619 4.129 20 0 JIADRN CSCCCCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001316462391 1066359237 /nfs/dbraw/zinc/35/92/37/1066359237.db2.gz YDBWAZMZKRMOJW-UHFFFAOYSA-N 0 0 499.084 4.413 20 0 JIADRN CSCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001316462744 1066360110 /nfs/dbraw/zinc/36/01/10/1066360110.db2.gz MHJSSJBWWRVSGK-GOSISDBHSA-N 0 0 462.689 4.001 20 0 JIADRN CSCCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001316463401 1066361256 /nfs/dbraw/zinc/36/12/56/1066361256.db2.gz NKIZETRQIDYIHO-IBGZPJMESA-N 0 0 463.673 4.077 20 0 JIADRN COc1cccc(N2CCC(NC(=O)N3CCC(c4c(OC)cc(OC)cc4OC)CC3)CC2)c1 ZINC001331696116 1066361579 /nfs/dbraw/zinc/36/15/79/1066361579.db2.gz DNIOBCBEWIMDBF-UHFFFAOYSA-N 0 0 483.609 4.279 20 0 JIADRN CSCCCCn1c([C@H]2CCOC2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001316464085 1066362597 /nfs/dbraw/zinc/36/25/97/1066362597.db2.gz RVOFAKAXWNVATH-INIZCTEOSA-N 0 0 451.434 4.250 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N1CCOCC1 ZINC001316464473 1066363197 /nfs/dbraw/zinc/36/31/97/1066363197.db2.gz BFKSOUZEQLTOTC-QZTJIDSGSA-N 0 0 463.717 4.041 20 0 JIADRN CSCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(F)CCC1 ZINC001316464525 1066363284 /nfs/dbraw/zinc/36/32/84/1066363284.db2.gz CSODHMSGGMUMSM-UHFFFAOYSA-N 0 0 468.668 4.018 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCCO[C@@H](C)c2ccccc2)n1 ZINC001492516062 1066364082 /nfs/dbraw/zinc/36/40/82/1066364082.db2.gz JTRGJGVFLCTUAC-GMAHTHKFSA-N 0 0 497.665 4.220 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001316465165 1066364963 /nfs/dbraw/zinc/36/49/63/1066364963.db2.gz FYOSWQPNUWQVEN-GOSISDBHSA-N 0 0 494.503 4.464 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(O)CCC1 ZINC001316465147 1066365020 /nfs/dbraw/zinc/36/50/20/1066365020.db2.gz FLJIVNWNXRUAGB-UHFFFAOYSA-N 0 0 459.841 4.465 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001316465602 1066366374 /nfs/dbraw/zinc/36/63/74/1066366374.db2.gz LIRUJCPDBZGDJB-UHFFFAOYSA-N 0 0 486.955 4.104 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)OCO2 ZINC001316465534 1066366602 /nfs/dbraw/zinc/36/66/02/1066366602.db2.gz NYVNWDIWBTWKOT-UHFFFAOYSA-N 0 0 478.416 4.012 20 0 JIADRN CSCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001316465793 1066367081 /nfs/dbraw/zinc/36/70/81/1066367081.db2.gz KKHYUEXKNYECRP-WOJBJXKFSA-N 0 0 459.685 4.269 20 0 JIADRN Cc1c(Cc2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)nnn1-c1ccc(C)cc1 ZINC001332017622 1066367421 /nfs/dbraw/zinc/36/74/21/1066367421.db2.gz COSREMSJQKDRBJ-QFIPXVFZSA-N 0 0 460.538 4.472 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1nccnc1C ZINC001316466067 1066368322 /nfs/dbraw/zinc/36/83/22/1066368322.db2.gz PJHNNSYOTIEENS-UHFFFAOYSA-N 0 0 461.433 4.238 20 0 JIADRN CN(Cc1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)C(=O)OCc1ccccc1 ZINC001332020110 1066368406 /nfs/dbraw/zinc/36/84/06/1066368406.db2.gz SJINCWOYOBJDEF-HXUWFJFHSA-N 0 0 452.511 4.452 20 0 JIADRN CC(=O)N1CCc2ccccc2[C@@H]1Cc1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001332042619 1066369548 /nfs/dbraw/zinc/36/95/48/1066369548.db2.gz DQXYKCBLLTYHDK-GMAHTHKFSA-N 0 0 462.550 4.372 20 0 JIADRN COc1ccc(S(=O)(=O)CCc2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1 ZINC001332043474 1066369941 /nfs/dbraw/zinc/36/99/41/1066369941.db2.gz IILHDBJUVZUJTO-UHFFFAOYSA-N 0 0 474.542 4.160 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)C(C)C ZINC001316466921 1066370709 /nfs/dbraw/zinc/37/07/09/1066370709.db2.gz XDHDSNRRTRDYFL-LJQANCHMSA-N 0 0 459.429 4.443 20 0 JIADRN CSCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001316467421 1066371399 /nfs/dbraw/zinc/37/13/99/1066371399.db2.gz UZISKJJREAWSMK-UHFFFAOYSA-N 0 0 469.659 4.034 20 0 JIADRN CSCCCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001316467688 1066371994 /nfs/dbraw/zinc/37/19/94/1066371994.db2.gz AJABTMCCHDGUHK-XMMPIXPASA-N 0 0 485.057 4.267 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CC=CCC2)n1 ZINC001492517310 1066372414 /nfs/dbraw/zinc/37/24/14/1066372414.db2.gz NWCXEAQVPMJNNC-PMACEKPBSA-N 0 0 452.603 4.450 20 0 JIADRN CSCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001316468724 1066373571 /nfs/dbraw/zinc/37/35/71/1066373571.db2.gz QJFYTFGKTYLMGA-HXUWFJFHSA-N 0 0 499.603 4.254 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1cccs1 ZINC001316469102 1066374017 /nfs/dbraw/zinc/37/40/17/1066374017.db2.gz NGHRCKLEQBOEHY-UHFFFAOYSA-N 0 0 450.033 4.279 20 0 JIADRN CSCCCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCS1(=O)=O ZINC001316469560 1066374560 /nfs/dbraw/zinc/37/45/60/1066374560.db2.gz ICLNVPRNRGJARA-IBGZPJMESA-N 0 0 468.714 4.035 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCCCC1 ZINC001316469411 1066374704 /nfs/dbraw/zinc/37/47/04/1066374704.db2.gz QXRQHPWQYBRPBO-UHFFFAOYSA-N 0 0 480.476 4.300 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4)C(=O)C3)n2CC(C)(C)C(C)C)n1 ZINC001492517929 1066374826 /nfs/dbraw/zinc/37/48/26/1066374826.db2.gz KYQMNDNGQNUDFZ-UHFFFAOYSA-N 0 0 450.562 4.323 20 0 JIADRN Cc1cc(S(C)(=O)=O)cc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1C ZINC001332499683 1066375791 /nfs/dbraw/zinc/37/57/91/1066375791.db2.gz DXWJJDKOJGTERS-IBGZPJMESA-N 0 0 457.552 4.371 20 0 JIADRN CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCSC ZINC001316470251 1066375903 /nfs/dbraw/zinc/37/59/03/1066375903.db2.gz ASWILNCCAANFAZ-QGZVFWFLSA-N 0 0 457.710 4.335 20 0 JIADRN CSCCCN(C)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001316470829 1066377065 /nfs/dbraw/zinc/37/70/65/1066377065.db2.gz NSYHVWDOWFZCOR-SLFFLAALSA-N 0 0 479.691 4.149 20 0 JIADRN CSCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001316471202 1066377526 /nfs/dbraw/zinc/37/75/26/1066377526.db2.gz DFJWENXYMIAWDQ-UHFFFAOYSA-N 0 0 459.616 4.170 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(Cc4cccs4)CC3)n2CCCOCC(C)C)n1 ZINC001492518453 1066377917 /nfs/dbraw/zinc/37/79/17/1066377917.db2.gz GKAPBLATEBSEFN-UHFFFAOYSA-N 0 0 454.644 4.095 20 0 JIADRN CSCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001316471397 1066378047 /nfs/dbraw/zinc/37/80/47/1066378047.db2.gz CYDIWTPMOQWGGT-HXUWFJFHSA-N 0 0 497.669 4.377 20 0 JIADRN CSCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001316471534 1066378913 /nfs/dbraw/zinc/37/89/13/1066378913.db2.gz CGOAIOSOIGHHCV-INIZCTEOSA-N 0 0 480.457 4.495 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCc2ccc(Cl)cc2)n1 ZINC001492518579 1066379248 /nfs/dbraw/zinc/37/92/48/1066379248.db2.gz JYUXDUTUNRYIDQ-IBGZPJMESA-N 0 0 467.017 4.238 20 0 JIADRN Cc1ccsc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001492518678 1066379852 /nfs/dbraw/zinc/37/98/52/1066379852.db2.gz MYPIMJVDDPFIJP-MRXNPFEDSA-N 0 0 450.534 4.140 20 0 JIADRN CSCCCn1c(-c2ccccc2Br)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001316473526 1066381236 /nfs/dbraw/zinc/38/12/36/1066381236.db2.gz IEXNRGIFFPCFGL-CALCHBBNSA-N 0 0 482.492 4.006 20 0 JIADRN CSCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001316474282 1066381590 /nfs/dbraw/zinc/38/15/90/1066381590.db2.gz DFMGEDFJCZRKDN-UHFFFAOYSA-N 0 0 465.671 4.421 20 0 JIADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(C)o1 ZINC001492519260 1066382077 /nfs/dbraw/zinc/38/20/77/1066382077.db2.gz HUNYPOHTDCATIN-OFVILXPXSA-N 0 0 453.587 4.017 20 0 JIADRN CSCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001316474409 1066383174 /nfs/dbraw/zinc/38/31/74/1066383174.db2.gz MAYDMWIRFYJCGE-IEGUWTFLSA-N 0 0 464.607 4.085 20 0 JIADRN Cc1cccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)n1 ZINC001492519999 1066383828 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1066446137 /nfs/dbraw/zinc/44/61/37/1066446137.db2.gz VXIZJHMGESBBRS-DYESRHJHSA-N 0 0 499.015 4.485 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccs2)C[C@H](C)C1(F)F ZINC001316496784 1066446798 /nfs/dbraw/zinc/44/67/98/1066446798.db2.gz LWESWUKFYJNWSN-PHIMTYICSA-N 0 0 457.348 4.268 20 0 JIADRN Cc1cccc(CCn2c(C3CCC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492530287 1066447042 /nfs/dbraw/zinc/44/70/42/1066447042.db2.gz SKCILRXIRMJSRE-ICSRJNTNSA-N 0 0 454.619 4.231 20 0 JIADRN C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC001316497027 1066447616 /nfs/dbraw/zinc/44/76/16/1066447616.db2.gz OCSCOMNYEXJHFY-QGZVFWFLSA-N 0 0 475.037 4.186 20 0 JIADRN C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC1)NC(=O)OC(C)(C)C ZINC001316497036 1066447687 /nfs/dbraw/zinc/44/76/87/1066447687.db2.gz VFNIAHUAVZTOGG-OAHLLOKOSA-N 0 0 494.434 4.379 20 0 JIADRN C[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001316497630 1066450131 /nfs/dbraw/zinc/45/01/31/1066450131.db2.gz ISBHCJFVGNJLAG-MDZRGWNJSA-N 0 0 456.566 4.058 20 0 JIADRN Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nccs3)CC2)n1 ZINC001492531047 1066450255 /nfs/dbraw/zinc/45/02/55/1066450255.db2.gz QIIPNBLHOQBYKJ-LJQANCHMSA-N 0 0 453.660 4.153 20 0 JIADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001316497626 1066450347 /nfs/dbraw/zinc/45/03/47/1066450347.db2.gz IQEWTCIXOYVRMJ-WIYYLYMNSA-N 0 0 461.651 4.177 20 0 JIADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOC(C)(C)C)NC(=O)OC(C)(C)C ZINC001316497709 1066451223 /nfs/dbraw/zinc/45/12/23/1066451223.db2.gz SYTSJWTZIPECBZ-OAHLLOKOSA-N 0 0 467.014 4.158 20 0 JIADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)NC(=O)OC(C)(C)C ZINC001316498311 1066452777 /nfs/dbraw/zinc/45/27/77/1066452777.db2.gz NUJCKOXVAGJMDO-OXQOHEQNSA-N 0 0 476.021 4.375 20 0 JIADRN C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001336972843 1066452800 /nfs/dbraw/zinc/45/28/00/1066452800.db2.gz 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4.079 20 0 JIADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 ZINC001337165175 1066462136 /nfs/dbraw/zinc/46/21/36/1066462136.db2.gz QIOLJGXQPONDFO-UTKZUKDTSA-N 0 0 469.383 4.299 20 0 JIADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)c12 ZINC001337196459 1066464635 /nfs/dbraw/zinc/46/46/35/1066464635.db2.gz FWJWHNQITPWUTN-HNNXBMFYSA-N 0 0 492.557 4.351 20 0 JIADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C(C)(C)C)nn3C)c2)cc1 ZINC001337190588 1066464685 /nfs/dbraw/zinc/46/46/85/1066464685.db2.gz WVIWATHTYOTRLZ-UHFFFAOYSA-N 0 0 456.568 4.169 20 0 JIADRN NC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001337191558 1066464894 /nfs/dbraw/zinc/46/48/94/1066464894.db2.gz UBRYBFWGLKCZRH-LBPRGKRZSA-N 0 0 454.741 4.237 20 0 JIADRN C[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(C)(F)F)CCN1C(=O)OC(C)(C)C ZINC001316502464 1066464937 /nfs/dbraw/zinc/46/49/37/1066464937.db2.gz ZCTZKMGPEDGXKP-QFBILLFUSA-N 0 0 493.555 4.282 20 0 JIADRN C[C@@H](OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)C(=O)NC1CCC(C)CC1 ZINC001337197323 1066465765 /nfs/dbraw/zinc/46/57/65/1066465765.db2.gz NQOUEFSJPQJJEP-ISXOHVOVSA-N 0 0 456.543 4.375 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3F)n2C[C@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC001316502646 1066466335 /nfs/dbraw/zinc/46/63/35/1066466335.db2.gz BKNCVPIFIWXPMA-CEXWTWQISA-N 0 0 465.564 4.455 20 0 JIADRN CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2cccc3ccccc32)cc1 ZINC001337208992 1066466713 /nfs/dbraw/zinc/46/67/13/1066466713.db2.gz MFFKOPPYLVPOSR-QHCPKHFHSA-N 0 0 466.603 4.309 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H](C)O1 ZINC001316502859 1066467107 /nfs/dbraw/zinc/46/71/07/1066467107.db2.gz JUYIQYWEHSOJFM-IIZPIQPGSA-N 0 0 494.606 4.178 20 0 JIADRN CCOC(=O)[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001337242025 1066467864 /nfs/dbraw/zinc/46/78/64/1066467864.db2.gz GZEGOYWHMJXWJH-XMZCSZCVSA-N 0 0 490.329 4.418 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC001316503331 1066468210 /nfs/dbraw/zinc/46/82/10/1066468210.db2.gz KCKNQQNZDCUFDB-IYBDPMFKSA-N 0 0 493.414 4.380 20 0 JIADRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC(C)(C)c2c1cccc2Cl ZINC001337244240 1066468835 /nfs/dbraw/zinc/46/88/35/1066468835.db2.gz IPCCKRIZBJQQHN-UHFFFAOYSA-N 0 0 487.025 4.047 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503432 1066469599 /nfs/dbraw/zinc/46/95/99/1066469599.db2.gz OVKIYXADVBQHPQ-KOUHRCEDSA-N 0 0 480.579 4.103 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2F)C[C@H](C)O1 ZINC001316503614 1066470565 /nfs/dbraw/zinc/47/05/65/1066470565.db2.gz AYEOCMKQVBXNDH-AMBYYYRHSA-N 0 0 491.583 4.183 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001316504468 1066475934 /nfs/dbraw/zinc/47/59/34/1066475934.db2.gz YUOBFXZFZCWKKR-BVFVYWQFSA-N 0 0 490.092 4.475 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001316504824 1066476462 /nfs/dbraw/zinc/47/64/62/1066476462.db2.gz RSFNCXNGDFKFNJ-VUDASAJCSA-N 0 0 476.021 4.364 20 0 JIADRN CN(Cc1cccc(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1)C(=O)C(F)(F)F ZINC001337376089 1066477615 /nfs/dbraw/zinc/47/76/15/1066477615.db2.gz DQKLGVIIYJOXIT-UHFFFAOYSA-N 0 0 458.362 4.487 20 0 JIADRN C[C@H]1CCc2nc(NC(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)sc2C1 ZINC001337389130 1066478733 /nfs/dbraw/zinc/47/87/33/1066478733.db2.gz WGGONKLBSMTCLX-LBPRGKRZSA-N 0 0 489.450 4.113 20 0 JIADRN O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1ccccc1N1CCCC1=O ZINC001337407522 1066479581 /nfs/dbraw/zinc/47/95/81/1066479581.db2.gz NPFIDEUASBZUKA-UHFFFAOYSA-N 0 0 469.950 4.310 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Br)cc2)n1CCCOC(F)F ZINC001316505420 1066479543 /nfs/dbraw/zinc/47/95/43/1066479543.db2.gz QCGGTHJSVKSXLW-ZDUSSCGKSA-N 0 0 459.335 4.341 20 0 JIADRN 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ZINC001316509466 1066491450 /nfs/dbraw/zinc/49/14/50/1066491450.db2.gz CUHXSHQRYAYLGC-AWEZNQCLSA-N 0 0 460.298 4.160 20 0 JIADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCN1c2ccccc2CC[C@@H]1C ZINC001337543496 1066492400 /nfs/dbraw/zinc/49/24/00/1066492400.db2.gz CIQQFMUEPUAKCK-UWJYYQICSA-N 0 0 460.043 4.149 20 0 JIADRN FC(F)(F)CC1CCN(c2nnc(-c3ccccn3)n2CCCOC2CCOCC2)CC1 ZINC001316509839 1066492353 /nfs/dbraw/zinc/49/23/53/1066492353.db2.gz CFQWQSGGFQWESZ-UHFFFAOYSA-N 0 0 453.509 4.095 20 0 JIADRN FC(F)(F)c1ccnc(CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001316509975 1066492441 /nfs/dbraw/zinc/49/24/41/1066492441.db2.gz AVBYARAMDXXIKS-OAHLLOKOSA-N 0 0 485.436 4.094 20 0 JIADRN FC(F)(F)c1ccnc(CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001316509974 1066492526 /nfs/dbraw/zinc/49/25/26/1066492526.db2.gz AVBYARAMDXXIKS-HNNXBMFYSA-N 0 0 485.436 4.094 20 0 JIADRN FC(F)(F)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001316509804 1066492542 /nfs/dbraw/zinc/49/25/42/1066492542.db2.gz 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ZINC001337765831 1066509211 /nfs/dbraw/zinc/50/92/11/1066509211.db2.gz OGPTYIAGJWPDHH-UHFFFAOYSA-N 0 0 489.459 4.234 20 0 JIADRN FC(F)(F)CO[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CC=CCO2)C1 ZINC001316515488 1066510073 /nfs/dbraw/zinc/51/00/73/1066510073.db2.gz UETVRFYGMRIOBB-NHCUHLMSSA-N 0 0 464.532 4.346 20 0 JIADRN FC(F)(F)CO[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCn2cc(Cl)cn2)C1 ZINC001316515567 1066510774 /nfs/dbraw/zinc/51/07/74/1066510774.db2.gz VDJZHECWKGIKRY-MRXNPFEDSA-N 0 0 474.940 4.028 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 ZINC001337782738 1066511089 /nfs/dbraw/zinc/51/10/89/1066511089.db2.gz YJRRTRISVILAIH-UHFFFAOYSA-N 0 0 484.622 4.384 20 0 JIADRN FC(F)[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1)N1CCOCC1 ZINC001316516349 1066513496 /nfs/dbraw/zinc/51/34/96/1066513496.db2.gz CHOAHMYRTHUWKJ-SFHVURJKSA-N 0 0 489.945 4.114 20 0 JIADRN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc21 ZINC001337836190 1066513972 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Fc1ccc([C@H]2CN(c3nnc(Cc4ccccn4)n3CCCOC(F)F)CCO2)cc1Cl ZINC001316522500 1066529993 /nfs/dbraw/zinc/52/99/93/1066529993.db2.gz BQUPYAPHRFOAPK-LJQANCHMSA-N 0 0 481.906 4.264 20 0 JIADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)Nc1cccc(-n2cnnc2)c1 ZINC001338102234 1066530502 /nfs/dbraw/zinc/53/05/02/1066530502.db2.gz HZZRJZSOMUYVFI-UHFFFAOYSA-N 0 0 476.334 4.463 20 0 JIADRN Fc1ccc(CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)C2CC2)cc1 ZINC001316522790 1066530632 /nfs/dbraw/zinc/53/06/32/1066530632.db2.gz HEFCKRABNQTPHY-CQSZACIVSA-N 0 0 459.310 4.120 20 0 JIADRN Fc1ccc(Cc2nnc(N3CCC=C(Br)C3)n2CCCOC2CCOCC2)cc1 ZINC001316522687 1066530670 /nfs/dbraw/zinc/53/06/70/1066530670.db2.gz GHFIKIJHVQNBDE-UHFFFAOYSA-N 0 0 479.394 4.083 20 0 JIADRN Fc1ccc(CCn2c(-c3cnccn3)nnc2N2CC=C(C(F)(F)F)CC2)c(F)c1F ZINC001316522960 1066531201 /nfs/dbraw/zinc/53/12/01/1066531201.db2.gz LECVSMJDEAIGSM-UHFFFAOYSA-N 0 0 454.378 4.094 20 0 JIADRN COc1ccc(C[C@@H](C)N(C)C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001338116274 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YPJSZTRSFLZATE-QGZVFWFLSA-N 0 0 464.010 4.463 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC=CCC2)c(OC)n1 ZINC001315486340 1064357656 /nfs/dbraw/zinc/35/76/56/1064357656.db2.gz GTHDJUATUQZRPE-UHFFFAOYSA-N 0 0 470.371 4.243 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CCCOC2)cn1 ZINC001315486722 1064359236 /nfs/dbraw/zinc/35/92/36/1064359236.db2.gz IXUBAANOJCHAFX-OAHLLOKOSA-N 0 0 478.416 4.084 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2scnc2C)cn1 ZINC001315487492 1064361992 /nfs/dbraw/zinc/36/19/92/1064361992.db2.gz KUUHJSGGYSJNNP-UHFFFAOYSA-N 0 0 472.521 4.400 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC001315488243 1064364791 /nfs/dbraw/zinc/36/47/91/1064364791.db2.gz HGAHKRAGEJFKQI-PMACEKPBSA-N 0 0 465.598 4.436 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1O ZINC001315488498 1064365034 /nfs/dbraw/zinc/36/50/34/1064365034.db2.gz UIVZJFZIOFDCEO-UHFFFAOYSA-N 0 0 489.420 4.367 20 0 JIADRN COc1ccc(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC[C@H]2C(C)C)c(OC)n1 ZINC001315488710 1064366557 /nfs/dbraw/zinc/36/65/57/1064366557.db2.gz XUXQPXBKWFHLCJ-IBGZPJMESA-N 0 0 497.596 4.056 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)CC2)cc1 ZINC001315489322 1064368716 /nfs/dbraw/zinc/36/87/16/1064368716.db2.gz XGHVNSNYMNWFGG-UHFFFAOYSA-N 0 0 452.303 4.328 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)cn1 ZINC001315489753 1064371004 /nfs/dbraw/zinc/37/10/04/1064371004.db2.gz SKVXAUQRWITVGX-KRWDZBQOSA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](C(C)(C)C)C2)cn1 ZINC001315489741 1064371128 /nfs/dbraw/zinc/37/11/28/1064371128.db2.gz RZHBCBFNDSGZAI-IBGZPJMESA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1F ZINC001315489839 1064371168 /nfs/dbraw/zinc/37/11/68/1064371168.db2.gz AHGIIWVZSROCGJ-UHFFFAOYSA-N 0 0 496.587 4.277 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)cn1 ZINC001315490502 1064373465 /nfs/dbraw/zinc/37/34/65/1064373465.db2.gz SYIBINWLCHKDIT-PKOBYXMFSA-N 0 0 471.989 4.386 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c(F)c1 ZINC001315491165 1064374767 /nfs/dbraw/zinc/37/47/67/1064374767.db2.gz HHQGWCYDUATNNR-SFHVURJKSA-N 0 0 465.451 4.084 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001315492044 1064377238 /nfs/dbraw/zinc/37/72/38/1064377238.db2.gz NRFVFGZZBZPZOA-IBGZPJMESA-N 0 0 466.586 4.166 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C(C)(C)C)C2)c(OC)n1 ZINC001315492370 1064378629 /nfs/dbraw/zinc/37/86/29/1064378629.db2.gz ZUGPJKYWFIKMQV-GOSISDBHSA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)cc1Cl ZINC001315492775 1064379327 /nfs/dbraw/zinc/37/93/27/1064379327.db2.gz CIMYBRBZAOFGPM-CQSZACIVSA-N 0 0 457.928 4.329 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001315492876 1064379466 /nfs/dbraw/zinc/37/94/66/1064379466.db2.gz HHPAAHZMPOWHSD-HXUWFJFHSA-N 0 0 485.629 4.495 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc1OC(F)F ZINC001315493034 1064380328 /nfs/dbraw/zinc/38/03/28/1064380328.db2.gz MUFDLBWKZXHRIH-AWEZNQCLSA-N 0 0 489.489 4.277 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1OC(F)F ZINC001315494067 1064382570 /nfs/dbraw/zinc/38/25/70/1064382570.db2.gz GBKFFMLSYDCELU-QGZVFWFLSA-N 0 0 476.446 4.362 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)c(OC)c1OC ZINC001315494708 1064384795 /nfs/dbraw/zinc/38/47/95/1064384795.db2.gz OHFXYVBNJLAMPY-SFHVURJKSA-N 0 0 484.519 4.373 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccoc2)cc1Br ZINC001315495153 1064386247 /nfs/dbraw/zinc/38/62/47/1064386247.db2.gz RGNIHZWPDIBKDN-QGZVFWFLSA-N 0 0 461.360 4.221 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](C)C(C)(C)C2)c(OC)c1OC ZINC001315495746 1064387650 /nfs/dbraw/zinc/38/76/50/1064387650.db2.gz XRXCGNNTFXSVEM-FXAWDEMLSA-N 0 0 458.603 4.466 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)cn1 ZINC001315495636 1064387666 /nfs/dbraw/zinc/38/76/66/1064387666.db2.gz JIOUJEINTNOSAH-HKUYNNGSSA-N 0 0 490.377 4.143 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1Br ZINC001315495919 1064388586 /nfs/dbraw/zinc/38/85/86/1064388586.db2.gz KUXVPNYUZQQYQY-YQQAZPJKSA-N 0 0 481.460 4.322 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)C2CCCCC2)c(OC)c1OC ZINC001315496658 1064389360 /nfs/dbraw/zinc/38/93/60/1064389360.db2.gz SBRJXTFLLPMJLT-PXNSSMCTSA-N 0 0 458.603 4.261 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC001315497642 1064391092 /nfs/dbraw/zinc/39/10/92/1064391092.db2.gz MZEDVHFUYILPJM-QMHKHESXSA-N 0 0 482.547 4.327 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3nnc(C)o3)C2)c(C(F)(F)F)c1 ZINC001315497796 1064391774 /nfs/dbraw/zinc/39/17/74/1064391774.db2.gz CEZKWDRUSHWVFU-GOSISDBHSA-N 0 0 494.518 4.212 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)cc1Br ZINC001315497995 1064392824 /nfs/dbraw/zinc/39/28/24/1064392824.db2.gz KWOPKJJKDJGDKO-CYBMUJFWSA-N 0 0 488.352 4.048 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccco2)c(C(F)(F)F)c1 ZINC001315498580 1064393640 /nfs/dbraw/zinc/39/36/40/1064393640.db2.gz VDJOVAFOBGBMNG-GDBMZVCRSA-N 0 0 498.527 4.046 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccco2)c(C(F)(F)F)c1 ZINC001315498582 1064394516 /nfs/dbraw/zinc/39/45/16/1064394516.db2.gz VDJOVAFOBGBMNG-HOCLYGCPSA-N 0 0 498.527 4.046 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H]2[C@H]2CCCO2)cc1Br ZINC001315499532 1064397221 /nfs/dbraw/zinc/39/72/21/1064397221.db2.gz BJCLKFLVYHQKBM-AZUAARDMSA-N 0 0 463.420 4.444 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)CCCSC)cc1Br ZINC001315499635 1064397760 /nfs/dbraw/zinc/39/77/60/1064397760.db2.gz QBJHBLHWDRYZTH-UHFFFAOYSA-N 0 0 476.444 4.273 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001315499760 1064398949 /nfs/dbraw/zinc/39/89/49/1064398949.db2.gz QWMUAEKGCUFJLW-OAQYLSRUSA-N 0 0 492.624 4.062 20 0 JIADRN COc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)cn1 ZINC001315500061 1064399235 /nfs/dbraw/zinc/39/92/35/1064399235.db2.gz VGDXNJGEAXSGTA-UHFFFAOYSA-N 0 0 454.987 4.376 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)c2nccs2)c(OC)c1 ZINC001315501718 1064403556 /nfs/dbraw/zinc/40/35/56/1064403556.db2.gz VZMDWKCZNYJPPQ-KRWDZBQOSA-N 0 0 464.595 4.026 20 0 JIADRN COc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCC(Cl)=C(Cl)C2)c(OC)n1 ZINC001315501776 1064403612 /nfs/dbraw/zinc/40/36/12/1064403612.db2.gz AYJBWNADBJZFBE-UHFFFAOYSA-N 0 0 490.391 4.259 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cnc(C)s2)cc1Cl ZINC001315501652 1064403753 /nfs/dbraw/zinc/40/37/53/1064403753.db2.gz TUALJDKRSDLLKY-UHFFFAOYSA-N 0 0 454.987 4.376 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001315501580 1064403778 /nfs/dbraw/zinc/40/37/78/1064403778.db2.gz XRDJRIQKARKUGB-FQEVSTJZSA-N 0 0 472.634 4.012 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c(OC)c1 ZINC001315503120 1064407233 /nfs/dbraw/zinc/40/72/33/1064407233.db2.gz JYDSPWNYJDZDBP-INIZCTEOSA-N 0 0 495.571 4.069 20 0 JIADRN COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)cc1F ZINC001315503620 1064409871 /nfs/dbraw/zinc/40/98/71/1064409871.db2.gz HPRQLKMLWIXPPP-SJLPKXTDSA-N 0 0 471.602 4.481 20 0 JIADRN COc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[C@H](C)[C@@H]2C)c(OC)n1 ZINC001315503602 1064409923 /nfs/dbraw/zinc/40/99/23/1064409923.db2.gz GRPXWHYIRUMRET-HKUYNNGSSA-N 0 0 451.571 4.169 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1O ZINC001315504076 1064412981 /nfs/dbraw/zinc/41/29/81/1064412981.db2.gz XCUMASQXJUCBHI-MRXNPFEDSA-N 0 0 452.502 4.472 20 0 JIADRN COc1ccc(CN2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)CC2)cc1F ZINC001315504848 1064416622 /nfs/dbraw/zinc/41/66/22/1064416622.db2.gz KSLBDRCAPVATBK-DEOSSOPVSA-N 0 0 496.631 4.180 20 0 JIADRN COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CCCC2)c(F)c1 ZINC001315505035 1064417208 /nfs/dbraw/zinc/41/72/08/1064417208.db2.gz UIMYDVWQNWJPPI-UHFFFAOYSA-N 0 0 457.575 4.092 20 0 JIADRN COc1ccc(Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C(C)(C)C)C2)cn1 ZINC001315505162 1064418019 /nfs/dbraw/zinc/41/80/19/1064418019.db2.gz HEMHFSBWYKWNDQ-IBGZPJMESA-N 0 0 451.571 4.190 20 0 JIADRN COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC=C(C)CC2)cc1OC(F)F ZINC001315505800 1064421221 /nfs/dbraw/zinc/42/12/21/1064421221.db2.gz ZPUNNWIAUACVBO-UHFFFAOYSA-N 0 0 489.548 4.084 20 0 JIADRN COc1ccc(Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)cc1OC(F)F ZINC001315505860 1064421288 /nfs/dbraw/zinc/42/12/88/1064421288.db2.gz DZKCELYAULVAQJ-UHFFFAOYSA-N 0 0 492.596 4.325 20 0 JIADRN COc1ccc(Cn2c(N3CCN([C@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001315506712 1064423708 /nfs/dbraw/zinc/42/37/08/1064423708.db2.gz CWDXLXHSEQCDFD-QGZVFWFLSA-N 0 0 485.608 4.161 20 0 JIADRN COc1ccc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)c(OC)n1 ZINC001315507142 1064426693 /nfs/dbraw/zinc/42/66/93/1064426693.db2.gz WGEJNCWVYBRWEL-KDOFPFPSSA-N 0 0 477.993 4.479 20 0 JIADRN COc1ccc(Cn2c(N3CCC(CC(F)(F)F)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1O ZINC001315507062 1064426887 /nfs/dbraw/zinc/42/68/87/1064426887.db2.gz IBUYEAKILJODMW-HSZRJFAPSA-N 0 0 498.546 4.250 20 0 JIADRN COc1ccc(Cn2c(CSc3ccccc3OC)nnc2N2CC(C)(C)OC[C@@H]2C)cn1 ZINC001315507150 1064426917 /nfs/dbraw/zinc/42/69/17/1064426917.db2.gz WNLKZFVDGHOEOR-KRWDZBQOSA-N 0 0 469.611 4.035 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(C)s2)c(OC)c1OC ZINC001315507244 1064427662 /nfs/dbraw/zinc/42/76/62/1064427662.db2.gz NFIBDBUKPHBWIO-LJQANCHMSA-N 0 0 458.584 4.210 20 0 JIADRN COc1ccc(Cn2c(N3CCc4c(ccnc4N(C)C)C3)nnc2C(C)(C)C)cc1OC(F)F ZINC001315508044 1064430911 /nfs/dbraw/zinc/43/09/11/1064430911.db2.gz PVBNCLSDBMIUJQ-UHFFFAOYSA-N 0 0 486.567 4.258 20 0 JIADRN COc1ccc(Cn2c(N3CC[C@@H]4OCCC[C@@H]4C3)nnc2C(C)(C)C)cc1OC(F)F ZINC001315508061 1064430957 /nfs/dbraw/zinc/43/09/57/1064430957.db2.gz QBBKTBQDKYVKKD-SJORKVTESA-N 0 0 450.530 4.239 20 0 JIADRN COc1ccc(Cn2c(N3CCC(Cn4cc(C)cn4)CC3)nnc2C(C)(C)C)cc1OC ZINC001315508339 1064432524 /nfs/dbraw/zinc/43/25/24/1064432524.db2.gz WEGVMBPEQLYFCO-UHFFFAOYSA-N 0 0 452.603 4.063 20 0 JIADRN COc1ccc(COCCCn2c([C@@H]3CCCCO3)nnc2N2CCOC(C)(C)[C@@H]2C)cc1 ZINC001315509279 1064435863 /nfs/dbraw/zinc/43/58/63/1064435863.db2.gz XSNRGVPSYWAWLO-UGKGYDQZSA-N 0 0 458.603 4.139 20 0 JIADRN COc1ccc(COCCCn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)cc1 ZINC001315509285 1064435990 /nfs/dbraw/zinc/43/59/90/1064435990.db2.gz XTYYFXNJUFGCCK-FQEVSTJZSA-N 0 0 468.602 4.267 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C 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459.472 4.112 20 0 JIADRN COCC1=CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001315867475 1065285833 /nfs/dbraw/zinc/28/58/33/1065285833.db2.gz AGKCANQLCZTURJ-IBGZPJMESA-N 0 0 468.627 4.155 20 0 JIADRN COCc1nc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)cs1 ZINC001315868273 1065286906 /nfs/dbraw/zinc/28/69/06/1065286906.db2.gz FBGXJLOWTCAQMT-INIZCTEOSA-N 0 0 471.627 4.486 20 0 JIADRN COCc1nc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H]2C(C)C)cs1 ZINC001315868987 1065288948 /nfs/dbraw/zinc/28/89/48/1065288948.db2.gz SBRCVMGSCYOWNF-IBGZPJMESA-N 0 0 457.600 4.238 20 0 JIADRN COCC1=CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315869746 1065292475 /nfs/dbraw/zinc/29/24/75/1065292475.db2.gz UONLYDGGXVGIBP-IUTQVRIDSA-N 0 0 454.615 4.460 20 0 JIADRN COCC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCCC2)CC1 ZINC001315869794 1065293097 /nfs/dbraw/zinc/29/30/97/1065293097.db2.gz WKIPWBJWILIMAA-NRFANRHFSA-N 0 0 489.661 4.218 20 0 JIADRN COCC1=CCN(c2nnc(COc3cc(C)ccc3C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001315869956 1065293679 /nfs/dbraw/zinc/29/36/79/1065293679.db2.gz XONLQLSMPQXVLF-SFTDATJTSA-N 0 0 454.615 4.460 20 0 JIADRN COCC1=CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2ccnc2C)CC1 ZINC001315870110 1065294407 /nfs/dbraw/zinc/29/44/07/1065294407.db2.gz ZRTJYTHLQNNZAT-UHFFFAOYSA-N 0 0 452.628 4.257 20 0 JIADRN COCc1nc(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C(F)(F)F)C2)cs1 ZINC001315870193 1065294514 /nfs/dbraw/zinc/29/45/14/1065294514.db2.gz DAIWBVHTUPEBCF-HNNXBMFYSA-N 0 0 473.908 4.017 20 0 JIADRN COCc1nc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCC2CCOCC2)cs1 ZINC001315870823 1065295783 /nfs/dbraw/zinc/29/57/83/1065295783.db2.gz RGSSCZHWXJGTNL-UHFFFAOYSA-N 0 0 498.653 4.051 20 0 JIADRN COCc1nc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(F)cc3F)C2)cs1 ZINC001315871263 1065296346 /nfs/dbraw/zinc/29/63/46/1065296346.db2.gz GMIWZSWWZXLBQG-IBGZPJMESA-N 0 0 477.581 4.374 20 0 JIADRN COCc1nc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CCOc2ccc(Cl)cc2)cs1 ZINC001315871569 1065297443 /nfs/dbraw/zinc/29/74/43/1065297443.db2.gz TZNWIAKLNUUAMY-IBGZPJMESA-N 0 0 478.018 4.340 20 0 JIADRN COCC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001315871748 1065297975 /nfs/dbraw/zinc/29/79/75/1065297975.db2.gz ZEDCSVFIJLPNFK-CVDCTZTESA-N 0 0 497.640 4.235 20 0 JIADRN COCc1nc(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)cs1 ZINC001315872488 1065299341 /nfs/dbraw/zinc/29/93/41/1065299341.db2.gz ARUDLRGCVKHMJM-DLBZAZTESA-N 0 0 473.668 4.053 20 0 JIADRN COCc1nc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(Br)cs2)cs1 ZINC001315873415 1065301062 /nfs/dbraw/zinc/30/10/62/1065301062.db2.gz VPJRUXFOVMQRLV-CYBMUJFWSA-N 0 0 498.472 4.284 20 0 JIADRN COCc1nc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cs1 ZINC001315873537 1065301569 /nfs/dbraw/zinc/30/15/69/1065301569.db2.gz KDNUQEVSUSVPLS-XMMPIXPASA-N 0 0 489.617 4.289 20 0 JIADRN COCc1nc(Cn2c(CCc3ccccc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cs1 ZINC001315873952 1065302364 /nfs/dbraw/zinc/30/23/64/1065302364.db2.gz LZSFELKSOMVZJA-LJQANCHMSA-N 0 0 495.571 4.262 20 0 JIADRN COCc1nocc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001315875182 1065305626 /nfs/dbraw/zinc/30/56/26/1065305626.db2.gz YIPYCZHKUJLCOE-HNNXBMFYSA-N 0 0 475.391 4.021 20 0 JIADRN COCc1nocc1Cn1c(-c2ccccc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315876480 1065307972 /nfs/dbraw/zinc/30/79/72/1065307972.db2.gz LIKPSXXYOLGIMZ-QUCCMNQESA-N 0 0 496.612 4.257 20 0 JIADRN COC[C@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)c(F)c2F)C1 ZINC001315877359 1065309159 /nfs/dbraw/zinc/30/91/59/1065309159.db2.gz BRVFHKKLLSBNIK-FUHWJXTLSA-N 0 0 452.521 4.085 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001315878046 1065310389 /nfs/dbraw/zinc/31/03/89/1065310389.db2.gz FZZKKONQLQWXTN-GOSISDBHSA-N 0 0 475.515 4.306 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(-c3ccccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001315878293 1065310954 /nfs/dbraw/zinc/31/09/54/1065310954.db2.gz HLPZKTSTWQWKGL-FPOVZHCZSA-N 0 0 472.634 4.142 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001315878997 1065313459 /nfs/dbraw/zinc/31/34/59/1065313459.db2.gz BOTIQEQUFSFIDI-UXHICEINSA-N 0 0 483.554 4.145 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)C1 ZINC001315879096 1065313675 /nfs/dbraw/zinc/31/36/75/1065313675.db2.gz AFRSZEIFPRMXFB-IBVKSMDESA-N 0 0 497.665 4.369 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(Br)n2)C1 ZINC001315879817 1065315179 /nfs/dbraw/zinc/31/51/79/1065315179.db2.gz KESWRKSIGSYZDQ-QGZVFWFLSA-N 0 0 471.403 4.107 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccn(C)n2)C1 ZINC001315880735 1065317936 /nfs/dbraw/zinc/31/79/36/1065317936.db2.gz LSKKJRXPBSOGQT-INIZCTEOSA-N 0 0 463.413 4.481 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccc(C)cc2)C1 ZINC001315881798 1065321124 /nfs/dbraw/zinc/32/11/24/1065321124.db2.gz GYFYZYAXGKXPSY-QFIPXVFZSA-N 0 0 494.665 4.420 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(-c3cnccn3)n2Cc2c(C)sc(C)c2Br)C1 ZINC001315881648 1065321191 /nfs/dbraw/zinc/32/11/91/1065321191.db2.gz QPIFZUHUUNCDMW-INIZCTEOSA-N 0 0 491.459 4.477 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001315882247 1065322236 /nfs/dbraw/zinc/32/22/36/1065322236.db2.gz RRSGWRUPYATGAY-MRXNPFEDSA-N 0 0 480.560 4.349 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001315882465 1065322896 /nfs/dbraw/zinc/32/28/96/1065322896.db2.gz SQTCOIHDJHIDDT-UQBPGWFLSA-N 0 0 456.562 4.455 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCS(C)(=O)=O)C1 ZINC001315882893 1065324054 /nfs/dbraw/zinc/32/40/54/1065324054.db2.gz GRCAEZWWZSWICL-OAHLLOKOSA-N 0 0 483.059 4.111 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cc(C)no2)C1 ZINC001315882904 1065324102 /nfs/dbraw/zinc/32/41/02/1065324102.db2.gz QZAROYAUJLBOQG-MRXNPFEDSA-N 0 0 490.402 4.314 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCS(C)(=O)=O)C1 ZINC001315882890 1065324109 /nfs/dbraw/zinc/32/41/09/1065324109.db2.gz GRCAEZWWZSWICL-HNNXBMFYSA-N 0 0 483.059 4.111 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001315883070 1065324894 /nfs/dbraw/zinc/32/48/94/1065324894.db2.gz HGFXOQQPKGEGBN-HXUWFJFHSA-N 0 0 460.022 4.110 20 0 JIADRN COC[C@H]1CCCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(C)noc2C)C1 ZINC001315883444 1065325357 /nfs/dbraw/zinc/32/53/57/1065325357.db2.gz JOBWGFYBDWEXFP-MOPGFXCFSA-N 0 0 457.550 4.463 20 0 JIADRN COC[C@@H]1CCCCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001315884458 1065329009 /nfs/dbraw/zinc/32/90/09/1065329009.db2.gz LLRHZWNJJXAALU-OAQYLSRUSA-N 0 0 465.598 4.437 20 0 JIADRN COC[C@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001315884424 1065329148 /nfs/dbraw/zinc/32/91/48/1065329148.db2.gz LIOGAENKWSSYTB-SFHVURJKSA-N 0 0 481.062 4.209 20 0 JIADRN COC[C@H]1CCCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCNC(=O)C(C)C)C1 ZINC001315884518 1065329762 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JIADRN CCc1ccc(-c2ccc(C(=O)Nc3sc(C(N)=O)c(C)c3C(=O)OCCOC)o2)cc1 ZINC001351338078 1067079592 /nfs/dbraw/zinc/07/95/92/1067079592.db2.gz BXORCLVXNDXHCN-UHFFFAOYSA-N 0 0 456.520 4.033 20 0 JIADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC001351339645 1067079875 /nfs/dbraw/zinc/07/98/75/1067079875.db2.gz DAQLHFIIYCWOTR-UHFFFAOYSA-N 0 0 455.486 4.417 20 0 JIADRN O=C(Nc1cc(Br)ccc1I)c1cc(C(F)F)ncn1 ZINC001351340947 1067080234 /nfs/dbraw/zinc/08/02/34/1067080234.db2.gz MYIWXNDVBVLPDQ-UHFFFAOYSA-N 0 0 454.012 4.034 20 0 JIADRN CSc1cc(N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)nc(SC)n1 ZINC001472834912 1067080425 /nfs/dbraw/zinc/08/04/25/1067080425.db2.gz RWSHISIDLKRDBR-NEPJUHHUSA-N 0 0 452.568 4.450 20 0 JIADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC001351346451 1067080552 /nfs/dbraw/zinc/08/05/52/1067080552.db2.gz BJUWOZCEVMBJCH-IRLDBZIGSA-N 0 0 458.580 4.011 20 0 JIADRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001351348173 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OBWHJNWASAAUIN-CMDGGOBGSA-N 0 0 456.280 4.498 20 0 JIADRN Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(SCc4csc(C)n4)cc3)CC2)no1 ZINC001319939615 1067081833 /nfs/dbraw/zinc/08/18/33/1067081833.db2.gz FTIPWWDWDKIWRW-UHFFFAOYSA-N 0 0 456.593 4.075 20 0 JIADRN CS/C=C\C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1 ZINC001351350716 1067081925 /nfs/dbraw/zinc/08/19/25/1067081925.db2.gz OBWHJNWASAAUIN-HJWRWDBZSA-N 0 0 456.280 4.498 20 0 JIADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC001319939629 1067082026 /nfs/dbraw/zinc/08/20/26/1067082026.db2.gz GHZNTPZQIBNGTC-UHFFFAOYSA-N 0 0 479.602 4.100 20 0 JIADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)CCc3scnc3C)cc2)c1C(F)(F)F ZINC001351349718 1067082241 /nfs/dbraw/zinc/08/22/41/1067082241.db2.gz ZVOPOGRKXMGETJ-UHFFFAOYSA-N 0 0 452.458 4.404 20 0 JIADRN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c(F)cc1Br ZINC001351355632 1067083384 /nfs/dbraw/zinc/08/33/84/1067083384.db2.gz WDESFNBAFYFCEU-SFHVURJKSA-N 0 0 459.718 4.184 20 0 JIADRN CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1Cl ZINC001354766639 1067083551 /nfs/dbraw/zinc/08/35/51/1067083551.db2.gz WKNZLVSDUMQDGP-UHFFFAOYSA-N 0 0 456.905 4.436 20 0 JIADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)C2 ZINC001351360514 1067084133 /nfs/dbraw/zinc/08/41/33/1067084133.db2.gz YONAAONDOOMLGX-QFIPXVFZSA-N 0 0 454.324 4.113 20 0 JIADRN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001351360544 1067084239 /nfs/dbraw/zinc/08/42/39/1067084239.db2.gz ZTTRKUYJVYUNRQ-UHFFFAOYSA-N 0 0 458.266 4.410 20 0 JIADRN CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)C[C@]3(C)CCS(=O)(=O)N3)nc21 ZINC001351365767 1067084691 /nfs/dbraw/zinc/08/46/91/1067084691.db2.gz MNTLOPRRMGBJKW-QHCPKHFHSA-N 0 0 457.621 4.425 20 0 JIADRN CCCN(C(=O)c1c(I)cnn1C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001354767690 1067084637 /nfs/dbraw/zinc/08/46/37/1067084637.db2.gz PMFNLHVMZLTSRR-JKSUJKDBSA-N 0 0 459.372 4.005 20 0 JIADRN COc1ncccc1Cn1c(N(C)Cc2ccccc2SC)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300711010 1067084749 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489.391 4.455 20 0 JIADRN Cc1ccccc1C1(CNC(=O)c2ccc(I)cc2F)CCOCC1 ZINC001351379639 1067086334 /nfs/dbraw/zinc/08/63/34/1067086334.db2.gz NSUKIIMQTIZVSB-UHFFFAOYSA-N 0 0 453.295 4.217 20 0 JIADRN CCc1ccc([C@@H](NC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c2cccc(F)c2)cc1 ZINC001320103472 1067086548 /nfs/dbraw/zinc/08/65/48/1067086548.db2.gz YPGGVEFZFBVZSN-WNCULLNHSA-N 0 0 491.563 4.101 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492487883 1067086558 /nfs/dbraw/zinc/08/65/58/1067086558.db2.gz VVBVSZYWKCVTQC-IBGZPJMESA-N 0 0 470.618 4.103 20 0 JIADRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(N2CCOC2=O)cc1 ZINC001320179074 1067086825 /nfs/dbraw/zinc/08/68/25/1067086825.db2.gz LCFSWBAGCSIAHT-GFCCVEGCSA-N 0 0 453.720 4.315 20 0 JIADRN CC(C)NC(=S)Nc1ncnc2c1ncn2C[C@@H](C)OC[P@@]1(=O)OCC[C@](C)(C(C)C)CO1 ZINC001200777368 1067086973 /nfs/dbraw/zinc/08/69/73/1067086973.db2.gz OMLLYEMCUAXVDE-GUFKBQLVSA-N 0 0 498.590 4.176 20 0 JIADRN COc1ncccc1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001300712856 1067087580 /nfs/dbraw/zinc/08/75/80/1067087580.db2.gz WVVUODNZSUKVGE-FQEVSTJZSA-N 0 0 476.625 4.119 20 0 JIADRN COC1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ncc(C)s3)CC2)CC1 ZINC001300712970 1067087760 /nfs/dbraw/zinc/08/77/60/1067087760.db2.gz CUNBWEHCYNQHCE-UHFFFAOYSA-N 0 0 474.675 4.161 20 0 JIADRN COC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c(C)c1 ZINC001320275583 1067088336 /nfs/dbraw/zinc/08/83/36/1067088336.db2.gz OHDFOQKGTJMJCM-UHFFFAOYSA-N 0 0 487.556 4.351 20 0 JIADRN COC1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001300713894 1067089426 /nfs/dbraw/zinc/08/94/26/1067089426.db2.gz PKZKCRSFBFVUGC-UHFFFAOYSA-N 0 0 458.628 4.100 20 0 JIADRN COC1CCC(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001300713899 1067089445 /nfs/dbraw/zinc/08/94/45/1067089445.db2.gz PNQXZLZHKUFANO-SVCPCHAPSA-N 0 0 490.048 4.369 20 0 JIADRN O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H](c1ccc(Br)cc1)N1CCCC1 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CS(=O)(=O)Nc1ccccc1CNC(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001323248965 1067316863 /nfs/dbraw/zinc/31/68/63/1067316863.db2.gz KXRCVGLJEZSIFR-UHFFFAOYSA-N 0 0 450.004 4.413 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001352249146 1067317111 /nfs/dbraw/zinc/31/71/11/1067317111.db2.gz QUQQJTPBYYVDQZ-QVKFZJNVSA-N 0 0 450.341 4.001 20 0 JIADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001352248947 1067317212 /nfs/dbraw/zinc/31/72/12/1067317212.db2.gz IUDWWZYKJGYCRH-QFIPXVFZSA-N 0 0 455.986 4.410 20 0 JIADRN CCc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cnn1-c1ccccc1Cl ZINC001352251050 1067317490 /nfs/dbraw/zinc/31/74/90/1067317490.db2.gz SJNYQABTLSTOPO-NRFANRHFSA-N 0 0 450.970 4.052 20 0 JIADRN CCc1ccc([C@H](NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(F)c2)cc1 ZINC001323296783 1067317628 /nfs/dbraw/zinc/31/76/28/1067317628.db2.gz JBRUHKVCTKCBAX-DEOSSOPVSA-N 0 0 469.582 4.227 20 0 JIADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 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HFQLQTBSBMUGAJ-UHFFFAOYSA-N 0 0 497.568 4.098 20 0 JIADRN CCOC(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC001352300592 1067327862 /nfs/dbraw/zinc/32/78/62/1067327862.db2.gz SLDRXNMUDVZPAV-UHFFFAOYSA-N 0 0 459.340 4.117 20 0 JIADRN O=C(CC1CCOCC1)N[C@H](c1ccc(F)cc1)c1ccccc1I ZINC001352300436 1067328138 /nfs/dbraw/zinc/32/81/38/1067328138.db2.gz PTFLUOGGNUTHIZ-HXUWFJFHSA-N 0 0 453.295 4.453 20 0 JIADRN Cc1ccc(-c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n[nH]2)s1 ZINC000500855383 1067328497 /nfs/dbraw/zinc/32/84/97/1067328497.db2.gz ANTCIYBHICECHO-UHFFFAOYSA-N 0 0 458.609 4.103 20 0 JIADRN Cn1ncc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1I ZINC001352310441 1067329791 /nfs/dbraw/zinc/32/97/91/1067329791.db2.gz VKFIORIZBDORAF-UHFFFAOYSA-N 0 0 451.695 4.275 20 0 JIADRN C[C@@H](OC(=O)c1nn(-c2ccccc2F)cc1Br)C(=O)NCCC1=CCCCC1 ZINC001323975254 1067330571 /nfs/dbraw/zinc/33/05/71/1067330571.db2.gz ZIBGMLDUHHUEKK-CQSZACIVSA-N 0 0 464.335 4.326 20 0 JIADRN 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CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001317827687 1066712392 /nfs/dbraw/zinc/71/23/92/1066712392.db2.gz MSXBOQYLZBYKAB-CQSZACIVSA-N 0 0 485.338 4.197 20 0 JIADRN CC(C)(C)c1ccc(C2(C(=O)OCC(=O)NCC(=O)Nc3ccccc3Br)CC2)cc1 ZINC001317827073 1066712414 /nfs/dbraw/zinc/71/24/14/1066712414.db2.gz LVWWJCMXJVKHDV-UHFFFAOYSA-N 0 0 487.394 4.076 20 0 JIADRN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001317828222 1066712987 /nfs/dbraw/zinc/71/29/87/1066712987.db2.gz UUTUELRWGQPHQK-HNNXBMFYSA-N 0 0 482.993 4.223 20 0 JIADRN CCc1c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)nnn1Cc1ccccc1 ZINC001348038040 1066715642 /nfs/dbraw/zinc/71/56/42/1066715642.db2.gz YFYICPODEYHYCM-UHFFFAOYSA-N 0 0 454.556 4.424 20 0 JIADRN Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1S(=O)(=O)N1CCCCCC1 ZINC001348055322 1066716947 /nfs/dbraw/zinc/71/69/47/1066716947.db2.gz DDADQCUTOXQVGZ-UHFFFAOYSA-N 0 0 455.580 4.042 20 0 JIADRN 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Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001317838288 1066722963 /nfs/dbraw/zinc/72/29/63/1066722963.db2.gz KHSYKTRGQCHWIV-IBGZPJMESA-N 0 0 481.622 4.457 20 0 JIADRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc(Br)cc2)o1 ZINC001348138770 1066723175 /nfs/dbraw/zinc/72/31/75/1066723175.db2.gz DEEQJBIFOSAZNM-OAHLLOKOSA-N 0 0 466.332 4.332 20 0 JIADRN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC001348165713 1066725310 /nfs/dbraw/zinc/72/53/10/1066725310.db2.gz YKARQLXWMWQUNB-YBEGLDIGSA-N 0 0 452.866 4.408 20 0 JIADRN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3ccccc3=O)o1)C[C@H](CC)CC2 ZINC001348207326 1066727416 /nfs/dbraw/zinc/72/74/16/1066727416.db2.gz WONXGPANZSAMSH-OAHLLOKOSA-N 0 0 454.548 4.495 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@@H](OC(=O)c2cc(C)cnc2F)c2ccccc2)cc1 ZINC001348210742 1066728034 /nfs/dbraw/zinc/72/80/34/1066728034.db2.gz KANZVSWMMGGXDA-XMSQKQJNSA-N 0 0 456.539 4.445 20 0 JIADRN Cc1ccccc1CN(C)C(=O)COC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317845622 1066728255 /nfs/dbraw/zinc/72/82/55/1066728255.db2.gz CJLHZFCUOBXXIX-UHFFFAOYSA-N 0 0 454.530 4.422 20 0 JIADRN CCC(=O)c1ccc(OC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)cc1 ZINC001348232050 1066728676 /nfs/dbraw/zinc/72/86/76/1066728676.db2.gz IVTGUBNIUKJNPQ-HXUWFJFHSA-N 0 0 457.324 4.176 20 0 JIADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc12 ZINC001348241047 1066729541 /nfs/dbraw/zinc/72/95/41/1066729541.db2.gz DFTMVJYWPFVRAB-ZDUSSCGKSA-N 0 0 482.389 4.165 20 0 JIADRN O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)NCCOc1ccc(Cl)cc1 ZINC001317847021 1066729926 /nfs/dbraw/zinc/72/99/26/1066729926.db2.gz XHJCHIBNUYJFJI-UHFFFAOYSA-N 0 0 465.358 4.393 20 0 JIADRN Cc1cc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)ccc1N1CCCC1=O ZINC001317847098 1066730092 /nfs/dbraw/zinc/73/00/92/1066730092.db2.gz YHOWERJFDYJALA-HTAPYJJXSA-N 0 0 488.991 4.498 20 0 JIADRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2C)cc1 ZINC001348258632 1066731376 /nfs/dbraw/zinc/73/13/76/1066731376.db2.gz KHACKPMRCJPWBF-GOSISDBHSA-N 0 0 454.548 4.353 20 0 JIADRN CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC001317850323 1066731839 /nfs/dbraw/zinc/73/18/39/1066731839.db2.gz FOWSEIVUUGUVGW-UHFFFAOYSA-N 0 0 476.352 4.142 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCOC2)c1 ZINC001492545218 1066731919 /nfs/dbraw/zinc/73/19/19/1066731919.db2.gz IIKAUKCQQDOOIE-SFTDATJTSA-N 0 0 485.629 4.086 20 0 JIADRN Cc1cc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)ccc1N1CCCC1=O ZINC001317851234 1066732888 /nfs/dbraw/zinc/73/28/88/1066732888.db2.gz PGVRPCHVBMJGOM-UHFFFAOYSA-N 0 0 459.344 4.035 20 0 JIADRN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(F)c(F)cc1Br ZINC001348273284 1066733040 /nfs/dbraw/zinc/73/30/40/1066733040.db2.gz VXXOVBSZAPURNX-UHFFFAOYSA-N 0 0 458.284 4.128 20 0 JIADRN CCc1sc(C(=O)N(CCOC)Cc2nnc(-c3cccs3)o2)cc1Br ZINC001348271290 1066733052 /nfs/dbraw/zinc/73/30/52/1066733052.db2.gz NJYZLARAXNVHSB-UHFFFAOYSA-N 0 0 456.387 4.473 20 0 JIADRN Cc1ccc([C@H](CNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)N2CCOCC2)o1 ZINC001317851602 1066733591 /nfs/dbraw/zinc/73/35/91/1066733591.db2.gz BRQKTAYGOQZXGZ-QFIPXVFZSA-N 0 0 466.557 4.120 20 0 JIADRN CCc1ccc(-c2nc(CSCCC(=O)N3CCN(c4ncccn4)CC3)cs2)cc1 ZINC001317853280 1066733980 /nfs/dbraw/zinc/73/39/80/1066733980.db2.gz ZNJJWIHMHBMPFW-UHFFFAOYSA-N 0 0 453.637 4.135 20 0 JIADRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001317853541 1066734129 /nfs/dbraw/zinc/73/41/29/1066734129.db2.gz VNZYGBDODKLXGU-GGAORHGYSA-N 0 0 494.542 4.331 20 0 JIADRN CCCNC(=O)c1cccc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1 ZINC001317854479 1066734523 /nfs/dbraw/zinc/73/45/23/1066734523.db2.gz YYETZQODPPJSFD-UHFFFAOYSA-N 0 0 453.546 4.368 20 0 JIADRN CCNC(=O)COc1ccc(CNC(=O)Nc2ccc(SC(F)(F)F)cc2)cc1OC ZINC001317855151 1066734706 /nfs/dbraw/zinc/73/47/06/1066734706.db2.gz INFDIWGKHLATTK-UHFFFAOYSA-N 0 0 457.474 4.144 20 0 JIADRN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001317855324 1066735206 /nfs/dbraw/zinc/73/52/06/1066735206.db2.gz IOFMYSBJDYEDMN-UHFFFAOYSA-N 0 0 453.558 4.122 20 0 JIADRN Cc1csc([C@H]2CCCN(c3nnc(COc4cccc(C)c4)n3CCC(C)(C)O)C2)n1 ZINC001492545479 1066735843 /nfs/dbraw/zinc/73/58/43/1066735843.db2.gz MDSDVRMLUNOIMU-IBGZPJMESA-N 0 0 455.628 4.475 20 0 JIADRN C[C@@H]1CCc2nc(NC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)sc2C1 ZINC001317857133 1066735859 /nfs/dbraw/zinc/73/58/59/1066735859.db2.gz VHTOQSGCTGRGAI-CYBMUJFWSA-N 0 0 452.502 4.277 20 0 JIADRN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C(C)(C)C)nn4C)CC3)cs2)cc1 ZINC001317857210 1066735967 /nfs/dbraw/zinc/73/59/67/1066735967.db2.gz XSTRFNCFQPIPLN-UHFFFAOYSA-N 0 0 468.627 4.199 20 0 JIADRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001317857901 1066736443 /nfs/dbraw/zinc/73/64/43/1066736443.db2.gz FBKPSDNETRFOKD-INIZCTEOSA-N 0 0 485.993 4.304 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cnc([C@H]4CCCO4)s3)cc2)cc1 ZINC001348347440 1066738002 /nfs/dbraw/zinc/73/80/02/1066738002.db2.gz RPANLTHCXRKIBM-LJQANCHMSA-N 0 0 458.561 4.347 20 0 JIADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(O[C@H]4CC4(F)F)cc3)C2=O)cc1 ZINC001348348151 1066738193 /nfs/dbraw/zinc/73/81/93/1066738193.db2.gz YCLKELHWSKGAMH-GQEMFKIVSA-N 0 0 458.486 4.248 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)ccc2Br)c1 ZINC001348354117 1066738842 /nfs/dbraw/zinc/73/88/42/1066738842.db2.gz GFXIYGPHOFVTIJ-UHFFFAOYSA-N 0 0 455.374 4.049 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC001317862604 1066739762 /nfs/dbraw/zinc/73/97/62/1066739762.db2.gz ADWQVDHFNAZHLZ-UHFFFAOYSA-N 0 0 463.563 4.493 20 0 JIADRN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cs1 ZINC001317866215 1066741266 /nfs/dbraw/zinc/74/12/66/1066741266.db2.gz FQCJCGIWSDNUNR-UHFFFAOYSA-N 0 0 457.577 4.007 20 0 JIADRN CCc1ccc([C@@H](NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c2cccc(F)c2)cc1 ZINC001317866250 1066741280 /nfs/dbraw/zinc/74/12/80/1066741280.db2.gz QYENOJJGWATOPV-FTJBHMTQSA-N 0 0 474.580 4.031 20 0 JIADRN CCOC(=O)CSc1nnc(NC(=O)c2cc3ccc(Br)cc3s2)s1 ZINC001348399800 1066742603 /nfs/dbraw/zinc/74/26/03/1066742603.db2.gz RVFBVMGBYNENOQ-UHFFFAOYSA-N 0 0 458.384 4.423 20 0 JIADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 ZINC001348418532 1066743378 /nfs/dbraw/zinc/74/33/78/1066743378.db2.gz ZIXAEWNHXUMWJA-UHFFFAOYSA-N 0 0 457.577 4.133 20 0 JIADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)Nc1ccc(-n2cncn2)cc1 ZINC001317867865 1066743652 /nfs/dbraw/zinc/74/36/52/1066743652.db2.gz HPGPCRKSOKIFAA-UHFFFAOYSA-N 0 0 476.334 4.463 20 0 JIADRN CCOc1ccc(OC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC001317868504 1066744150 /nfs/dbraw/zinc/74/41/50/1066744150.db2.gz DIHSPMSUMSJNMS-LJQANCHMSA-N 0 0 491.540 4.248 20 0 JIADRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(OCC(F)(F)F)c1 ZINC001348451213 1066745827 /nfs/dbraw/zinc/74/58/27/1066745827.db2.gz XWGAFPVORWWTAM-UHFFFAOYSA-N 0 0 456.486 4.445 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(c3cccnc3)CC3(CCC3)C2)cc1 ZINC001348456374 1066746290 /nfs/dbraw/zinc/74/62/90/1066746290.db2.gz RFNAIJGPCSAUJH-LJQANCHMSA-N 0 0 455.624 4.191 20 0 JIADRN CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2csnn2)NC(=S)N1c1ccc(F)cc1 ZINC001317872870 1066746817 /nfs/dbraw/zinc/74/68/17/1066746817.db2.gz CZQVXKYMTHGCJJ-MRXNPFEDSA-N 0 0 460.947 4.074 20 0 JIADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001348482452 1066748960 /nfs/dbraw/zinc/74/89/60/1066748960.db2.gz QFOHGSZYMDKMNY-CEXWTWQISA-N 0 0 480.650 4.396 20 0 JIADRN CC[C@H](C)c1ccccc1OC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC001348502785 1066751459 /nfs/dbraw/zinc/75/14/59/1066751459.db2.gz YFPPBHZOENPGKM-RCDICMHDSA-N 0 0 459.340 4.335 20 0 JIADRN O=C(COc1ccsc1)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC001348508704 1066751939 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0 JIADRN Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)s1 ZINC001492553202 1067344102 /nfs/dbraw/zinc/34/41/02/1067344102.db2.gz IDSZEKQSJNCTIQ-JKSUJKDBSA-N 0 0 465.044 4.449 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@H]2CCCO2)cc1Br ZINC001300002812 1067344510 /nfs/dbraw/zinc/34/45/10/1067344510.db2.gz MMOATJNJBFNGNY-OAHLLOKOSA-N 0 0 478.416 4.297 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CCc2c(C)noc2C)cc1OC ZINC001300002830 1067344876 /nfs/dbraw/zinc/34/48/76/1067344876.db2.gz NPBVWTFXLFOKFN-UHFFFAOYSA-N 0 0 451.527 4.348 20 0 JIADRN COC[C@]1(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001355026836 1067344925 /nfs/dbraw/zinc/34/49/25/1067344925.db2.gz BIADHPAPYSNXEB-VWLOTQADSA-N 0 0 459.587 4.104 20 0 JIADRN Cc1ccccc1C(=O)NC1CCN(c2nnc(C3CC3)n2CCSCC(F)(F)F)CC1 ZINC001492553261 1067344931 /nfs/dbraw/zinc/34/49/31/1067344931.db2.gz HTDMBNGWWUSOGO-UHFFFAOYSA-N 0 0 467.561 4.158 20 0 JIADRN Cc1ccccc1C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCCSCC(C)C)CC1 ZINC001492553307 1067345265 /nfs/dbraw/zinc/34/52/65/1067345265.db2.gz IXKRWDKOPXSNQR-NRFANRHFSA-N 0 0 485.698 4.269 20 0 JIADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-n3cccn3)c(F)c2)[C@@H]1c1ccc(OC)cc1 ZINC001355028191 1067346088 /nfs/dbraw/zinc/34/60/88/1067346088.db2.gz QBVFNHNAAZYMEF-YKSBVNFPSA-N 0 0 450.514 4.348 20 0 JIADRN Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492553358 1067346320 /nfs/dbraw/zinc/34/63/20/1067346320.db2.gz JKVTURWJWBQVIP-GOSISDBHSA-N 0 0 475.563 4.459 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2Cc2ncccc2C)c(OC)c1 ZINC001300003291 1067347122 /nfs/dbraw/zinc/34/71/22/1067347122.db2.gz SQMQQUQUCPFHMO-UHFFFAOYSA-N 0 0 450.568 4.115 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC2(O)CCCCCC2)cc1 ZINC001300003579 1067347841 /nfs/dbraw/zinc/34/78/41/1067347841.db2.gz OBNYSRHNVLIHGV-UHFFFAOYSA-N 0 0 492.546 4.428 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3cnccn3)n2Cc2ccc(Cl)s2)c(OC)c1 ZINC001300003873 1067348786 /nfs/dbraw/zinc/34/87/86/1067348786.db2.gz VNGRWQSPFJVKHY-UHFFFAOYSA-N 0 0 456.959 4.152 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@](C)(O)c2ccsc2)c(OC)c1 ZINC001300003917 1067349206 /nfs/dbraw/zinc/34/92/06/1067349206.db2.gz WTFNHYQTJGDTJB-HSZRJFAPSA-N 0 0 485.635 4.333 20 0 JIADRN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001352355137 1067349484 /nfs/dbraw/zinc/34/94/84/1067349484.db2.gz NOUCHXOCLQPJMO-MSOLQXFVSA-N 0 0 473.289 4.317 20 0 JIADRN COc1ccc(N2C[C@@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)c(OC)c1 ZINC001352355593 1067349496 /nfs/dbraw/zinc/34/94/96/1067349496.db2.gz OGJDTMXSCCBNKC-QHCPKHFHSA-N 0 0 458.558 4.328 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(COCC(F)(F)F)cc2)[C@@H]1c1cccc(Cl)c1 ZINC001352354923 1067349509 /nfs/dbraw/zinc/34/95/09/1067349509.db2.gz LQCNPUGAXVARCK-QUCCMNQESA-N 0 0 454.876 4.255 20 0 JIADRN Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC(F)F)c1 ZINC001492553622 1067349995 /nfs/dbraw/zinc/34/99/95/1067349995.db2.gz MLQBOPWRUTZTSN-QGZVFWFLSA-N 0 0 470.524 4.065 20 0 JIADRN CO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccc(N(C)C)cc2)C1 ZINC001300787087 1067350295 /nfs/dbraw/zinc/35/02/95/1067350295.db2.gz XGVOQYPEUUSFKI-GOTSBHOMSA-N 0 0 498.672 4.274 20 0 JIADRN CO[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C1 ZINC001300787119 1067350311 /nfs/dbraw/zinc/35/03/11/1067350311.db2.gz XLVUPIXOHGEMKV-FQEVSTJZSA-N 0 0 483.638 4.216 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CCc2cccc(C)n2)c(OC)c1 ZINC001300005034 1067351466 /nfs/dbraw/zinc/35/14/66/1067351466.db2.gz AEUMSHORNBCQKU-UHFFFAOYSA-N 0 0 450.568 4.001 20 0 JIADRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001352360304 1067352072 /nfs/dbraw/zinc/35/20/72/1067352072.db2.gz LMGZVYIONPLDTN-HNNXBMFYSA-N 0 0 450.457 4.461 20 0 JIADRN COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2Cc2nnc(C(C)(C)C)s2)c(OC)c1 ZINC001300005359 1067352333 /nfs/dbraw/zinc/35/23/33/1067352333.db2.gz DTMDERHJWCSTSS-UHFFFAOYSA-N 0 0 474.606 4.344 20 0 JIADRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001352361128 1067352504 /nfs/dbraw/zinc/35/25/04/1067352504.db2.gz ZNPMUWRHKWYHHH-UHFFFAOYSA-N 0 0 457.939 4.104 20 0 JIADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC001355036546 1067352871 /nfs/dbraw/zinc/35/28/71/1067352871.db2.gz BDRPZLVPMXEDCI-HZPDHXFCSA-N 0 0 454.571 4.054 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H]2CC=CCO2)cc1Br ZINC001300005657 1067353402 /nfs/dbraw/zinc/35/34/02/1067353402.db2.gz HSFJXACLMMAFAH-OAHLLOKOSA-N 0 0 476.400 4.154 20 0 JIADRN Cc1oc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)cc1S(C)(=O)=O ZINC001355038665 1067353882 /nfs/dbraw/zinc/35/38/82/1067353882.db2.gz PPACDPJNVKJLEG-UHFFFAOYSA-N 0 0 455.355 4.054 20 0 JIADRN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001355038163 1067353894 /nfs/dbraw/zinc/35/38/94/1067353894.db2.gz IBIIOIMFVZNVNQ-INIZCTEOSA-N 0 0 457.550 4.083 20 0 JIADRN Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)Br ZINC001492554274 1067354588 /nfs/dbraw/zinc/35/45/88/1067354588.db2.gz UJGLQHNBENTXOP-CQSZACIVSA-N 0 0 479.329 4.419 20 0 JIADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC001200851315 1067356132 /nfs/dbraw/zinc/35/61/32/1067356132.db2.gz KYGAGFJZEAJHQC-OAHLLOKOSA-N 0 0 450.973 4.075 20 0 JIADRN COc1ccc(-c2nnc(N(C)Cc3cscn3)n2Cc2ccc(Cl)nc2)cc1OC ZINC001300006866 1067356237 /nfs/dbraw/zinc/35/62/37/1067356237.db2.gz UECWHDGKYWFVRF-UHFFFAOYSA-N 0 0 456.959 4.152 20 0 JIADRN COc1ccc(-c2nnc(N(C)CC3CC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001300007750 1067357751 /nfs/dbraw/zinc/35/77/51/1067357751.db2.gz WGUUGWYMAQTMRG-IBGZPJMESA-N 0 0 455.603 4.447 20 0 JIADRN C[C@H](NC(=O)c1cnc2ccc(Br)cc2c1O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001300007587 1067358006 /nfs/dbraw/zinc/35/80/06/1067358006.db2.gz KSIOWAKSYJNICM-AFAVFJNCSA-N 0 0 477.399 4.413 20 0 JIADRN CCc1noc(-c2ccc(CCNC(=O)c3c(C(F)(F)F)nn(CC)c3C(F)F)cc2)n1 ZINC001352368640 1067359121 /nfs/dbraw/zinc/35/91/21/1067359121.db2.gz KKBYJHNHBORNNE-UHFFFAOYSA-N 0 0 457.403 4.444 20 0 JIADRN FC(F)(F)c1cc(Br)c(NC(=S)NC[C@H]2CCCO2)c(Br)n1 ZINC001200013503 1067359828 /nfs/dbraw/zinc/35/98/28/1067359828.db2.gz DRBUYHMBUPVGNT-ZCFIWIBFSA-N 0 0 463.117 4.091 20 0 JIADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2ncccc2N(C)C)c(OC)c1 ZINC001300009091 1067360007 /nfs/dbraw/zinc/36/00/07/1067360007.db2.gz NEWXDWHWBRQTEC-LJQANCHMSA-N 0 0 462.598 4.264 20 0 JIADRN COc1ccc(-c2nnc(N(C)CC3CCCC3)n2CC[C@@H]2COCCO2)cc1Br ZINC001300009245 1067360504 /nfs/dbraw/zinc/36/05/04/1067360504.db2.gz OPBLJVZGTBMDIA-GOSISDBHSA-N 0 0 479.419 4.148 20 0 JIADRN Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C(=O)NCc4cccc(C)c4)cc3)c2)n1 ZINC001355050006 1067360878 /nfs/dbraw/zinc/36/08/78/1067360878.db2.gz LLRRMMGAGCACQB-UHFFFAOYSA-N 0 0 453.546 4.434 20 0 JIADRN CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccnc(SC)c2)CC[C@@H]1C ZINC001300790957 1067361112 /nfs/dbraw/zinc/36/11/12/1067361112.db2.gz GZSVNCPFVROQJM-LAUBAEHRSA-N 0 0 480.638 4.174 20 0 JIADRN COc1ccc(-c2nnc(N(C)CC3CCC3)n2C[C@](C)(O)c2ccco2)cc1Br ZINC001300009792 1067361162 /nfs/dbraw/zinc/36/11/62/1067361162.db2.gz WWFQKDJYBUZUHQ-QFIPXVFZSA-N 0 0 475.387 4.453 20 0 JIADRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001352374562 1067361829 /nfs/dbraw/zinc/36/18/29/1067361829.db2.gz XAFPMAFJFOEPGH-ZDUSSCGKSA-N 0 0 451.926 4.163 20 0 JIADRN CO[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccc(C)cc2)CC[C@@H]1C ZINC001300791289 1067362110 /nfs/dbraw/zinc/36/21/10/1067362110.db2.gz KZALIWFOOVGSGU-PZJWPPBQSA-N 0 0 480.638 4.028 20 0 JIADRN COc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCc2csc(C(C)C)n2)cc1OC ZINC001300010217 1067362325 /nfs/dbraw/zinc/36/23/25/1067362325.db2.gz DLQOYDFMDNZEIM-QGZVFWFLSA-N 0 0 471.627 4.258 20 0 JIADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2C[C@@H]2CCCCC2(F)F)cc1OC ZINC001300010316 1067362438 /nfs/dbraw/zinc/36/24/38/1067362438.db2.gz GWWYWEWELNZSPE-ICSRJNTNSA-N 0 0 491.583 4.092 20 0 JIADRN COc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(NC(C)=O)cc4)C3)cc2)c1 ZINC001355053370 1067363345 /nfs/dbraw/zinc/36/33/45/1067363345.db2.gz JNCMSFQWIBXPBR-SFHVURJKSA-N 0 0 459.502 4.438 20 0 JIADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCSC2)cc1Br ZINC001300010729 1067363750 /nfs/dbraw/zinc/36/37/50/1067363750.db2.gz OEVOZCFKOUCWGL-JKSUJKDBSA-N 0 0 481.460 4.332 20 0 JIADRN COc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001300010916 1067363908 /nfs/dbraw/zinc/36/39/08/1067363908.db2.gz SYFSUDIHXAMJHY-OAQYLSRUSA-N 0 0 497.640 4.384 20 0 JIADRN COc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2CC[C@@H](C)C2)cc1OC ZINC001300010973 1067364119 /nfs/dbraw/zinc/36/41/19/1067364119.db2.gz VBWPPGYWFXWQDI-MSOLQXFVSA-N 0 0 458.603 4.234 20 0 JIADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2C[C@H](C)Cc2cccs2)c(OC)c1 ZINC001300011690 1067365150 /nfs/dbraw/zinc/36/51/50/1067365150.db2.gz ZXXKYMFARYFJBZ-QUCCMNQESA-N 0 0 497.665 4.207 20 0 JIADRN COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCn3cc(C)nc32)c(OC)c1 ZINC001300012135 1067366141 /nfs/dbraw/zinc/36/61/41/1067366141.db2.gz RRSHGMUHXYPYAC-INIZCTEOSA-N 0 0 478.519 4.433 20 0 JIADRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](CC(C)(C)C)c3ccccc3)c2)C[C@H](C)O1 ZINC001355058785 1067366155 /nfs/dbraw/zinc/36/61/55/1067366155.db2.gz MRGJALGANTZILP-SELNLUPBSA-N 0 0 458.624 4.392 20 0 JIADRN Cc1c2cc(Br)ccc2sc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001355058879 1067366244 /nfs/dbraw/zinc/36/62/44/1067366244.db2.gz ACZLWEPGFSSQMK-FQEVSTJZSA-N 0 0 458.337 4.279 20 0 JIADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(OC(F)F)c(OC)c3)ccc2C)ccn1 ZINC001355066349 1067367718 /nfs/dbraw/zinc/36/77/18/1067367718.db2.gz QDYBPMNRNGRNSJ-UHFFFAOYSA-N 0 0 457.433 4.404 20 0 JIADRN Cc1ccccc1C1(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001492555559 1067367717 /nfs/dbraw/zinc/36/77/17/1067367717.db2.gz OMLCRBDEVTWQJP-UHFFFAOYSA-N 0 0 457.573 4.400 20 0 JIADRN COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccnc(OC(F)F)c2)cc1 ZINC001300012943 1067368329 /nfs/dbraw/zinc/36/83/29/1067368329.db2.gz IPLGGEBNGZECDZ-UHFFFAOYSA-N 0 0 461.513 4.250 20 0 JIADRN COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2nc(C)c(C)s2)c(OC)c1 ZINC001300013474 1067368973 /nfs/dbraw/zinc/36/89/73/1067368973.db2.gz PXAAVKMFDIJFCP-UHFFFAOYSA-N 0 0 459.616 4.335 20 0 JIADRN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C(C)C)c3)CC2)cc1 ZINC001355072633 1067368979 /nfs/dbraw/zinc/36/89/79/1067368979.db2.gz ULGGSIYTXLKCGA-HXUWFJFHSA-N 0 0 458.624 4.063 20 0 JIADRN NC(=O)C1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3F)cc2)CC1 ZINC001352388701 1067369197 /nfs/dbraw/zinc/36/91/97/1067369197.db2.gz QWWIPDFARMGGRX-UHFFFAOYSA-N 0 0 454.727 4.196 20 0 JIADRN Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN(C)C(=O)OC(C)(C)C ZINC001492554485 1067369645 /nfs/dbraw/zinc/36/96/45/1067369645.db2.gz XCVCUMSQKXVWPM-IBGZPJMESA-N 0 0 472.634 4.179 20 0 JIADRN COc1cccc(C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)c1 ZINC001352390281 1067370259 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1068588158 /nfs/dbraw/zinc/58/81/58/1068588158.db2.gz STYXXCREKIDKND-HXUWFJFHSA-N 0 0 461.488 4.193 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccn3)cc2)cc1 ZINC001353791210 1068589284 /nfs/dbraw/zinc/58/92/84/1068589284.db2.gz VVJJNYAGNJYZTN-UHFFFAOYSA-N 0 0 453.564 4.476 20 0 JIADRN COc1cccc(C=C2CCN(c3nnc(CC(C)C)n3CCC3(O)CCOCC3)CC2)c1 ZINC001300410984 1068590939 /nfs/dbraw/zinc/59/09/39/1068590939.db2.gz YIYBSQQUIONLDL-UHFFFAOYSA-N 0 0 454.615 4.101 20 0 JIADRN COc1ccccc1[C@@H](NC(=O)C1(Cc2ccccc2Br)CC1)c1noc(C)n1 ZINC001353796006 1068595204 /nfs/dbraw/zinc/59/52/04/1068595204.db2.gz AGGAOPJOVLOREP-LJQANCHMSA-N 0 0 456.340 4.378 20 0 JIADRN COc1cccc(CCn2c(-c3cccnc3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001300412641 1068595652 /nfs/dbraw/zinc/59/56/52/1068595652.db2.gz BUAKOPSSHFILAI-OAQYLSRUSA-N 0 0 492.624 4.333 20 0 JIADRN C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC001353798791 1068597830 /nfs/dbraw/zinc/59/78/30/1068597830.db2.gz 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COc1cccc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001300413656 1068601288 /nfs/dbraw/zinc/60/12/88/1068601288.db2.gz MKDWZKSRUFYPND-SIKLNZKXSA-N 0 0 485.629 4.217 20 0 JIADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCc2ccnc(OC3CCCC3)c2)(C(F)(F)F)C1 ZINC001353802676 1068601411 /nfs/dbraw/zinc/60/14/11/1068601411.db2.gz BJPBDTNNJFPGNZ-OAQYLSRUSA-N 0 0 457.493 4.209 20 0 JIADRN COc1cccc(CCn2c(-c3ccc(Br)s3)nnc2N2CC(C)(OC)C2)c1 ZINC001300413815 1068602625 /nfs/dbraw/zinc/60/26/25/1068602625.db2.gz QWJAZFLKKCWHIL-UHFFFAOYSA-N 0 0 463.401 4.246 20 0 JIADRN COc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC001300415402 1068608266 /nfs/dbraw/zinc/60/82/66/1068608266.db2.gz JWMZECJCHLSAEY-JOCHJYFZSA-N 0 0 465.646 4.243 20 0 JIADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cn(C)c(=O)c3ccccc23)n1C ZINC001353810546 1068610347 /nfs/dbraw/zinc/61/03/47/1068610347.db2.gz BELQTQHRFAFTSZ-UHFFFAOYSA-N 0 0 451.324 4.262 20 0 JIADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1c2ccccc2N(C)CC[C@H]1C 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1064289287 /nfs/dbraw/zinc/28/92/87/1064289287.db2.gz LHFYGHMVMFIWIG-INIZCTEOSA-N 0 0 472.483 4.116 20 0 JIADRN COc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC001315465383 1064291334 /nfs/dbraw/zinc/29/13/34/1064291334.db2.gz KGABKWZDXKNMKY-ROUUACIJSA-N 0 0 453.612 4.003 20 0 JIADRN COc1ccc(CCn2c(N(C)CC3COC(C)(C)OC3)nnc2C(C)(C)C)cc1OC(F)F ZINC001315465921 1064293609 /nfs/dbraw/zinc/29/36/09/1064293609.db2.gz TWCSDBDTVVQGSU-UHFFFAOYSA-N 0 0 482.572 4.264 20 0 JIADRN COc1ccc(CCn2c(CC(C)C)nnc2N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001315466670 1064297304 /nfs/dbraw/zinc/29/73/04/1064297304.db2.gz FZXCNWLEVORKEG-XZOQPEGZSA-N 0 0 483.657 4.467 20 0 JIADRN COc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC001315467023 1064297675 /nfs/dbraw/zinc/29/76/75/1064297675.db2.gz WFWPGXIHUMGXQI-FXAWDEMLSA-N 0 0 486.510 4.458 20 0 JIADRN COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCS[C@@H](C)C2)cc1Br ZINC001315467089 1064297940 /nfs/dbraw/zinc/29/79/40/1064297940.db2.gz IVXLHYYVOOKBDH-INIZCTEOSA-N 0 0 488.455 4.219 20 0 JIADRN COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCC(C)=C(Br)C2)cc1 ZINC001315467283 1064298616 /nfs/dbraw/zinc/29/86/16/1064298616.db2.gz KFTBWKGORTVRAY-UHFFFAOYSA-N 0 0 468.399 4.394 20 0 JIADRN COc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CCCC2)cc1 ZINC001315467194 1064298651 /nfs/dbraw/zinc/29/86/51/1064298651.db2.gz BKTMBCCEHRKIPP-QHCPKHFHSA-N 0 0 499.656 4.464 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Cc2cccs2)cc1C ZINC001315467360 1064299363 /nfs/dbraw/zinc/29/93/63/1064299363.db2.gz HMXLQAZAVVWZKT-KRWDZBQOSA-N 0 0 455.628 4.310 20 0 JIADRN COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC001315467534 1064300012 /nfs/dbraw/zinc/30/00/12/1064300012.db2.gz KXTPMMYQBLDETC-LJQANCHMSA-N 0 0 493.505 4.202 20 0 JIADRN COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)cc1OC ZINC001315467585 1064300495 /nfs/dbraw/zinc/30/04/95/1064300495.db2.gz LPQWQFBXGOOQSD-HSZRJFAPSA-N 0 0 467.639 4.102 20 0 JIADRN COc1ccc(CCn2c(Cc3csc(C)n3)nnc2N(C)Cc2cscn2)cc1F ZINC001315467710 1064301096 /nfs/dbraw/zinc/30/10/96/1064301096.db2.gz MWVQVYMJASLJBV-UHFFFAOYSA-N 0 0 458.588 4.117 20 0 JIADRN COc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCCCCCC2)c(OC)c1OC ZINC001315468168 1064302587 /nfs/dbraw/zinc/30/25/87/1064302587.db2.gz QMOXJCOJDUEHIJ-UHFFFAOYSA-N 0 0 465.598 4.303 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C)cc1OC(F)F ZINC001315468366 1064303187 /nfs/dbraw/zinc/30/31/87/1064303187.db2.gz PYGRMERAASMHJF-UHFFFAOYSA-N 0 0 491.564 4.179 20 0 JIADRN COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1F ZINC001315469059 1064304498 /nfs/dbraw/zinc/30/44/98/1064304498.db2.gz XIWSOEKQTRGMCA-SANMLTNESA-N 0 0 467.589 4.296 20 0 JIADRN COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)cc1F ZINC001315469857 1064306698 /nfs/dbraw/zinc/30/66/98/1064306698.db2.gz RHQIZQKIZJDESA-MRXNPFEDSA-N 0 0 471.543 4.330 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCSC2)cc1O ZINC001315469998 1064307109 /nfs/dbraw/zinc/30/71/09/1064307109.db2.gz GQPTVBPWZJCSGI-HNNXBMFYSA-N 0 0 492.443 4.150 20 0 JIADRN COc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)[C@@H]2C)cc1 ZINC001315470374 1064307857 /nfs/dbraw/zinc/30/78/57/1064307857.db2.gz WCGIQOYREPRVJB-DXIQSLLYSA-N 0 0 485.629 4.073 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2ncc(C)s2)cc1F ZINC001315472625 1064313000 /nfs/dbraw/zinc/31/30/00/1064313000.db2.gz NTJORMBRFMASLH-CQSZACIVSA-N 0 0 455.563 4.031 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001315473206 1064314330 /nfs/dbraw/zinc/31/43/30/1064314330.db2.gz GAHCFFZTHPSJQU-HXUWFJFHSA-N 0 0 493.612 4.027 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCO[C@H]2C(C)C)c(OC)c1 ZINC001315474111 1064318193 /nfs/dbraw/zinc/31/81/93/1064318193.db2.gz KMDBSBRWQILJBD-OFNKIYASSA-N 0 0 451.571 4.055 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCCC2)cc1 ZINC001315474055 1064318241 /nfs/dbraw/zinc/31/82/41/1064318241.db2.gz CLMFSDPKEMFDPF-QFIPXVFZSA-N 0 0 485.629 4.422 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCc2nnc(C)s2)cc1 ZINC001315474199 1064318751 /nfs/dbraw/zinc/31/87/51/1064318751.db2.gz MZAGXQDKQWIXTF-UHFFFAOYSA-N 0 0 470.002 4.431 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC=CCO2)cc1 ZINC001315474453 1064320435 /nfs/dbraw/zinc/32/04/35/1064320435.db2.gz HPPHSQAQGJBFCM-HSZRJFAPSA-N 0 0 497.640 4.383 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2ncc(C)s2)c(OC)c1 ZINC001315474488 1064320477 /nfs/dbraw/zinc/32/04/77/1064320477.db2.gz ICMXVDJCPIOMSD-VQIMIIECSA-N 0 0 471.627 4.394 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)c(OC)c1 ZINC001315474861 1064321968 /nfs/dbraw/zinc/32/19/68/1064321968.db2.gz JLOONKZBSSMKIS-GOSISDBHSA-N 0 0 491.514 4.288 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)nn2C)cc1C ZINC001315475098 1064322477 /nfs/dbraw/zinc/32/24/77/1064322477.db2.gz QKKONKJECMGKMZ-UHFFFAOYSA-N 0 0 451.962 4.037 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@H]2C[C@H]2C)cc1O ZINC001315475315 1064324044 /nfs/dbraw/zinc/32/40/44/1064324044.db2.gz MLYBCIZVTASTHK-QRQLOZEOSA-N 0 0 471.602 4.324 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3noc4c3COCC4)n2CCCC(F)(F)F)cc1OC ZINC001315475482 1064324111 /nfs/dbraw/zinc/32/41/11/1064324111.db2.gz UQGKYTVDGHHANT-UHFFFAOYSA-N 0 0 481.475 4.002 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)C)cc1O ZINC001315475737 1064325107 /nfs/dbraw/zinc/32/51/07/1064325107.db2.gz OOQYIXHIHFOJOW-LJQANCHMSA-N 0 0 473.618 4.399 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCc2sc(C)nc2C)c(OC)c1 ZINC001315477907 1064331963 /nfs/dbraw/zinc/33/19/63/1064331963.db2.gz YHSRJKHTFWZWTK-UHFFFAOYSA-N 0 0 466.611 4.253 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@H]2C(C)C)cc1OC ZINC001315478132 1064332428 /nfs/dbraw/zinc/33/24/28/1064332428.db2.gz QXYFVSHTWGISFV-NWSQWKLXSA-N 0 0 458.603 4.234 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CC(F)(F)CO2)cc1F ZINC001315479110 1064334828 /nfs/dbraw/zinc/33/48/28/1064334828.db2.gz BYPQAPOVEQCRPG-INIZCTEOSA-N 0 0 452.502 4.139 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001315479618 1064336966 /nfs/dbraw/zinc/33/69/66/1064336966.db2.gz NQLZPUKEOAGJEC-UHFFFAOYSA-N 0 0 486.642 4.146 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCO[C@@H]2CCCC[C@H]2C)cc1O ZINC001315480728 1064340702 /nfs/dbraw/zinc/34/07/02/1064340702.db2.gz ROYMQFPJBXUYHT-AUSIDOKSSA-N 0 0 465.598 4.210 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2Cc2sc(C)nc2C)cc1OC ZINC001315480787 1064341391 /nfs/dbraw/zinc/34/13/91/1064341391.db2.gz SKMBLOLFODMVDR-UHFFFAOYSA-N 0 0 464.595 4.039 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCC[C@H]2C)cc1OC(F)F ZINC001315481224 1064342234 /nfs/dbraw/zinc/34/22/34/1064342234.db2.gz ZVJKLLJXBQQQDX-NSYGIPOTSA-N 0 0 487.551 4.061 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)cc1O ZINC001315481488 1064342790 /nfs/dbraw/zinc/34/27/90/1064342790.db2.gz JGVJFGALGNKWDW-DSLXNQLJSA-N 0 0 471.602 4.055 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001315481512 1064343473 /nfs/dbraw/zinc/34/34/73/1064343473.db2.gz JWJFCUDLBMSMPQ-HXUWFJFHSA-N 0 0 459.591 4.032 20 0 JIADRN COc1ccc(CN(c2nnc(CC(C)(C)C)n2CCCN2CCCCC2=O)C2CC2)cc1 ZINC001315481805 1064343621 /nfs/dbraw/zinc/34/36/21/1064343621.db2.gz QJRWDHKNULOMDI-UHFFFAOYSA-N 0 0 453.631 4.447 20 0 JIADRN COc1ccc(CN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)(C)C)C2CC2)cc1 ZINC001315482122 1064345084 /nfs/dbraw/zinc/34/50/84/1064345084.db2.gz YYSGOJGQOYAWGG-UHFFFAOYSA-N 0 0 467.639 4.270 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@H](C)C2)cc1 ZINC001315483409 1064348932 /nfs/dbraw/zinc/34/89/32/1064348932.db2.gz NQJGTOQDMDSDEQ-MOPGFXCFSA-N 0 0 483.638 4.120 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cccn2)c(OC)c1 ZINC001315483789 1064350550 /nfs/dbraw/zinc/35/05/50/1064350550.db2.gz VXQYBDDVMLDYFV-FYYLOGMGSA-N 0 0 482.629 4.137 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)c(F)c1 ZINC001315484349 1064351815 /nfs/dbraw/zinc/35/18/15/1064351815.db2.gz IVWXHMTVPJKTJS-UHFFFAOYSA-N 0 0 464.545 4.304 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCSC(F)(F)F)c(OC)c1 ZINC001315484040 1064351831 /nfs/dbraw/zinc/35/18/31/1064351831.db2.gz XSXVRGBDSDOKEI-UHFFFAOYSA-N 0 0 484.548 4.046 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C(F)F)C2)cn1 ZINC001315484604 1064353376 /nfs/dbraw/zinc/35/33/76/1064353376.db2.gz PWKVHNBFDYMWDS-SFHVURJKSA-N 0 0 470.524 4.081 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1F ZINC001315485693 1064355544 /nfs/dbraw/zinc/35/55/44/1064355544.db2.gz VCGUCMKLJJZCQR-WMZOPIPTSA-N 0 0 461.582 4.337 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@H](C)C2)c(OC)n1 ZINC001315486598 1064358213 /nfs/dbraw/zinc/35/82/13/1064358213.db2.gz AENGAGSWLUXIJO-JKSUJKDBSA-N 0 0 457.962 4.378 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@](C)(OC)C2)cn1 ZINC001315486888 1064358444 /nfs/dbraw/zinc/35/84/44/1064358444.db2.gz DTXDPFNSEJRHQY-HSZRJFAPSA-N 0 0 459.497 4.004 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Br)cs2)cn1 ZINC001315487365 1064361310 /nfs/dbraw/zinc/36/13/10/1064361310.db2.gz HBFCOPWWSCDUDN-UHFFFAOYSA-N 0 0 473.400 4.196 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CCc2nccs2)cn1 ZINC001315487807 1064362638 /nfs/dbraw/zinc/36/26/38/1064362638.db2.gz FDTXCPRLSCQKQH-MRXNPFEDSA-N 0 0 468.558 4.145 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(CC(C)C)C(C)C)cn1 ZINC001315487944 1064363460 /nfs/dbraw/zinc/36/34/60/1064363460.db2.gz MQMVCNIXODPBEH-UHFFFAOYSA-N 0 0 461.408 4.369 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCSCC2)cn1 ZINC001315488041 1064363495 /nfs/dbraw/zinc/36/34/95/1064363495.db2.gz RSUBFMYPZNLROG-UHFFFAOYSA-N 0 0 480.819 4.366 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@H](C)C(C)(C)C2)c(OC)c1OC ZINC001315487902 1064363548 /nfs/dbraw/zinc/36/35/48/1064363548.db2.gz MIZZDFNDOIAHKL-KRWDZBQOSA-N 0 0 453.587 4.230 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1F ZINC001315489294 1064368823 /nfs/dbraw/zinc/36/88/23/1064368823.db2.gz NXCNTBNGWQGWJO-SJKOYZFVSA-N 0 0 485.869 4.346 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCC2)cc1OC ZINC001315489535 1064369535 /nfs/dbraw/zinc/36/95/35/1064369535.db2.gz ZTGNEMQQZVRRGE-UHFFFAOYSA-N 0 0 474.403 4.492 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C)C2)cn1 ZINC001315489724 1064370133 /nfs/dbraw/zinc/37/01/33/1064370133.db2.gz OPNOVWWVCSUSMO-MSOLQXFVSA-N 0 0 471.989 4.365 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@H](SC)C2)cc1O ZINC001315489567 1064370410 /nfs/dbraw/zinc/37/04/10/1064370410.db2.gz PVTXKZNTEKIQAX-KRWDZBQOSA-N 0 0 460.003 4.478 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCOC[C@H](C3CCC3)C2)cc1OC(F)F ZINC001315490320 1064372754 /nfs/dbraw/zinc/37/27/54/1064372754.db2.gz RMCKUZWOHWEPJR-GOSISDBHSA-N 0 0 450.530 4.313 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N(C)C[C@H]2CCCCO2)cc1OC(F)F ZINC001315490227 1064372767 /nfs/dbraw/zinc/37/27/67/1064372767.db2.gz HSZSJBWIEJSBQE-QGZVFWFLSA-N 0 0 459.497 4.004 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@H](C)OC(C)(C)C2)c(OC)n1 ZINC001315491007 1064374995 /nfs/dbraw/zinc/37/49/95/1064374995.db2.gz WNHWNSUMOOVUSI-ICSRJNTNSA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001315491957 1064377150 /nfs/dbraw/zinc/37/71/50/1064377150.db2.gz WSWGRXNCTJBZRC-LJQANCHMSA-N 0 0 478.597 4.151 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCCC[C@H](SC)C2)c(OC)c1OC ZINC001315492399 1064378645 /nfs/dbraw/zinc/37/86/45/1064378645.db2.gz PCOFFVRHUFYDLA-IBGZPJMESA-N 0 0 469.611 4.136 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(C)on2)cc1Br ZINC001315492458 1064378783 /nfs/dbraw/zinc/37/87/83/1064378783.db2.gz RFFMKDNWRHNDEE-UHFFFAOYSA-N 0 0 457.332 4.025 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC001315492751 1064379373 /nfs/dbraw/zinc/37/93/73/1064379373.db2.gz BIJLAQFYGFJIKJ-UHFFFAOYSA-N 0 0 471.602 4.105 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)cc1OC(F)F ZINC001315493035 1064380194 /nfs/dbraw/zinc/38/01/94/1064380194.db2.gz MUFDLBWKZXHRIH-CQSZACIVSA-N 0 0 489.489 4.277 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(C)noc2C)cc1OC(F)F ZINC001315493949 1064381557 /nfs/dbraw/zinc/38/15/57/1064381557.db2.gz DAAWWQLQLLFAMQ-LJQANCHMSA-N 0 0 477.512 4.419 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1Cl ZINC001315493745 1064381667 /nfs/dbraw/zinc/38/16/67/1064381667.db2.gz BDQJSOHAOVVPFW-WIYYLYMNSA-N 0 0 490.048 4.361 20 0 JIADRN COc1ccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccs2)cc1Br ZINC001315494161 1064383096 /nfs/dbraw/zinc/38/30/96/1064383096.db2.gz QLFWUKXAUHVUQH-UHFFFAOYSA-N 0 0 471.384 4.252 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](C)C2)cc1OC(F)F ZINC001315495036 1064385517 /nfs/dbraw/zinc/38/55/17/1064385517.db2.gz CRLRBDBAISORPC-FUHWJXTLSA-N 0 0 450.530 4.457 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CCCc2ccccn2)cc1OC ZINC001315494893 1064385526 /nfs/dbraw/zinc/38/55/26/1064385526.db2.gz OMUGMHWLSZDCDO-JOCHJYFZSA-N 0 0 451.571 4.049 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](C)C(C)(C)C2)c(OC)c1OC ZINC001315495748 1064387758 /nfs/dbraw/zinc/38/77/58/1064387758.db2.gz XRXCGNNTFXSVEM-PXNSSMCTSA-N 0 0 458.603 4.466 20 0 JIADRN COc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CC2)c(OC)c1 ZINC001315497282 1064390016 /nfs/dbraw/zinc/39/00/16/1064390016.db2.gz ZUGIMFTUNCUNAI-UHFFFAOYSA-N 0 0 471.602 4.057 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@H](CC(C)C)C2)c(OC)n1 ZINC001315498696 1064394460 /nfs/dbraw/zinc/39/44/60/1064394460.db2.gz GRWYZDKYZOCEQO-IBGZPJMESA-N 0 0 465.598 4.210 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001315498707 1064394717 /nfs/dbraw/zinc/39/47/17/1064394717.db2.gz HFNSQACPBHICHG-PZJWPPBQSA-N 0 0 492.624 4.060 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)c3ccsc3)CC2)c(OC)c1 ZINC001315499345 1064396063 /nfs/dbraw/zinc/39/60/63/1064396063.db2.gz QTBUBIOYPGPIDF-UHFFFAOYSA-N 0 0 497.665 4.346 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(F)c1 ZINC001315499390 1064396151 /nfs/dbraw/zinc/39/61/51/1064396151.db2.gz SABHPIZIAJJAEF-GOSISDBHSA-N 0 0 473.637 4.440 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1O ZINC001315499340 1064396341 /nfs/dbraw/zinc/39/63/41/1064396341.db2.gz QOQLHJDSYIWJDQ-FQEVSTJZSA-N 0 0 492.624 4.188 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H]2[C@@H]2CCCO2)cc1Br ZINC001315499534 1064397062 /nfs/dbraw/zinc/39/70/62/1064397062.db2.gz BJCLKFLVYHQKBM-QUCCMNQESA-N 0 0 463.420 4.444 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc1F ZINC001315499797 1064398982 /nfs/dbraw/zinc/39/89/82/1064398982.db2.gz WBOLVICZXABRLW-HNNXBMFYSA-N 0 0 457.516 4.136 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C(F)(F)F)CC2)cc1OC ZINC001315500085 1064399268 /nfs/dbraw/zinc/39/92/68/1064399268.db2.gz VVBUFUJCVICBJP-UHFFFAOYSA-N 0 0 461.488 4.108 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)CC2)cc1OC(F)F ZINC001315500157 1064399347 /nfs/dbraw/zinc/39/93/47/1064399347.db2.gz YFNGRBQNQURSGW-UHFFFAOYSA-N 0 0 491.505 4.209 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C)=C(C)C2)cc1OC(F)F ZINC001315500952 1064402095 /nfs/dbraw/zinc/40/20/95/1064402095.db2.gz IKAHAYCDFGFIFE-UHFFFAOYSA-N 0 0 455.509 4.469 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccc(Br)c2)cn1 ZINC001315501480 1064403741 /nfs/dbraw/zinc/40/37/41/1064403741.db2.gz OSCYIMSOBKXCAX-UHFFFAOYSA-N 0 0 479.382 4.115 20 0 JIADRN COc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cn1 ZINC001315501918 1064404229 /nfs/dbraw/zinc/40/42/29/1064404229.db2.gz HTASKPBDKRRVNK-UHFFFAOYSA-N 0 0 492.624 4.009 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001315502001 1064404374 /nfs/dbraw/zinc/40/43/74/1064404374.db2.gz YHZBTNXUAJEEQE-QFIPXVFZSA-N 0 0 492.624 4.014 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(C)C)C2)c(OC)c1OC ZINC001315502028 1064404419 /nfs/dbraw/zinc/40/44/19/1064404419.db2.gz ZDZRGWKALPODGQ-HXUWFJFHSA-N 0 0 465.598 4.210 20 0 JIADRN COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C2CCC2)cc1Br ZINC001315503303 1064409134 /nfs/dbraw/zinc/40/91/34/1064409134.db2.gz BRUCRIRFNPGZKI-UHFFFAOYSA-N 0 0 490.427 4.078 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC(C)CC2)cn1 ZINC001315504252 1064413524 /nfs/dbraw/zinc/41/35/24/1064413524.db2.gz OFTWMMXJJGUWDO-UHFFFAOYSA-N 0 0 472.387 4.308 20 0 JIADRN COc1ccc(CN2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(C)C)CC2=O)cc1 ZINC001315504389 1064414697 /nfs/dbraw/zinc/41/46/97/1064414697.db2.gz AXHZDVWBOPPLES-ILBGXUMGSA-N 0 0 497.684 4.490 20 0 JIADRN COc1ccc(Cn2c(N(C)Cc3cc(C)cs3)nnc2[C@]2(OC(C)C)CCOC2)cc1O ZINC001315504744 1064416559 /nfs/dbraw/zinc/41/65/59/1064416559.db2.gz CMPRWKSRZPKASS-DEOSSOPVSA-N 0 0 472.611 4.088 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)c(OC)n1 ZINC001315505112 1064418057 /nfs/dbraw/zinc/41/80/57/1064418057.db2.gz GRFCWSHURKTOFV-UHFFFAOYSA-N 0 0 496.420 4.178 20 0 JIADRN COc1ccc(CN2CCCN(c3nnc(CC4CC4)n3CC(C)(C)C(C)C)CC2=O)cc1 ZINC001315505191 1064418111 /nfs/dbraw/zinc/41/81/11/1064418111.db2.gz OLVSWVUOXXMCSP-UHFFFAOYSA-N 0 0 453.631 4.160 20 0 JIADRN COc1ccc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@]3(C)CCCS3)CC2)cc1F ZINC001315505242 1064418572 /nfs/dbraw/zinc/41/85/72/1064418572.db2.gz POSPHFMAWZLJEL-DEOSSOPVSA-N 0 0 461.651 4.331 20 0 JIADRN COc1ccc(Cn2c(N(C)[C@H]3CCCc4c3cnn4C)nnc2C(C)(C)C)cc1OC(F)F ZINC001315505637 1064419780 /nfs/dbraw/zinc/41/97/80/1064419780.db2.gz LCVNQQWHWZWYRU-KRWDZBQOSA-N 0 0 474.556 4.481 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)c(OC)n1 ZINC001315505660 1064420413 /nfs/dbraw/zinc/42/04/13/1064420413.db2.gz LIVWRBJIAQFWTL-IRXDYDNUSA-N 0 0 455.534 4.082 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCCC[C@H](SC)C2)cn1 ZINC001315505995 1064422020 /nfs/dbraw/zinc/42/20/20/1064422020.db2.gz NNEJAQLRTRQWBD-NRFANRHFSA-N 0 0 453.612 4.339 20 0 JIADRN COc1ccc(Cn2c(N(C)CC(F)(F)F)nnc2[C@]2(OC(C)C)CCOC2)cc1Cl ZINC001315506164 1064422621 /nfs/dbraw/zinc/42/26/21/1064422621.db2.gz OKRSUSYGKZKBLK-IBGZPJMESA-N 0 0 462.900 4.028 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)c(OC)c2)cn1 ZINC001315506218 1064422802 /nfs/dbraw/zinc/42/28/02/1064422802.db2.gz LMGUFOIEKYHFFU-HYBUGGRVSA-N 0 0 495.624 4.302 20 0 JIADRN COc1ccc(Cn2c(N3CCC(C(F)(F)F)(C(F)(F)F)C3)nnc2C(C)(C)C)c(OC)n1 ZINC001315506713 1064425015 /nfs/dbraw/zinc/42/50/15/1064425015.db2.gz DAMKLKCXQNCRNT-UHFFFAOYSA-N 0 0 481.441 4.357 20 0 JIADRN COc1ccc(Cn2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nnc2C(C)(C)C)cc1OC ZINC001315506733 1064425147 /nfs/dbraw/zinc/42/51/47/1064425147.db2.gz FCUMYGIGKBBIAV-KRWDZBQOSA-N 0 0 473.618 4.087 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](C)C2)cn1 ZINC001315507490 1064428473 /nfs/dbraw/zinc/42/84/73/1064428473.db2.gz VFMJQPCNCQQLAQ-MJGOQNOKSA-N 0 0 456.591 4.038 20 0 JIADRN COc1ccc(CN2CCCN(c3nnc(C4CCCC4)n3CCCCSC)CC2=O)cc1 ZINC001315507600 1064429321 /nfs/dbraw/zinc/42/93/21/1064429321.db2.gz QGSWCLLHWLYZDW-UHFFFAOYSA-N 0 0 471.671 4.326 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C)CC2)c(F)c1 ZINC001315508077 1064430672 /nfs/dbraw/zinc/43/06/72/1064430672.db2.gz QMMRNRJOZKPKMF-KDURUIRLSA-N 0 0 473.593 4.481 20 0 JIADRN COc1ccc(Cn2c(N3CCCO[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)c(C(F)(F)F)c1 ZINC001315508209 1064431710 /nfs/dbraw/zinc/43/17/10/1064431710.db2.gz TWNYXRRHWDDQRR-HXOBKFHXSA-N 0 0 498.546 4.010 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001315509498 1064436900 /nfs/dbraw/zinc/43/69/00/1064436900.db2.gz AUASAKCOQIHYFS-BEFAXECRSA-N 0 0 476.021 4.290 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(N(C)CC(F)(F)F)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001315509975 1064439448 /nfs/dbraw/zinc/43/94/48/1064439448.db2.gz MNZXAQBYCFNQGU-LJQANCHMSA-N 0 0 462.900 4.028 20 0 JIADRN COc1ccc(F)cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(C)cs1 ZINC001315510823 1064443563 /nfs/dbraw/zinc/44/35/63/1064443563.db2.gz BOHQIPVUXBDDNB-UHFFFAOYSA-N 0 0 454.575 4.342 20 0 JIADRN COc1ccc(F)cc1Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001315510798 1064443615 /nfs/dbraw/zinc/44/36/15/1064443615.db2.gz AZKAHTXVJXADIE-JTSKRJEESA-N 0 0 486.510 4.293 20 0 JIADRN COc1ccc(F)cc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 ZINC001315510795 1064443625 /nfs/dbraw/zinc/44/36/25/1064443625.db2.gz AXRWEFJDGFKMEL-FQEVSTJZSA-N 0 0 489.592 4.163 20 0 JIADRN COc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001315511277 1064446495 /nfs/dbraw/zinc/44/64/95/1064446495.db2.gz HASDZHMMTPZELD-GOSISDBHSA-N 0 0 459.610 4.050 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1nccs1 ZINC001315511256 1064446507 /nfs/dbraw/zinc/44/65/07/1064446507.db2.gz KGCSFULHAQWVQH-AWEZNQCLSA-N 0 0 457.991 4.237 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([S@](C)=O)CC1 ZINC001315513803 1064455396 /nfs/dbraw/zinc/45/53/96/1064455396.db2.gz VAJJDGRZCMTMPC-HKBQPEDESA-N 0 0 480.421 4.203 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001315513976 1064456922 /nfs/dbraw/zinc/45/69/22/1064456922.db2.gz XZNGGKBLCJOSMT-SFHVURJKSA-N 0 0 471.980 4.056 20 0 JIADRN COc1ccc(COCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cnn(C)c2C)cc1 ZINC001315514124 1064457954 /nfs/dbraw/zinc/45/79/54/1064457954.db2.gz ONBASNLVKRBYND-DNQXCXABSA-N 0 0 496.656 4.100 20 0 JIADRN 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COCCCn1c2nn(CN3CCCn4c(cc5ccccc54)C3)c(=S)n2c2ccccc2c1=O ZINC001335332280 1066411272 /nfs/dbraw/zinc/41/12/72/1066411272.db2.gz ZKUUEUHKJLVZAN-UHFFFAOYSA-N 0 0 488.617 4.035 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492525809 1066411526 /nfs/dbraw/zinc/41/15/26/1066411526.db2.gz IJJQRGWKKBOVIG-NHCUHLMSSA-N 0 0 491.640 4.416 20 0 JIADRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H]1C(F)(F)F ZINC001316487628 1066412183 /nfs/dbraw/zinc/41/21/83/1066412183.db2.gz NXUWKHPUFXVVFG-BRSBDYLESA-N 0 0 485.595 4.379 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(F)cn2)C[C@@H]1F ZINC001316487941 1066412692 /nfs/dbraw/zinc/41/26/92/1066412692.db2.gz VFJZTLNQFRENOC-DIFFPNOSSA-N 0 0 452.278 4.223 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCSCCCO)C[C@H]1C(F)(F)F ZINC001316487947 1066412880 /nfs/dbraw/zinc/41/28/80/1066412880.db2.gz VNAZHSWLQFKDKJ-IUODEOHRSA-N 0 0 466.932 4.488 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1F ZINC001316488236 1066414940 /nfs/dbraw/zinc/41/49/40/1066414940.db2.gz ZRCXQYNGUPZJBD-CJNGLKHVSA-N 0 0 484.885 4.367 20 0 JIADRN Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 ZINC001492527403 1066421163 /nfs/dbraw/zinc/42/11/63/1066421163.db2.gz GPEOJJPYVYNIDO-HSZRJFAPSA-N 0 0 494.615 4.073 20 0 JIADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC(Oc3ccccc3)CC2)cc1 ZINC001335807905 1066423983 /nfs/dbraw/zinc/42/39/83/1066423983.db2.gz DZSYZWXFDDPLAK-UHFFFAOYSA-N 0 0 452.580 4.093 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001316490708 1066424872 /nfs/dbraw/zinc/42/48/72/1066424872.db2.gz AODCCUVNFHLEQH-MJGOQNOKSA-N 0 0 490.649 4.001 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2nccn2C(F)F)CCN1C(=O)OC(C)(C)C ZINC001316490786 1066425886 /nfs/dbraw/zinc/42/58/86/1066425886.db2.gz FIYYZWSITFJKFM-OAHLLOKOSA-N 0 0 493.584 4.016 20 0 JIADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C(F)(F)F ZINC001316491548 1066427670 /nfs/dbraw/zinc/42/76/70/1066427670.db2.gz ZZYPEDFEMGXHNY-SJLPKXTDSA-N 0 0 455.569 4.294 20 0 JIADRN Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492527941 1066428534 /nfs/dbraw/zinc/42/85/34/1066428534.db2.gz YWOYJLPNJYDYLP-DNVJHFABSA-N 0 0 455.647 4.394 20 0 JIADRN Cc1cccc(CCn2c(-c3ccc(Br)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492528295 1066430474 /nfs/dbraw/zinc/43/04/74/1066430474.db2.gz KBOJDWALGCISDN-IRXDYDNUSA-N 0 0 456.388 4.267 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCSC2)CCN1C(=O)OC(C)(C)C ZINC001316492471 1066430990 /nfs/dbraw/zinc/43/09/90/1066430990.db2.gz LLWIGDKMVQDBIL-IYWMVGAKSA-N 0 0 493.718 4.395 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCO[C@@H]2CCOC2)C[C@H]1C(F)(F)F ZINC001316492517 1066431161 /nfs/dbraw/zinc/43/11/61/1066431161.db2.gz NRMGBPWYNGQKQG-FVVUREQNSA-N 0 0 474.568 4.027 20 0 JIADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2cccc(C)c2)o1 ZINC001492528587 1066431110 /nfs/dbraw/zinc/43/11/10/1066431110.db2.gz BGAYQEFNMZBLIA-UHFFFAOYSA-N 0 0 451.571 4.455 20 0 JIADRN Cc1cccc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)n1 ZINC001492528607 1066431271 /nfs/dbraw/zinc/43/12/71/1066431271.db2.gz RRCWZSDEMQKDKW-OAQYLSRUSA-N 0 0 494.615 4.198 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ncnn2C(C)(C)C)C[C@@H]1F ZINC001316492558 1066432519 /nfs/dbraw/zinc/43/25/19/1066432519.db2.gz SGYDJXOFPWZSIM-CJNGLKHVSA-N 0 0 482.391 4.353 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2OCCC2(C)C)C[C@H]1C(F)(F)F ZINC001316492775 1066433080 /nfs/dbraw/zinc/43/30/80/1066433080.db2.gz XPQHRTIOATULSG-OLMNPRSZSA-N 0 0 456.484 4.446 20 0 JIADRN COC(=O)c1cc(F)cc(S(=O)(=O)Oc2cc(C(F)(F)F)ccc2Br)c1 ZINC001475526958 1066433213 /nfs/dbraw/zinc/43/32/13/1066433213.db2.gz ZUYBHMIIEFOJRQ-UHFFFAOYSA-N 0 0 457.195 4.161 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1F ZINC001316492797 1066433275 /nfs/dbraw/zinc/43/32/75/1066433275.db2.gz YNICYZPIQYCAFR-RISCZKNCSA-N 0 0 490.864 4.244 20 0 JIADRN CCCNC(=O)[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 ZINC001336244582 1066434274 /nfs/dbraw/zinc/43/42/74/1066434274.db2.gz MFIPJIKXGSMMSD-SFHVURJKSA-N 0 0 456.546 4.346 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCN2CCOCC2)C[C@H](C)C1(F)F ZINC001316493242 1066434804 /nfs/dbraw/zinc/43/48/04/1066434804.db2.gz IXDPANHQECTLQO-CALCHBBNSA-N 0 0 498.416 4.157 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC2(O)CCOCC2)C[C@H](C)C1(F)F ZINC001316493397 1066435056 /nfs/dbraw/zinc/43/50/56/1066435056.db2.gz PYTUPFLBWXBQGI-IYBDPMFKSA-N 0 0 454.949 4.258 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)C(C)(C)C)C[C@H](C)C1(F)F ZINC001316493565 1066435880 /nfs/dbraw/zinc/43/58/80/1066435880.db2.gz YARDCSZHHJCSJE-CALCHBBNSA-N 0 0 470.568 4.383 20 0 JIADRN Cc1cccc(CCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492529030 1066436984 /nfs/dbraw/zinc/43/69/84/1066436984.db2.gz JPLOFORHJDMSQY-UHFFFAOYSA-N 0 0 459.598 4.328 20 0 JIADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1)NC(=O)OC(C)(C)C ZINC001316493885 1066436983 /nfs/dbraw/zinc/43/69/83/1066436983.db2.gz BJJFZJOUBRVTDN-DYESRHJHSA-N 0 0 471.602 4.132 20 0 JIADRN C[C@H]1CN(c2nnc(-c3cccnc3)n2CCCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001316493935 1066437686 /nfs/dbraw/zinc/43/76/86/1066437686.db2.gz BNPWTBQILBPUKA-FQEVSTJZSA-N 0 0 462.598 4.419 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC(F)(F)F)C[C@H](C)C1(F)F ZINC001316494105 1066437996 /nfs/dbraw/zinc/43/79/96/1066437996.db2.gz ABJDTUVHKZPGAX-GASCZTMLSA-N 0 0 482.457 4.452 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)C[C@H](C)C1(F)F ZINC001316494574 1066438523 /nfs/dbraw/zinc/43/85/23/1066438523.db2.gz DVZASZUUIJFBFL-CALCHBBNSA-N 0 0 472.588 4.126 20 0 JIADRN Cc1cccc(CCn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492529721 1066441042 /nfs/dbraw/zinc/44/10/42/1066441042.db2.gz FCBWDVRGXLFTCF-DYESRHJHSA-N 0 0 454.619 4.231 20 0 JIADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC001492529741 1066441138 /nfs/dbraw/zinc/44/11/38/1066441138.db2.gz FWNHNAGEHVODHO-HNNXBMFYSA-N 0 0 475.437 4.101 20 0 JIADRN Cc1nc2scc(-c3ccccc3)c2c(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 ZINC001336643545 1066442368 /nfs/dbraw/zinc/44/23/68/1066442368.db2.gz BXHXLRBUFLQDMY-UHFFFAOYSA-N 0 0 456.515 4.393 20 0 JIADRN CC(=O)N(CCC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)Cc1ccccc1 ZINC001336704868 1066443929 /nfs/dbraw/zinc/44/39/29/1066443929.db2.gz AJTPAFFSABTBOV-UHFFFAOYSA-N 0 0 459.921 4.401 20 0 JIADRN Cc1cccc(CCn2c(C3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1 ZINC001492529909 1066444280 /nfs/dbraw/zinc/44/42/80/1066444280.db2.gz JYEFUVGTBPTZEV-FQEVSTJZSA-N 0 0 452.647 4.261 20 0 JIADRN O=C(CCCc1ccc2c(c1)CC(=O)N2)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001336706732 1066444964 /nfs/dbraw/zinc/44/49/64/1066444964.db2.gz VITSJAKOCLLHAU-UHFFFAOYSA-N 0 0 457.905 4.480 20 0 JIADRN Cc1cccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC[C@@H]2C)c1 ZINC001492530071 1066446250 /nfs/dbraw/zinc/44/62/50/1066446250.db2.gz NYYVAPKMNNWULS-UNMCSNQZSA-N 0 0 469.630 4.169 20 0 JIADRN C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001316496580 1066446287 /nfs/dbraw/zinc/44/62/87/1066446287.db2.gz VVSXJXMJUFOVSJ-IEBWSBKVSA-N 0 0 482.585 4.129 20 0 JIADRN C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001316496833 1066446777 /nfs/dbraw/zinc/44/67/77/1066446777.db2.gz DCCHTFZOTQZHQV-GOSISDBHSA-N 0 0 493.587 4.205 20 0 JIADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccoc1)NC(=O)OC(C)(C)C ZINC001316497028 1066447750 /nfs/dbraw/zinc/44/77/50/1066447750.db2.gz VEAHIICCAIWOOP-BHIYHBOVSA-N 0 0 461.607 4.339 20 0 JIADRN Cc1cccc(CCn2c(-c3cccc(C)n3)nnc2N2CCCN(CC(F)(F)F)CC2)c1 ZINC001492530733 1066448336 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HNEOQDSTFBVXOT-UHFFFAOYSA-N 0 0 480.406 4.484 20 0 JIADRN COc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3ccccc3OC(F)(F)F)CCC(=O)N2C)cc1 ZINC001357526930 1067865386 /nfs/dbraw/zinc/86/53/86/1067865386.db2.gz ZNNDONZYBORVRR-RXVVDRJESA-N 0 0 450.457 4.162 20 0 JIADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 ZINC001357528477 1067865712 /nfs/dbraw/zinc/86/57/12/1067865712.db2.gz CPWBILJNKZUHLT-VWLOTQADSA-N 0 0 457.571 4.054 20 0 JIADRN CCOCCCNC(=O)c1cccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)c1 ZINC001357528505 1067865751 /nfs/dbraw/zinc/86/57/51/1067865751.db2.gz ZNXLGSATJIZODQ-UHFFFAOYSA-N 0 0 458.356 4.268 20 0 JIADRN Cc1cc(Br)cc(C)c1NC(=S)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001200222585 1067865740 /nfs/dbraw/zinc/86/57/40/1067865740.db2.gz TUORWILKWLTZSU-HUUCEWRRSA-N 0 0 451.459 4.283 20 0 JIADRN COc1ccc2c(c1)CC[C@H](NC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C)C2 ZINC001357529889 1067866058 /nfs/dbraw/zinc/86/60/58/1067866058.db2.gz YVZQWXWLESUPGD-FQEVSTJZSA-N 0 0 454.567 4.228 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1OC ZINC001300196798 1067866324 /nfs/dbraw/zinc/86/63/24/1067866324.db2.gz SMALVCNGDFAHMN-HUUCEWRRSA-N 0 0 460.003 4.389 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C2CCC2)c(OC)n1 ZINC001300196940 1067866775 /nfs/dbraw/zinc/86/67/75/1067866775.db2.gz YFXWWGQOFJGMAH-UHFFFAOYSA-N 0 0 476.350 4.296 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC2CCOCC2)cn1 ZINC001300196962 1067866814 /nfs/dbraw/zinc/86/68/14/1067866814.db2.gz YUCHEFBCQFHBFT-UHFFFAOYSA-N 0 0 490.377 4.161 20 0 JIADRN Cc1cc(C(N)=O)ccc1NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001357539317 1067866870 /nfs/dbraw/zinc/86/68/70/1067866870.db2.gz ZCEXHAUHPDIYMM-UHFFFAOYSA-N 0 0 450.539 4.216 20 0 JIADRN Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001357542190 1067867135 /nfs/dbraw/zinc/86/71/35/1067867135.db2.gz FTWFEZHLHFRFNV-UHFFFAOYSA-N 0 0 498.988 4.321 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)cc1Cl 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JIADRN Cc1cc(Br)cc(C)c1NC(=S)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001200228912 1067872588 /nfs/dbraw/zinc/87/25/88/1067872588.db2.gz YXWLSUFBMMGNAQ-UHFFFAOYSA-N 0 0 485.492 4.247 20 0 JIADRN COC(=O)c1ccc(NC(=S)Nc2c(C)cc(Br)cc2C)c(C(=O)OC)c1 ZINC001200228889 1067872641 /nfs/dbraw/zinc/87/26/41/1067872641.db2.gz FWKCMFDLYVVHCK-UHFFFAOYSA-N 0 0 451.342 4.448 20 0 JIADRN COc1ccc(Oc2cc(CNC(=O)[C@H]3CC(c4cccc(Cl)c4F)=NO3)ccn2)cc1 ZINC001357576637 1067873063 /nfs/dbraw/zinc/87/30/63/1067873063.db2.gz QQHWYBOWRSSJGQ-HXUWFJFHSA-N 0 0 455.873 4.484 20 0 JIADRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(Br)cnc1OCC1CC1 ZINC001357576676 1067873103 /nfs/dbraw/zinc/87/31/03/1067873103.db2.gz WISTVKXPCOHYGE-UHFFFAOYSA-N 0 0 458.356 4.398 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C(F)(F)F)c1 ZINC001300201919 1067873225 /nfs/dbraw/zinc/87/32/25/1067873225.db2.gz MUHBANZWQZZYSX-INIZCTEOSA-N 0 0 479.547 4.220 20 0 JIADRN O=C(CC1CCCCC1)NCCNC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001357578444 1067873587 /nfs/dbraw/zinc/87/35/87/1067873587.db2.gz KJUOGAJMMUVVFL-UHFFFAOYSA-N 0 0 450.514 4.359 20 0 JIADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)CC2=O)cc1 ZINC001357586441 1067874159 /nfs/dbraw/zinc/87/41/59/1067874159.db2.gz HRIHEZNMAVYLGI-HOTGVXAUSA-N 0 0 454.596 4.244 20 0 JIADRN O=C(Cc1ccc(Br)c(Cl)c1)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC001357585644 1067874206 /nfs/dbraw/zinc/87/42/06/1067874206.db2.gz SGTWUWOAFRCGFS-UHFFFAOYSA-N 0 0 453.745 4.479 20 0 JIADRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 ZINC001357587859 1067874440 /nfs/dbraw/zinc/87/44/40/1067874440.db2.gz VUTMGWHSLHDCDS-DEOSSOPVSA-N 0 0 457.574 4.448 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC001300202790 1067874522 /nfs/dbraw/zinc/87/45/22/1067874522.db2.gz SNTWZPWFMPOOSH-IBGZPJMESA-N 0 0 496.587 4.196 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC1(O)CCCCC1 ZINC001492558130 1067875110 /nfs/dbraw/zinc/87/51/10/1067875110.db2.gz 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CC(C)(C)OC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001359560664 1069884020 /nfs/dbraw/zinc/88/40/20/1069884020.db2.gz FKKHUBYIBRHYKB-QGZVFWFLSA-N 0 0 495.546 4.489 20 0 JIADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCCC2(C)C)n1CCOc1cccc(F)c1 ZINC001359560925 1069884519 /nfs/dbraw/zinc/88/45/19/1069884519.db2.gz KFDAGZOJOQNEFU-HXUWFJFHSA-N 0 0 489.592 4.183 20 0 JIADRN CC(C)(C)OC(=O)NC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCCCCCC2)COC1 ZINC001359562169 1069887008 /nfs/dbraw/zinc/88/70/08/1069887008.db2.gz QQPFHFCPKONTTC-UHFFFAOYSA-N 0 0 473.593 4.072 20 0 JIADRN CC(C)(C)OC(=O)Nc1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCCC2(C)C)c1 ZINC001359562284 1069887017 /nfs/dbraw/zinc/88/70/17/1069887017.db2.gz VIKUPMRHHPTKDW-UHFFFAOYSA-N 0 0 482.629 4.483 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCc2ccc(F)c(F)c2)C1 ZINC001359562508 1069887778 /nfs/dbraw/zinc/88/77/78/1069887778.db2.gz CVJOJKUVNAHVGN-IBGZPJMESA-N 0 0 484.551 4.355 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)cc2)C1 ZINC001359562641 1069888253 /nfs/dbraw/zinc/88/82/53/1069888253.db2.gz JITNCQJMNGEMQH-VQTJNVASSA-N 0 0 459.566 4.201 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCc2c(F)cccc2F)C1 ZINC001359562610 1069888315 /nfs/dbraw/zinc/88/83/15/1069888315.db2.gz IIYBMJBRFFPMDD-INIZCTEOSA-N 0 0 472.540 4.288 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C/C=C\c2ccccc2)C1 ZINC001359562925 1069888939 /nfs/dbraw/zinc/88/89/39/1069888939.db2.gz VMMIYCAXWQHHIJ-TZCKBEDOSA-N 0 0 474.609 4.471 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(F)(F)F)C1 ZINC001359563271 1069889679 /nfs/dbraw/zinc/88/96/79/1069889679.db2.gz IFVXDOLMEJAFRS-OAHLLOKOSA-N 0 0 483.491 4.120 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C2CC2)C1 ZINC001359563247 1069889713 /nfs/dbraw/zinc/88/97/13/1069889713.db2.gz HGENWIOXEVKBQY-CYBMUJFWSA-N 0 0 466.355 4.285 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)CCCS2)C1 ZINC001359563319 1069890222 /nfs/dbraw/zinc/89/02/22/1069890222.db2.gz JTEPRLULKLOSKW-AOMKIAJQSA-N 0 0 479.050 4.383 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)C1 ZINC001359563590 1069890981 /nfs/dbraw/zinc/89/09/81/1069890981.db2.gz SWCGDHACTPPYGS-KDYSTLNUSA-N 0 0 499.656 4.152 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(Cl)s2)C1 ZINC001359563873 1069892418 /nfs/dbraw/zinc/89/24/18/1069892418.db2.gz AUHAKPANGCUKHJ-INIZCTEOSA-N 0 0 475.018 4.131 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001359564153 1069892759 /nfs/dbraw/zinc/89/27/59/1069892759.db2.gz IMYLZVDDDBCULK-IBGZPJMESA-N 0 0 498.603 4.445 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(F)cc2Cl)C1 ZINC001359563977 1069892785 /nfs/dbraw/zinc/89/27/85/1069892785.db2.gz CVDGQOPMZRFAOR-HKUYNNGSSA-N 0 0 494.011 4.311 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCSC2)C1 ZINC001359563948 1069892833 /nfs/dbraw/zinc/89/28/33/1069892833.db2.gz CMXKHSQIHOLJJQ-IAGOWNOFSA-N 0 0 493.624 4.394 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccsc2)C1 ZINC001359564228 1069893316 /nfs/dbraw/zinc/89/33/16/1069893316.db2.gz KNJUBARPDHSUEE-SFHVURJKSA-N 0 0 457.575 4.221 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccc(Cl)cc2)C1 ZINC001359564671 1069894088 /nfs/dbraw/zinc/89/40/88/1069894088.db2.gz UTNFTXBGDURTNB-KRWDZBQOSA-N 0 0 472.977 4.109 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C/C=C/c2ccccc2)C1 ZINC001359564773 1069894138 /nfs/dbraw/zinc/89/41/38/1069894138.db2.gz XBSJAEBYRQTMPR-LGQHIAMJSA-N 0 0 453.587 4.337 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCOc2cccc(Cl)c2)C1 ZINC001359565180 1069894841 /nfs/dbraw/zinc/89/48/41/1069894841.db2.gz JNYXJPACLZRIHA-HXUWFJFHSA-N 0 0 499.015 4.100 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001359565268 1069895241 /nfs/dbraw/zinc/89/52/41/1069895241.db2.gz LRMRMPDDAFAZTN-FUHWJXTLSA-N 0 0 477.560 4.054 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001359565380 1069895941 /nfs/dbraw/zinc/89/59/41/1069895941.db2.gz OULPJAMESCAMMJ-UHFFFAOYSA-N 0 0 497.644 4.043 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001359565702 1069897185 /nfs/dbraw/zinc/89/71/85/1069897185.db2.gz YZFCEVXDNUTFNF-RUZDIDTESA-N 0 0 461.651 4.055 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccn1 ZINC001359565756 1069897583 /nfs/dbraw/zinc/89/75/83/1069897583.db2.gz ANEISIMKCOJKSQ-HNNXBMFYSA-N 0 0 496.469 4.020 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCCOC2CCOCC2)C1 ZINC001359565846 1069898055 /nfs/dbraw/zinc/89/80/55/1069898055.db2.gz CRJAQESZVYVMDI-NRFANRHFSA-N 0 0 499.656 4.272 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)C1 ZINC001359565949 1069898295 /nfs/dbraw/zinc/89/82/95/1069898295.db2.gz GAZNPTRABUDVGV-OAHLLOKOSA-N 0 0 486.564 4.334 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2=CCCCC2)C1 ZINC001359566132 1069899190 /nfs/dbraw/zinc/89/91/90/1069899190.db2.gz JZRJLWJGDWBXJH-FQEVSTJZSA-N 0 0 495.628 4.167 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccco1 ZINC001359566084 1069899212 /nfs/dbraw/zinc/89/92/12/1069899212.db2.gz IUVVQDILHGOJJB-IRXDYDNUSA-N 0 0 481.544 4.267 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001359566180 1069899525 /nfs/dbraw/zinc/89/95/25/1069899525.db2.gz KXZRYROMFXRTQS-ZJPYXAASSA-N 0 0 497.631 4.449 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCCN2CCCCC2=O)C1 ZINC001359566182 1069899563 /nfs/dbraw/zinc/89/95/63/1069899563.db2.gz KYLVHMSDOPXWOG-FQEVSTJZSA-N 0 0 488.677 4.079 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCC2(O)CCC2)C1 ZINC001359567147 1069908864 /nfs/dbraw/zinc/90/88/64/1069908864.db2.gz IZOOJYFNVNINGZ-HXUWFJFHSA-N 0 0 461.651 4.057 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC2(O)CCCC2)C1 ZINC001359567153 1069908949 /nfs/dbraw/zinc/90/89/49/1069908949.db2.gz JDAIRDWUETUJOF-QFIPXVFZSA-N 0 0 483.657 4.110 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCOC2)CC1 ZINC001359567261 1069909523 /nfs/dbraw/zinc/90/95/23/1069909523.db2.gz LRYZLKSPZXPCTB-LJQANCHMSA-N 0 0 473.593 4.252 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC23CCOCC3)CC1 ZINC001359567327 1069911219 /nfs/dbraw/zinc/91/12/19/1069911219.db2.gz MYZDNIKROVETLL-IBGZPJMESA-N 0 0 461.651 4.133 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(Cn3cccn3)cc2)C1 ZINC001359567382 1069912657 /nfs/dbraw/zinc/91/26/57/1069912657.db2.gz ODDBEBJYYGXLGD-JOCHJYFZSA-N 0 0 493.656 4.220 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CC(F)(F)F)C1 ZINC001359567671 1069916545 /nfs/dbraw/zinc/91/65/45/1069916545.db2.gz USDOVJHPNUKSHM-HNNXBMFYSA-N 0 0 487.498 4.300 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(F)c2)C1 ZINC001359567741 1069918005 /nfs/dbraw/zinc/91/80/05/1069918005.db2.gz WFKCUYLANBPDOT-SFTDATJTSA-N 0 0 487.620 4.295 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC2(C)C)C1 ZINC001359567916 1069918544 /nfs/dbraw/zinc/91/85/44/1069918544.db2.gz ZIDXRWNQLRPDFD-PMACEKPBSA-N 0 0 454.619 4.051 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCS2)C1 ZINC001359567841 1069918897 /nfs/dbraw/zinc/91/88/97/1069918897.db2.gz XZJIJABOZQYHOV-IPMKNSEASA-N 0 0 465.664 4.156 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(CC3CC3)n2CCc2ccc(Cl)cc2)C1 ZINC001359568588 1069923174 /nfs/dbraw/zinc/92/31/74/1069923174.db2.gz ONNWCZDPDDROMO-IBGZPJMESA-N 0 0 460.022 4.478 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccccc2)CC1 ZINC001359568642 1069924907 /nfs/dbraw/zinc/92/49/07/1069924907.db2.gz PQSIYRXEBOJQRJ-QFIPXVFZSA-N 0 0 485.629 4.340 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001359568833 1069925969 /nfs/dbraw/zinc/92/59/69/1069925969.db2.gz TWTNDNFQIKFQHZ-JOCHJYFZSA-N 0 0 466.630 4.361 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2cc(F)cc(F)c2)C1 ZINC001359568988 1069926524 /nfs/dbraw/zinc/92/65/24/1069926524.db2.gz XFTHONZCTRLSNN-FQEVSTJZSA-N 0 0 498.578 4.136 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC2CC2)CCO1 ZINC001359569231 1069927951 /nfs/dbraw/zinc/92/79/51/1069927951.db2.gz CXLIOGSWAYOSPI-QGZVFWFLSA-N 0 0 461.994 4.129 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC2CCOCC2)C1 ZINC001359569083 1069928100 /nfs/dbraw/zinc/92/81/00/1069928100.db2.gz ZQPUSXNHSWNPJB-HXUWFJFHSA-N 0 0 487.620 4.176 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC001359569104 1069928158 /nfs/dbraw/zinc/92/81/58/1069928158.db2.gz AGANILKBPSRBGV-UWHLTILDSA-N 0 0 491.677 4.322 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CC(F)(F)c2ccccc2)CCO1 ZINC001359569560 1069929803 /nfs/dbraw/zinc/92/98/03/1069929803.db2.gz KGKUVIDVWRBYQZ-FQEVSTJZSA-N 0 0 491.583 4.458 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(C(C)(F)F)cc2)CCO1 ZINC001359570060 1069932474 /nfs/dbraw/zinc/93/24/74/1069932474.db2.gz VIWPHOHMYKIEHY-HXUWFJFHSA-N 0 0 491.583 4.436 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001359570396 1069933317 /nfs/dbraw/zinc/93/33/17/1069933317.db2.gz BLSVLCRCMSCRLA-RTBURBONSA-N 0 0 483.604 4.349 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001359570188 1069933503 /nfs/dbraw/zinc/93/35/03/1069933503.db2.gz XQTPPSYFSFEPPH-JOCHJYFZSA-N 0 0 499.656 4.146 20 0 JIADRN 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ZINC001315483405 1064348681 /nfs/dbraw/zinc/34/86/81/1064348681.db2.gz NOULXZNNVAKXAC-UHFFFAOYSA-N 0 0 485.507 4.396 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)cc1F ZINC001315484511 1064352558 /nfs/dbraw/zinc/35/25/58/1064352558.db2.gz MGXJGVFVPXTUEN-UHFFFAOYSA-N 0 0 452.534 4.138 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(F)F)C2)cn1 ZINC001315484603 1064352589 /nfs/dbraw/zinc/35/25/89/1064352589.db2.gz PWKVHNBFDYMWDS-GOSISDBHSA-N 0 0 470.524 4.081 20 0 JIADRN COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2cccs2)cc1OC(F)F ZINC001315484385 1064352650 /nfs/dbraw/zinc/35/26/50/1064352650.db2.gz YEAMWUOATKBYNP-OAHLLOKOSA-N 0 0 491.564 4.431 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N2CCC(n3cc(Cl)cn3)CC2)c(C(F)(F)F)c1 ZINC001315485575 1064354687 /nfs/dbraw/zinc/35/46/87/1064354687.db2.gz DKSJUWGQYYYFAN-UHFFFAOYSA-N 0 0 454.884 4.354 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1F ZINC001315485692 1064355597 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DTXDPFNSEJRHQY-QHCPKHFHSA-N 0 0 459.497 4.004 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](OC)C2)c(OC)n1 ZINC001315486588 1064358304 /nfs/dbraw/zinc/35/83/04/1064358304.db2.gz HKXYJMBZPZKEPR-OAQYLSRUSA-N 0 0 465.598 4.318 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001315486785 1064359018 /nfs/dbraw/zinc/35/90/18/1064359018.db2.gz JULHNIMEJAWNGI-QGZVFWFLSA-N 0 0 467.570 4.349 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2C)cn1 ZINC001315486902 1064359080 /nfs/dbraw/zinc/35/90/80/1064359080.db2.gz FCMNBNKNDUAIPP-UHFFFAOYSA-N 0 0 457.332 4.025 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001315486910 1064360050 /nfs/dbraw/zinc/36/00/50/1064360050.db2.gz FNKALXLGSHPUIM-FQEVSTJZSA-N 0 0 499.015 4.496 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2C)cn1 ZINC001315487089 1064360429 /nfs/dbraw/zinc/36/04/29/1064360429.db2.gz BYLHWIRYTWEXHV-FQEVSTJZSA-N 0 0 475.597 4.165 20 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KOGJUICZPBQKSP-MRXNPFEDSA-N 0 0 476.553 4.115 20 0 JIADRN COc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)CC[C@H]2C)cc1Br ZINC001315494134 1064382316 /nfs/dbraw/zinc/38/23/16/1064382316.db2.gz PDXOUXKUZRRNPN-LSDHHAIUSA-N 0 0 457.376 4.179 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC001315494168 1064382349 /nfs/dbraw/zinc/38/23/49/1064382349.db2.gz GRWFTWANPZMMPP-WIYYLYMNSA-N 0 0 489.592 4.067 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC2)cc1O ZINC001315494302 1064383005 /nfs/dbraw/zinc/38/30/05/1064383005.db2.gz IEJHFHMIQWKCFF-IBGZPJMESA-N 0 0 471.602 4.001 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2)cn1 ZINC001315494617 1064384546 /nfs/dbraw/zinc/38/45/46/1064384546.db2.gz MJKWJEGQVZZZBP-QFIPXVFZSA-N 0 0 492.624 4.481 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C)=C(Br)C2)c(OC)c1 ZINC001315494723 1064384749 /nfs/dbraw/zinc/38/47/49/1064384749.db2.gz AOBHFDGVMDYEER-KRWDZBQOSA-N 0 0 477.403 4.117 20 0 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KEOAYOSSWBDNEP-YADARESESA-N 0 0 479.691 4.153 20 0 JIADRN Cc1cccc(-c2nnc(Nc3cnn(CC4CCC4)c3)n2CC(F)(F)Br)n1 ZINC001492522622 1066390488 /nfs/dbraw/zinc/39/04/88/1066390488.db2.gz XYUCLYGOOSZRBE-UHFFFAOYSA-N 0 0 452.307 4.376 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)n2CCSC(F)(F)F)n1 ZINC001492522494 1066390559 /nfs/dbraw/zinc/39/05/59/1066390559.db2.gz TXDCLZKTDRYTCS-IYBDPMFKSA-N 0 0 498.575 4.205 20 0 JIADRN CSCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001316478331 1066390720 /nfs/dbraw/zinc/39/07/20/1066390720.db2.gz LGWSSLTZPUBLKY-UHFFFAOYSA-N 0 0 470.643 4.018 20 0 JIADRN COc1cccc([C@@H](NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c2nccn2C)c1 ZINC001333817779 1066390752 /nfs/dbraw/zinc/39/07/52/1066390752.db2.gz XEBQZOGATIOPNP-RUZDIDTESA-N 0 0 480.572 4.358 20 0 JIADRN CSCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001316478717 1066391445 /nfs/dbraw/zinc/39/14/45/1066391445.db2.gz GZDFEFNGAJPJQT-FQEVSTJZSA-N 0 0 459.660 4.013 20 0 JIADRN CSCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001316478556 1066391462 /nfs/dbraw/zinc/39/14/62/1066391462.db2.gz DLGHTOIJLWHHCD-UHFFFAOYSA-N 0 0 498.480 4.366 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](N3CCOCC3)C(F)(F)F)C2)c1 ZINC001492522932 1066391765 /nfs/dbraw/zinc/39/17/65/1066391765.db2.gz GESCPSUWOQHUNW-UXHICEINSA-N 0 0 465.564 4.141 20 0 JIADRN CSCCCn1c(COc2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001316479113 1066392239 /nfs/dbraw/zinc/39/22/39/1066392239.db2.gz QFKVJCGQVGNPBH-UHFFFAOYSA-N 0 0 475.565 4.331 20 0 JIADRN CSCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001316479328 1066393116 /nfs/dbraw/zinc/39/31/16/1066393116.db2.gz ZQFUKOGQBFWJLV-GOSISDBHSA-N 0 0 494.731 4.470 20 0 JIADRN CCN(CC)S(=O)(=O)c1cccc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1 ZINC001334082204 1066393061 /nfs/dbraw/zinc/39/30/61/1066393061.db2.gz NPDPFVQAYPQJFU-HXUWFJFHSA-N 0 0 486.594 4.381 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccn2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001316479683 1066393616 /nfs/dbraw/zinc/39/36/16/1066393616.db2.gz FBIBZYMEAYZSEG-GHTZIAJQSA-N 0 0 482.595 4.342 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1O ZINC001316479997 1066393776 /nfs/dbraw/zinc/39/37/76/1066393776.db2.gz IQYAUFPKOLGKRB-GCJKJVERSA-N 0 0 480.613 4.005 20 0 JIADRN CC(C)(C)OC(=O)N[C@H](c1noc([C@H](CCS(C)(=O)=O)c2ccccc2)n1)c1ccccc1 ZINC001334086813 1066393903 /nfs/dbraw/zinc/39/39/03/1066393903.db2.gz VIIVZBJCGMGLJP-UXHICEINSA-N 0 0 471.579 4.250 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)c2ccccn2)C[C@@H]1O ZINC001316479799 1066393988 /nfs/dbraw/zinc/39/39/88/1066393988.db2.gz DFCFXVSTASUHLE-BEFAXECRSA-N 0 0 488.405 4.427 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCC2(C)C)C[C@@H]1O ZINC001316480029 1066394336 /nfs/dbraw/zinc/39/43/36/1066394336.db2.gz IWNZFIHELKVUIO-VKJFTORMSA-N 0 0 450.425 4.080 20 0 JIADRN 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ZCBKYVVFONTORV-UHFFFAOYSA-N 0 0 459.568 4.015 20 0 JIADRN COc1ccc(NS(=O)(=O)c2cccc(-c3nc(C(C)(C)OC)no3)c2)cc1Br ZINC001334875186 1066403700 /nfs/dbraw/zinc/40/37/00/1066403700.db2.gz XHAQJBXULOQYMA-UHFFFAOYSA-N 0 0 482.356 4.190 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 ZINC001316485008 1066405018 /nfs/dbraw/zinc/40/50/18/1066405018.db2.gz BNCWAXZZINUBOS-VAMGGRTRSA-N 0 0 461.651 4.444 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCS(=O)CC2)n1 ZINC001492525503 1066405780 /nfs/dbraw/zinc/40/57/80/1066405780.db2.gz SLKCBPVPMLMBBF-UHFFFAOYSA-N 0 0 451.640 4.148 20 0 JIADRN C[C@@H]1CCN(c2nnc(C3CCCC3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC001316486137 1066406719 /nfs/dbraw/zinc/40/67/19/1066406719.db2.gz WAXMHFFNTMWFIU-QAPCUYQASA-N 0 0 452.525 4.059 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1csc(Br)c1 ZINC001316486070 1066406855 /nfs/dbraw/zinc/40/68/55/1066406855.db2.gz RHLCCJNKOOOREI-RHSMWYFYSA-N 0 0 462.417 4.149 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1O ZINC001316486284 1066406898 /nfs/dbraw/zinc/40/68/98/1066406898.db2.gz XMEXSYJLMBMLHO-ABAIWWIYSA-N 0 0 489.329 4.260 20 0 JIADRN Cc1cccc(CCCn2c(-c3cccc(Br)c3)nnc2N(C)CC(=O)NC(C)(C)C)n1 ZINC001492525657 1066406946 /nfs/dbraw/zinc/40/69/46/1066406946.db2.gz VCFCPRBEISSPQD-UHFFFAOYSA-N 0 0 499.457 4.395 20 0 JIADRN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@@](C)(O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001316486434 1066406970 /nfs/dbraw/zinc/40/69/70/1066406970.db2.gz CXKJJXHVSROFRZ-NIYFSFCBSA-N 0 0 471.646 4.319 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)C[C@H]1C(F)(F)F ZINC001316486475 1066407721 /nfs/dbraw/zinc/40/77/21/1066407721.db2.gz BCFLNOMHEIVFRT-CXAGYDPISA-N 0 0 455.912 4.292 20 0 JIADRN COc1ccc(-c2nn(CN3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC001335299044 1066408173 /nfs/dbraw/zinc/40/81/73/1066408173.db2.gz GRACSKQHKATBPR-UPVQGACJSA-N 0 0 491.661 4.363 20 0 JIADRN Fc1ccccc1N1CCCN(Cn2nc(-c3ccncc3)n(CC(F)(F)F)c2=S)CC1 ZINC001335301836 1066409186 /nfs/dbraw/zinc/40/91/86/1066409186.db2.gz ZBYYBYALNCQPAD-UHFFFAOYSA-N 0 0 466.508 4.347 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOCc1ccccc1 ZINC001316487312 1066409472 /nfs/dbraw/zinc/40/94/72/1066409472.db2.gz LIBVTBHNZUTNKA-AKIFATBCSA-N 0 0 499.656 4.428 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001316487348 1066409685 /nfs/dbraw/zinc/40/96/85/1066409685.db2.gz MVQKDGDIGXCNTI-MLGOLLRUSA-N 0 0 474.409 4.260 20 0 JIADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C/c2ccccc2)C[C@H]1C(F)(F)F ZINC001316487193 1066409963 /nfs/dbraw/zinc/40/99/63/1066409963.db2.gz IIAAKBXVOLURMT-HQWTUQCVSA-N 0 0 456.472 4.273 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001316487541 1066410739 /nfs/dbraw/zinc/41/07/39/1066410739.db2.gz PZJIASMTQUUSIZ-GOSISDBHSA-N 0 0 468.577 4.491 20 0 JIADRN Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)OC(C)(C)C2)n1 ZINC001492525801 1066412334 /nfs/dbraw/zinc/41/23/34/1066412334.db2.gz YMFHUUFDIWRUNE-KRWDZBQOSA-N 0 0 487.446 4.386 20 0 JIADRN Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001492525831 1066412713 /nfs/dbraw/zinc/41/27/13/1066412713.db2.gz IPZSLCOZSNPSCL-FCHUYYIVSA-N 0 0 498.672 4.249 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1F ZINC001316487870 1066412808 /nfs/dbraw/zinc/41/28/08/1066412808.db2.gz UTSQGBSGFNRRMT-QRVBRYPASA-N 0 0 458.582 4.314 20 0 JIADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC001316488010 1066413096 /nfs/dbraw/zinc/41/30/96/1066413096.db2.gz RGVGCHCUHGDKFS-RHSMWYFYSA-N 0 0 478.906 4.456 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F ZINC001316488067 1066413803 /nfs/dbraw/zinc/41/38/03/1066413803.db2.gz XYIIOTBRESMLCF-KBAYOESNSA-N 0 0 480.535 4.374 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[S@](=O)C(C)(C)C)C[C@@H]1F ZINC001316488182 1066414019 /nfs/dbraw/zinc/41/40/19/1066414019.db2.gz XWRUZFRYHHLLTM-HFAJPBBRSA-N 0 0 457.413 4.049 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1F ZINC001316488318 1066414769 /nfs/dbraw/zinc/41/47/69/1066414769.db2.gz IGITUPSQASJLKT-KDOFPFPSSA-N 0 0 459.367 4.011 20 0 JIADRN Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492526697 1066416396 /nfs/dbraw/zinc/41/63/96/1066416396.db2.gz IRRBWEMODFYTOA-NRFANRHFSA-N 0 0 456.635 4.306 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cn2)C[C@H]1C(F)(F)F ZINC001316488625 1066416530 /nfs/dbraw/zinc/41/65/30/1066416530.db2.gz PCUBSPMYUXQDNG-IAQYHMDHSA-N 0 0 487.299 4.263 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccs2)C[C@H]1C(F)(F)F ZINC001316488650 1066417326 /nfs/dbraw/zinc/41/73/26/1066417326.db2.gz PYKXFOUJQHXPKH-CXAGYDPISA-N 0 0 470.542 4.093 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2[C@@H]2C[C@H]2CF)CCN1C(=O)OC(C)(C)C ZINC001316488913 1066418339 /nfs/dbraw/zinc/41/83/39/1066418339.db2.gz XVIBBGJTWRHTGF-IJEWVQPXSA-N 0 0 497.413 4.022 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CCCC3)n2CCOc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001316489300 1066420213 /nfs/dbraw/zinc/42/02/13/1066420213.db2.gz LLADUMUANVSUIT-LJQANCHMSA-N 0 0 455.603 4.460 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001316489350 1066420499 /nfs/dbraw/zinc/42/04/99/1066420499.db2.gz MRDAEIPZOPNQFC-WMIGDMCZSA-N 0 0 456.484 4.201 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001316490355 1066423844 /nfs/dbraw/zinc/42/38/44/1066423844.db2.gz RQRMYLIWLLSMOT-WOJBJXKFSA-N 0 0 452.603 4.066 20 0 JIADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC001316490396 1066424153 /nfs/dbraw/zinc/42/41/53/1066424153.db2.gz TXPJRQSRJGQGCT-WIYYLYMNSA-N 0 0 479.591 4.382 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C(F)(F)F ZINC001316490931 1066425917 /nfs/dbraw/zinc/42/59/17/1066425917.db2.gz DVCGAHBWLDELNQ-BRWVUGGUSA-N 0 0 495.550 4.017 20 0 JIADRN Cc1cccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCCN(C(=O)C(C)C)CC2)c1 ZINC001492528141 1066429315 /nfs/dbraw/zinc/42/93/15/1066429315.db2.gz FDFVAFQBYJKJNR-UHFFFAOYSA-N 0 0 499.457 4.282 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccnc2)C[C@H]1C(F)(F)F ZINC001316492505 1066430953 /nfs/dbraw/zinc/43/09/53/1066430953.db2.gz NCXXLKMERUXSJF-OQIJWPOYSA-N 0 0 494.562 4.321 20 0 JIADRN Cc1cccc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CCC(N)=O)CC2)n1 ZINC001492528535 1066431140 /nfs/dbraw/zinc/43/11/40/1066431140.db2.gz QIMCXBQRDZBNHM-QFIPXVFZSA-N 0 0 490.652 4.463 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001316493008 1066434150 /nfs/dbraw/zinc/43/41/50/1066434150.db2.gz YPUUQGJTRVQXST-WIYYLYMNSA-N 0 0 473.593 4.347 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)C[C@H](C)C1(F)F ZINC001316493039 1066434226 /nfs/dbraw/zinc/43/42/26/1066434226.db2.gz ABCKBDVNTZVJDQ-XHSDSOJGSA-N 0 0 472.989 4.293 20 0 JIADRN Cc1cccc(CCn2c(-c3ccccn3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492528791 1066435727 /nfs/dbraw/zinc/43/57/27/1066435727.db2.gz DNBHACFNLGQTOM-VQTJNVASSA-N 0 0 477.613 4.026 20 0 JIADRN Cc1cccc(CCn2c(-c3cccnc3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC001492528997 1066436613 /nfs/dbraw/zinc/43/66/13/1066436613.db2.gz IRZRTSOXEOURIC-HXUWFJFHSA-N 0 0 491.640 4.416 20 0 JIADRN Cc1cccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC001492529038 1066436739 /nfs/dbraw/zinc/43/67/39/1066436739.db2.gz JSIPIAOZVRZARP-SFHVURJKSA-N 0 0 480.922 4.487 20 0 JIADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1)NC(=O)OC(C)(C)C ZINC001316493812 1066436852 /nfs/dbraw/zinc/43/68/52/1066436852.db2.gz ADVXXYRCYUJCTE-MJGOQNOKSA-N 0 0 492.665 4.500 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cn2)C[C@H](C)C1(F)F ZINC001316494787 1066439543 /nfs/dbraw/zinc/43/95/43/1066439543.db2.gz OSOWWONHNLWFLT-GASCZTMLSA-N 0 0 450.921 4.139 20 0 JIADRN Cc1cccc(CCn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492529394 1066439828 /nfs/dbraw/zinc/43/98/28/1066439828.db2.gz TZOWBPJCLQGRDE-IYBDPMFKSA-N 0 0 474.378 4.406 20 0 JIADRN C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1nccs1)NC(=O)OC(C)(C)C ZINC001316495099 1066440695 /nfs/dbraw/zinc/44/06/95/1066440695.db2.gz BCMYDNRGPSZKRQ-MRXNPFEDSA-N 0 0 494.625 4.341 20 0 JIADRN C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(C)(C)O)CCN1C(=O)OC(C)(C)C ZINC001316495372 1066441144 /nfs/dbraw/zinc/44/11/44/1066441144.db2.gz GPYZQVFYDJXREW-HNNXBMFYSA-N 0 0 482.000 4.344 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCCc2ccccc2)C[C@H](C)C1(F)F ZINC001316495399 1066441628 /nfs/dbraw/zinc/44/16/28/1066441628.db2.gz HGZPDPFSOBLRDX-CALCHBBNSA-N 0 0 488.970 4.080 20 0 JIADRN CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cc(OC)nc2ccccc12 ZINC001336668306 1066442004 /nfs/dbraw/zinc/44/20/04/1066442004.db2.gz AOXUTNPYQKKNHF-UHFFFAOYSA-N 0 0 463.538 4.032 20 0 JIADRN C[C@@H](NC(=O)CCC(=O)Nc1ccc2ncccc2c1)C(=O)c1ccc(Br)cc1 ZINC001336682864 1066442347 /nfs/dbraw/zinc/44/23/47/1066442347.db2.gz YZQWUCRFZHIDBE-CQSZACIVSA-N 0 0 454.324 4.104 20 0 JIADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2nccs2)CC1)NC(=O)OC(C)(C)C ZINC001316495986 1066444229 /nfs/dbraw/zinc/44/42/29/1066444229.db2.gz BFCXWSRFEIMJQI-AEFFLSMTSA-N 0 0 476.647 4.273 20 0 JIADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001316496975 1066447557 /nfs/dbraw/zinc/44/75/57/1066447557.db2.gz ZZBLBRAKWICDQU-HUUCEWRRSA-N 0 0 454.497 4.032 20 0 JIADRN Cc1cccc(CCn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)CCC(F)(F)F)c1 ZINC001492530731 1066448218 /nfs/dbraw/zinc/44/82/18/1066448218.db2.gz ZQPQRCCCEWPRLQ-UHFFFAOYSA-N 0 0 480.560 4.178 20 0 JIADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCCOc1ccccc1)NC(=O)OC(C)(C)C ZINC001316497504 1066449285 /nfs/dbraw/zinc/44/92/85/1066449285.db2.gz GVLCWCOTVIULII-TZIWHRDSSA-N 0 0 473.618 4.338 20 0 JIADRN C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1)NC(=O)OC(C)(C)C ZINC001316497558 1066449339 /nfs/dbraw/zinc/44/93/39/1066449339.db2.gz HMVHZNDJUORMGD-UYAOXDASSA-N 0 0 497.619 4.039 20 0 JIADRN Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC001492531106 1066450225 /nfs/dbraw/zinc/45/02/25/1066450225.db2.gz SCZUYVMMJOHOBM-UHFFFAOYSA-N 0 0 450.606 4.274 20 0 JIADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001316498151 1066452689 /nfs/dbraw/zinc/45/26/89/1066452689.db2.gz XNGQJWQMQOEERY-HXUWFJFHSA-N 0 0 496.656 4.087 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC001337046836 1066455417 /nfs/dbraw/zinc/45/54/17/1066455417.db2.gz JDBXDIBDNHMZON-LBPRGKRZSA-N 0 0 493.887 4.102 20 0 JIADRN CC(C)c1ccc([C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c2cccs2)cc1 ZINC001337046512 1066455639 /nfs/dbraw/zinc/45/56/39/1066455639.db2.gz GGHWMIMDXVBVTA-QHCPKHFHSA-N 0 0 457.621 4.489 20 0 JIADRN NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001337093387 1066457569 /nfs/dbraw/zinc/45/75/69/1066457569.db2.gz GOEBWTXEHSWXCT-UHFFFAOYSA-N 0 0 468.600 4.315 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H](C)C1(F)F ZINC001316499979 1066458611 /nfs/dbraw/zinc/45/86/11/1066458611.db2.gz MCRVMKZFFZFIHI-QEOTZNIISA-N 0 0 498.562 4.276 20 0 JIADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2ccsc2)c1)c1ccccc1 ZINC001337131697 1066459178 /nfs/dbraw/zinc/45/91/78/1066459178.db2.gz ZQVKHBFHVDDJBA-QGZVFWFLSA-N 0 0 466.588 4.285 20 0 JIADRN Cc1ccc(N(Cc2ccccc2)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 ZINC001337123064 1066459532 /nfs/dbraw/zinc/45/95/32/1066459532.db2.gz RTVNNDPCMFNRAM-UHFFFAOYSA-N 0 0 490.629 4.298 20 0 JIADRN 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Cc1cccc(OCc2nnc(N3CCOCC4(CC4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001492549267 1067210328 /nfs/dbraw/zinc/21/03/28/1067210328.db2.gz VXPACUMUZDZEML-UHFFFAOYSA-N 0 0 485.629 4.086 20 0 JIADRN Cc1ccccc1Cc1nnc(N(C)CCn2cccn2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492578430 1067211393 /nfs/dbraw/zinc/21/13/93/1067211393.db2.gz JJQYTKXHDGMALP-UHFFFAOYSA-N 0 0 459.598 4.131 20 0 JIADRN CO[C@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001300738463 1067211593 /nfs/dbraw/zinc/21/15/93/1067211593.db2.gz LXOVNWUTQRFQDT-QRQLOZEOSA-N 0 0 491.036 4.254 20 0 JIADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Br)cc1C(N)=O ZINC001321796855 1067212430 /nfs/dbraw/zinc/21/24/30/1067212430.db2.gz BFAFANVCNRXWHG-UHFFFAOYSA-N 0 0 464.323 4.232 20 0 JIADRN Cc1ccccc1Cc1nnc(N(C[C@H]2CCOC2)C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492578512 1067212758 /nfs/dbraw/zinc/21/27/58/1067212758.db2.gz MAIHDYNNXVUCJR-LEWJYISDSA-N 0 0 483.657 4.438 20 0 JIADRN NC(=O)c1cc(Br)ccc1NC(=O)CCCOc1cccc(Br)c1 ZINC001321799285 1067213238 /nfs/dbraw/zinc/21/32/38/1067213238.db2.gz YMBYMPSDKUHZAQ-UHFFFAOYSA-N 0 0 456.134 4.108 20 0 JIADRN COC(=O)CCOc1ccc(NC(=O)Cn2c3ccccc3nc2-c2scnc2C)cc1 ZINC001351815608 1067213898 /nfs/dbraw/zinc/21/38/98/1067213898.db2.gz MYVXFOWRZOOWRL-UHFFFAOYSA-N 0 0 450.520 4.049 20 0 JIADRN CCCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001351815818 1067214125 /nfs/dbraw/zinc/21/41/25/1067214125.db2.gz OWVGDHSJUFBWSP-KRWDZBQOSA-N 0 0 450.988 4.160 20 0 JIADRN O=C(CNC(=S)Nc1c(F)cc(Br)cc1Br)Nc1ccc(F)cc1 ZINC001200803559 1067214317 /nfs/dbraw/zinc/21/43/17/1067214317.db2.gz AWTRXGRQYPSQMV-UHFFFAOYSA-N 0 0 479.144 4.415 20 0 JIADRN COC(=O)c1c2c(sc1NC(=O)c1cncc(Cl)c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001351817848 1067215393 /nfs/dbraw/zinc/21/53/93/1067215393.db2.gz SIFFUWFCLQPXOW-UHFFFAOYSA-N 0 0 451.932 4.129 20 0 JIADRN Cc1cc(I)cc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC001351820533 1067215598 /nfs/dbraw/zinc/21/55/98/1067215598.db2.gz MFMWFCOKSUINBV-MRXNPFEDSA-N 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)s1 ZINC001321844960 1067218851 /nfs/dbraw/zinc/21/88/51/1067218851.db2.gz PCQDPSYLCKQREB-UHFFFAOYSA-N 0 0 475.514 4.089 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccsc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492492132 1067219246 /nfs/dbraw/zinc/21/92/46/1067219246.db2.gz DBFNWPRBYRCNNL-GOSISDBHSA-N 0 0 453.612 4.190 20 0 JIADRN CC[C@@H](NC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)c1ccccc1OCC(=O)N(C)C ZINC001321856755 1067219599 /nfs/dbraw/zinc/21/95/99/1067219599.db2.gz RUJHWROECXUPJF-MRXNPFEDSA-N 0 0 463.456 4.415 20 0 JIADRN CCn1c(SCC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)nnc1-c1cccs1 ZINC001354866541 1067219860 /nfs/dbraw/zinc/21/98/60/1067219860.db2.gz OSEFXCRGQUAGCP-UHFFFAOYSA-N 0 0 458.609 4.390 20 0 JIADRN CC(C)C(=O)N1CCC(NC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200804758 1067220545 /nfs/dbraw/zinc/22/05/45/1067220545.db2.gz XFWFYDBZWYAKCW-UHFFFAOYSA-N 0 0 481.229 4.284 20 0 JIADRN Cc1cc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(C)n1Cc1ccco1 ZINC001321874743 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CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC001351897057 1067235619 /nfs/dbraw/zinc/23/56/19/1067235619.db2.gz MNYBLHYMQMJEAH-ZJSXRUAMSA-N 0 0 465.594 4.188 20 0 JIADRN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001321979486 1067235735 /nfs/dbraw/zinc/23/57/35/1067235735.db2.gz SLZIMFCLDUTVKY-HSZRJFAPSA-N 0 0 488.588 4.085 20 0 JIADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)c1 ZINC001321978096 1067236227 /nfs/dbraw/zinc/23/62/27/1067236227.db2.gz CZQHJFFWQGBWSG-UHFFFAOYSA-N 0 0 499.571 4.187 20 0 JIADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001321979504 1067236323 /nfs/dbraw/zinc/23/63/23/1067236323.db2.gz TWAAMRPHYREQOF-GOSISDBHSA-N 0 0 481.984 4.144 20 0 JIADRN COc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(C)c2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001321983718 1067236955 /nfs/dbraw/zinc/23/69/55/1067236955.db2.gz NRFSVPCWOWGMNT-KDURUIRLSA-N 0 0 496.633 4.417 20 0 JIADRN 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ZINC001356288705 1067717102 /nfs/dbraw/zinc/71/71/02/1067717102.db2.gz AKZJOGDSUBDKSS-UHFFFAOYSA-N 0 0 459.241 4.403 20 0 JIADRN COc1ccc(CCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC001300113157 1067717495 /nfs/dbraw/zinc/71/74/95/1067717495.db2.gz BCTJQOBGKJRLHI-SGIRGMQISA-N 0 0 470.658 4.386 20 0 JIADRN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)CC(=O)N2C(C)(C)C)cn1 ZINC001356291856 1067717507 /nfs/dbraw/zinc/71/75/07/1067717507.db2.gz NQXSKYIVXGXWOJ-DENIHFKCSA-N 0 0 451.502 4.073 20 0 JIADRN COc1ccc(I)c(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)c1 ZINC001356293785 1067718344 /nfs/dbraw/zinc/71/83/44/1067718344.db2.gz BFLSIPBXHUJMDV-UHFFFAOYSA-N 0 0 451.239 4.092 20 0 JIADRN CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccc(F)c(F)c1 ZINC001356299317 1067718940 /nfs/dbraw/zinc/71/89/40/1067718940.db2.gz ITXHWRNGGVMXGN-ZDUSSCGKSA-N 0 0 455.274 4.382 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCOC2CCCCCC2)cc1 ZINC001300113505 1067719148 /nfs/dbraw/zinc/71/91/48/1067719148.db2.gz KTGMZMLNCGGPHS-SFTDATJTSA-N 0 0 456.631 4.425 20 0 JIADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4c(cccc4F)n3C)c2)cc1 ZINC001356301090 1067719481 /nfs/dbraw/zinc/71/94/81/1067719481.db2.gz OTEHPDRDIVYGPE-UHFFFAOYSA-N 0 0 452.511 4.098 20 0 JIADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC001356317836 1067722484 /nfs/dbraw/zinc/72/24/84/1067722484.db2.gz CAIBPUMLOCIHNC-RUZDIDTESA-N 0 0 457.574 4.391 20 0 JIADRN CCO[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC001356319415 1067723387 /nfs/dbraw/zinc/72/33/87/1067723387.db2.gz ZUAPIYVFQXHEQA-BFUOFWGJSA-N 0 0 454.420 4.477 20 0 JIADRN CN(C)C(=O)Sc1cccc(NC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)c1 ZINC001352787889 1067724146 /nfs/dbraw/zinc/72/41/46/1067724146.db2.gz IXPLTRRJOFCEQU-YKSBVNFPSA-N 0 0 453.564 4.448 20 0 JIADRN COc1ccc(CCc2nnc(N(C)CCC3CCOCC3)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001300115342 1067724587 /nfs/dbraw/zinc/72/45/87/1067724587.db2.gz WOAZLTKODVQGOC-MHZLTWQESA-N 0 0 470.658 4.266 20 0 JIADRN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001356326223 1067724904 /nfs/dbraw/zinc/72/49/04/1067724904.db2.gz FFKDRMNFQKGMGL-GOSISDBHSA-N 0 0 455.942 4.173 20 0 JIADRN C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2ccccc2)no1 ZINC001200135297 1067725694 /nfs/dbraw/zinc/72/56/94/1067725694.db2.gz BHMMSOIGMVVIJF-GFCCVEGCSA-N 0 0 453.396 4.336 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)c1 ZINC000848977003 1067726860 /nfs/dbraw/zinc/72/68/60/1067726860.db2.gz CUPNMYVEMWGVAG-IAGOWNOFSA-N 0 0 497.013 4.017 20 0 JIADRN CC(C)Cn1nc(C(=O)OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c2ccccc2c1=O ZINC000848977953 1067727397 /nfs/dbraw/zinc/72/73/97/1067727397.db2.gz NQMFRWUJEKGDAD-GOSISDBHSA-N 0 0 457.530 4.240 20 0 JIADRN COc1cccc(CN(CC(C)C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC001352797228 1067728487 /nfs/dbraw/zinc/72/84/87/1067728487.db2.gz YXJQZKMKZMYTAE-SFHVURJKSA-N 0 0 459.384 4.495 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC001356338560 1067728943 /nfs/dbraw/zinc/72/89/43/1067728943.db2.gz PFJCVLOOSUWMSV-NRFANRHFSA-N 0 0 459.550 4.164 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCn2ccnc2C)cc1 ZINC001300117824 1067729593 /nfs/dbraw/zinc/72/95/93/1067729593.db2.gz QBERKZGEWHSBJK-UHFFFAOYSA-N 0 0 476.547 4.446 20 0 JIADRN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000848979312 1067730279 /nfs/dbraw/zinc/73/02/79/1067730279.db2.gz MORAYBIXNVUBJD-GOSISDBHSA-N 0 0 483.542 4.264 20 0 JIADRN COc1cc(OC)cc(N2C[C@H](C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)CC2=O)c1 ZINC001356341928 1067730389 /nfs/dbraw/zinc/73/03/89/1067730389.db2.gz GZETYODQJNRNNU-AUUYWEPGSA-N 0 0 454.420 4.006 20 0 JIADRN COc1cc(OC)cc(N2C[C@H](C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)CC2=O)c1 ZINC001356341931 1067730437 /nfs/dbraw/zinc/73/04/37/1067730437.db2.gz GZETYODQJNRNNU-KUHUBIRLSA-N 0 0 454.420 4.006 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001300118177 1067730436 /nfs/dbraw/zinc/73/04/36/1067730436.db2.gz UGZPHFGIKUAVAC-JOCHJYFZSA-N 0 0 469.674 4.055 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2ccc(OC)nc2OC)cc1 ZINC001300118277 1067730499 /nfs/dbraw/zinc/73/04/99/1067730499.db2.gz VTOWDWPNNYTYPX-MOPGFXCFSA-N 0 0 465.598 4.015 20 0 JIADRN Cc1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)s1 ZINC001356342383 1067730750 /nfs/dbraw/zinc/73/07/50/1067730750.db2.gz CFIXXWPYQLBREP-AVRDEDQJSA-N 0 0 454.617 4.358 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001356346661 1067731111 /nfs/dbraw/zinc/73/11/11/1067731111.db2.gz MKXCEYGPFIGRKP-LEWJYISDSA-N 0 0 455.530 4.388 20 0 JIADRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 ZINC001356345178 1067731317 /nfs/dbraw/zinc/73/13/17/1067731317.db2.gz QAYGXCABYZYUED-GFCCVEGCSA-N 0 0 459.490 4.384 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001300118893 1067732390 /nfs/dbraw/zinc/73/23/90/1067732390.db2.gz KDBRBUUGNFFOOE-HXUWFJFHSA-N 0 0 467.658 4.393 20 0 JIADRN C[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1cccc(OC(F)F)c1 ZINC001356351225 1067732458 /nfs/dbraw/zinc/73/24/58/1067732458.db2.gz BCCPCUDKEIGGPL-ZIAGYGMSSA-N 0 0 450.486 4.115 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCOC[C@H]2OC)cc1 ZINC001300119343 1067733643 /nfs/dbraw/zinc/73/36/43/1067733643.db2.gz QYROYLVILGJOOM-IFMALSPDSA-N 0 0 496.574 4.292 20 0 JIADRN CCOC(=O)[C@H](NC(=O)c1ccc(C2CC2)nc1C)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001352806863 1067734224 /nfs/dbraw/zinc/73/42/24/1067734224.db2.gz WYTKQKDNNRFLFN-HSZRJFAPSA-N 0 0 450.514 4.243 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CCCN(C)CC(F)(F)F)cc1 ZINC001300119735 1067734522 /nfs/dbraw/zinc/73/45/22/1067734522.db2.gz YAPTZZOLSCYTOM-QZTJIDSGSA-N 0 0 453.553 4.191 20 0 JIADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC001356358914 1067735372 /nfs/dbraw/zinc/73/53/72/1067735372.db2.gz VYQXHKSSEJWQEA-TYPHKJRUSA-N 0 0 457.571 4.393 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2CCc2sc(C)nc2C)cc1 ZINC001300120042 1067735520 /nfs/dbraw/zinc/73/55/20/1067735520.db2.gz DPMKRYUEEOQPOJ-VWLOTQADSA-N 0 0 469.655 4.393 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@H](C(F)F)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300120162 1067736200 /nfs/dbraw/zinc/73/62/00/1067736200.db2.gz GCYXJCRJDBCNII-UPTQXZAWSA-N 0 0 468.614 4.101 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300120158 1067736547 /nfs/dbraw/zinc/73/65/47/1067736547.db2.gz GCYXJCRJDBCNII-CVCYQNGTSA-N 0 0 468.614 4.101 20 0 JIADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC001356366140 1067736800 /nfs/dbraw/zinc/73/68/00/1067736800.db2.gz LJPZFGGTJRSBNF-LJQANCHMSA-N 0 0 454.552 4.092 20 0 JIADRN O=C(NCCc1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001356369032 1067737457 /nfs/dbraw/zinc/73/74/57/1067737457.db2.gz HYZNCDJZWALTQC-FQEVSTJZSA-N 0 0 450.485 4.256 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2C[C@@](C)(O)C(C)C)cc1 ZINC001300120512 1067737590 /nfs/dbraw/zinc/73/75/90/1067737590.db2.gz RQRCTLFCOCYHMY-WWPVKYPJSA-N 0 0 481.468 4.499 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C)CC3)n2CC[C@@H](C(F)F)N2CCOCC2)cc1 ZINC001300120773 1067738091 /nfs/dbraw/zinc/73/80/91/1067738091.db2.gz KAEJZCIRPPZVSO-OFNKIYASSA-N 0 0 491.627 4.054 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@](C)(O)C2CCCCC2)cc1 ZINC001300121386 1067739334 /nfs/dbraw/zinc/73/93/34/1067739334.db2.gz NZUGFTAHHXUMRY-KAYWLYCHSA-N 0 0 470.658 4.409 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C)CC3)n2Cc2ccc(OC)nc2OC)cc1 ZINC001300122160 1067740771 /nfs/dbraw/zinc/74/07/71/1067740771.db2.gz ZPYLQRXPIPGNPY-LJQANCHMSA-N 0 0 465.598 4.159 20 0 JIADRN Cc1ccc([C@H](CNC(=O)C(F)(F)c2cccc(Br)c2)N2CCOCC2)cc1 ZINC001356379494 1067740850 /nfs/dbraw/zinc/74/08/50/1067740850.db2.gz FWSUQNLKMFRTEH-IBGZPJMESA-N 0 0 453.327 4.039 20 0 JIADRN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)OCc1cn2cc(Cl)ccc2n1 ZINC000847458757 1067741124 /nfs/dbraw/zinc/74/11/24/1067741124.db2.gz BISGAGLLSCIDFA-KRWDZBQOSA-N 0 0 496.814 4.345 20 0 JIADRN COc1cc(C)ccc1C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001352818182 1067741202 /nfs/dbraw/zinc/74/12/02/1067741202.db2.gz LHGUUTXMLGYOAV-UHFFFAOYSA-N 0 0 452.532 4.220 20 0 JIADRN CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001356381235 1067741456 /nfs/dbraw/zinc/74/14/56/1067741456.db2.gz RVPSGFDSBQNZBK-HNNXBMFYSA-N 0 0 452.523 4.182 20 0 JIADRN CN1CCN(C(=O)c2ccccc2NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001352819241 1067741572 /nfs/dbraw/zinc/74/15/72/1067741572.db2.gz ZNWSFCWDZGZFAU-JXAWBTAJSA-N 0 0 451.876 4.312 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@H]3C(C)C)n2CC2(S(C)(=O)=O)CCCC2)cc1 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CC(C)(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC001359526378 1069816363 /nfs/dbraw/zinc/81/63/63/1069816363.db2.gz GRTFXUPQNFVDCF-KRWDZBQOSA-N 0 0 450.505 4.218 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(Cn3cncn3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359528944 1069818668 /nfs/dbraw/zinc/81/86/68/1069818668.db2.gz BZRQCJLRCSXFKE-UHFFFAOYSA-N 0 0 491.562 4.364 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359528770 1069818790 /nfs/dbraw/zinc/81/87/90/1069818790.db2.gz WQXINAUMCZRCFF-GJZGRUSLSA-N 0 0 457.566 4.448 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCCSc1ccccc1 ZINC001359530684 1069822489 /nfs/dbraw/zinc/82/24/89/1069822489.db2.gz MGJJPPJLSNCGGL-LJQANCHMSA-N 0 0 456.660 4.089 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001359531415 1069823966 /nfs/dbraw/zinc/82/39/66/1069823966.db2.gz LSAGBIIMAYFVJD-UHFFFAOYSA-N 0 0 476.687 4.266 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1Cc1ccsc1Br ZINC001359530951 1069822804 /nfs/dbraw/zinc/82/28/04/1069822804.db2.gz XFNDQMUFNNKSHZ-UHFFFAOYSA-N 0 0 480.476 4.234 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(Cn3ccnn3)CC2)n1CCOc1ccccc1Cl ZINC001359529191 1069819102 /nfs/dbraw/zinc/81/91/02/1069819102.db2.gz LNHCDQIIWRQIDW-UHFFFAOYSA-N 0 0 458.010 4.107 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCc1cccnc1 ZINC001359531377 1069823531 /nfs/dbraw/zinc/82/35/31/1069823531.db2.gz KOMBQVGFKAZVCA-UHFFFAOYSA-N 0 0 455.553 4.271 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@@H](OCCCc3ccccc3)C2)n1CC(C)(C)N1CCOCC1 ZINC001359531589 1069824231 /nfs/dbraw/zinc/82/42/31/1069824231.db2.gz RERFLYUVYDFOPL-XMMPIXPASA-N 0 0 483.701 4.206 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CCc1cc(Br)ccc1F ZINC001359533908 1069826813 /nfs/dbraw/zinc/82/68/13/1069826813.db2.gz LHKFRJSUTYHFHR-SJORKVTESA-N 0 0 481.366 4.125 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001359534083 1069826928 /nfs/dbraw/zinc/82/69/28/1069826928.db2.gz OFTKHTFBCDDUIU-SFTDATJTSA-N 0 0 461.601 4.249 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359534268 1069827299 /nfs/dbraw/zinc/82/72/99/1069827299.db2.gz RBRAYSCQMROWTF-CVEARBPZSA-N 0 0 470.904 4.284 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCc1ccc(F)cc1Cl ZINC001359534393 1069827512 /nfs/dbraw/zinc/82/75/12/1069827512.db2.gz UMWPPXPTFLUTGI-KRWDZBQOSA-N 0 0 462.013 4.397 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](c3noc(C4CC4)n3)C2)n1CC(F)(F)Br ZINC001359534527 1069827538 /nfs/dbraw/zinc/82/75/38/1069827538.db2.gz XIGUCCGFMVEWGC-ZDUSSCGKSA-N 0 0 473.366 4.499 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359534727 1069827936 /nfs/dbraw/zinc/82/79/36/1069827936.db2.gz BGHFIPQUSQQWQJ-ZWKOTPCHSA-N 0 0 498.569 4.333 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1Cc2ccccc2O1 ZINC001359535472 1069829358 /nfs/dbraw/zinc/82/93/58/1069829358.db2.gz RVBAJNFONKDZSK-VQTJNVASSA-N 0 0 453.631 4.002 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccc(Cl)nc1 ZINC001359535533 1069829636 /nfs/dbraw/zinc/82/96/36/1069829636.db2.gz TUCADIQQKSBWRJ-QGZVFWFLSA-N 0 0 461.054 4.342 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCC(=O)N1CCCCCC1 ZINC001359535698 1069830140 /nfs/dbraw/zinc/83/01/40/1069830140.db2.gz XCZRPUUQUAENLB-GOSISDBHSA-N 0 0 473.584 4.207 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CCNC(=O)c1cccs1 ZINC001359535805 1069830379 /nfs/dbraw/zinc/83/03/79/1069830379.db2.gz ZDMYWDQXPQVSQZ-OALUTQOASA-N 0 0 459.660 4.001 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1sccc1Br ZINC001359536012 1069830619 /nfs/dbraw/zinc/83/06/19/1069830619.db2.gz DXRNKTSOEXIWOD-AWEZNQCLSA-N 0 0 489.505 4.143 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001359537764 1069832950 /nfs/dbraw/zinc/83/29/50/1069832950.db2.gz OBOZIECKBLPVAX-HXUWFJFHSA-N 0 0 453.631 4.361 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCc1ccc2[nH]ccc2c1 ZINC001359537808 1069832987 /nfs/dbraw/zinc/83/29/87/1069832987.db2.gz QAVBCAYDGNHROT-UHFFFAOYSA-N 0 0 450.631 4.285 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001359540681 1069838060 /nfs/dbraw/zinc/83/80/60/1069838060.db2.gz DGWZAQFOLKZAAA-UHFFFAOYSA-N 0 0 476.547 4.378 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3nc4ccccc4o3)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001359539498 1069836482 /nfs/dbraw/zinc/83/64/82/1069836482.db2.gz KHEKYROSXDVLJI-UHFFFAOYSA-N 0 0 497.644 4.249 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001359540165 1069837362 /nfs/dbraw/zinc/83/73/62/1069837362.db2.gz LBRNNJNHDZQVIT-UHFFFAOYSA-N 0 0 488.558 4.373 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001359540350 1069837729 /nfs/dbraw/zinc/83/77/29/1069837729.db2.gz RUWIUUVLMXMGMZ-NRFANRHFSA-N 0 0 466.674 4.454 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001359541792 1069840025 /nfs/dbraw/zinc/84/00/25/1069840025.db2.gz JAAXWTFYWGGTAN-RTWAWAEBSA-N 0 0 495.590 4.098 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001359542464 1069840977 /nfs/dbraw/zinc/84/09/77/1069840977.db2.gz YVVKCAVSCDANGE-ROUUACIJSA-N 0 0 486.510 4.470 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359543155 1069841760 /nfs/dbraw/zinc/84/17/60/1069841760.db2.gz SGRQCZGLEDNJOZ-LJQANCHMSA-N 0 0 462.520 4.036 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359543477 1069842031 /nfs/dbraw/zinc/84/20/31/1069842031.db2.gz AHAGMCPGDRXSQD-MNEFBYGVSA-N 0 0 492.437 4.302 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001359541733 1069839524 /nfs/dbraw/zinc/83/95/24/1069839524.db2.gz HPTVLSAKKXLEML-JOCHJYFZSA-N 0 0 450.631 4.411 20 0 JIADRN CC(C)(C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncccn2)CC1 ZINC001359544185 1069843021 /nfs/dbraw/zinc/84/30/21/1069843021.db2.gz HBXKAAUDHJIUNK-UHFFFAOYSA-N 0 0 471.556 4.489 20 0 JIADRN CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNC(=O)C2CCC2)CC1(C)C ZINC001300794250 1069844912 /nfs/dbraw/zinc/84/49/12/1069844912.db2.gz CSXSAPUZUITQKS-LAUBAEHRSA-N 0 0 490.048 4.239 20 0 JIADRN CO[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSC(F)(F)F)CC[C@@H]1C ZINC001300794349 1069845300 /nfs/dbraw/zinc/84/53/00/1069845300.db2.gz JQUHCHDBQUQDLY-KSSFIOAISA-N 0 0 466.533 4.449 20 0 JIADRN CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)s2)CC[C@H]1C ZINC001300794415 1069845373 /nfs/dbraw/zinc/84/53/73/1069845373.db2.gz DNZCGGAYKBTASR-HGHGUNKESA-N 0 0 470.643 4.299 20 0 JIADRN CO[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSC(F)(F)F)CC[C@H]1C ZINC001300794346 1069845393 /nfs/dbraw/zinc/84/53/93/1069845393.db2.gz JQUHCHDBQUQDLY-KDOFPFPSSA-N 0 0 466.533 4.449 20 0 JIADRN Cc1ccccc1Cn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492595449 1069846249 /nfs/dbraw/zinc/84/62/49/1069846249.db2.gz ZKYODDGUXPIDTO-KDYSTLNUSA-N 0 0 499.656 4.026 20 0 JIADRN CC(C)(C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001359545651 1069848867 /nfs/dbraw/zinc/84/88/67/1069848867.db2.gz ZHKRQMXOGMDTOJ-OAQYLSRUSA-N 0 0 453.631 4.370 20 0 JIADRN CC(C)(C)CCCn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001359546179 1069849611 /nfs/dbraw/zinc/84/96/11/1069849611.db2.gz TWCGQECFTWXFTP-UHFFFAOYSA-N 0 0 456.532 4.113 20 0 JIADRN CC(C)(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001359546174 1069849676 /nfs/dbraw/zinc/84/96/76/1069849676.db2.gz SUOWTCWARSARIQ-UHFFFAOYSA-N 0 0 472.609 4.207 20 0 JIADRN CC(C)(C)CCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001359546257 1069850016 /nfs/dbraw/zinc/85/00/16/1069850016.db2.gz WJSCRJZJKYDTME-UHFFFAOYSA-N 0 0 494.728 4.414 20 0 JIADRN CC(C)(C)n1ncnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 ZINC001359550347 1069858870 /nfs/dbraw/zinc/85/88/70/1069858870.db2.gz ZFRJCIKSNSXIJI-UHFFFAOYSA-N 0 0 460.355 4.008 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(C2CCC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001359551657 1069861084 /nfs/dbraw/zinc/86/10/84/1069861084.db2.gz QREUOUMYDSUGGW-UHFFFAOYSA-N 0 0 460.420 4.176 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001359552355 1069861841 /nfs/dbraw/zinc/86/18/41/1069861841.db2.gz MTGSZRSHHHNXGB-AREMUKBSSA-N 0 0 453.631 4.068 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001359552320 1069861877 /nfs/dbraw/zinc/86/18/77/1069861877.db2.gz LHEASOBRMMQLMY-UHFFFAOYSA-N 0 0 488.970 4.063 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C2CC2)CC1 ZINC001359554978 1069867571 /nfs/dbraw/zinc/86/75/71/1069867571.db2.gz CYGDUKCSPSSYEH-QGZVFWFLSA-N 0 0 473.540 4.275 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCCOC2CCCC2)CC1 ZINC001359554043 1069864412 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/nfs/dbraw/zinc/30/65/48/1064306548.db2.gz QVNFNSFNLOHUSB-IYBDPMFKSA-N 0 0 465.436 4.494 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC(F)(F)F)cc1O ZINC001315469950 1064306712 /nfs/dbraw/zinc/30/67/12/1064306712.db2.gz FHKAHKMTTLQMNN-NRFANRHFSA-N 0 0 472.508 4.012 20 0 JIADRN COc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@@H]2C)cc1 ZINC001315470375 1064307609 /nfs/dbraw/zinc/30/76/09/1064307609.db2.gz WCGIQOYREPRVJB-IPJJNNNSSA-N 0 0 485.629 4.073 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nc(C(C)(C)C)cs2)cc1F ZINC001315471120 1064309718 /nfs/dbraw/zinc/30/97/18/1064309718.db2.gz YZPFFJQMVOXPBJ-UHFFFAOYSA-N 0 0 474.606 4.003 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)c(OC)c1 ZINC001315471682 1064311648 /nfs/dbraw/zinc/31/16/48/1064311648.db2.gz LIPWFNJFNKYWPN-NRFANRHFSA-N 0 0 485.654 4.190 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2nc(C(F)(F)F)cs2)cc1O ZINC001315472563 1064312952 /nfs/dbraw/zinc/31/29/52/1064312952.db2.gz LKGJDUOGJJURRQ-UHFFFAOYSA-N 0 0 464.473 4.147 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)C)cc1F ZINC001315473592 1064316735 /nfs/dbraw/zinc/31/67/35/1064316735.db2.gz LKGZRVNPAVLQBS-UHFFFAOYSA-N 0 0 474.606 4.068 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CCc2ccccn2)cc1OC(F)F ZINC001315474058 1064318225 /nfs/dbraw/zinc/31/82/25/1064318225.db2.gz IUZWKSNTHPJVIH-UHFFFAOYSA-N 0 0 466.492 4.224 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2Cl)cc1C ZINC001315474339 1064319834 /nfs/dbraw/zinc/31/98/34/1064319834.db2.gz GUJCSWGTGUPAIW-IBGZPJMESA-N 0 0 471.989 4.253 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)c(OC)c1 ZINC001315474862 1064321915 /nfs/dbraw/zinc/32/19/15/1064321915.db2.gz JLOONKZBSSMKIS-SFHVURJKSA-N 0 0 491.514 4.288 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)c2cccs2)c(OC)c1 ZINC001315475064 1064322673 /nfs/dbraw/zinc/32/26/73/1064322673.db2.gz PUIILGAEDOUKFC-DEOSSOPVSA-N 0 0 468.579 4.469 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2csc([C@@H](C)OC)n2)cc1OC ZINC001315475172 1064323467 /nfs/dbraw/zinc/32/34/67/1064323467.db2.gz AMZGWBCANLGDJE-OXQOHEQNSA-N 0 0 487.626 4.386 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1C ZINC001315475999 1064325790 /nfs/dbraw/zinc/32/57/90/1064325790.db2.gz FNYYXHVQLHVGJD-QFIPXVFZSA-N 0 0 485.629 4.340 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ncccc2C)c(OC)c1 ZINC001315476162 1064326466 /nfs/dbraw/zinc/32/64/66/1064326466.db2.gz ULGOWQKDQZJYJY-UHFFFAOYSA-N 0 0 464.957 4.399 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(C)CC2)cc1 ZINC001315476141 1064326704 /nfs/dbraw/zinc/32/67/04/1064326704.db2.gz SDJUCKAQHAGNKV-NRFANRHFSA-N 0 0 485.629 4.422 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c(OC)c1 ZINC001315476349 1064328218 /nfs/dbraw/zinc/32/82/18/1064328218.db2.gz WMQQAJNJAPTZNU-SFHVURJKSA-N 0 0 496.612 4.155 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)cc1C ZINC001315476571 1064328440 /nfs/dbraw/zinc/32/84/40/1064328440.db2.gz AXIDZNJNCLKPAK-LJQANCHMSA-N 0 0 482.654 4.179 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CCSC(F)(F)F)cc1OC ZINC001315477466 1064330357 /nfs/dbraw/zinc/33/03/57/1064330357.db2.gz XTMGIGYEOMUSEY-MRXNPFEDSA-N 0 0 460.522 4.426 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC001315478134 1064332602 /nfs/dbraw/zinc/33/26/02/1064332602.db2.gz QXYFVSHTWGISFV-UNWVZKJWSA-N 0 0 458.603 4.234 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[C@H]2C[C@H](F)C2)c(OC)c1 ZINC001315479191 1064335422 /nfs/dbraw/zinc/33/54/22/1064335422.db2.gz FRDIAJOALUYFCV-SAABIXHNSA-N 0 0 459.591 4.426 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1F ZINC001315479524 1064337029 /nfs/dbraw/zinc/33/70/29/1064337029.db2.gz IBANAEHDVBMCPG-UHFFFAOYSA-N 0 0 498.603 4.351 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC001315479506 1064337083 /nfs/dbraw/zinc/33/70/83/1064337083.db2.gz HJRLTHZHPKEHOU-UHFFFAOYSA-N 0 0 459.598 4.367 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCSC2(C)C)cc1O ZINC001315479975 1064337774 /nfs/dbraw/zinc/33/77/74/1064337774.db2.gz NHANWDVZZXXTLR-IBGZPJMESA-N 0 0 453.612 4.146 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2sc(C)nc2C)c(OC)c1 ZINC001315479765 1064337940 /nfs/dbraw/zinc/33/79/40/1064337940.db2.gz OSDHKKMSHBTDCZ-UHFFFAOYSA-N 0 0 484.651 4.409 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)C2CCCCC2)cc1F ZINC001315480008 1064338496 /nfs/dbraw/zinc/33/84/96/1064338496.db2.gz ODVKWWYTWINRRQ-SANMLTNESA-N 0 0 467.589 4.379 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(OC)nc2OC)cc1 ZINC001315480205 1064339274 /nfs/dbraw/zinc/33/92/74/1064339274.db2.gz VDDBSQIVSMFCKS-UHFFFAOYSA-N 0 0 465.579 4.036 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC3CC3)n2Cc2nc(C(F)(F)F)cs2)cc1OC ZINC001315481180 1064342100 /nfs/dbraw/zinc/34/21/00/1064342100.db2.gz XUWOKTWPYFHXMW-UHFFFAOYSA-N 0 0 467.517 4.408 20 0 JIADRN COc1ccc(CN(c2nnc(Cc3ccccn3)n2CCN(C)C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001315481393 1064342878 /nfs/dbraw/zinc/34/28/78/1064342878.db2.gz FVFBVGQLTUQJCP-UHFFFAOYSA-N 0 0 492.624 4.308 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](OC(C)(C)C)C2)c(C(F)(F)F)c1 ZINC001315482257 1064344942 /nfs/dbraw/zinc/34/49/42/1064344942.db2.gz KLEFLXHCCVVRER-SFHVURJKSA-N 0 0 497.562 4.276 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccsc2)c(C(F)(F)F)c1 ZINC001315482581 1064345673 /nfs/dbraw/zinc/34/56/73/1064345673.db2.gz OLIXGTUHKQAIPX-UHFFFAOYSA-N 0 0 467.517 4.190 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](C)C2)c(OC)c1 ZINC001315482746 1064346267 /nfs/dbraw/zinc/34/62/67/1064346267.db2.gz HJYRONUFGLBYNT-ZWKOTPCHSA-N 0 0 486.016 4.446 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)CC[C@@H]2C)c(C(F)(F)F)c1 ZINC001315482606 1064346481 /nfs/dbraw/zinc/34/64/81/1064346481.db2.gz PBKPAGKWZPDRDL-GJZGRUSLSA-N 0 0 453.509 4.117 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cn[nH]c2)cc1C ZINC001315482813 1064347254 /nfs/dbraw/zinc/34/72/54/1064347254.db2.gz GFFGXHYLBRKADB-IFMALSPDSA-N 0 0 452.603 4.116 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(CC2CC2)C2CCCCC2)c(OC)c1 ZINC001315483237 1064347760 /nfs/dbraw/zinc/34/77/60/1064347760.db2.gz XIKUGIQBZRERLY-UHFFFAOYSA-N 0 0 455.603 4.031 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(C3CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c(OC)c1 ZINC001315483856 1064351212 /nfs/dbraw/zinc/35/12/12/1064351212.db2.gz QXRYVWWZEYWZBZ-NZQKXSOJSA-N 0 0 472.630 4.013 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cn1 ZINC001315484437 1064352521 /nfs/dbraw/zinc/35/25/21/1064352521.db2.gz KHZXVIXVAAITFC-HDICACEKSA-N 0 0 484.551 4.327 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)cc1Br ZINC001315485038 1064354017 /nfs/dbraw/zinc/35/40/17/1064354017.db2.gz FLMKHTRAQOVJER-UHFFFAOYSA-N 0 0 490.368 4.295 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N2CCC(OCCC(C)C)CC2)cc1Br ZINC001315485825 1064355654 /nfs/dbraw/zinc/35/56/54/1064355654.db2.gz IZAMBJIJZUNRPV-UHFFFAOYSA-N 0 0 451.409 4.437 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N(Cc2cccs2)C[C@@H]2CCCO2)cc1OC(F)F ZINC001315486008 1064356322 /nfs/dbraw/zinc/35/63/22/1064356322.db2.gz NCBSGSQOWDADFT-KRWDZBQOSA-N 0 0 464.538 4.492 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cn1 ZINC001315486282 1064357626 /nfs/dbraw/zinc/35/76/26/1064357626.db2.gz DYSNZFZMODTHRW-FQEVSTJZSA-N 0 0 490.652 4.388 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cccs2)cn1 ZINC001315486530 1064358290 /nfs/dbraw/zinc/35/82/90/1064358290.db2.gz DFQBRYFNVYCJIE-UHFFFAOYSA-N 0 0 459.373 4.186 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)cn1 ZINC001315486961 1064359902 /nfs/dbraw/zinc/35/99/02/1064359902.db2.gz LFJKSTUUTKHEHP-DNVCBOLYSA-N 0 0 472.387 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CC2CC(F)C2)cn1 ZINC001315487442 1064361276 /nfs/dbraw/zinc/36/12/76/1064361276.db2.gz OERLQSWELOFDOC-UHFFFAOYSA-N 0 0 466.380 4.405 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)[C@@H]2C)c(OC)c1OC ZINC001315487495 1064362069 /nfs/dbraw/zinc/36/20/69/1064362069.db2.gz KUXYXSBSYBTPGG-KGLIPLIRSA-N 0 0 490.402 4.345 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCS[C@H](C)C2)cn1 ZINC001315487528 1064362250 /nfs/dbraw/zinc/36/22/50/1064362250.db2.gz PHHVWTOAVBWBKF-GFCCVEGCSA-N 0 0 466.430 4.163 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(OC)CC2)cn1 ZINC001315487842 1064362703 /nfs/dbraw/zinc/36/27/03/1064362703.db2.gz FSLRDBLXIVVVMJ-AVRWGWEMSA-N 0 0 469.561 4.405 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)[C@@H]2C)c(OC)n1 ZINC001315488394 1064365064 /nfs/dbraw/zinc/36/50/64/1064365064.db2.gz GWXCGXAGEZHMAI-UXHICEINSA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001315488574 1064365687 /nfs/dbraw/zinc/36/56/87/1064365687.db2.gz 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/nfs/dbraw/zinc/77/32/29/1069773229.db2.gz OZWFCZJTZRDOHM-MOPGFXCFSA-N 0 0 457.585 4.103 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCc1cc(Br)ccc1F ZINC001359504789 1069773883 /nfs/dbraw/zinc/77/38/83/1069773883.db2.gz FGRSAURLNWHQKW-UHFFFAOYSA-N 0 0 480.426 4.202 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(Cn3ccnn3)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359504696 1069774093 /nfs/dbraw/zinc/77/40/93/1069774093.db2.gz BBZQWVJAKXGQKC-UHFFFAOYSA-N 0 0 479.963 4.387 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359506060 1069777394 /nfs/dbraw/zinc/77/73/94/1069777394.db2.gz YAAAORAXPDMDSF-UHFFFAOYSA-N 0 0 493.578 4.083 20 0 JIADRN CC(C)(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CCC(=O)N1CCCCCC1 ZINC001359506090 1069777595 /nfs/dbraw/zinc/77/75/95/1069777595.db2.gz ZFINRAATJDEYBG-HSZRJFAPSA-N 0 0 467.658 4.411 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001359506428 1069779923 /nfs/dbraw/zinc/77/99/23/1069779923.db2.gz LDDDWCBXWJGGTQ-QHCPKHFHSA-N 0 0 476.593 4.311 20 0 JIADRN CC(C)(C)c1nnc(N2CC[C@H](OCCCc3ccccc3)C2)n1Cc1ncnn1C(C)(C)C ZINC001359506941 1069780266 /nfs/dbraw/zinc/78/02/66/1069780266.db2.gz BTEHJSVAXQHPSK-NRFANRHFSA-N 0 0 465.646 4.199 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359507228 1069781201 /nfs/dbraw/zinc/78/12/01/1069781201.db2.gz LVXHOLAONPHIOJ-BKMJKUGQSA-N 0 0 474.621 4.177 20 0 JIADRN CC(C)(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCc1ccccc1C(F)(F)F ZINC001359511208 1069789997 /nfs/dbraw/zinc/78/99/97/1069789997.db2.gz MHBFETURILLXOQ-KRWDZBQOSA-N 0 0 472.577 4.241 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1Cc1cc(Br)cs1 ZINC001359509282 1069785804 /nfs/dbraw/zinc/78/58/04/1069785804.db2.gz UMJUAHAYWFBXHR-OAHLLOKOSA-N 0 0 480.476 4.191 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359509243 1069786156 /nfs/dbraw/zinc/78/61/56/1069786156.db2.gz SOSNRODMHAQWJX-QGZVFWFLSA-N 0 0 479.547 4.060 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001359509377 1069786289 /nfs/dbraw/zinc/78/62/89/1069786289.db2.gz WRTGMNNJCQTQSK-UXHICEINSA-N 0 0 465.564 4.255 20 0 JIADRN CC(C)(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001359510933 1069790101 /nfs/dbraw/zinc/79/01/01/1069790101.db2.gz GDESWNLTLVMCQJ-JOCHJYFZSA-N 0 0 474.671 4.349 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@@H]2c2ccsc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001359511048 1069790317 /nfs/dbraw/zinc/79/03/17/1069790317.db2.gz IOHSLCVKTBNWKE-AZUAARDMSA-N 0 0 455.603 4.462 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1cccc(Br)n1 ZINC001359510117 1069788627 /nfs/dbraw/zinc/78/86/27/1069788627.db2.gz NMSXMGXQNBIIEF-AWEZNQCLSA-N 0 0 476.341 4.329 20 0 JIADRN CC(C)(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC1(Sc2ccccc2)CC1 ZINC001359511536 1069791352 /nfs/dbraw/zinc/79/13/52/1069791352.db2.gz SYALMEVKDPSPTA-IBGZPJMESA-N 0 0 462.685 4.304 20 0 JIADRN CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCSCC(F)(F)F ZINC001359512298 1069794120 /nfs/dbraw/zinc/79/41/20/1069794120.db2.gz VSMOEGMACZGIMG-UHFFFAOYSA-N 0 0 475.606 4.285 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001359513777 1069799693 /nfs/dbraw/zinc/79/96/93/1069799693.db2.gz IOZXGYVRDRKVMW-UHFFFAOYSA-N 0 0 476.959 4.308 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359514173 1069800570 /nfs/dbraw/zinc/80/05/70/1069800570.db2.gz YFCIACNQRZOPJW-IRXDYDNUSA-N 0 0 451.541 4.061 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CC(C)(C)C(F)(F)F ZINC001359514891 1069801309 /nfs/dbraw/zinc/80/13/09/1069801309.db2.gz BTAXLIJBZGWEIC-UHFFFAOYSA-N 0 0 455.500 4.152 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359515122 1069801547 /nfs/dbraw/zinc/80/15/47/1069801547.db2.gz KIZLWGKDXYKCNT-GOSISDBHSA-N 0 0 483.991 4.180 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)n1CCCOCC(F)F ZINC001359515033 1069801584 /nfs/dbraw/zinc/80/15/84/1069801584.db2.gz HTDPOPOWTIWGGU-UHFFFAOYSA-N 0 0 488.583 4.225 20 0 JIADRN CC(C)(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001359516526 1069802541 /nfs/dbraw/zinc/80/25/41/1069802541.db2.gz CAGGYEYSJUWJCI-LJQANCHMSA-N 0 0 475.515 4.365 20 0 JIADRN CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCCOCC1CCOCC1 ZINC001359516702 1069802976 /nfs/dbraw/zinc/80/29/76/1069802976.db2.gz GUWWXDQZPOFYJH-QFIPXVFZSA-N 0 0 478.584 4.265 20 0 JIADRN CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1C[C@@H]1CCCOC1 ZINC001359517359 1069804236 /nfs/dbraw/zinc/80/42/36/1069804236.db2.gz SYKGWFLFVUZXFT-QFBILLFUSA-N 0 0 450.530 4.182 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCn1cc(Cl)cn1 ZINC001359513963 1069800202 /nfs/dbraw/zinc/80/02/02/1069800202.db2.gz PNNNQKVZGAKEEB-UHFFFAOYSA-N 0 0 481.954 4.471 20 0 JIADRN CC(C)(C)c1nnc(N2CCOC3(CCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359517813 1069804949 /nfs/dbraw/zinc/80/49/49/1069804949.db2.gz FDHCVQHDJXTSQZ-UHFFFAOYSA-N 0 0 467.536 4.304 20 0 JIADRN CC(C)(C)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCNC(=O)Cc1cccc(F)c1 ZINC001359517892 1069805038 /nfs/dbraw/zinc/80/50/38/1069805038.db2.gz HSMBKCPJPMIKNY-UHFFFAOYSA-N 0 0 471.621 4.003 20 0 JIADRN CC(C)(C)c1cc(Cn2c(-c3cccc(Br)c3)nnc2N2CCCOCC2)on1 ZINC001359518450 1069805251 /nfs/dbraw/zinc/80/52/51/1069805251.db2.gz BNJXCAZWBQXKDW-UHFFFAOYSA-N 0 0 460.376 4.268 20 0 JIADRN CC(C)(C)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCCS(C)(=O)=O)C1 ZINC001359521445 1069808776 /nfs/dbraw/zinc/80/87/76/1069808776.db2.gz YUBMNKRZHDVSQE-LJQANCHMSA-N 0 0 450.624 4.095 20 0 JIADRN CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001359519284 1069805840 /nfs/dbraw/zinc/80/58/40/1069805840.db2.gz DRHZBTFLIAMHRN-GOSISDBHSA-N 0 0 495.487 4.405 20 0 JIADRN CC(C)(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001359520142 1069807734 /nfs/dbraw/zinc/80/77/34/1069807734.db2.gz ALJZCTBZJSZEAV-IBGZPJMESA-N 0 0 451.619 4.167 20 0 JIADRN CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)CCO1 ZINC001359522373 1069810517 /nfs/dbraw/zinc/81/05/17/1069810517.db2.gz RTJWGDAPGKXDBM-WBVHZDCISA-N 0 0 499.475 4.216 20 0 JIADRN CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC(=O)NC2CC2)CCO1 ZINC001359522550 1069810674 /nfs/dbraw/zinc/81/06/74/1069810674.db2.gz WOMDCQLIFQSTPH-INIZCTEOSA-N 0 0 496.475 4.079 20 0 JIADRN CC(C)(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2nc(C(F)(F)F)cs2)CCO1 ZINC001359523915 1069812057 /nfs/dbraw/zinc/81/20/57/1069812057.db2.gz WCKWSJHKJYETLY-QGZVFWFLSA-N 0 0 480.560 4.233 20 0 JIADRN CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CCO)Cc1ccccc1 ZINC001359524415 1069812784 /nfs/dbraw/zinc/81/27/84/1069812784.db2.gz GSHAWPZGLXJFKP-WIOPSUGQSA-N 0 0 463.626 4.104 20 0 JIADRN CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359524432 1069812897 /nfs/dbraw/zinc/81/28/97/1069812897.db2.gz HCIQCMRHPGSBLC-IPMKNSEASA-N 0 0 473.584 4.045 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(c3c[nH]c4ccccc43)CC2)n1CCCS(C)(=O)=O ZINC001359528650 1069818420 /nfs/dbraw/zinc/81/84/20/1069818420.db2.gz TVHUEJYRCPMDFZ-UHFFFAOYSA-N 0 0 457.644 4.167 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001359526967 1069816629 /nfs/dbraw/zinc/81/66/29/1069816629.db2.gz XHKKTEOFDBDFGC-UHFFFAOYSA-N 0 0 497.640 4.160 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001359526851 1069816726 /nfs/dbraw/zinc/81/67/26/1069816726.db2.gz URONOIOKFOAADR-UHFFFAOYSA-N 0 0 470.561 4.158 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCSCCCO ZINC001359527421 1069817052 /nfs/dbraw/zinc/81/70/52/1069817052.db2.gz MAHQIGDXOSFFAN-UHFFFAOYSA-N 0 0 462.504 4.303 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1Cc1nccs1 ZINC001359527676 1069817672 /nfs/dbraw/zinc/81/76/72/1069817672.db2.gz UYAXYGATMFUFLY-UHFFFAOYSA-N 0 0 470.618 4.043 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1Cc1c(F)cccc1Cl ZINC001359528022 1069817949 /nfs/dbraw/zinc/81/79/49/1069817949.db2.gz DNMVGUVPPKTURS-QHCPKHFHSA-N 0 0 450.002 4.009 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1Cc1ncnn1C(C)(C)C ZINC001359528449 1069818292 /nfs/dbraw/zinc/81/82/92/1069818292.db2.gz OPZRZHIZKFWDFK-UHFFFAOYSA-N 0 0 465.646 4.138 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(N3CCCC3=O)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001359530360 1069821364 /nfs/dbraw/zinc/82/13/64/1069821364.db2.gz ZWCFNBNNRQEALN-UHFFFAOYSA-N 0 0 479.547 4.405 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359530303 1069821410 /nfs/dbraw/zinc/82/14/10/1069821410.db2.gz YMUOSERJMLEYGI-MRXNPFEDSA-N 0 0 488.002 4.442 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(Cn2cccn2)cc1 ZINC001359530681 1069822012 /nfs/dbraw/zinc/82/20/12/1069822012.db2.gz MFQCJKMVWUEIGC-UHFFFAOYSA-N 0 0 476.547 4.053 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001359530615 1069822066 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(F)(F)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001316285454 1066042394 /nfs/dbraw/zinc/04/23/94/1066042394.db2.gz PEMWWEMETGPBPP-YOEHRIQHSA-N 0 0 476.446 4.026 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C[C@H](SC)C(C)(C)C ZINC001316286338 1066043174 /nfs/dbraw/zinc/04/31/74/1066043174.db2.gz IXZRLMGAYOBGOY-QOAPGFADSA-N 0 0 488.698 4.186 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001316286647 1066043775 /nfs/dbraw/zinc/04/37/75/1066043775.db2.gz SRAFVZOKGKCSCG-FDGPYGQJSA-N 0 0 486.657 4.479 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Nc3cccc(C)c3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001316286447 1066043858 /nfs/dbraw/zinc/04/38/58/1066043858.db2.gz LFCHYBGJKZOGJW-OYDLWJJNSA-N 0 0 485.673 4.453 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1CCCCS1 ZINC001316287761 1066045395 /nfs/dbraw/zinc/04/53/95/1066045395.db2.gz XUYMCBVIPCTBRK-BQFCYCMXSA-N 0 0 471.465 4.167 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1C[C@H](SC)C(C)(C)C ZINC001316287968 1066045956 /nfs/dbraw/zinc/04/59/56/1066045956.db2.gz ZCKSPAFKZVEZPU-WDRWKGISSA-N 0 0 492.661 4.017 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1Cc1ccc(I)cc1 ZINC001316290231 1066049196 /nfs/dbraw/zinc/04/91/96/1066049196.db2.gz DTKDPMKQWRPSLF-WMZOPIPTSA-N 0 0 496.393 4.034 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)c1ccc(C)cc1 ZINC001316290639 1066049741 /nfs/dbraw/zinc/04/97/41/1066049741.db2.gz IBJMAMQIWPHGAD-XGAJZPNHSA-N 0 0 497.684 4.245 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001316291255 1066051726 /nfs/dbraw/zinc/05/17/26/1066051726.db2.gz QWUUSICQDBFACO-YLAKUSLOSA-N 0 0 486.510 4.387 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2C)n1Cc1c(C)sc(C)c1Br ZINC001316292038 1066053051 /nfs/dbraw/zinc/05/30/51/1066053051.db2.gz MLWURAHZEXCYJY-QITLCBANSA-N 0 0 469.449 4.480 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001316292557 1066053823 /nfs/dbraw/zinc/05/38/23/1066053823.db2.gz YQKZKUIIZYTXFB-CMOCDZPBSA-N 0 0 491.677 4.274 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C(C)C)n1Cc1cccc(C(F)(F)F)n1 ZINC001316292913 1066054202 /nfs/dbraw/zinc/05/42/02/1066054202.db2.gz RMLRIRJNSHSWDM-IEZWGBDMSA-N 0 0 453.509 4.089 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1C[C@@H](OC)C(C)(C)C ZINC001316292989 1066054593 /nfs/dbraw/zinc/05/45/93/1066054593.db2.gz RWZPHUKMEUDXDZ-AFXVXQJMSA-N 0 0 456.631 4.275 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001316293417 1066054990 /nfs/dbraw/zinc/05/49/90/1066054990.db2.gz UOEPSCMFGFLNJY-LPHOPBHVSA-N 0 0 468.520 4.457 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001316293283 1066055178 /nfs/dbraw/zinc/05/51/78/1066055178.db2.gz OMTODOOSKRSGAV-NSXLHWASSA-N 0 0 479.021 4.108 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1CC[C@H](OC)C(F)(F)F ZINC001316294293 1066056044 /nfs/dbraw/zinc/05/60/44/1066056044.db2.gz ZWIFHKPDPARDIL-NRDMVMEKSA-N 0 0 498.546 4.320 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1C[C@@H](SC)C(C)(C)C ZINC001316298040 1066058867 /nfs/dbraw/zinc/05/88/67/1066058867.db2.gz BEJJJAVYWDIFMU-GPJHCHHRSA-N 0 0 488.698 4.228 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CCCC(C)C ZINC001316298787 1066059256 /nfs/dbraw/zinc/05/92/56/1066059256.db2.gz MOLKIBRBUYGNMK-NYVOZVTQSA-N 0 0 464.557 4.294 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C(C)C)C2)n1Cc1ccc(Cl)s1 ZINC001316300542 1066060724 /nfs/dbraw/zinc/06/07/24/1066060724.db2.gz LDLAIINUEBDDKA-LESCRADOSA-N 0 0 457.065 4.343 20 0 JIADRN CON(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001316303376 1066063639 /nfs/dbraw/zinc/06/36/39/1066063639.db2.gz VEODLJVXORXJOD-UHFFFAOYSA-N 0 0 483.370 4.066 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(COc4ccc(Cl)cc4Cl)n3CC(F)(F)F)CC[C@H]12 ZINC001316303328 1066063909 /nfs/dbraw/zinc/06/39/09/1066063909.db2.gz QOYDPGUIOYAJDF-BFHYXJOUSA-N 0 0 465.303 4.445 20 0 JIADRN CON(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001316304338 1066065294 /nfs/dbraw/zinc/06/52/94/1066065294.db2.gz LJEMTLXVXXTITG-LPHOPBHVSA-N 0 0 478.018 4.204 20 0 JIADRN CON(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC001316304967 1066065508 /nfs/dbraw/zinc/06/55/08/1066065508.db2.gz UHIHDSYWMHSGOF-OAQYLSRUSA-N 0 0 453.587 4.215 20 0 JIADRN CON(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1csc(C(C)C)n1 ZINC001316309566 1066067009 /nfs/dbraw/zinc/06/70/09/1066067009.db2.gz FLMILHOPMCGVCT-INIZCTEOSA-N 0 0 464.636 4.213 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001316312002 1066067874 /nfs/dbraw/zinc/06/78/74/1066067874.db2.gz GEUVLMDXIILTON-XMSQKQJNSA-N 0 0 475.387 4.050 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(F)(F)Br)C1 ZINC001316312794 1066068809 /nfs/dbraw/zinc/06/88/09/1066068809.db2.gz RFFPYPMWDVUYBE-GFCCVEGCSA-N 0 0 480.151 4.229 20 0 JIADRN CON(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001316312720 1066068941 /nfs/dbraw/zinc/06/89/41/1066068941.db2.gz GYQKCRWOVMZDEM-QAPCUYQASA-N 0 0 465.982 4.154 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCCCC2)C1 ZINC001316313229 1066069244 /nfs/dbraw/zinc/06/92/44/1066069244.db2.gz WCOCNQMOJGXFIG-OAHLLOKOSA-N 0 0 469.811 4.281 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001316313973 1066070278 /nfs/dbraw/zinc/07/02/78/1066070278.db2.gz JKBXTHRSJJGGID-LJQANCHMSA-N 0 0 498.653 4.469 20 0 JIADRN CON(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001316314721 1066070702 /nfs/dbraw/zinc/07/07/02/1066070702.db2.gz YNNZIGOJJUJENF-KRWDZBQOSA-N 0 0 490.571 4.012 20 0 JIADRN CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001316314825 1066070800 /nfs/dbraw/zinc/07/08/00/1066070800.db2.gz ZZSXLQCADMYDIY-QZTJIDSGSA-N 0 0 456.509 4.322 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001316315059 1066071143 /nfs/dbraw/zinc/07/11/43/1066071143.db2.gz XHOCHZHPNRRRFO-ABSDTBQOSA-N 0 0 477.581 4.038 20 0 JIADRN CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CSCCS2)C1 ZINC001316318638 1066074443 /nfs/dbraw/zinc/07/44/43/1066074443.db2.gz KKUVVHOCNDYMOY-WBVHZDCISA-N 0 0 457.090 4.298 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCO[C@H]2CCCC[C@H]2C)C1 ZINC001316319902 1066075530 /nfs/dbraw/zinc/07/55/30/1066075530.db2.gz YODXHOKPGBLSKT-CGXNFDGLSA-N 0 0 477.650 4.171 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001316320628 1066075783 /nfs/dbraw/zinc/07/57/83/1066075783.db2.gz ALAXYDJNILYFJH-JRGCBEDISA-N 0 0 491.608 4.332 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001316321110 1066076221 /nfs/dbraw/zinc/07/62/21/1066076221.db2.gz CYBWZAVJCRGXPY-LPHOPBHVSA-N 0 0 480.009 4.211 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCc2nccnc2C)C1 ZINC001316321117 1066076318 /nfs/dbraw/zinc/07/63/18/1066076318.db2.gz DEAVGXYGHXEOIA-ICSRJNTNSA-N 0 0 471.005 4.255 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001316321952 1066077278 /nfs/dbraw/zinc/07/72/78/1066077278.db2.gz KXGMJQFSRHRJKB-ISJBWFOZSA-N 0 0 468.598 4.378 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2ccc(F)cc2)C1 ZINC001316322740 1066078571 /nfs/dbraw/zinc/07/85/71/1066078571.db2.gz SRMFHMPAHQJNGS-KDOFPFPSSA-N 0 0 462.367 4.214 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCn2ccnc2C)C1 ZINC001316323261 1066079733 /nfs/dbraw/zinc/07/97/33/1066079733.db2.gz AROPSDRAPIUPKQ-IBGZPJMESA-N 0 0 473.419 4.226 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001316324634 1066081616 /nfs/dbraw/zinc/08/16/16/1066081616.db2.gz NPTGDFKWNDMUIE-IBGZPJMESA-N 0 0 461.994 4.223 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001316325311 1066082051 /nfs/dbraw/zinc/08/20/51/1066082051.db2.gz UZKJXHTZVYAKPQ-AEFFLSMTSA-N 0 0 475.659 4.271 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)cc2OCC(F)(F)F)C1 ZINC001316325916 1066082278 /nfs/dbraw/zinc/08/22/78/1066082278.db2.gz RWFYCRFZERQDAO-ZWKOTPCHSA-N 0 0 454.493 4.043 20 0 JIADRN CO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cc(Br)ccc2F)C1 ZINC001316326551 1066082933 /nfs/dbraw/zinc/08/29/33/1066082933.db2.gz LDTFWCZFGAKOKX-KRWDZBQOSA-N 0 0 480.407 4.003 20 0 JIADRN CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCSC(F)(F)F)C[C@@H]1OC ZINC001316328555 1066084234 /nfs/dbraw/zinc/08/42/34/1066084234.db2.gz IRPWXFUQXLEFHK-RYQLBKOJSA-N 0 0 474.549 4.138 20 0 JIADRN 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ZMMDDWIJFKSHIW-UHFFFAOYSA-N 0 0 483.617 4.496 20 0 JIADRN CSc1cc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)ccn1 ZINC001316415896 1066212934 /nfs/dbraw/zinc/21/29/34/1066212934.db2.gz YQDOFTYUKBXROA-OAHLLOKOSA-N 0 0 480.535 4.322 20 0 JIADRN CSc1cc(Cn2c(-c3ccccc3Br)nnc2N(C)Cc2cnccn2)ccn1 ZINC001316415897 1066213149 /nfs/dbraw/zinc/21/31/49/1066213149.db2.gz YQVNYSGBIGXLLL-UHFFFAOYSA-N 0 0 482.411 4.299 20 0 JIADRN CSc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cc(C)on2)ccn1 ZINC001316416072 1066214236 /nfs/dbraw/zinc/21/42/36/1066214236.db2.gz HBFLNCIYNLZQSN-UYAOXDASSA-N 0 0 456.616 4.295 20 0 JIADRN CSc1cc(Cn2c(COc3ccccc3F)nnc2N2CCSC(C)(C)C2)ccn1 ZINC001316416878 1066216134 /nfs/dbraw/zinc/21/61/34/1066216134.db2.gz PWNVMAMVRNBTTM-UHFFFAOYSA-N 0 0 459.616 4.493 20 0 JIADRN CSc1cccc(F)c1Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001316418263 1066219194 /nfs/dbraw/zinc/21/91/94/1066219194.db2.gz CXAIJTVNCRJUCP-ACJLOTCBSA-N 0 0 469.508 4.349 20 0 JIADRN Cc1cc([C@H](C)NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c(C)o1 ZINC001324501394 1066220729 /nfs/dbraw/zinc/22/07/29/1066220729.db2.gz CVPCXRVCKFFDTO-AWEZNQCLSA-N 0 0 453.520 4.242 20 0 JIADRN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC001324503376 1066221456 /nfs/dbraw/zinc/22/14/56/1066221456.db2.gz XSOLSCFTEXNAHA-UHFFFAOYSA-N 0 0 479.580 4.064 20 0 JIADRN CSc1cccc(F)c1Cn1c(CC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001316419271 1066221335 /nfs/dbraw/zinc/22/13/35/1066221335.db2.gz ZNMCTGBRWOPBHW-UHFFFAOYSA-N 0 0 472.634 4.313 20 0 JIADRN CSc1ccc(F)cc1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001316419753 1066223139 /nfs/dbraw/zinc/22/31/39/1066223139.db2.gz VQGMNKAJCNSLTR-LJQANCHMSA-N 0 0 459.635 4.273 20 0 JIADRN CSc1ccc(F)cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001316420367 1066224488 /nfs/dbraw/zinc/22/44/88/1066224488.db2.gz CYAZKRHZXQTWOR-INIZCTEOSA-N 0 0 478.659 4.272 20 0 JIADRN CSc1ccc(F)cc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001316420441 1066225061 /nfs/dbraw/zinc/22/50/61/1066225061.db2.gz GTIFVPOACZQGJK-GOSISDBHSA-N 0 0 499.616 4.138 20 0 JIADRN CSc1ccc(F)cc1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001316420806 1066225486 /nfs/dbraw/zinc/22/54/86/1066225486.db2.gz JKLPYCLJSKRIPM-UHFFFAOYSA-N 0 0 459.635 4.225 20 0 JIADRN Cc1nc(C)c(S(=O)(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)s1 ZINC001475113450 1066225845 /nfs/dbraw/zinc/22/58/45/1066225845.db2.gz IEPKJHHLYXEOIQ-GFCCVEGCSA-N 0 0 455.577 4.234 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCSC2)C1 ZINC001316421365 1066227629 /nfs/dbraw/zinc/22/76/29/1066227629.db2.gz CRCXMWDBUJLKDW-UWJYYQICSA-N 0 0 470.611 4.136 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCSC2)C1 ZINC001316421364 1066227753 /nfs/dbraw/zinc/22/77/53/1066227753.db2.gz CRCXMWDBUJLKDW-UTKZUKDTSA-N 0 0 470.611 4.136 20 0 JIADRN CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001316421538 1066228190 /nfs/dbraw/zinc/22/81/90/1066228190.db2.gz ONGWRYWCRWAWNU-UHFFFAOYSA-N 0 0 474.675 4.473 20 0 JIADRN O=C(NCc1ccc(-n2cnc3ccccc32)nc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001324830720 1066229240 /nfs/dbraw/zinc/22/92/40/1066229240.db2.gz JTMSJKOYKQVCJA-UHFFFAOYSA-N 0 0 474.996 4.491 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001316423234 1066234145 /nfs/dbraw/zinc/23/41/45/1066234145.db2.gz MOTNZKVYIWINIT-FQEVSTJZSA-N 0 0 453.612 4.307 20 0 JIADRN COc1cc(Br)c(OC)c(C(=O)NCc2cc(Br)c(OC)c(OC)c2)c1 ZINC001325027924 1066236556 /nfs/dbraw/zinc/23/65/56/1066236556.db2.gz SUPSOKROZGTWQO-UHFFFAOYSA-N 0 0 489.160 4.176 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCO[C@H]2C)C1 ZINC001316423764 1066237079 /nfs/dbraw/zinc/23/70/79/1066237079.db2.gz PVLXDLLNKMCEID-AQOAWAETSA-N 0 0 495.487 4.278 20 0 JIADRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1-c1ccccc1 ZINC001325123601 1066238293 /nfs/dbraw/zinc/23/82/93/1066238293.db2.gz SWWAAPOHNMKHBI-UHFFFAOYSA-N 0 0 456.546 4.068 20 0 JIADRN CSc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1Cc1c(C)nn(C)c1C ZINC001316424331 1066238837 /nfs/dbraw/zinc/23/88/37/1066238837.db2.gz LRGCOIHBOCPSAU-UHFFFAOYSA-N 0 0 467.668 4.391 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cnn(Cc3cccnc3)c2)CC1 ZINC001325218325 1066239788 /nfs/dbraw/zinc/23/97/88/1066239788.db2.gz GBOLZPJWXFZNLV-UHFFFAOYSA-N 0 0 476.581 4.147 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NC(C)C)C1 ZINC001316424678 1066240444 /nfs/dbraw/zinc/24/04/44/1066240444.db2.gz WGMPBYDYIOJXFQ-KRWDZBQOSA-N 0 0 480.476 4.263 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCOCC2)C1 ZINC001316425119 1066241885 /nfs/dbraw/zinc/24/18/85/1066241885.db2.gz YSKVQKKFFJHJBB-MRXNPFEDSA-N 0 0 499.450 4.110 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)(F)F)C1 ZINC001316425479 1066243167 /nfs/dbraw/zinc/24/31/67/1066243167.db2.gz AHTKUBAWVOTXTD-MRXNPFEDSA-N 0 0 494.543 4.001 20 0 JIADRN CS[C@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001316425511 1066243338 /nfs/dbraw/zinc/24/33/38/1066243338.db2.gz HMFNUGFIRUIEPC-JKSUJKDBSA-N 0 0 485.580 4.163 20 0 JIADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001325270418 1066243464 /nfs/dbraw/zinc/24/34/64/1066243464.db2.gz VJAGJSYEXOVADQ-JOCHJYFZSA-N 0 0 498.649 4.066 20 0 JIADRN CC(C)(C)OC(=O)N1CCC2(CCCN(S(=O)(=O)c3ccc(OC4CC4)cc3)C2)CC1 ZINC001475198626 1066243953 /nfs/dbraw/zinc/24/39/53/1066243953.db2.gz YQNYKXOWHSMXAG-UHFFFAOYSA-N 0 0 450.601 4.030 20 0 JIADRN Cc1cnn(CC2CC2)c1NC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001325337055 1066244288 /nfs/dbraw/zinc/24/42/88/1066244288.db2.gz IBYDGJJXOHWSLU-HXUWFJFHSA-N 0 0 496.633 4.449 20 0 JIADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001325366499 1066246128 /nfs/dbraw/zinc/24/61/28/1066246128.db2.gz XREWGSPWPKILNM-KRWDZBQOSA-N 0 0 498.164 4.323 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)n1 ZINC001492499396 1066247195 /nfs/dbraw/zinc/24/71/95/1066247195.db2.gz OTNQLJSRZOULCE-MZBSPYNJSA-N 0 0 467.639 4.083 20 0 JIADRN Cc1nnc(CCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001492499373 1066247658 /nfs/dbraw/zinc/24/76/58/1066247658.db2.gz OGGTZQVOUKZGIA-UHFFFAOYSA-N 0 0 471.537 4.289 20 0 JIADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001325419842 1066248429 /nfs/dbraw/zinc/24/84/29/1066248429.db2.gz QUARFENUHWWCSC-NTKDMRAZSA-N 0 0 479.621 4.327 20 0 JIADRN CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001325422419 1066249005 /nfs/dbraw/zinc/24/90/05/1066249005.db2.gz FTISRNBVJVBPBJ-UHFFFAOYSA-N 0 0 453.564 4.260 20 0 JIADRN CC(C)c1c(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001325423522 1066249215 /nfs/dbraw/zinc/24/92/15/1066249215.db2.gz GLOXOVVTDJOMIY-LJQANCHMSA-N 0 0 485.510 4.444 20 0 JIADRN Cc1ccc(C(=O)NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)s1 ZINC001325420284 1066249389 /nfs/dbraw/zinc/24/93/89/1066249389.db2.gz UYCPXTJFAFYVDT-UHFFFAOYSA-N 0 0 450.383 4.235 20 0 JIADRN O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001325425145 1066250340 /nfs/dbraw/zinc/25/03/40/1066250340.db2.gz VXPRLEUCISRXIF-UHFFFAOYSA-N 0 0 469.526 4.132 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(CCCc3ccccc3)n2CCC2(O)CCOCC2)C1 ZINC001316427472 1066250745 /nfs/dbraw/zinc/25/07/45/1066250745.db2.gz JAFNLORSEZKKOL-QFIPXVFZSA-N 0 0 458.672 4.107 20 0 JIADRN CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC001325467585 1066251888 /nfs/dbraw/zinc/25/18/88/1066251888.db2.gz MVJURCRTAJHPBH-UHFFFAOYSA-N 0 0 492.420 4.297 20 0 JIADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCNC(=O)CC2CCCCC2)cc1OC ZINC001325468135 1066252300 /nfs/dbraw/zinc/25/23/00/1066252300.db2.gz RJASHCIPLKMFIW-UHFFFAOYSA-N 0 0 490.604 4.373 20 0 JIADRN C[C@H](NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001325579390 1066255581 /nfs/dbraw/zinc/25/55/81/1066255581.db2.gz IIFCILPYQMWZGJ-AZUAARDMSA-N 0 0 478.597 4.255 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC2CCCCC2)C1 ZINC001316428394 1066255944 /nfs/dbraw/zinc/25/59/44/1066255944.db2.gz OGDAVHRZMNJXKN-GOSISDBHSA-N 0 0 477.625 4.318 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(-c3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001316428711 1066256602 /nfs/dbraw/zinc/25/66/02/1066256602.db2.gz VNGZQVTYWQTRAQ-MSOLQXFVSA-N 0 0 460.648 4.223 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C1 ZINC001316428774 1066257400 /nfs/dbraw/zinc/25/74/00/1066257400.db2.gz AFEIJCQHWFHRME-JOCHJYFZSA-N 0 0 471.671 4.336 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(Cc3ccsc3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001316428880 1066258152 /nfs/dbraw/zinc/25/81/52/1066258152.db2.gz TWUNUXXGVWLSRX-NRFANRHFSA-N 0 0 469.680 4.311 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)C1 ZINC001316429575 1066260463 /nfs/dbraw/zinc/26/04/63/1066260463.db2.gz 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ZINC001316480942 1066395800 /nfs/dbraw/zinc/39/58/00/1066395800.db2.gz VYCLAYPLPRBNCI-MPKWNAGQSA-N 0 0 467.422 4.428 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nccn1C(F)F ZINC001316481351 1066395976 /nfs/dbraw/zinc/39/59/76/1066395976.db2.gz FGLIEJVGJUOTTM-HNNXBMFYSA-N 0 0 477.585 4.315 20 0 JIADRN CCN(CC)Cc1csc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1 ZINC001334536394 1066396339 /nfs/dbraw/zinc/39/63/39/1066396339.db2.gz CGKZOYHUTCJWCV-UHFFFAOYSA-N 0 0 477.681 4.446 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001316481546 1066396833 /nfs/dbraw/zinc/39/68/33/1066396833.db2.gz IYVIMQQJGJZMSW-FQEVSTJZSA-N 0 0 481.666 4.262 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCS(C)(=O)=O ZINC001316482059 1066398298 /nfs/dbraw/zinc/39/82/98/1066398298.db2.gz OVBUYAIDDNAORF-SFHVURJKSA-N 0 0 457.644 4.190 20 0 JIADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCc3cccc(Br)c3C2)n1 ZINC001492524987 1066399991 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462.417 4.268 20 0 JIADRN C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2ccnc(C(C)(C)C)n2)C[C@@H]1O ZINC001316484806 1066404074 /nfs/dbraw/zinc/40/40/74/1066404074.db2.gz PETDGZPFMNOQBQ-GCJKJVERSA-N 0 0 483.060 4.450 20 0 JIADRN Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492525513 1066405701 /nfs/dbraw/zinc/40/57/01/1066405701.db2.gz SMICMEOJVSSNLZ-NRFANRHFSA-N 0 0 487.446 4.244 20 0 JIADRN C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1O ZINC001316485447 1066406036 /nfs/dbraw/zinc/40/60/36/1066406036.db2.gz WDYDQOOJQMSHLU-UTKZUKDTSA-N 0 0 490.048 4.129 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1 ZINC001492525682 1066406751 /nfs/dbraw/zinc/40/67/51/1066406751.db2.gz VNJAZXHSZGYPNQ-ZWKOTPCHSA-N 0 0 476.046 4.193 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCOC2)CCN1C(=O)OC(C)(C)C ZINC001316486851 1066408882 /nfs/dbraw/zinc/40/88/82/1066408882.db2.gz HCPODYNVVNWFKC-CVEARBPZSA-N 0 0 479.984 4.220 20 0 JIADRN Cc1cccc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CCCO)CC2)n1 ZINC001492525928 1066409477 /nfs/dbraw/zinc/40/94/77/1066409477.db2.gz ZWZINYAGBNDWKD-UHFFFAOYSA-N 0 0 490.652 4.472 20 0 JIADRN S=c1n(CN2CCCN3c4ccccc4C[C@@H]3C2)nc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC001335330976 1066410514 /nfs/dbraw/zinc/41/05/14/1066410514.db2.gz KJFZVPXTXSVMEY-UXHICEINSA-N 0 0 467.664 4.416 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCn2cc(Br)cn2)C[C@@H]1F ZINC001316487456 1066410625 /nfs/dbraw/zinc/41/06/25/1066410625.db2.gz RCAXZMUKNUGWFX-WBMJQRKESA-N 0 0 453.747 4.052 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@@H]1F ZINC001316487949 1066413140 /nfs/dbraw/zinc/41/31/40/1066413140.db2.gz VRDFRRFJVITGGK-QMMLZNLJSA-N 0 0 479.591 4.393 20 0 JIADRN Cc1cccc(CCCn2c(C3CC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492526174 1066413948 /nfs/dbraw/zinc/41/39/48/1066413948.db2.gz PEMARWINIQFNFZ-OAQYLSRUSA-N 0 0 454.619 4.327 20 0 JIADRN 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ZINC001492526991 1066418994 /nfs/dbraw/zinc/41/89/94/1066418994.db2.gz RQMGLHVLGDYQLV-UHFFFAOYSA-N 0 0 452.559 4.425 20 0 JIADRN Cc1cccc(CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)n1 ZINC001492526924 1066419137 /nfs/dbraw/zinc/41/91/37/1066419137.db2.gz QACNGAYUPAPIII-QFIPXVFZSA-N 0 0 484.645 4.159 20 0 JIADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCCc2cccc(C)n2)cs1 ZINC001492527034 1066419161 /nfs/dbraw/zinc/41/91/61/1066419161.db2.gz TXKCAZXOIVLEMU-QGZVFWFLSA-N 0 0 493.603 4.043 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)C[C@H]1C(F)(F)F ZINC001316489122 1066419332 /nfs/dbraw/zinc/41/93/32/1066419332.db2.gz HEENJTRIHADKLI-JFIYKMOQSA-N 0 0 466.552 4.137 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)c2ccccn2)CCN1C(=O)OC(C)(C)C ZINC001316489332 1066420264 /nfs/dbraw/zinc/42/02/64/1066420264.db2.gz MFZACRZAYBEKHH-WOJBJXKFSA-N 0 0 484.645 4.338 20 0 JIADRN Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 ZINC001492527230 1066420327 /nfs/dbraw/zinc/42/03/27/1066420327.db2.gz XXPGMOSRVAJZNO-OAQYLSRUSA-N 0 0 454.663 4.334 20 0 JIADRN Cc1cccc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492527427 1066421066 /nfs/dbraw/zinc/42/10/66/1066421066.db2.gz HKIOSMDKHPDKKD-UHFFFAOYSA-N 0 0 485.032 4.059 20 0 JIADRN Cc1cccc(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccon2)n1 ZINC001492527396 1066421346 /nfs/dbraw/zinc/42/13/46/1066421346.db2.gz GHEJBYNSDXUSKT-RVWIWJKTSA-N 0 0 481.601 4.009 20 0 JIADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[C@H]2CCCCO2)CCN1C(=O)OC(C)(C)C ZINC001316490609 1066424559 /nfs/dbraw/zinc/42/45/59/1066424559.db2.gz BFMHMFPQOWFXBA-TZIWHRDSSA-N 0 0 461.651 4.416 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C(F)(F)F ZINC001316490824 1066425724 /nfs/dbraw/zinc/42/57/24/1066425724.db2.gz GYICHXSRYMETGD-WRWLIDTKSA-N 0 0 494.512 4.480 20 0 JIADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCCCS(C)(=O)=O)C[C@H](c2ccc(F)cc2)O1 ZINC001316490821 1066425800 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KNVZJMCCVYSOHX-LJQANCHMSA-N 0 0 473.419 4.233 20 0 JIADRN COc1cc(CCNS(=O)(=O)c2cc(C)cc(F)c2)cc(OC)c1OCc1ccccc1 ZINC001475526245 1066430457 /nfs/dbraw/zinc/43/04/57/1066430457.db2.gz UHFWNFGSBPHFTJ-UHFFFAOYSA-N 0 0 459.539 4.251 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCSC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001316492433 1066431071 /nfs/dbraw/zinc/43/10/71/1066431071.db2.gz JUBQHYUTQZVWNP-FGTMMUONSA-N 0 0 465.664 4.107 20 0 JIADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCC2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001316492822 1066433062 /nfs/dbraw/zinc/43/30/62/1066433062.db2.gz ZKXNQZNAQLDKFR-OAQYLSRUSA-N 0 0 499.656 4.162 20 0 JIADRN Cc1cccc(CCn2c(-c3ccccn3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492528790 1066436042 /nfs/dbraw/zinc/43/60/42/1066436042.db2.gz DNBHACFNLGQTOM-UXHICEINSA-N 0 0 477.613 4.026 20 0 JIADRN C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1cccc(F)c1)NC(=O)OC(C)(C)C ZINC001316493796 1066436608 /nfs/dbraw/zinc/43/66/08/1066436608.db2.gz HPALFYMNJHDRMP-UZLBHIALSA-N 0 0 467.549 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CS(=O)(=O)c1cccc([C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)c2ccc(F)cc2)c1 ZINC001344532404 1066630449 /nfs/dbraw/zinc/63/04/49/1066630449.db2.gz SGRXHIHFUOGUDC-NRFANRHFSA-N 0 0 485.961 4.231 20 0 JIADRN CS(=O)(=O)c1cccc([C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)c2ccc(F)cc2)c1 ZINC001344532413 1066630529 /nfs/dbraw/zinc/63/05/29/1066630529.db2.gz SGRXHIHFUOGUDC-OAQYLSRUSA-N 0 0 485.961 4.231 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC001317690978 1066631151 /nfs/dbraw/zinc/63/11/51/1066631151.db2.gz ZTDYVYDFNCNOJQ-UHFFFAOYSA-N 0 0 480.753 4.001 20 0 JIADRN CCOc1ccc(CN(C)C(=O)CCC(=O)c2ccc(I)cc2)cc1OC ZINC001317698629 1066634705 /nfs/dbraw/zinc/63/47/05/1066634705.db2.gz OUOVMGIMYICQEZ-UHFFFAOYSA-N 0 0 481.330 4.320 20 0 JIADRN Cc1ccc(CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1C ZINC001317699142 1066635278 /nfs/dbraw/zinc/63/52/78/1066635278.db2.gz ZUXDDLBCDKACNT-UHFFFAOYSA-N 0 0 451.636 4.441 20 0 JIADRN C[C@]1(c2ccccc2Br)NC(=O)N(CN2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001317702563 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POLRZOGRMHDJAB-MRXNPFEDSA-N 0 0 457.600 4.193 20 0 JIADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(-c3nnc(-c4ccccc4Cl)o3)c12 ZINC001345494667 1066642134 /nfs/dbraw/zinc/64/21/34/1066642134.db2.gz QZSGLCDWYSSPMS-AWEZNQCLSA-N 0 0 469.954 4.347 20 0 JIADRN O=C(CCn1cnc2ccccc2c1=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC001345702128 1066645987 /nfs/dbraw/zinc/64/59/87/1066645987.db2.gz BJRVJHOOHDVXBD-HXUWFJFHSA-N 0 0 457.317 4.275 20 0 JIADRN CSc1ccccc1NC(=O)CN(C)C(=O)COC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC001317718773 1066646608 /nfs/dbraw/zinc/64/66/08/1066646608.db2.gz UPAXMUAAYVHJQA-FPLPWBNLSA-N 0 0 467.374 4.369 20 0 JIADRN CS(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c1 ZINC001317720106 1066646661 /nfs/dbraw/zinc/64/66/61/1066646661.db2.gz QOFBPLSSLLVMFS-UHFFFAOYSA-N 0 0 499.397 4.245 20 0 JIADRN O=C(OCc1nnc(-c2ccc(Br)cc2)o1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001345814274 1066647669 /nfs/dbraw/zinc/64/76/69/1066647669.db2.gz NWRSBDRNSSZWQW-CYBMUJFWSA-N 0 0 476.714 4.249 20 0 JIADRN 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JDIFBPVWQCUYMC-LJQANCHMSA-N 0 0 458.971 4.072 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)NCCN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)c2ccccc21 ZINC001317741511 1066659783 /nfs/dbraw/zinc/65/97/83/1066659783.db2.gz NNEBDYDYVGHNNR-AREJXAQWSA-N 0 0 491.613 4.287 20 0 JIADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001346533930 1066660389 /nfs/dbraw/zinc/66/03/89/1066660389.db2.gz QFFWKUSWFYPDAX-UHFFFAOYSA-N 0 0 494.948 4.108 20 0 JIADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC2CCN(CC(F)(F)F)CC2)c1 ZINC001492542806 1066661703 /nfs/dbraw/zinc/66/17/03/1066661703.db2.gz UCASRBJCKAOZID-BGYRXZFFSA-N 0 0 495.590 4.444 20 0 JIADRN COC(=O)C[C@H](NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)c1ccc(C)cc1 ZINC001317745772 1066662409 /nfs/dbraw/zinc/66/24/09/1066662409.db2.gz MXNIHBUJMSQWRP-FQEVSTJZSA-N 0 0 487.478 4.420 20 0 JIADRN COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(OC)cc(Br)c2OC)C(C)C)cc1 ZINC001317748708 1066664398 /nfs/dbraw/zinc/66/43/98/1066664398.db2.gz HBKRKSURIIKPNZ-SFHVURJKSA-N 0 0 466.328 4.295 20 0 JIADRN C[C@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001317748973 1066664481 /nfs/dbraw/zinc/66/44/81/1066664481.db2.gz FUKBEOHAXDPDEF-KRWDZBQOSA-N 0 0 485.569 4.293 20 0 JIADRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCc1nnc(-c2ccccc2Br)o1 ZINC001317751015 1066666734 /nfs/dbraw/zinc/66/67/34/1066666734.db2.gz WVWBLGXRNZTUGC-CYBMUJFWSA-N 0 0 454.280 4.058 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cccc(C)c2)ccc1Cl ZINC001317753271 1066668207 /nfs/dbraw/zinc/66/82/07/1066668207.db2.gz FGFOKSQLSRLSNB-UHFFFAOYSA-N 0 0 460.987 4.425 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC001317752311 1066668253 /nfs/dbraw/zinc/66/82/53/1066668253.db2.gz TXWFGVMPZNMVJP-UHFFFAOYSA-N 0 0 478.574 4.378 20 0 JIADRN Cc1cccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCCCCC2)c1 ZINC001492543699 1066668822 /nfs/dbraw/zinc/66/88/22/1066668822.db2.gz UPRINHRLGYTZIN-OAQYLSRUSA-N 0 0 499.656 4.354 20 0 JIADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCc3nccn3Cc3ccccc3)cc2)cc1 ZINC001347051654 1066669841 /nfs/dbraw/zinc/66/98/41/1066669841.db2.gz LPWZQUCLKHSOGA-UHFFFAOYSA-N 0 0 461.543 4.398 20 0 JIADRN NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001347021499 1066669987 /nfs/dbraw/zinc/66/99/87/1066669987.db2.gz OXJSJKGQLRVQRA-UHFFFAOYSA-N 0 0 490.368 4.096 20 0 JIADRN Cc1cc(=O)oc2cc(OCC(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc12 ZINC001317757518 1066670564 /nfs/dbraw/zinc/67/05/64/1066670564.db2.gz XZXRXTZSWIMPCP-ZWKOTPCHSA-N 0 0 459.498 4.443 20 0 JIADRN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1)NCC(=O)N1CCCC1 ZINC001317763626 1066673537 /nfs/dbraw/zinc/67/35/37/1066673537.db2.gz DCIFQASMBJJRLU-SDXDJHTJSA-N 0 0 489.597 4.069 20 0 JIADRN COc1cccc([C@H]2NC(=S)N(c3ccc(F)cc3)C(C)=C2C(=O)N(C)C)c1OC(C)C ZINC001317760834 1066673768 /nfs/dbraw/zinc/67/37/68/1066673768.db2.gz VHCVCAWHWUSVTR-OAQYLSRUSA-N 0 0 457.571 4.420 20 0 JIADRN 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CCn1c(SCC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC001322273961 1067268893 /nfs/dbraw/zinc/26/88/93/1067268893.db2.gz HAKQTFLBZQVEFL-HXUWFJFHSA-N 0 0 484.025 4.132 20 0 JIADRN Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCC(Nc4ccccc4)CC3)cc2)cc1 ZINC001322277198 1067269350 /nfs/dbraw/zinc/26/93/50/1067269350.db2.gz RTOKIJFYWLJDCM-UHFFFAOYSA-N 0 0 486.615 4.028 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001200814315 1067270510 /nfs/dbraw/zinc/27/05/10/1067270510.db2.gz NGXFQOKEMCHCIR-UHFFFAOYSA-N 0 0 479.433 4.287 20 0 JIADRN COC(=O)c1ccc(OC(=O)Cc2sc(CC(F)(F)F)nc2C)c(Br)c1 ZINC001352020876 1067270750 /nfs/dbraw/zinc/27/07/50/1067270750.db2.gz JHCBPEAILDTMOR-UHFFFAOYSA-N 0 0 452.248 4.254 20 0 JIADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC001352020062 1067270899 /nfs/dbraw/zinc/27/08/99/1067270899.db2.gz XQLOVGJQKOWZFY-HXUWFJFHSA-N 0 0 458.605 4.257 20 0 JIADRN Cc1cc(C(=O)NC2CCN(C(=O)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)CC2)no1 ZINC001322293919 1067271334 /nfs/dbraw/zinc/27/13/34/1067271334.db2.gz VPLXBQWYOPREQV-JOCHJYFZSA-N 0 0 471.561 4.200 20 0 JIADRN COC(=O)c1ccc(OC(=O)[C@@H]2COc3ccc(Br)cc32)c(Br)c1 ZINC001352022464 1067271352 /nfs/dbraw/zinc/27/13/52/1067271352.db2.gz SOZUYOPUXNQLEB-GFCCVEGCSA-N 0 0 456.086 4.080 20 0 JIADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCc2ccc(F)c(Br)c2)nc1 ZINC001354906465 1067271681 /nfs/dbraw/zinc/27/16/81/1067271681.db2.gz QDBSBBYQVLBAKH-UHFFFAOYSA-N 0 0 452.324 4.232 20 0 JIADRN COc1ccc2ccc(OC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc2c1 ZINC001352027012 1067272023 /nfs/dbraw/zinc/27/20/23/1067272023.db2.gz XBQKTDFHRSVRLK-QGZVFWFLSA-N 0 0 451.953 4.322 20 0 JIADRN CC(C)(C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001322304597 1067272055 /nfs/dbraw/zinc/27/20/55/1067272055.db2.gz UEDYONSSRPIPHM-OAHLLOKOSA-N 0 0 490.423 4.284 20 0 JIADRN NC(=O)C1CCN(c2ccccc2NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001322306205 1067272709 /nfs/dbraw/zinc/27/27/09/1067272709.db2.gz DVZCPVIQHBLFPJ-UHFFFAOYSA-N 0 0 454.983 4.341 20 0 JIADRN CN(Cc1ccccc1OC(F)(F)F)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001352033184 1067272817 /nfs/dbraw/zinc/27/28/17/1067272817.db2.gz BTDZUGNKLCJZCB-CQSZACIVSA-N 0 0 457.246 4.432 20 0 JIADRN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC001352030445 1067272945 /nfs/dbraw/zinc/27/29/45/1067272945.db2.gz NLZZSXRXSKPBID-UHFFFAOYSA-N 0 0 452.725 4.344 20 0 JIADRN COc1ccc(C(=O)CCC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1F ZINC001300751666 1067273054 /nfs/dbraw/zinc/27/30/54/1067273054.db2.gz FDBLDZRGAXBTNV-WBVHZDCISA-N 0 0 477.168 4.152 20 0 JIADRN Cc1nc(C2CCCCC2)sc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001352038350 1067273300 /nfs/dbraw/zinc/27/33/00/1067273300.db2.gz AGKPKUGBERKJEC-UHFFFAOYSA-N 0 0 450.630 4.068 20 0 JIADRN COc1ccc(CCCC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c(OC)c1 ZINC001300751997 1067273561 /nfs/dbraw/zinc/27/35/61/1067273561.db2.gz GPDFMWPRRGYHMG-AEFFLSMTSA-N 0 0 475.221 4.381 20 0 JIADRN Cc1nn(C)c(C)c1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC001354908529 1067274254 /nfs/dbraw/zinc/27/42/54/1067274254.db2.gz SHIBZMSQJZTLJG-HXUWFJFHSA-N 0 0 459.015 4.046 20 0 JIADRN CO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001300752486 1067275456 /nfs/dbraw/zinc/27/54/56/1067275456.db2.gz DCZADCDYOHLBFP-CTNGQTDRSA-N 0 0 470.593 4.382 20 0 JIADRN CC(C)(C)OC(=O)CN(C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc2c(c1)OCO2 ZINC001354910775 1067275487 /nfs/dbraw/zinc/27/54/87/1067275487.db2.gz MCMLUPLELKILIW-MRXNPFEDSA-N 0 0 458.942 4.270 20 0 JIADRN Cc1cccc(OCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001492550178 1067276009 /nfs/dbraw/zinc/27/60/09/1067276009.db2.gz AGENIVIMAYAAFS-IFMALSPDSA-N 0 0 469.630 4.038 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCO[C@H]2[C@H]1CC[C@H]2COc1ncccn1 ZINC001200815822 1067276175 /nfs/dbraw/zinc/27/61/75/1067276175.db2.gz YRYJONDBFZWENG-FDQGKXFDSA-N 0 0 453.395 4.347 20 0 JIADRN Cc1csc(CCCNC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)n1 ZINC001322325261 1067276409 /nfs/dbraw/zinc/27/64/09/1067276409.db2.gz WOBJJFWWPXHRCX-UHFFFAOYSA-N 0 0 482.002 4.432 20 0 JIADRN Cc1ccc(NC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000847162422 1067276678 /nfs/dbraw/zinc/27/66/78/1067276678.db2.gz LBKRKZZUTHVRNG-ZDUSSCGKSA-N 0 0 491.368 4.070 20 0 JIADRN O=C(Nc1cccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1)[C@H]1Cc2ccccc2O1 ZINC001322334952 1067278021 /nfs/dbraw/zinc/27/80/21/1067278021.db2.gz WHAHIKDGESGCIB-CLJLJLNGSA-N 0 0 481.552 4.217 20 0 JIADRN C[C@]12CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCO4)C[C@H]1C2(Br)Br ZINC001300753303 1067278015 /nfs/dbraw/zinc/27/80/15/1067278015.db2.gz WWAIVCLDIPXOBU-CJNGLKHVSA-N 0 0 479.596 4.008 20 0 JIADRN CO[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCC2(F)F)C1 ZINC001300753171 1067278110 /nfs/dbraw/zinc/27/81/10/1067278110.db2.gz GYEUHCGHVZSLEJ-MJGOQNOKSA-N 0 0 481.975 4.302 20 0 JIADRN 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ZINC001164778728 721346516 /nfs/dbraw/zinc/34/65/16/721346516.db2.gz OGVLDJKMTSJEQL-XMMPIXPASA-N 0 0 471.989 4.016 20 0 JIADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]2C1 ZINC001164887544 721349328 /nfs/dbraw/zinc/34/93/28/721349328.db2.gz VHRSBXUSMZKLFC-RXVVDRJESA-N 0 0 457.908 4.411 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C(=O)Nc4ccccc4)ccn3)C2)C1 ZINC001164776852 721351456 /nfs/dbraw/zinc/35/14/56/721351456.db2.gz DKRJCLXZATYWRV-HHHXNRCGSA-N 0 0 475.593 4.058 20 0 JIADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]2C1 ZINC001164886461 721351932 /nfs/dbraw/zinc/35/19/32/721351932.db2.gz SURABQJQCSFLBR-WIYYLYMNSA-N 0 0 457.908 4.411 20 0 JIADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]2C1 ZINC001164887512 721351981 /nfs/dbraw/zinc/35/19/81/721351981.db2.gz VAIRAUZDRUTEGI-SIKLNZKXSA-N 0 0 484.934 4.319 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164776462 721352789 /nfs/dbraw/zinc/35/27/89/721352789.db2.gz BUUDWHVXOJJTIH-AREMUKBSSA-N 0 0 498.027 4.433 20 0 JIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164881897 721361339 /nfs/dbraw/zinc/36/13/39/721361339.db2.gz GVLVFDYHHFNAMW-UHFFFAOYSA-N 0 0 499.953 4.091 20 0 JIADRN O=C1CO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]2N1c1cccc(F)c1 ZINC001164883586 721366900 /nfs/dbraw/zinc/36/69/00/721366900.db2.gz QISXMNAUVDQXHH-UXHICEINSA-N 0 0 474.870 4.102 20 0 JIADRN COCCN1CCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)Cc2cccnc21 ZINC001164888106 721370018 /nfs/dbraw/zinc/37/00/18/721370018.db2.gz UEYVKHRDJOTYAO-UHFFFAOYSA-N 0 0 463.891 4.349 20 0 JIADRN Cn1cc(N2C[C@]3(CCN(C(F)(F)Oc4ccccc4-c4cccc(Cl)n4)C3)CC2=O)cn1 ZINC001164884719 721373775 /nfs/dbraw/zinc/37/37/75/721373775.db2.gz DTHWLTFWVMCPHV-JOCHJYFZSA-N 0 0 473.911 4.194 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nnc(-c4ccccc4F)cc3C)C2)C1 ZINC001164780621 721374552 /nfs/dbraw/zinc/37/45/52/721374552.db2.gz HFDWDHCKKGOIKH-AREMUKBSSA-N 0 0 465.573 4.315 20 0 JIADRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164891853 721376611 /nfs/dbraw/zinc/37/66/11/721376611.db2.gz QVNMDRYDZSALSO-HXUWFJFHSA-N 0 0 470.973 4.126 20 0 JIADRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164779705 721381683 /nfs/dbraw/zinc/38/16/83/721381683.db2.gz CFLYWDWAVFCCRP-QIJUGHKUSA-N 0 0 499.949 4.151 20 0 JIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786180 721382899 /nfs/dbraw/zinc/38/28/99/721382899.db2.gz UFJPRUGJAYQORN-BEFAXECRSA-N 0 0 459.324 4.316 20 0 JIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)c(Cl)n1 ZINC001164787928 721384261 /nfs/dbraw/zinc/38/42/61/721384261.db2.gz YGJREBUSURXCRK-VGSWGCGISA-N 0 0 481.927 4.054 20 0 JIADRN COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164788422 721401658 /nfs/dbraw/zinc/40/16/58/721401658.db2.gz RTZDLVCYKKGSJH-ROUUACIJSA-N 0 0 461.566 4.469 20 0 JIADRN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791113 721426483 /nfs/dbraw/zinc/42/64/83/721426483.db2.gz ZQIURYZGLPVUHS-RTBURBONSA-N 0 0 468.696 4.319 20 0 JIADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)CC2 ZINC001164782059 721441410 /nfs/dbraw/zinc/44/14/10/721441410.db2.gz IKLLYTDXFDMEKI-SFHVURJKSA-N 0 0 492.046 4.274 20 0 JIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(C)nc(Cl)n2)CCO3)cs1 ZINC001164780963 721443511 /nfs/dbraw/zinc/44/35/11/721443511.db2.gz DFQFSZCDKPJGFJ-BEFAXECRSA-N 0 0 458.962 4.341 20 0 JIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(C)nnc2Cl)CCO3)cs1 ZINC001164785144 721444985 /nfs/dbraw/zinc/44/49/85/721444985.db2.gz RSPXKTBHGNUYJT-BEFAXECRSA-N 0 0 458.962 4.341 20 0 JIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)Oc3ccc4nc(Cl)c(Cl)nc4c3)CC[C@@H]21 ZINC001164893228 721463831 /nfs/dbraw/zinc/46/38/31/721463831.db2.gz RXYSWAITIRQBMX-LRDDRELGSA-N 0 0 459.324 4.445 20 0 JIADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(Cl)nn1 ZINC001164895020 721468202 /nfs/dbraw/zinc/46/82/02/721468202.db2.gz YZVSEAYVGGFTTC-HNAYVOBHSA-N 0 0 464.944 4.434 20 0 JIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164893658 721468783 /nfs/dbraw/zinc/46/87/83/721468783.db2.gz STUFKBGETUTUQU-MRXNPFEDSA-N 0 0 470.911 4.273 20 0 JIADRN FC(F)(N1Cc2nccn2C[C@H](COCc2ccccn2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164894388 721470456 /nfs/dbraw/zinc/47/04/56/721470456.db2.gz XDJXSCSEDQHJRP-KRWDZBQOSA-N 0 0 459.928 4.300 20 0 JIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164896858 721475010 /nfs/dbraw/zinc/47/50/10/721475010.db2.gz YLWDFRDQQWLTRD-JOCHJYFZSA-N 0 0 457.912 4.385 20 0 JIADRN CCOC[C@H]1CN(C(F)(F)c2cc(-c3ccc(OC)cc3)nnc2Cl)Cc2cnn(C)c21 ZINC001164792122 721478369 /nfs/dbraw/zinc/47/83/69/721478369.db2.gz LSSTWKXRQYEGBN-MRXNPFEDSA-N 0 0 463.916 4.224 20 0 JIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3OC)nnc2Cl)Cc2cnn(C)c21 ZINC001164792927 721478474 /nfs/dbraw/zinc/47/84/74/721478474.db2.gz QETNRIXQSWSGRL-HNNXBMFYSA-N 0 0 463.916 4.224 20 0 JIADRN CCOC[C@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)Cc2cnn(C)c21 ZINC001164792829 721478513 /nfs/dbraw/zinc/47/85/13/721478513.db2.gz PWYXSBYCVMWVIW-OAHLLOKOSA-N 0 0 451.880 4.355 20 0 JIADRN O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21)N1CCCO1 ZINC001164790954 721480596 /nfs/dbraw/zinc/48/05/96/721480596.db2.gz HVIGRFZPXKLDTL-IDHHARJASA-N 0 0 486.346 4.482 20 0 JIADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164893872 721486302 /nfs/dbraw/zinc/48/63/02/721486302.db2.gz FGZFOYWPRFBJBV-CYBMUJFWSA-N 0 0 464.307 4.211 20 0 JIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164895642 721486595 /nfs/dbraw/zinc/48/65/95/721486595.db2.gz MNZIGRWJIGCLDC-MRXNPFEDSA-N 0 0 455.900 4.072 20 0 JIADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164897126 721486833 /nfs/dbraw/zinc/48/68/33/721486833.db2.gz RLWTYOJWCCNHGZ-CYBMUJFWSA-N 0 0 464.307 4.211 20 0 JIADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164791071 721487540 /nfs/dbraw/zinc/48/75/40/721487540.db2.gz AMEQNOQINORVOP-OPAMFIHVSA-N 0 0 476.886 4.408 20 0 JIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164791069 721487748 /nfs/dbraw/zinc/48/77/48/721487748.db2.gz AMEQNOQINORVOP-KSFYIVLOSA-N 0 0 476.886 4.408 20 0 JIADRN COc1ccccc1-c1cc(C(F)(F)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)c(Cl)nn1 ZINC001164896441 721487959 /nfs/dbraw/zinc/48/79/59/721487959.db2.gz PAMLDXGXYBFERM-MRXNPFEDSA-N 0 0 485.926 4.080 20 0 JIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164899787 721493599 /nfs/dbraw/zinc/49/35/99/721493599.db2.gz LDPHTWKDKCPVJR-JGGQBBKZSA-N 0 0 486.379 4.155 20 0 JIADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164900652 721497333 /nfs/dbraw/zinc/49/73/33/721497333.db2.gz RJWFFTUTDZYPIT-RYQLBKOJSA-N 0 0 455.933 4.273 20 0 JIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164897395 721500761 /nfs/dbraw/zinc/50/07/61/721500761.db2.gz LLZMPKZHTFGQLO-FQEVSTJZSA-N 0 0 478.971 4.490 20 0 JIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164895718 721500873 /nfs/dbraw/zinc/50/08/73/721500873.db2.gz FATCQUHUXWFQMN-INIZCTEOSA-N 0 0 470.923 4.115 20 0 JIADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CCOC[C@@H]4NC(=O)C(C)C)CC3)c2c1C ZINC001164899470 721501853 /nfs/dbraw/zinc/50/18/53/721501853.db2.gz YUBWCVNSSWYFRN-NRFANRHFSA-N 0 0 499.725 4.442 20 0 JIADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)n1 ZINC001164896037 721505305 /nfs/dbraw/zinc/50/53/05/721505305.db2.gz GSMIQYLBZCITLN-OAQYLSRUSA-N 0 0 498.656 4.458 20 0 JIADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164895340 721505346 /nfs/dbraw/zinc/50/53/46/721505346.db2.gz CGMQAUXVFNUJLO-LJQANCHMSA-N 0 0 469.923 4.380 20 0 JIADRN O=C(c1cccnc1N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164794507 721506342 /nfs/dbraw/zinc/50/63/42/721506342.db2.gz ADXANJSRPXUXFW-QCDSWUKFSA-N 0 0 497.643 4.120 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803717 721536677 /nfs/dbraw/zinc/53/66/77/721536677.db2.gz IWXFSEQVPAVQRK-NJYVYQBISA-N 0 0 459.928 4.091 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801413 721550688 /nfs/dbraw/zinc/55/06/88/721550688.db2.gz FHFBMIKHFADICA-CYXNTTPDSA-N 0 0 478.600 4.469 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164799093 721551393 /nfs/dbraw/zinc/55/13/93/721551393.db2.gz ASGRFVHFRMGERC-VAMGGRTRSA-N 0 0 477.918 4.230 20 0 JIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001164904387 721571911 /nfs/dbraw/zinc/57/19/11/721571911.db2.gz UNQWWFDUONFENQ-ZHZUQJFRSA-N 0 0 467.875 4.307 20 0 JIADRN CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805444 721575970 /nfs/dbraw/zinc/57/59/70/721575970.db2.gz OAAKJVWWCDZZNK-ZFGGDYGUSA-N 0 0 480.996 4.328 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809643 721578760 /nfs/dbraw/zinc/57/87/60/721578760.db2.gz UHKCXLUATPNPPS-VDKIKQQVSA-N 0 0 477.996 4.251 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@H]2CCCO[C@H]12 ZINC001164805141 721579589 /nfs/dbraw/zinc/57/95/89/721579589.db2.gz KTLDCARAZWLDBM-MZKRTTBSSA-N 0 0 458.591 4.017 20 0 JIADRN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164906316 721580794 /nfs/dbraw/zinc/58/07/94/721580794.db2.gz ZZQJTGBBROTYET-QHCPKHFHSA-N 0 0 487.938 4.493 20 0 JIADRN COc1cccc(CN2C[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4C)CC[C@H]3S2(=O)=O)c1 ZINC001164803432 721592580 /nfs/dbraw/zinc/59/25/80/721592580.db2.gz ICEOVRVSBQOGPN-PKOBYXMFSA-N 0 0 485.984 4.028 20 0 JIADRN 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ZINC001316457761 1066347925 /nfs/dbraw/zinc/34/79/25/1066347925.db2.gz GQKPFNAFJIUHLF-UHFFFAOYSA-N 0 0 473.643 4.086 20 0 JIADRN O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001330225932 1066348348 /nfs/dbraw/zinc/34/83/48/1066348348.db2.gz RPITXNFXVYIPNL-INIZCTEOSA-N 0 0 455.308 4.121 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)n1 ZINC001492511965 1066348782 /nfs/dbraw/zinc/34/87/82/1066348782.db2.gz QMCSNLYWTZQJRJ-MISYRCLQSA-N 0 0 454.619 4.436 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC001330237027 1066348827 /nfs/dbraw/zinc/34/88/27/1066348827.db2.gz ZAEASJWNWYDXGK-UHFFFAOYSA-N 0 0 472.950 4.403 20 0 JIADRN CSCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001316458501 1066349452 /nfs/dbraw/zinc/34/94/52/1066349452.db2.gz YKOHRMMOPMSUGH-HNNXBMFYSA-N 0 0 475.055 4.142 20 0 JIADRN CSCCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001316458555 1066349741 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CSCCCCn1c(C2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001316462140 1066358565 /nfs/dbraw/zinc/35/85/65/1066358565.db2.gz OJTZTMPPTNLGTJ-UHFFFAOYSA-N 0 0 451.999 4.054 20 0 JIADRN CSCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001316462007 1066358685 /nfs/dbraw/zinc/35/86/85/1066358685.db2.gz KTAOKICAHGMGHC-IRXDYDNUSA-N 0 0 461.701 4.366 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)n1 ZINC001492515177 1066360066 /nfs/dbraw/zinc/36/00/66/1066360066.db2.gz WVJZLTCPAIKJNH-STTRJGPESA-N 0 0 484.645 4.035 20 0 JIADRN CSCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCCCC1 ZINC001316463057 1066360626 /nfs/dbraw/zinc/36/06/26/1066360626.db2.gz RBSINJBUFNIVGL-UHFFFAOYSA-N 0 0 465.689 4.108 20 0 JIADRN Cc1cc(Br)c(F)cc1S(=O)(=O)NCCc1cccc(Br)c1 ZINC001475371941 1066360774 /nfs/dbraw/zinc/36/07/74/1066360774.db2.gz FPYSSNNXJGDYGS-UHFFFAOYSA-N 0 0 451.155 4.180 20 0 JIADRN CSCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001316463177 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COC(=O)c1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)nc4)c3)[C@@H](C)C2)cc1 ZINC001358327107 1068067423 /nfs/dbraw/zinc/06/74/23/1068067423.db2.gz XEUNFGIBCRQDLL-FQEVSTJZSA-N 0 0 459.546 4.107 20 0 JIADRN O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC001353374016 1068068152 /nfs/dbraw/zinc/06/81/52/1068068152.db2.gz YHKPZSROEGYVDA-UHFFFAOYSA-N 0 0 459.428 4.257 20 0 JIADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(OC)c3)CC2)cc1 ZINC001358336070 1068068580 /nfs/dbraw/zinc/06/85/80/1068068580.db2.gz BJHHHGDYGSWLRJ-MRXNPFEDSA-N 0 0 450.988 4.009 20 0 JIADRN COc1ccc(NC(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)cc1Br ZINC001200321260 1068068932 /nfs/dbraw/zinc/06/89/32/1068068932.db2.gz PXAUCXHKXQUPEN-KRWDZBQOSA-N 0 0 451.271 4.381 20 0 JIADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001358340237 1068069775 /nfs/dbraw/zinc/06/97/75/1068069775.db2.gz VZBZZFNDSJUNLE-AWEZNQCLSA-N 0 0 458.385 4.194 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCc3ccc(Cl)nc3C2)n1CC[S@@](=O)C(C)(C)C ZINC001492565665 1068069991 /nfs/dbraw/zinc/06/99/91/1068069991.db2.gz JIGVEIIMZHTLCT-WJOKGBTCSA-N 0 0 458.031 4.412 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccsc2)cc1 ZINC001300280236 1068070365 /nfs/dbraw/zinc/07/03/65/1068070365.db2.gz FVHDQVXEXOEEKM-IBGZPJMESA-N 0 0 499.637 4.273 20 0 JIADRN COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1Sc1nnnn1C ZINC001358342724 1068070429 /nfs/dbraw/zinc/07/04/29/1068070429.db2.gz PXDNUPRJJGTDCX-UHFFFAOYSA-N 0 0 454.737 4.038 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](C)c2nccs2)cc1 ZINC001300280637 1068071451 /nfs/dbraw/zinc/07/14/51/1068071451.db2.gz GSXNCKQPXGDWLQ-OAHLLOKOSA-N 0 0 497.543 4.020 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCO1 ZINC001492564812 1068071505 /nfs/dbraw/zinc/07/15/05/1068071505.db2.gz SPVMRDCJSPPBCI-HXUWFJFHSA-N 0 0 455.603 4.316 20 0 JIADRN COC(=O)c1occc1CN(C(=O)C[C@@H]1CSc2ccccc2O1)[C@H](C)c1ccccn1 ZINC001358349143 1068071704 /nfs/dbraw/zinc/07/17/04/1068071704.db2.gz MKNXBIYUAUBQCU-SJLPKXTDSA-N 0 0 452.532 4.494 20 0 JIADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)CCCC[C@H]12 ZINC001358348917 1068071864 /nfs/dbraw/zinc/07/18/64/1068071864.db2.gz KPEAYPILMMPKKA-RXFWQSSRSA-N 0 0 480.565 4.481 20 0 JIADRN COC(=O)c1occc1CN(C(=O)Cc1c(C)nn(CC2CC2)c1C)[C@@H](C)c1ccccn1 ZINC001358349204 1068071907 /nfs/dbraw/zinc/07/19/07/1068071907.db2.gz NDOYPSZSRUIAJU-SFHVURJKSA-N 0 0 450.539 4.017 20 0 JIADRN CN1c2ccc(C(=O)NCCCOc3ncc(C(F)(F)F)cc3Cl)cc2C(C)(C)C1=O ZINC001358350396 1068072447 /nfs/dbraw/zinc/07/24/47/1068072447.db2.gz BSNXZZJFYJEZHK-UHFFFAOYSA-N 0 0 455.864 4.207 20 0 JIADRN Cc1ccc(CNC(=S)N[C@H]2CC[C@H](NC(=O)c3cccc(Br)c3)CC2)cc1 ZINC001200322262 1068072323 /nfs/dbraw/zinc/07/23/23/1068072323.db2.gz BZLPFJHEACDERG-MXVIHJGJSA-N 0 0 460.441 4.463 20 0 JIADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)CCc4ccccc4C3)CC2)cc1 ZINC001353381172 1068072857 /nfs/dbraw/zinc/07/28/57/1068072857.db2.gz BQSKGJUBSSVDGL-IBVKSMDESA-N 0 0 454.636 4.228 20 0 JIADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c4ccncc34)CC2)cc1 ZINC001353382371 1068073323 /nfs/dbraw/zinc/07/33/23/1068073323.db2.gz LQUVUFXHEOJFHU-QGZVFWFLSA-N 0 0 455.555 4.034 20 0 JIADRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OC(C)(C)C4)CC2)cc1 ZINC001353383037 1068073749 /nfs/dbraw/zinc/07/37/49/1068073749.db2.gz TUCADJTZPUVSQL-SFHVURJKSA-N 0 0 456.608 4.060 20 0 JIADRN CS(=O)(=O)CC[C@@H](C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1 ZINC001358356633 1068074041 /nfs/dbraw/zinc/07/40/41/1068074041.db2.gz UZFBQTCWTUSZEF-JOCHJYFZSA-N 0 0 454.617 4.468 20 0 JIADRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC001353383244 1068074138 /nfs/dbraw/zinc/07/41/38/1068074138.db2.gz XBECNNNYQSUZKW-PDIWNELESA-N 0 0 461.027 4.490 20 0 JIADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C(\C)c3ccc(OC)cc3)CC2)cc1 ZINC001353383482 1068074597 /nfs/dbraw/zinc/07/45/97/1068074597.db2.gz ZTNNRCCZZHSKHG-LFVOPCPISA-N 0 0 456.608 4.145 20 0 JIADRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC001358364155 1068075581 /nfs/dbraw/zinc/07/55/81/1068075581.db2.gz ZXSOVKVWWOZHJM-QGZVFWFLSA-N 0 0 453.764 4.196 20 0 JIADRN C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)c1cccc(Cl)c1F ZINC001358370108 1068075927 /nfs/dbraw/zinc/07/59/27/1068075927.db2.gz QZHYEFGRMZGCKT-SBKAZYGRSA-N 0 0 457.260 4.343 20 0 JIADRN CCOc1cc(Br)c(CC(=O)Nc2cccc(-n3cnnc3C)c2)cc1OCC ZINC001358369481 1068075980 /nfs/dbraw/zinc/07/59/80/1068075980.db2.gz KPUPGRNSCMUEKY-UHFFFAOYSA-N 0 0 459.344 4.317 20 0 JIADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC001358370780 1068076611 /nfs/dbraw/zinc/07/66/11/1068076611.db2.gz PNPZIOXFHPNQLX-AWEZNQCLSA-N 0 0 454.361 4.194 20 0 JIADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2nc(Br)sc2C2CC2)C1 ZINC001358372290 1068076877 /nfs/dbraw/zinc/07/68/77/1068076877.db2.gz XVNNZPOTJUNJMR-GFCCVEGCSA-N 0 0 456.793 4.454 20 0 JIADRN CN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001358373009 1068076926 /nfs/dbraw/zinc/07/69/26/1068076926.db2.gz QLIUNWGIAJAOTJ-HXUWFJFHSA-N 0 0 458.419 4.020 20 0 JIADRN COc1ccc(Cl)cc1CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001353386881 1068077217 /nfs/dbraw/zinc/07/72/17/1068077217.db2.gz MJEGBCVZWDMNDS-UHFFFAOYSA-N 0 0 459.395 4.051 20 0 JIADRN Cc1ccc(C[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC001353387074 1068077409 /nfs/dbraw/zinc/07/74/09/1068077409.db2.gz FMKLASWPLNBOEW-LXGMGKJTSA-N 0 0 452.620 4.241 20 0 JIADRN CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC001358377450 1068077876 /nfs/dbraw/zinc/07/78/76/1068077876.db2.gz HCYQRZSGRPFYRO-UHFFFAOYSA-N 0 0 455.986 4.432 20 0 JIADRN CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@H]3Cc3ccc(C)cc3)n2)CCCCCC1 ZINC001353387994 1068078518 /nfs/dbraw/zinc/07/85/18/1068078518.db2.gz MTDAOCBFRDVWRX-QFIPXVFZSA-N 0 0 452.599 4.230 20 0 JIADRN CC[C@@H](NC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1nc2ccccc2[nH]1 ZINC001358381520 1068079112 /nfs/dbraw/zinc/07/91/12/1068079112.db2.gz DQJLXXXTCFDKCR-WIYYLYMNSA-N 0 0 452.555 4.275 20 0 JIADRN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)nc1I ZINC001358383057 1068079375 /nfs/dbraw/zinc/07/93/75/1068079375.db2.gz BQBSBGZCZDYODW-JKSUJKDBSA-N 0 0 450.320 4.226 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCC[C@H](n3cncn3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492565445 1068079503 /nfs/dbraw/zinc/07/95/03/1068079503.db2.gz DZHSUCWPZJRIDS-UNMCSNQZSA-N 0 0 494.644 4.236 20 0 JIADRN Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC001358383174 1068079699 /nfs/dbraw/zinc/07/96/99/1068079699.db2.gz DBQQLFHKMUGKKH-UHFFFAOYSA-N 0 0 456.590 4.125 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@]1(C)CCCO1 ZINC001492565464 1068079765 /nfs/dbraw/zinc/07/97/65/1068079765.db2.gz FKAPYMYNYGDDDH-IBVKSMDESA-N 0 0 453.631 4.201 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](C)CSc4ccccc43)C2)s1 ZINC001358392935 1068080793 /nfs/dbraw/zinc/08/07/93/1068080793.db2.gz OGEHEJYIFRMNDI-WBVHZDCISA-N 0 0 450.651 4.232 20 0 JIADRN O=C(OCc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001358391808 1068080955 /nfs/dbraw/zinc/08/09/55/1068080955.db2.gz QWBLXJXACNPOGP-OAQYLSRUSA-N 0 0 459.333 4.371 20 0 JIADRN NC(=O)c1ccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)nc1Cl ZINC001358394288 1068081407 /nfs/dbraw/zinc/08/14/07/1068081407.db2.gz HBAXDISEJFJIRE-UHFFFAOYSA-N 0 0 454.958 4.336 20 0 JIADRN O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCCc2c(Cl)ccc(F)c21 ZINC001358394546 1068081421 /nfs/dbraw/zinc/08/14/21/1068081421.db2.gz JLJKJPNQHDZYIO-UHFFFAOYSA-N 0 0 454.926 4.386 20 0 JIADRN COC[C@]1(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001358399675 1068082482 /nfs/dbraw/zinc/08/24/82/1068082482.db2.gz XSAZSUBMYYEIPC-FQEVSTJZSA-N 0 0 452.964 4.071 20 0 JIADRN C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1cc(Cl)ccc1F ZINC001358400551 1068082943 /nfs/dbraw/zinc/08/29/43/1068082943.db2.gz WIEYIYWLSWHVBQ-YGRLFVJLSA-N 0 0 451.372 4.225 20 0 JIADRN COc1ccc(Br)cc1NC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001358402818 1068083447 /nfs/dbraw/zinc/08/34/47/1068083447.db2.gz CDHZWUMKFJVRFH-JTSKRJEESA-N 0 0 459.340 4.445 20 0 JIADRN COCCOC1CCC(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)CC1 ZINC001358406297 1068083745 /nfs/dbraw/zinc/08/37/45/1068083745.db2.gz XIKJRYQPMIFVEN-UHFFFAOYSA-N 0 0 450.579 4.369 20 0 JIADRN COc1ccc(Br)cc1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001358403509 1068083989 /nfs/dbraw/zinc/08/39/89/1068083989.db2.gz PJXVNLHFFFARHH-CJNGLKHVSA-N 0 0 456.134 4.332 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H]3CSC)n2C[C@](C)(O)c2cccs2)cc1 ZINC001300285436 1068083948 /nfs/dbraw/zinc/08/39/48/1068083948.db2.gz OXTXYEOPRBICJH-HXOBKFHXSA-N 0 0 474.652 4.167 20 0 JIADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccncc1Oc1ccccc1 ZINC001358413313 1068085617 /nfs/dbraw/zinc/08/56/17/1068085617.db2.gz WXMNQVBGUOHPGM-UHFFFAOYSA-N 0 0 452.410 4.428 20 0 JIADRN O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001358416203 1068086384 /nfs/dbraw/zinc/08/63/84/1068086384.db2.gz 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GOYCVNUQCUCVKL-WOJBJXKFSA-N 0 0 475.902 4.278 20 0 JIADRN Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]32)nn1 ZINC001164776723 721314826 /nfs/dbraw/zinc/31/48/26/721314826.db2.gz PCXUTUBTMDXAMV-DLBZAZTESA-N 0 0 463.941 4.201 20 0 JIADRN CCN1CC[C@]2(CN(c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@H]2C)C1=O ZINC001164778368 721320540 /nfs/dbraw/zinc/32/05/40/721320540.db2.gz PQIQGOKTRYELGC-WXTAPIANSA-N 0 0 467.683 4.107 20 0 JIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4cccc(OC)c4)nnc3Cl)C[C@H]2C)C1=O ZINC001164778317 721322990 /nfs/dbraw/zinc/32/29/90/721322990.db2.gz PATHKAARYVBUEQ-SPLOXXLWSA-N 0 0 450.917 4.045 20 0 JIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC5(CC(N(C)C)=NO5)CC4)c23)C1 ZINC001164873397 721326892 /nfs/dbraw/zinc/32/68/92/721326892.db2.gz BRPZIPOSCKNLEY-GOSISDBHSA-N 0 0 482.698 4.436 20 0 JIADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2)N1CC=CC1 ZINC001164776035 721329003 /nfs/dbraw/zinc/32/90/03/721329003.db2.gz BYHSVTJCAMRSOY-UHFFFAOYSA-N 0 0 464.948 4.068 20 0 JIADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2)N1CC=CC1 ZINC001164776596 721329053 /nfs/dbraw/zinc/32/90/53/721329053.db2.gz GSISWJVGZYCKSU-UHFFFAOYSA-N 0 0 454.949 4.163 20 0 JIADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)cs1 ZINC001164874811 721330485 /nfs/dbraw/zinc/33/04/85/721330485.db2.gz JKKKSCHTHXBMCZ-GFCCVEGCSA-N 0 0 475.352 4.143 20 0 JIADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@]4(C(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164886883 721346985 /nfs/dbraw/zinc/34/69/85/721346985.db2.gz SZSVAKRSXYTXEB-URXFXBBRSA-N 0 0 491.966 4.467 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164777174 721347685 /nfs/dbraw/zinc/34/76/85/721347685.db2.gz DWLORTYPUWJELW-XMMPIXPASA-N 0 0 455.990 4.315 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164776739 721348545 /nfs/dbraw/zinc/34/85/45/721348545.db2.gz CJDRKPPUGUHKOF-VWLOTQADSA-N 0 0 451.546 4.007 20 0 JIADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001164884213 721350546 /nfs/dbraw/zinc/35/05/46/721350546.db2.gz NJEVGCKHELHHIP-VQTJNVASSA-N 0 0 484.934 4.319 20 0 JIADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]2C1 ZINC001164887513 721351923 /nfs/dbraw/zinc/35/19/23/721351923.db2.gz VAIRAUZDRUTEGI-UGKGYDQZSA-N 0 0 484.934 4.319 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164779418 721352482 /nfs/dbraw/zinc/35/24/82/721352482.db2.gz SZFPSEYFKVVNMH-NRFANRHFSA-N 0 0 454.949 4.312 20 0 JIADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]2C1 ZINC001164886439 721352604 /nfs/dbraw/zinc/35/26/04/721352604.db2.gz SPCPXEBBLXKZKV-GOEBONIOSA-N 0 0 475.845 4.276 20 0 JIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164885772 721361303 /nfs/dbraw/zinc/36/13/03/721361303.db2.gz ZEJBXNSOWRXZAH-UHFFFAOYSA-N 0 0 499.953 4.091 20 0 JIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164785217 721363004 /nfs/dbraw/zinc/36/30/04/721363004.db2.gz SPAKZIFCGLZTKL-FQEVSTJZSA-N 0 0 490.382 4.138 20 0 JIADRN O=C1CO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@@H]2N1c1cccc(F)c1 ZINC001164882790 721363861 /nfs/dbraw/zinc/36/38/61/721363861.db2.gz KVJMAYBYKGWRIB-IRXDYDNUSA-N 0 0 483.277 4.241 20 0 JIADRN O=C1CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@H]2N1c1cccc(F)c1 ZINC001164883955 721365251 /nfs/dbraw/zinc/36/52/51/721365251.db2.gz SEIPJZOWMLICRV-HZPDHXFCSA-N 0 0 483.277 4.241 20 0 JIADRN COCCN1CCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)Cc2cccnc21 ZINC001164887933 721368808 /nfs/dbraw/zinc/36/88/08/721368808.db2.gz SIWDSIHWORJJIW-UHFFFAOYSA-N 0 0 454.308 4.350 20 0 JIADRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C3)CC2=O)cn1 ZINC001164885327 721373514 /nfs/dbraw/zinc/37/35/14/721373514.db2.gz GNBNWVZRVVEGNC-JOCHJYFZSA-N 0 0 475.902 4.453 20 0 JIADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)n1 ZINC001164885018 721377174 /nfs/dbraw/zinc/37/71/74/721377174.db2.gz BOIOYYHNILWBKA-VWLOTQADSA-N 0 0 499.706 4.204 20 0 JIADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164784589 721379692 /nfs/dbraw/zinc/37/96/92/721379692.db2.gz QNLAIZYLZLZFDW-UIFIKXQLSA-N 0 0 472.923 4.242 20 0 JIADRN O=C(N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164781238 721380735 /nfs/dbraw/zinc/38/07/35/721380735.db2.gz IQNSVOKVNKKVJC-NNMXDRDESA-N 0 0 499.949 4.151 20 0 JIADRN O=C(N[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164786109 721380770 /nfs/dbraw/zinc/38/07/70/721380770.db2.gz SNWKDIQBURCGQG-YFVAEKQCSA-N 0 0 472.923 4.242 20 0 JIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001164787838 721384776 /nfs/dbraw/zinc/38/47/76/721384776.db2.gz XSMILTBGPQLWIM-PGRDOPGGSA-N 0 0 481.927 4.054 20 0 JIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779615 721384864 /nfs/dbraw/zinc/38/48/64/721384864.db2.gz BGXBWPHBTJVLDP-HTAPYJJXSA-N 0 0 475.927 4.210 20 0 JIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164784562 721386223 /nfs/dbraw/zinc/38/62/23/721386223.db2.gz QEJLSNVJSGJSFZ-IERDGZPVSA-N 0 0 463.916 4.144 20 0 JIADRN COc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164781404 721439071 /nfs/dbraw/zinc/43/90/71/721439071.db2.gz FTDMXIZTGHHTPR-IYBDPMFKSA-N 0 0 477.968 4.375 20 0 JIADRN COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(Cl)nn1 ZINC001164780839 721439208 /nfs/dbraw/zinc/43/92/08/721439208.db2.gz CIBJLJNVLQTCPI-GJZGRUSLSA-N 0 0 477.968 4.375 20 0 JIADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164785177 721440117 /nfs/dbraw/zinc/44/01/17/721440117.db2.gz RTTOUBJRXZSRDK-QGZVFWFLSA-N 0 0 454.308 4.382 20 0 JIADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164783913 721441517 /nfs/dbraw/zinc/44/15/17/721441517.db2.gz OKNJMMYZRDTEBY-IBGZPJMESA-N 0 0 488.901 4.416 20 0 JIADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164781998 721442181 /nfs/dbraw/zinc/44/21/81/721442181.db2.gz HZJNHBDYQMQCJH-LJQANCHMSA-N 0 0 459.928 4.304 20 0 JIADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)O1 ZINC001164884414 721459442 /nfs/dbraw/zinc/45/94/42/721459442.db2.gz BBIKRVWUOQCABD-UFYCRDLUSA-N 0 0 465.903 4.348 20 0 JIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164893363 721475709 /nfs/dbraw/zinc/47/57/09/721475709.db2.gz HZTWRUDIAPFXGA-HSZRJFAPSA-N 0 0 484.938 4.294 20 0 JIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164892503 721475817 /nfs/dbraw/zinc/47/58/17/721475817.db2.gz GFJSYKPMDVJKOL-QHCPKHFHSA-N 0 0 484.938 4.294 20 0 JIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)n1 ZINC001164793954 721487553 /nfs/dbraw/zinc/48/75/53/721487553.db2.gz YRMYEWHFSDVJOA-IQGLISFBSA-N 0 0 485.629 4.216 20 0 JIADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164791133 721487560 /nfs/dbraw/zinc/48/75/60/721487560.db2.gz BALQAEKZOXGIHY-XCLFUZPHSA-N 0 0 466.847 4.001 20 0 JIADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)c(Cl)nn2)cc1 ZINC001164897861 721487987 /nfs/dbraw/zinc/48/79/87/721487987.db2.gz UVIIYIZMRYPEBG-KRWDZBQOSA-N 0 0 469.927 4.380 20 0 JIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164900602 721493500 /nfs/dbraw/zinc/49/35/00/721493500.db2.gz QPVPDPHEGLZANV-DUVNUKRYSA-N 0 0 486.379 4.155 20 0 JIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164898724 721493913 /nfs/dbraw/zinc/49/39/13/721493913.db2.gz IADMIHBLSPJFCB-WOSRLPQWSA-N 0 0 486.379 4.155 20 0 JIADRN 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COc1ccccc1C1(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)CCC1 ZINC001325469120 1066252010 /nfs/dbraw/zinc/25/20/10/1066252010.db2.gz VNDCSYXZRVJDFQ-UHFFFAOYSA-N 0 0 466.607 4.005 20 0 JIADRN CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)on2)C1 ZINC001316427540 1066252213 /nfs/dbraw/zinc/25/22/13/1066252213.db2.gz UKLZYDAVVZNUTO-QUCCMNQESA-N 0 0 490.674 4.459 20 0 JIADRN Cc1cc(C(=O)NC2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(Br)cc3)CC2)no1 ZINC001325579407 1066255667 /nfs/dbraw/zinc/25/56/67/1066255667.db2.gz IJLPCFFWDCGNMZ-JOCHJYFZSA-N 0 0 497.393 4.439 20 0 JIADRN C[C@@H](NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001325579404 1066255743 /nfs/dbraw/zinc/25/57/43/1066255743.db2.gz IIFCILPYQMWZGJ-UYAOXDASSA-N 0 0 478.597 4.255 20 0 JIADRN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001325585303 1066257188 /nfs/dbraw/zinc/25/71/88/1066257188.db2.gz QKCTYXZFOKXMQK-NSYGIPOTSA-N 0 0 462.575 4.276 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)ccc2OC(F)F)C1 ZINC001316428982 1066259139 /nfs/dbraw/zinc/25/91/39/1066259139.db2.gz BXBASUKUPNXAHP-SFHVURJKSA-N 0 0 479.597 4.081 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CC2)C1 ZINC001316429175 1066259746 /nfs/dbraw/zinc/25/97/46/1066259746.db2.gz CABKOVRBSXEAPK-OAHLLOKOSA-N 0 0 457.427 4.411 20 0 JIADRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001325641536 1066260101 /nfs/dbraw/zinc/26/01/01/1066260101.db2.gz QHZIELANYAZQPO-AWEZNQCLSA-N 0 0 493.764 4.445 20 0 JIADRN O=S(=O)(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 ZINC001475217214 1066260169 /nfs/dbraw/zinc/26/01/69/1066260169.db2.gz UKFQUQWZCHGDCN-GFCCVEGCSA-N 0 0 454.392 4.161 20 0 JIADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1Cl ZINC001325685507 1066262234 /nfs/dbraw/zinc/26/22/34/1066262234.db2.gz QXHDUZCTYBGHIQ-JOCHJYFZSA-N 0 0 482.009 4.296 20 0 JIADRN CSCc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 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PEFPDBAJSNKOLR-OAQYLSRUSA-N 0 0 461.509 4.273 20 0 JIADRN COc1ccc2cc(C(=O)Nc3nc(CN4CCN(c5ccccn5)CC4)cs3)ccc2c1 ZINC001325888977 1066273915 /nfs/dbraw/zinc/27/39/15/1066273915.db2.gz HTWCRSPEAGNETB-UHFFFAOYSA-N 0 0 459.575 4.274 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CC2(S(C)(=O)=O)CCCC2)n1 ZINC001492499724 1066274588 /nfs/dbraw/zinc/27/45/88/1066274588.db2.gz VJKIIMDJDGSUOK-UHFFFAOYSA-N 0 0 480.059 4.357 20 0 JIADRN O=C(NCCN1C(=O)COc2ccccc21)c1cccnc1SCc1cccc(Br)c1 ZINC001325967880 1066276440 /nfs/dbraw/zinc/27/64/40/1066276440.db2.gz UJSQHLVZZLTUQJ-UHFFFAOYSA-N 0 0 498.402 4.292 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](CSc2nnc(Cc3cccc4ccccc43)n2N)C1 ZINC001326021301 1066279885 /nfs/dbraw/zinc/27/98/85/1066279885.db2.gz COUXRLNRUGWLJN-KRWDZBQOSA-N 0 0 453.612 4.475 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1OC(C)C ZINC001316433841 1066279683 /nfs/dbraw/zinc/27/96/83/1066279683.db2.gz KSSPWBDJAYDBCK-SQJMNOBHSA-N 0 0 474.671 4.486 20 0 JIADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)c1 ZINC001326022310 1066280587 /nfs/dbraw/zinc/28/05/87/1066280587.db2.gz PAXLQTKWAZKBTC-UHFFFAOYSA-N 0 0 475.622 4.433 20 0 JIADRN CSCc1ccc(Cn2c(N3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)nnc2C(C)(C)C)cc1 ZINC001316434491 1066282376 /nfs/dbraw/zinc/28/23/76/1066282376.db2.gz ZPVPTLVNXQPHIY-NRFANRHFSA-N 0 0 470.687 4.069 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(C)(C)C ZINC001475235648 1066282134 /nfs/dbraw/zinc/28/21/34/1066282134.db2.gz MBNLACWXZGCYLH-CQSZACIVSA-N 0 0 456.939 4.159 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(-c2cccc(Br)c2)n1CCSCCCO ZINC001316434869 1066282979 /nfs/dbraw/zinc/28/29/79/1066282979.db2.gz QDWYCRLRGBTIHM-KRWDZBQOSA-N 0 0 471.490 4.155 20 0 JIADRN C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC001326048362 1066283451 /nfs/dbraw/zinc/28/34/51/1066283451.db2.gz TXZDCHARCZAUQA-LBPRGKRZSA-N 0 0 455.349 4.117 20 0 JIADRN COc1cccc(Cn2c3ccccc3nc2NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC001326047542 1066283781 /nfs/dbraw/zinc/28/37/81/1066283781.db2.gz QZCQSGXQQCTVNA-NRFANRHFSA-N 0 0 483.572 4.047 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)OC(C)(C)C ZINC001316434907 1066283666 /nfs/dbraw/zinc/28/36/66/1066283666.db2.gz QOMKNBHCJYERQH-IRXDYDNUSA-N 0 0 479.622 4.414 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1ccnc1C ZINC001316435001 1066284071 /nfs/dbraw/zinc/28/40/71/1066284071.db2.gz QZBFLODGTNIACL-SFHVURJKSA-N 0 0 462.570 4.474 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCOCC1 ZINC001316435119 1066284903 /nfs/dbraw/zinc/28/49/03/1066284903.db2.gz SXZOBZOAWOUNOU-OIBXWCBGSA-N 0 0 487.714 4.335 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1cccnc1)C(C)C ZINC001316435752 1066286725 /nfs/dbraw/zinc/28/67/25/1066286725.db2.gz YYQYUUHILXFGHZ-WRALFONMSA-N 0 0 473.687 4.485 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(-c2ccccc2Br)n1CCSCCCO ZINC001316435701 1066287488 /nfs/dbraw/zinc/28/74/88/1066287488.db2.gz DKULRVWGAGYEMS-HNNXBMFYSA-N 0 0 471.490 4.155 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001316435838 1066287650 /nfs/dbraw/zinc/28/76/50/1066287650.db2.gz FXUGVMCXNBTFSC-QZTJIDSGSA-N 0 0 489.995 4.193 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3nc4ccccc4s3)n2CCCCCS(C)(=O)=O)n1 ZINC001492500598 1066288453 /nfs/dbraw/zinc/28/84/53/1066288453.db2.gz KEPAVAJDZDPPCH-UHFFFAOYSA-N 0 0 484.651 4.110 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)n2C[C@@H]2CCC=CO2)n1 ZINC001492500849 1066289840 /nfs/dbraw/zinc/28/98/40/1066289840.db2.gz VLTJABIMQHGJNV-MOPGFXCFSA-N 0 0 467.574 4.094 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(-c2ccccc2Br)n1CCc1nccnc1C ZINC001316437819 1066290741 /nfs/dbraw/zinc/29/07/41/1066290741.db2.gz QSAMLVURCLQNQH-INIZCTEOSA-N 0 0 473.444 4.381 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2CCC2CC(OC(C)(C)C)C2)n1 ZINC001492500718 1066290854 /nfs/dbraw/zinc/29/08/54/1066290854.db2.gz PAQLJNJWGOTTRM-UHFFFAOYSA-N 0 0 488.587 4.125 20 0 JIADRN CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)ccc1F ZINC001475243593 1066291458 /nfs/dbraw/zinc/29/14/58/1066291458.db2.gz FQIIPDQQAIHPLZ-SFHVURJKSA-N 0 0 459.312 4.212 20 0 JIADRN Cc1cccc(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Br)CC2)c1 ZINC001326328105 1066292270 /nfs/dbraw/zinc/29/22/70/1066292270.db2.gz MALQFPURFDPKES-UHFFFAOYSA-N 0 0 466.763 4.166 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001316439068 1066293901 /nfs/dbraw/zinc/29/39/01/1066293901.db2.gz LWZOTWPUUXSDIG-FQEVSTJZSA-N 0 0 452.628 4.216 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc([C@H]2CCCCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001316439163 1066294612 /nfs/dbraw/zinc/29/46/12/1066294612.db2.gz JTPLNEQPNSAINW-RBUKOAKNSA-N 0 0 465.664 4.251 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001316439617 1066296088 /nfs/dbraw/zinc/29/60/88/1066296088.db2.gz OPIOYZXLAJYHRH-NFBKMPQASA-N 0 0 458.031 4.157 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(Cc2cccnc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001316439826 1066296289 /nfs/dbraw/zinc/29/62/89/1066296289.db2.gz QLZQNJRBPUCXEX-OAQYLSRUSA-N 0 0 484.670 4.163 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(CCCc2ccccc2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001316440950 1066300231 /nfs/dbraw/zinc/30/02/31/1066300231.db2.gz DMYJOGLUOOXTFB-OAQYLSRUSA-N 0 0 476.712 4.143 20 0 JIADRN COCCSc1ccc([C@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001326566123 1066300604 /nfs/dbraw/zinc/30/06/04/1066300604.db2.gz BTAULRJYXZMKPM-AWEZNQCLSA-N 0 0 461.385 4.259 20 0 JIADRN CSC[C@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001316441276 1066301104 /nfs/dbraw/zinc/30/11/04/1066301104.db2.gz XQQIVCNFEHBGDB-TZIWHRDSSA-N 0 0 472.659 4.082 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCc1nc(C)no1 ZINC001316441611 1066301734 /nfs/dbraw/zinc/30/17/34/1066301734.db2.gz JFAMKVLPMLZUIE-IBGZPJMESA-N 0 0 456.616 4.130 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001316441899 1066302817 /nfs/dbraw/zinc/30/28/17/1066302817.db2.gz LZNXLCHNNWEGEX-IBGZPJMESA-N 0 0 494.587 4.461 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)N(C)CCC(F)(F)F)c1 ZINC001326731375 1066303140 /nfs/dbraw/zinc/30/31/40/1066303140.db2.gz GNEAVIBDJAYDFY-UHFFFAOYSA-N 0 0 464.554 4.124 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 ZINC001316442198 1066304236 /nfs/dbraw/zinc/30/42/36/1066304236.db2.gz JTQASHMXKYHXRV-PKOBYXMFSA-N 0 0 482.119 4.276 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(CCc2ccccc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001316442459 1066304557 /nfs/dbraw/zinc/30/45/57/1066304557.db2.gz RKEHRZALSJJDGH-NRFANRHFSA-N 0 0 471.671 4.262 20 0 JIADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1=NS(=O)(=O)c2ccccc21 ZINC001326763360 1066305057 /nfs/dbraw/zinc/30/50/57/1066305057.db2.gz RCKXQWQKNMXWMU-UHFFFAOYSA-N 0 0 476.945 4.001 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCOc1ncccc1F ZINC001316442498 1066305489 /nfs/dbraw/zinc/30/54/89/1066305489.db2.gz SAXPZBLUKBIMMS-LJQANCHMSA-N 0 0 471.602 4.419 20 0 JIADRN CSC[C@H]1CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1ccccc1F ZINC001316442586 1066305578 /nfs/dbraw/zinc/30/55/78/1066305578.db2.gz NADIKVJEILHTOC-YFVAEKQCSA-N 0 0 489.661 4.098 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001316442862 1066305859 /nfs/dbraw/zinc/30/58/59/1066305859.db2.gz OTHVGMYJZWHRBR-IAGOWNOFSA-N 0 0 456.591 4.446 20 0 JIADRN CSC[C@H]1CCCN1c1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1Cl ZINC001316442807 1066306033 /nfs/dbraw/zinc/30/60/33/1066306033.db2.gz VKZYLCCMJUHGEN-QGZVFWFLSA-N 0 0 476.071 4.498 20 0 JIADRN O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001326916063 1066306455 /nfs/dbraw/zinc/30/64/55/1066306455.db2.gz QIVOJWRQHFDORC-KKSFZXQISA-N 0 0 475.358 4.226 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1[C@@H]1C[C@H]1C(C)C ZINC001316443529 1066308124 /nfs/dbraw/zinc/30/81/24/1066308124.db2.gz GKJZUUIVMMGLTJ-RYQLBKOJSA-N 0 0 464.705 4.341 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C(N)=O)CCOCC1 ZINC001316443610 1066308323 /nfs/dbraw/zinc/30/83/23/1066308323.db2.gz GYWXOTNTSCJZKS-KRWDZBQOSA-N 0 0 491.727 4.135 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCn2ccnc2C1 ZINC001316443770 1066308755 /nfs/dbraw/zinc/30/87/55/1066308755.db2.gz TVYWQTYIUDTFSS-WOJBJXKFSA-N 0 0 481.670 4.184 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCn2ccnc2C1 ZINC001316443768 1066309043 /nfs/dbraw/zinc/30/90/43/1066309043.db2.gz TVYWQTYIUDTFSS-UXHICEINSA-N 0 0 481.670 4.184 20 0 JIADRN Cc1nc2ccccn2c1-c1nnc(-c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)o1 ZINC001327036935 1066309211 /nfs/dbraw/zinc/30/92/11/1066309211.db2.gz CHPWILMRUVMDNE-MRXNPFEDSA-N 0 0 471.542 4.500 20 0 JIADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1 ZINC001327040184 1066309358 /nfs/dbraw/zinc/30/93/58/1066309358.db2.gz SUYIFGRYTIYPJO-UHFFFAOYSA-N 0 0 465.535 4.407 20 0 JIADRN COc1ccc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)cc1S(=O)(=O)N1CCCC1 ZINC001327038495 1066309472 /nfs/dbraw/zinc/30/94/72/1066309472.db2.gz KONYAZCJSGJSNQ-UHFFFAOYSA-N 0 0 457.596 4.289 20 0 JIADRN Cn1cc(Br)cc1-c1nnc(-c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)o1 ZINC001327041282 1066309512 /nfs/dbraw/zinc/30/95/12/1066309512.db2.gz XIXLIIFEGIQOQA-UHFFFAOYSA-N 0 0 477.318 4.343 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC12CCOCC2 ZINC001316444609 1066312290 /nfs/dbraw/zinc/31/22/90/1066312290.db2.gz ZSLHPKDOKCQYQR-IEBWSBKVSA-N 0 0 492.089 4.256 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(-n2cncn2)c1 ZINC001316444735 1066312688 /nfs/dbraw/zinc/31/26/88/1066312688.db2.gz BRAGOSXRMLHCTL-INIZCTEOSA-N 0 0 469.018 4.200 20 0 JIADRN Cc1cccc(-c2nnc(N(C)CCOc3ccccc3Cl)n2C[C@H]2CCOC[C@H]2C)n1 ZINC001492503283 1066314693 /nfs/dbraw/zinc/31/46/93/1066314693.db2.gz BROQJSKNOJQNRA-IEBWSBKVSA-N 0 0 455.990 4.490 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1nnc(C)s1 ZINC001316446020 1066316715 /nfs/dbraw/zinc/31/67/15/1066316715.db2.gz SCSQXQIRFHNKOB-HNNXBMFYSA-N 0 0 468.656 4.316 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1nnc(C)s1 ZINC001316446021 1066316812 /nfs/dbraw/zinc/31/68/12/1066316812.db2.gz SCSQXQIRFHNKOB-OAHLLOKOSA-N 0 0 468.656 4.316 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)coc1C ZINC001316446000 1066316850 /nfs/dbraw/zinc/31/68/50/1066316850.db2.gz RGODYXYLNUKEPY-MRXNPFEDSA-N 0 0 476.672 4.074 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001316446957 1066319837 /nfs/dbraw/zinc/31/98/37/1066319837.db2.gz MQVZSHWKJNYHAN-FDDCHVKYSA-N 0 0 496.146 4.384 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@]1(C)CN(C2CC2)C1=O ZINC001316446954 1066320105 /nfs/dbraw/zinc/32/01/05/1066320105.db2.gz MOFKLQQJPBZMGX-QRQCRPRQSA-N 0 0 492.487 4.296 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001316447106 1066320566 /nfs/dbraw/zinc/32/05/66/1066320566.db2.gz YJIAGMJWICTXGD-IERDGZPVSA-N 0 0 487.592 4.359 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnc(C)s1 ZINC001316447056 1066320868 /nfs/dbraw/zinc/32/08/68/1066320868.db2.gz XSRQRESWDNJOKH-LBPRGKRZSA-N 0 0 469.478 4.437 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H](O)C1 ZINC001316447373 1066321119 /nfs/dbraw/zinc/32/11/19/1066321119.db2.gz ZRCABMCDYFCDNS-UXLLHSPISA-N 0 0 470.481 4.175 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001316447590 1066321873 /nfs/dbraw/zinc/32/18/73/1066321873.db2.gz LEKIFGJBXBTCRD-WBVHZDCISA-N 0 0 473.565 4.134 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1c(C)nn(-c2ccccc2)c1C ZINC001316447682 1066321923 /nfs/dbraw/zinc/32/19/23/1066321923.db2.gz LZIXIXQEQWMELR-YLJYHZDGSA-N 0 0 454.644 4.211 20 0 JIADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001475317919 1066322625 /nfs/dbraw/zinc/32/26/25/1066322625.db2.gz LKRNQBWTUSZOTB-INIZCTEOSA-N 0 0 451.926 4.392 20 0 JIADRN Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2ccnc(OC(F)F)c2)n1 ZINC001492505107 1066323046 /nfs/dbraw/zinc/32/30/46/1066323046.db2.gz SJPISHHFJZHSMJ-UHFFFAOYSA-N 0 0 458.513 4.087 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCOCc2ccccc2)n1 ZINC001492505373 1066323654 /nfs/dbraw/zinc/32/36/54/1066323654.db2.gz ADVNGZQCESXKEI-YLJYHZDGSA-N 0 0 461.488 4.021 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@](C)(O)c2ccccc2Cl)n1 ZINC001492505475 1066324199 /nfs/dbraw/zinc/32/41/99/1066324199.db2.gz BIHJOVKDHZFENQ-MZNJEOGPSA-N 0 0 455.990 4.213 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 ZINC001492505646 1066324644 /nfs/dbraw/zinc/32/46/44/1066324644.db2.gz CVXJNYCCLACSIT-GFJKYASSSA-N 0 0 451.640 4.448 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)n2CCCCOC(C)C)n1 ZINC001492505658 1066324749 /nfs/dbraw/zinc/32/47/49/1066324749.db2.gz CZZJBDBSWNYTAT-NRFANRHFSA-N 0 0 482.673 4.329 20 0 JIADRN O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001328604983 1066326398 /nfs/dbraw/zinc/32/63/98/1066326398.db2.gz AYKWWMFVQSITIK-ACBHZAAOSA-N 0 0 455.517 4.270 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)C(C)(C)C ZINC001316449839 1066326918 /nfs/dbraw/zinc/32/69/18/1066326918.db2.gz KRGMUQUCHOEKDK-KRWDZBQOSA-N 0 0 477.700 4.141 20 0 JIADRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@H](C(=O)NC4CC4)C3)nc2c1C ZINC001328613888 1066327149 /nfs/dbraw/zinc/32/71/49/1066327149.db2.gz WMYDRZONSQPIEQ-NRFANRHFSA-N 0 0 476.646 4.437 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 ZINC001316450313 1066328760 /nfs/dbraw/zinc/32/87/60/1066328760.db2.gz NWWHNDMQAIKOFU-GOSISDBHSA-N 0 0 489.711 4.285 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001316450487 1066328946 /nfs/dbraw/zinc/32/89/46/1066328946.db2.gz ZKTIMBAMPRMQNP-AZUAARDMSA-N 0 0 492.711 4.128 20 0 JIADRN 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4.197 20 0 JIADRN NC(=O)CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001316546748 1066564725 /nfs/dbraw/zinc/56/47/25/1066564725.db2.gz NJJDLQBGRHDFOH-UHFFFAOYSA-N 0 0 465.520 4.017 20 0 JIADRN NC(=O)CCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@H]2CCCCO2)CC1 ZINC001316547582 1066565209 /nfs/dbraw/zinc/56/52/09/1066565209.db2.gz LNZXLCVDJXUHKD-OAQYLSRUSA-N 0 0 460.022 4.430 20 0 JIADRN NC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001316547489 1066565310 /nfs/dbraw/zinc/56/53/10/1066565310.db2.gz JUMWTVPQOYMWSY-UHFFFAOYSA-N 0 0 493.555 4.012 20 0 JIADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 ZINC001338591426 1066565478 /nfs/dbraw/zinc/56/54/78/1066565478.db2.gz MNBGZUPPNQYYBZ-BXKMTCNYSA-N 0 0 490.629 4.384 20 0 JIADRN CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC001338605833 1066565550 /nfs/dbraw/zinc/56/55/50/1066565550.db2.gz MZLOMJUPRMTWDB-SFHVURJKSA-N 0 0 471.804 4.282 20 0 JIADRN NC(=O)CCC1CCN(c2nnc(CC3CCCC3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001316548539 1066566094 /nfs/dbraw/zinc/56/60/94/1066566094.db2.gz CZSSZCQJHDENPV-UHFFFAOYSA-N 0 0 494.471 4.307 20 0 JIADRN NC(=O)CCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSC(F)(F)F)CC1 ZINC001316549164 1066566226 /nfs/dbraw/zinc/56/62/26/1066566226.db2.gz VDYKDZXTHCAZHQ-UHFFFAOYSA-N 0 0 493.502 4.281 20 0 JIADRN NC(=O)CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2Cl)CC1 ZINC001316549070 1066566234 /nfs/dbraw/zinc/56/62/34/1066566234.db2.gz SDPXCQXXMJCAOD-UHFFFAOYSA-N 0 0 459.381 4.177 20 0 JIADRN NC(=O)CCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CC2)CC1 ZINC001316549368 1066566252 /nfs/dbraw/zinc/56/62/52/1066566252.db2.gz VFZPMYLUGAQRCZ-UHFFFAOYSA-N 0 0 464.383 4.129 20 0 JIADRN NC(=O)Nc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)cc1 ZINC001316551752 1066567575 /nfs/dbraw/zinc/56/75/75/1066567575.db2.gz HIIUVKSJFDEZKF-UHFFFAOYSA-N 0 0 459.373 4.074 20 0 JIADRN NC(=O)CCC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001316551615 1066567681 /nfs/dbraw/zinc/56/76/81/1066567681.db2.gz ACEQODUMSJCREB-UHFFFAOYSA-N 0 0 478.062 4.011 20 0 JIADRN O=C(c1cccs1)C1CCN(c2nnc(Cc3ccccn3)n2CCCOC(F)(F)F)CC1 ZINC001316553632 1066568517 /nfs/dbraw/zinc/56/85/17/1066568517.db2.gz FVAPDGGTKKUNOH-UHFFFAOYSA-N 0 0 479.528 4.351 20 0 JIADRN O=C(c1ccc(F)cc1)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCOC(F)F)C1 ZINC001316553570 1066568610 /nfs/dbraw/zinc/56/86/10/1066568610.db2.gz ICMHYBZYYNZBDD-PKOBYXMFSA-N 0 0 466.504 4.387 20 0 JIADRN O=C(C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)F)c(F)c2)CC1)C(F)(F)F ZINC001316554032 1066569091 /nfs/dbraw/zinc/56/90/91/1066569091.db2.gz IRBHQAFBVFYMOS-UHFFFAOYSA-N 0 0 487.404 4.410 20 0 JIADRN O=C(c1ccsc1)N1CCN(c2nnc(Cc3ccsc3)n2CCSC(F)(F)F)CC1 ZINC001316553969 1066569137 /nfs/dbraw/zinc/56/91/37/1066569137.db2.gz LCISRGSLAXNZMG-UHFFFAOYSA-N 0 0 487.598 4.207 20 0 JIADRN O=C(C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCO2)CC1)C(F)(F)F ZINC001316554691 1066569902 /nfs/dbraw/zinc/56/99/02/1066569902.db2.gz RRMJHEJBOMYWME-MRXNPFEDSA-N 0 0 487.320 4.234 20 0 JIADRN O=C(c1ccccc1F)N1CCCN(c2nnc(CC3CCCC3)n2CC(F)(F)F)CC1 ZINC001316554539 1066569935 /nfs/dbraw/zinc/56/99/35/1066569935.db2.gz PFUCOEAAFQYXFS-UHFFFAOYSA-N 0 0 453.484 4.065 20 0 JIADRN O=C(c1ccccc1)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CC1 ZINC001316554562 1066569955 /nfs/dbraw/zinc/56/99/55/1066569955.db2.gz PPTMAIKICCRYPM-UHFFFAOYSA-N 0 0 486.041 4.208 20 0 JIADRN O=C(C1CCN(c2nnc(-c3ccccn3)n2CC(F)(F)c2ccccc2)CC1)C(F)(F)F ZINC001316554663 1066569988 /nfs/dbraw/zinc/56/99/88/1066569988.db2.gz QNPMVPTXRDIWEB-UHFFFAOYSA-N 0 0 465.426 4.480 20 0 JIADRN O=C(C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(F)(F)F)CC1)C(F)(F)F ZINC001316554632 1066570033 /nfs/dbraw/zinc/57/00/33/1066570033.db2.gz PIQRJPCOWDNJTR-UHFFFAOYSA-N 0 0 472.393 4.041 20 0 JIADRN O=C(c1nnc(N(CCC(F)(F)F)CC2CC2)n1CCc1ccccc1F)N1CCCC1 ZINC001316554556 1066570095 /nfs/dbraw/zinc/57/00/95/1066570095.db2.gz PJYURFJPRANJOJ-UHFFFAOYSA-N 0 0 453.484 4.065 20 0 JIADRN O=C(C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCO2)CC1)C(F)(F)F ZINC001316555116 1066570919 /nfs/dbraw/zinc/57/09/19/1066570919.db2.gz VYWHHSIOQCRBMA-MRXNPFEDSA-N 0 0 487.320 4.234 20 0 JIADRN O=C(C1CCCCC1)N1CCN(c2nnc(C3CCCC3)n2CCSCC(F)(F)F)CC1 ZINC001316555283 1066571170 /nfs/dbraw/zinc/57/11/70/1066571170.db2.gz YAEFMQAEOQOXOK-UHFFFAOYSA-N 0 0 473.609 4.460 20 0 JIADRN O=C(c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc(F)cc1C(F)(F)F)N1CCCC1 ZINC001316555664 1066571415 /nfs/dbraw/zinc/57/14/15/1066571415.db2.gz XPXRFLXAJHYKHS-AWEZNQCLSA-N 0 0 475.437 4.202 20 0 JIADRN O=C(C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001316555902 1066572144 /nfs/dbraw/zinc/57/21/44/1066572144.db2.gz CFVRRDARQAEMBS-HNNXBMFYSA-N 0 0 492.420 4.077 20 0 JIADRN Cc1sc(=O)n(CC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c1C ZINC001338861262 1066572179 /nfs/dbraw/zinc/57/21/79/1066572179.db2.gz LPECZZUOBNLTIL-UHFFFAOYSA-N 0 0 464.360 4.052 20 0 JIADRN O=C(C1CCN(c2nnc(CCc3ccccc3)n2Cc2nccn2C(F)F)CC1)C(F)(F)F ZINC001316556984 1066573811 /nfs/dbraw/zinc/57/38/11/1066573811.db2.gz JIDUYWZNFVLFTO-UHFFFAOYSA-N 0 0 482.457 4.051 20 0 JIADRN O=C(CCc1ccccc1)N1CCCN(c2nnc(-c3cccnc3)n2CCCC(F)(F)F)CC1 ZINC001316557057 1066573971 /nfs/dbraw/zinc/57/39/71/1066573971.db2.gz NFRICUYHFDKFAY-UHFFFAOYSA-N 0 0 486.542 4.354 20 0 JIADRN O=C(C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CC1)C(F)(F)F ZINC001316558338 1066575512 /nfs/dbraw/zinc/57/55/12/1066575512.db2.gz OMDKOFWDNRJVCQ-GOSISDBHSA-N 0 0 484.906 4.203 20 0 JIADRN CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1 ZINC001339293925 1066576099 /nfs/dbraw/zinc/57/60/99/1066576099.db2.gz NZAVOQFQWXMWBZ-OXJNMPFZSA-N 0 0 486.594 4.428 20 0 JIADRN O=C(Nc1ccccn1)c1nnc(N2CCC(F)(F)CC2)n1CCCCOCc1ccccc1 ZINC001316559636 1066576555 /nfs/dbraw/zinc/57/65/55/1066576555.db2.gz GDWXFOZWZRKMSN-UHFFFAOYSA-N 0 0 470.524 4.158 20 0 JIADRN C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 ZINC001339383126 1066577253 /nfs/dbraw/zinc/57/72/53/1066577253.db2.gz DVBKVTSINJVSRK-HXUWFJFHSA-N 0 0 473.683 4.386 20 0 JIADRN COc1cc(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OC ZINC001339388802 1066577878 /nfs/dbraw/zinc/57/78/78/1066577878.db2.gz MUOPGJNFONSSMS-LJQANCHMSA-N 0 0 477.026 4.486 20 0 JIADRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2nnc(C3CCCC3)n2CCCOC(F)(F)F)C1 ZINC001316560294 1066578245 /nfs/dbraw/zinc/57/82/45/1066578245.db2.gz SVZVTMAPGPMTPE-SFHVURJKSA-N 0 0 484.498 4.402 20 0 JIADRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2nnc(C3CCC3)n2CCSC(F)(F)F)C1 ZINC001316560565 1066578723 /nfs/dbraw/zinc/57/87/23/1066578723.db2.gz VWXSYZATVXWMFV-INIZCTEOSA-N 0 0 472.512 4.338 20 0 JIADRN O=C(Cn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCCCCC[C@@H]21)NCC(F)(F)F ZINC001316560947 1066579361 /nfs/dbraw/zinc/57/93/61/1066579361.db2.gz KVHPNZVKIYGPDB-UXHICEINSA-N 0 0 463.548 4.291 20 0 JIADRN CCN(C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)[C@@H](C)Cc1ccsc1 ZINC001476938970 1066580162 /nfs/dbraw/zinc/58/01/62/1066580162.db2.gz NXRCVZDORDGKSL-LBPRGKRZSA-N 0 0 457.415 4.325 20 0 JIADRN O=C(Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1cccs1)NCC(F)(F)F ZINC001316562343 1066580308 /nfs/dbraw/zinc/58/03/08/1066580308.db2.gz MNTCLIRUDOHLNT-OAHLLOKOSA-N 0 0 483.491 4.078 20 0 JIADRN O=C(N1CCCCC1)N1CCN(c2nnc(CCc3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001316562725 1066580348 /nfs/dbraw/zinc/58/03/48/1066580348.db2.gz UXGJLJYQGAOXFD-UHFFFAOYSA-N 0 0 478.563 4.134 20 0 JIADRN O=C(NCc1nnc(N2CCC(F)(F)C2)n1Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC001316563162 1066581463 /nfs/dbraw/zinc/58/14/63/1066581463.db2.gz DZXUWAUGIFMIQP-UHFFFAOYSA-N 0 0 471.455 4.182 20 0 JIADRN O=C(NCc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCCC(F)(F)F)c1cccs1 ZINC001316563839 1066582488 /nfs/dbraw/zinc/58/24/88/1066582488.db2.gz OSJBTTMKJWWQDD-GOSISDBHSA-N 0 0 493.555 4.060 20 0 JIADRN O=C(NCCn1c(-c2ccc(Cl)cc2F)nnc1N(CCC(F)(F)F)CC1CC1)C1CC1 ZINC001316564551 1066583762 /nfs/dbraw/zinc/58/37/62/1066583762.db2.gz GETYYAZVYBGCQW-UHFFFAOYSA-N 0 0 473.902 4.433 20 0 JIADRN Cc1cccc(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492535512 1066584982 /nfs/dbraw/zinc/58/49/82/1066584982.db2.gz OQEUIGKGYUXKRV-JOCHJYFZSA-N 0 0 468.646 4.436 20 0 JIADRN O=C(NCc1nnc(N2CCC(F)(F)C2)n1Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC001316565491 1066585370 /nfs/dbraw/zinc/58/53/70/1066585370.db2.gz ZJNDLNXFOUQENZ-UHFFFAOYSA-N 0 0 487.454 4.062 20 0 JIADRN Cc1ccc(-c2nnc(N3CCN(c4cccc(C)c4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001492535558 1066585493 /nfs/dbraw/zinc/58/54/93/1066585493.db2.gz PXJBOHRXWGHHEZ-LJQANCHMSA-N 0 0 480.613 4.395 20 0 JIADRN Cc1cccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCNC(=O)OC(C)(C)C)CC2)c1C ZINC001492535524 1066585571 /nfs/dbraw/zinc/58/55/71/1066585571.db2.gz OVYWRQDGAVPVLQ-UHFFFAOYSA-N 0 0 479.629 4.131 20 0 JIADRN O=C(NCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccoc2)CC1)C(F)(F)F ZINC001316565671 1066585888 /nfs/dbraw/zinc/58/58/88/1066585888.db2.gz PARCEKGNWZIKDN-UHFFFAOYSA-N 0 0 497.905 4.047 20 0 JIADRN O=C(NCC1CCN(c2nnc(-c3ccccc3F)n2CCCC2CCOCC2)CC1)C(F)(F)F ZINC001316565667 1066585997 /nfs/dbraw/zinc/58/59/97/1066585997.db2.gz OZUFSEHCOFCBRL-UHFFFAOYSA-N 0 0 497.537 4.186 20 0 JIADRN Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)c1 ZINC001492535839 1066586036 /nfs/dbraw/zinc/58/60/36/1066586036.db2.gz AHYTUWSZFIZRQK-UHFFFAOYSA-N 0 0 458.532 4.487 20 0 JIADRN O=C(NCC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccs2)CC1)C(F)(F)F ZINC001316565707 1066586105 /nfs/dbraw/zinc/58/61/05/1066586105.db2.gz QFCBVQDQQJEMOI-UHFFFAOYSA-N 0 0 497.518 4.001 20 0 JIADRN Cc1cccc(NC(=O)CN2CCN(c3nnc(CC4CC4)n3CCCC(C)(C)C)CC2)c1C ZINC001492535995 1066586756 /nfs/dbraw/zinc/58/67/56/1066586756.db2.gz GTSOGLYYABENGW-UHFFFAOYSA-N 0 0 466.674 4.434 20 0 JIADRN O=C(NCC(F)(F)F)C1CCN(c2nnc(C3CCCC3)n2CCc2cc(F)cc(F)c2)CC1 ZINC001316566781 1066587887 /nfs/dbraw/zinc/58/78/87/1066587887.db2.gz YYNHHEBZMFHILL-UHFFFAOYSA-N 0 0 485.501 4.352 20 0 JIADRN O=C1CC[C@H](c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCc2ccccc2Cl)N1 ZINC001316567469 1066588138 /nfs/dbraw/zinc/58/81/38/1066588138.db2.gz MTDHKLHHNKNGCC-QGZVFWFLSA-N 0 0 455.912 4.294 20 0 JIADRN O=C1CC[C@]2(CCN(c3nnc(-c4ccc(F)cc4Br)n3CCCC(F)(F)F)C2)N1 ZINC001316568734 1066589154 /nfs/dbraw/zinc/58/91/54/1066589154.db2.gz MJCCYKVPLNLETQ-GOSISDBHSA-N 0 0 490.299 4.048 20 0 JIADRN O=C1CC[C@@]2(CCN(c3nnc(-c4ccc(F)cc4Br)n3CCCC(F)(F)F)C2)N1 ZINC001316568737 1066589187 /nfs/dbraw/zinc/58/91/87/1066589187.db2.gz MJCCYKVPLNLETQ-SFHVURJKSA-N 0 0 490.299 4.048 20 0 JIADRN O=C1CC[C@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H](F)c2ccc(Br)cc2)N1 ZINC001316569055 1066589443 /nfs/dbraw/zinc/58/94/43/1066589443.db2.gz FRJQYALRVMMYJO-NUEKZKHPSA-N 0 0 486.336 4.184 20 0 JIADRN O=C1CCCN1Cc1nnc(N2CCC=C(Br)C2)n1CCc1ccccc1C(F)(F)F ZINC001316571202 1066591172 /nfs/dbraw/zinc/59/11/72/1066591172.db2.gz JRSALKIYIRIPJZ-UHFFFAOYSA-N 0 0 498.347 4.151 20 0 JIADRN O=C(COc1ccccc1C(=O)OCc1ccc2n[nH]nc2c1)Nc1ccc(Br)cc1 ZINC001341883798 1066591517 /nfs/dbraw/zinc/59/15/17/1066591517.db2.gz OFBOUKITULZCIZ-UHFFFAOYSA-N 0 0 481.306 4.095 20 0 JIADRN O=C1CN(c2nnc(-c3ccccc3Cl)n2CCCOC(F)F)CCN1C1CCCCC1 ZINC001316572643 1066591699 /nfs/dbraw/zinc/59/16/99/1066591699.db2.gz AGUGRXKDNJOUTC-UHFFFAOYSA-N 0 0 467.948 4.209 20 0 JIADRN O=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001316573556 1066592003 /nfs/dbraw/zinc/59/20/03/1066592003.db2.gz XJOIURBLPWEKSZ-UHFFFAOYSA-N 0 0 485.938 4.206 20 0 JIADRN O=C1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC(F)(F)F)[C@H]2CCCC[C@H]2N1 ZINC001316573960 1066592214 /nfs/dbraw/zinc/59/22/14/1066592214.db2.gz JBBJNNQJRAOIRN-CABCVRRESA-N 0 0 459.925 4.034 20 0 JIADRN O=S(=O)(CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1)CC1CC1 ZINC001316576970 1066592975 /nfs/dbraw/zinc/59/29/75/1066592975.db2.gz JJERTXMHBHKYKK-UHFFFAOYSA-N 0 0 476.952 4.202 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001492537514 1066593898 /nfs/dbraw/zinc/59/38/98/1066593898.db2.gz ZZGWDZVNMYJKHE-KRWDZBQOSA-N 0 0 477.396 4.205 20 0 JIADRN O=S1(=O)CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001316579857 1066594377 /nfs/dbraw/zinc/59/43/77/1066594377.db2.gz BUUBNXZMIOWZAP-FUHWJXTLSA-N 0 0 490.979 4.268 20 0 JIADRN OC1(c2c(F)cccc2F)CCN(c2nnc(C3CCCC3)n2CCCOCC(F)F)CC1 ZINC001316579959 1066594416 /nfs/dbraw/zinc/59/44/16/1066594416.db2.gz AUOITIQRFCOZRG-UHFFFAOYSA-N 0 0 470.511 4.374 20 0 JIADRN O=S1(=O)CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001316579859 1066594422 /nfs/dbraw/zinc/59/44/22/1066594422.db2.gz BUUBNXZMIOWZAP-WMZOPIPTSA-N 0 0 490.979 4.268 20 0 JIADRN Cc1ncsc1CN(C)c1nnc(COc2cccc(C)c2)n1CC[S@@](=O)C(C)(C)C ZINC001492537679 1066594923 /nfs/dbraw/zinc/59/49/23/1066594923.db2.gz FXBHVUGMIZOMPL-WJOKGBTCSA-N 0 0 461.657 4.114 20 0 JIADRN O=S1(=O)CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 ZINC001316580827 1066595553 /nfs/dbraw/zinc/59/55/53/1066595553.db2.gz IXURVVXFGOLWQF-AWEZNQCLSA-N 0 0 479.380 4.455 20 0 JIADRN O=C(NCc1ccccc1)c1cccc(OC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c1 ZINC001342519698 1066595945 /nfs/dbraw/zinc/59/59/45/1066595945.db2.gz LGCKVEFTVUOEMB-UHFFFAOYSA-N 0 0 467.481 4.189 20 0 JIADRN OC1(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC001316581851 1066597004 /nfs/dbraw/zinc/59/70/04/1066597004.db2.gz NJMNKTFICNWBIM-OAHLLOKOSA-N 0 0 465.303 4.325 20 0 JIADRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(OC(F)F)cc1 ZINC001342539064 1066597283 /nfs/dbraw/zinc/59/72/83/1066597283.db2.gz RZSLDSXSJIHDSA-BZUAXINKSA-N 0 0 469.506 4.004 20 0 JIADRN O=C(CCC(=O)c1ccc(I)cc1)OCc1noc(-c2ccc(F)cc2)n1 ZINC001342578880 1066598450 /nfs/dbraw/zinc/59/84/50/1066598450.db2.gz BIBMKEGFSRQHBD-UHFFFAOYSA-N 0 0 480.233 4.187 20 0 JIADRN Cc1cccc(CCCOCCOC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1 ZINC001342605276 1066599439 /nfs/dbraw/zinc/59/94/39/1066599439.db2.gz LDUDTRZBFAVEPS-UHFFFAOYSA-N 0 0 457.530 4.204 20 0 JIADRN OC1(C(F)(F)F)CCN(c2nnc(-c3ccc[nH]3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001316582893 1066599710 /nfs/dbraw/zinc/59/97/10/1066599710.db2.gz PEGRVIZHPXZDSE-QWHCGFSZSA-N 0 0 451.415 4.460 20 0 JIADRN O[C@@](Cn1c([C@H]2CCOC2)nnc1N(CCC(F)(F)F)CC1CC1)(c1ccccc1)C(F)(F)F ZINC001316582966 1066599749 /nfs/dbraw/zinc/59/97/49/1066599749.db2.gz RJPZTFTUZLOUJN-JXFKEZNVSA-N 0 0 492.464 4.401 20 0 JIADRN OC1(C(F)(F)F)CCN(c2nnc(-c3ccc[nH]3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001316582892 1066599757 /nfs/dbraw/zinc/59/97/57/1066599757.db2.gz PEGRVIZHPXZDSE-OLZOCXBDSA-N 0 0 451.415 4.460 20 0 JIADRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(OC(F)F)cc1 ZINC001342623205 1066602167 /nfs/dbraw/zinc/60/21/67/1066602167.db2.gz NMYHAPZNDWHHGO-OAGGEKHMSA-N 0 0 469.506 4.004 20 0 JIADRN O=C(CCc1nc2ccccc2s1)OCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC001342621014 1066602244 /nfs/dbraw/zinc/60/22/44/1066602244.db2.gz JCDKYYDHHYFGMX-UHFFFAOYSA-N 0 0 477.565 4.228 20 0 JIADRN Oc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)n2CCOCC(F)(F)C(F)F)cc1 ZINC001316584097 1066602916 /nfs/dbraw/zinc/60/29/16/1066602916.db2.gz CZLLTABMUGMEMF-GOSISDBHSA-N 0 0 465.451 4.304 20 0 JIADRN OCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCCCCC2)CC1 ZINC001316584355 1066603808 /nfs/dbraw/zinc/60/38/08/1066603808.db2.gz FYNRZXFEUWCKON-UHFFFAOYSA-N 0 0 481.410 4.141 20 0 JIADRN O[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC(F)(F)F)CC2CC2)CCSC1 ZINC001316584570 1066604192 /nfs/dbraw/zinc/60/41/92/1066604192.db2.gz QTAKQOZBQCHWQH-KRWDZBQOSA-N 0 0 494.381 4.073 20 0 JIADRN Oc1ccc2c(c1)CN(c1nnc(-c3ccc(Cl)nc3)n1CCOCC(F)(F)C(F)F)CC2 ZINC001316584760 1066605004 /nfs/dbraw/zinc/60/50/04/1066605004.db2.gz LLQICYDWKFELBV-UHFFFAOYSA-N 0 0 485.869 4.179 20 0 JIADRN O[C@]1(Cn2c(-c3cccc(Br)c3)nnc2N(CCC(F)(F)F)CC2CC2)CCOC1 ZINC001316585385 1066606356 /nfs/dbraw/zinc/60/63/56/1066606356.db2.gz XORPTWGHVUDJHR-IBGZPJMESA-N 0 0 489.336 4.028 20 0 JIADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)OCc3c(Cl)nc(Cl)n3-c3ccccc3)cc2)C1 ZINC001343291962 1066607820 /nfs/dbraw/zinc/60/78/20/1066607820.db2.gz GLAUTKPPWACMLH-INIZCTEOSA-N 0 0 473.360 4.238 20 0 JIADRN 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ZINC001316588251 1066615120 /nfs/dbraw/zinc/61/51/20/1066615120.db2.gz QFDPGVGNRFDJKF-UHFFFAOYSA-N 0 0 461.429 4.144 20 0 JIADRN OCC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001316588324 1066615238 /nfs/dbraw/zinc/61/52/38/1066615238.db2.gz RWTMCZUYAZRSOA-UHFFFAOYSA-N 0 0 470.492 4.334 20 0 JIADRN OCCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001316588885 1066616624 /nfs/dbraw/zinc/61/66/24/1066616624.db2.gz VARLKQATAUCXMF-LJQANCHMSA-N 0 0 461.360 4.041 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3cccs3)n2CC2(NC(=O)OC(C)(C)C)COC2)c1 ZINC001492538600 1066617325 /nfs/dbraw/zinc/61/73/25/1066617325.db2.gz LKKBQJXAKAVUOM-UHFFFAOYSA-N 0 0 499.637 4.157 20 0 JIADRN OCCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001316588916 1066617244 /nfs/dbraw/zinc/61/72/44/1066617244.db2.gz VHJFSURSYKQFNB-PMACEKPBSA-N 0 0 479.419 4.023 20 0 JIADRN COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H](C)c3nc(C)no3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001343507127 1066618013 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DEJYTHUTVJFUIW-ZWKOTPCHSA-N 0 0 488.576 4.330 20 0 JIADRN OCCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1CCCCO1 ZINC001316591332 1066621432 /nfs/dbraw/zinc/62/14/32/1066621432.db2.gz DUJUNYSXKILXSC-FQEVSTJZSA-N 0 0 488.430 4.384 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3ccoc3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001492538974 1066621511 /nfs/dbraw/zinc/62/15/11/1066621511.db2.gz YJTHKZMAEABDIZ-UHFFFAOYSA-N 0 0 451.571 4.186 20 0 JIADRN OCCN(Cc1cc(Br)ccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@H](F)C1 ZINC001316591435 1066621905 /nfs/dbraw/zinc/62/19/05/1066621905.db2.gz HXVWMCUFKNOKHH-YJBOKZPZSA-N 0 0 492.368 4.379 20 0 JIADRN OCCN(Cc1cc(Br)ccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001316591432 1066621958 /nfs/dbraw/zinc/62/19/58/1066621958.db2.gz HXVWMCUFKNOKHH-CRAIPNDOSA-N 0 0 492.368 4.379 20 0 JIADRN OCCN(CCOCC(F)(F)F)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCSC1 ZINC001316591626 1066622016 /nfs/dbraw/zinc/62/20/16/1066622016.db2.gz DAEJCSZAZQHSFN-INIZCTEOSA-N 0 0 484.544 4.212 20 0 JIADRN OCCN(Cc1cc(Br)ccc1F)c1nnc(CC2CCCC2)n1C[C@H]1CCCO1 ZINC001316591501 1066622098 /nfs/dbraw/zinc/62/20/98/1066622098.db2.gz KHSCLQUHHZCHRN-LJQANCHMSA-N 0 0 481.410 4.090 20 0 JIADRN OCCN(Cc1ccc(Br)s1)c1nnc(C2CCCC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001316591659 1066622709 /nfs/dbraw/zinc/62/27/09/1066622709.db2.gz MPEQOPBLHPNCAA-RDJZCZTQSA-N 0 0 483.476 4.310 20 0 JIADRN O=C(OCCn1c(=O)oc2ccccc21)c1ccc(COc2cccc(Br)c2)o1 ZINC001343989981 1066623600 /nfs/dbraw/zinc/62/36/00/1066623600.db2.gz HIEQZLDUZYRAEL-UHFFFAOYSA-N 0 0 458.264 4.386 20 0 JIADRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)n1ccnc1 ZINC001344070321 1066624194 /nfs/dbraw/zinc/62/41/94/1066624194.db2.gz QFJHMDKMXLPBMC-ZDUSSCGKSA-N 0 0 452.508 4.198 20 0 JIADRN OCCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001316592320 1066624449 /nfs/dbraw/zinc/62/44/49/1066624449.db2.gz PLGLEENXJACRHT-HSALFYBXSA-N 0 0 452.521 4.465 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001492539279 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ZINC001351572862 1067131931 /nfs/dbraw/zinc/13/19/31/1067131931.db2.gz XEKGBGZUTPZIPO-MRXNPFEDSA-N 0 0 452.370 4.072 20 0 JIADRN Cc1cc(OCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1C(C)C ZINC001351586052 1067134127 /nfs/dbraw/zinc/13/41/27/1067134127.db2.gz LUMLARAJQSRPBT-UHFFFAOYSA-N 0 0 456.608 4.261 20 0 JIADRN CC(C)COc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC001351586039 1067134311 /nfs/dbraw/zinc/13/43/11/1067134311.db2.gz LNLNOMKXZSNMPD-UHFFFAOYSA-N 0 0 456.608 4.028 20 0 JIADRN CC(C)CCOc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC001351586622 1067134422 /nfs/dbraw/zinc/13/44/22/1067134422.db2.gz YNKLCAPIKOOVOZ-AWEZNQCLSA-N 0 0 459.340 4.497 20 0 JIADRN COc1cc(C)c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1OC ZINC001354813359 1067135467 /nfs/dbraw/zinc/13/54/67/1067135467.db2.gz VFAMBXBPOGWEEM-UHFFFAOYSA-N 0 0 459.495 4.196 20 0 JIADRN COc1ccc(C[C@H](C)C(=O)Nc2c(C)cnn2Cc2ccc(OC)c(OC)c2)cc1OC ZINC001351590293 1067137034 /nfs/dbraw/zinc/13/70/34/1067137034.db2.gz OBFCZCPOSDNHPN-INIZCTEOSA-N 0 0 453.539 4.092 20 0 JIADRN COC1CCC(Cn2c(CC(C)C)nnc2N(C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001300726696 1067139132 /nfs/dbraw/zinc/13/91/32/1067139132.db2.gz SGXHQSDBKLHOEQ-UHFFFAOYSA-N 0 0 467.658 4.423 20 0 JIADRN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1C ZINC001321477812 1067140195 /nfs/dbraw/zinc/14/01/95/1067140195.db2.gz CCZQLXVHKCXTRP-UHFFFAOYSA-N 0 0 486.568 4.162 20 0 JIADRN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1ccc(Br)c(Cl)c1 ZINC001351599739 1067140141 /nfs/dbraw/zinc/14/01/41/1067140141.db2.gz GUJUHKGXIUHZCM-UHFFFAOYSA-N 0 0 459.793 4.109 20 0 JIADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC001351599421 1067140491 /nfs/dbraw/zinc/14/04/91/1067140491.db2.gz FOVTZRHMEDARNJ-QGZVFWFLSA-N 0 0 458.352 4.493 20 0 JIADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001351601291 1067142055 /nfs/dbraw/zinc/14/20/55/1067142055.db2.gz TULNKXGTTJIBRY-MJGOQNOKSA-N 0 0 463.456 4.018 20 0 JIADRN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001351616958 1067145316 /nfs/dbraw/zinc/14/53/16/1067145316.db2.gz HUDBBXQKERAHMF-UHFFFAOYSA-N 0 0 456.333 4.355 20 0 JIADRN Cc1cccc(COc2ccc([C@H](C)NC(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2)c1 ZINC001321488766 1067145469 /nfs/dbraw/zinc/14/54/69/1067145469.db2.gz BJLOVYFFUIDNGE-HMILPKGGSA-N 0 0 486.572 4.189 20 0 JIADRN Cc1cc(C)n(-c2ccc(CNC(=O)Cn3cnc(-c4ccccc4)n3)c(C(F)(F)F)c2)n1 ZINC001351627250 1067150216 /nfs/dbraw/zinc/15/02/16/1067150216.db2.gz CTUWGDLYYINEGY-UHFFFAOYSA-N 0 0 454.456 4.083 20 0 JIADRN Cc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1I ZINC001321508275 1067150249 /nfs/dbraw/zinc/15/02/49/1067150249.db2.gz ONRGWDQHRBTRBN-UHFFFAOYSA-N 0 0 468.298 4.264 20 0 JIADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(CCC(N)=O)cc2)c1 ZINC001321508314 1067150955 /nfs/dbraw/zinc/15/09/55/1067150955.db2.gz QFEOEQWHMPBOPJ-UHFFFAOYSA-N 0 0 463.559 4.096 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC001351631598 1067151691 /nfs/dbraw/zinc/15/16/91/1067151691.db2.gz SCRUCNAKXWNOEP-CQSZACIVSA-N 0 0 451.416 4.417 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(C)c1 ZINC001300729618 1067152004 /nfs/dbraw/zinc/15/20/04/1067152004.db2.gz CDTWFLZTAPSKIQ-DNVCBOLYSA-N 0 0 477.382 4.032 20 0 JIADRN CO[C@H]1CCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCOC(C)(C)C ZINC001300729880 1067152684 /nfs/dbraw/zinc/15/26/84/1067152684.db2.gz GIKQBXAJAFXWOH-UGKGYDQZSA-N 0 0 452.603 4.402 20 0 JIADRN Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2n1 ZINC001354828343 1067154878 /nfs/dbraw/zinc/15/48/78/1067154878.db2.gz HPBHRYULEPHLRW-UHFFFAOYSA-N 0 0 453.424 4.297 20 0 JIADRN O=C(NCc1ccnc(N2CCCCC2)c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001354828779 1067156188 /nfs/dbraw/zinc/15/61/88/1067156188.db2.gz KIYSWQIREHJUND-QFIPXVFZSA-N 0 0 457.416 4.288 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC001351652449 1067156820 /nfs/dbraw/zinc/15/68/20/1067156820.db2.gz QXQGZOGFWQSNDP-MRXNPFEDSA-N 0 0 450.988 4.036 20 0 JIADRN O=C1NCCOc2ccc(NC(=S)Nc3c(F)cc(Br)cc3Br)cc21 ZINC001200796749 1067157275 /nfs/dbraw/zinc/15/72/75/1067157275.db2.gz NKFYXDWYVULUAW-UHFFFAOYSA-N 0 0 489.164 4.282 20 0 JIADRN CN(c1ccc(OC(=O)[C@@H]2CCCN2c2ccccc2)cc1)S(=O)(=O)c1ccccc1F ZINC001351661591 1067157269 /nfs/dbraw/zinc/15/72/69/1067157269.db2.gz ALLLDMYVRFDLRU-QFIPXVFZSA-N 0 0 454.523 4.225 20 0 JIADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001351662428 1067159094 /nfs/dbraw/zinc/15/90/94/1067159094.db2.gz HOHHLRQUUZESMA-PGRDOPGGSA-N 0 0 452.617 4.040 20 0 JIADRN COc1cc([C@@H]2NC(=S)N(c3ccccc3F)C(C)=C2C(=O)N(C)C)ccc1OC(C)C ZINC001321536165 1067158785 /nfs/dbraw/zinc/15/87/85/1067158785.db2.gz XCRUDBFQNGJMBV-QFIPXVFZSA-N 0 0 457.571 4.420 20 0 JIADRN Cc1cc(C)n(CCNC(=S)Nc2c(F)cc(Br)cc2Br)n1 ZINC001200796986 1067159227 /nfs/dbraw/zinc/15/92/27/1067159227.db2.gz ZRMDIFURHXPJQL-UHFFFAOYSA-N 0 0 450.175 4.151 20 0 JIADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H](C)NC(=O)CCc1ccccc1 ZINC001354831571 1067159727 /nfs/dbraw/zinc/15/97/27/1067159727.db2.gz KKMCNJYWBCFNRH-QGZVFWFLSA-N 0 0 454.958 4.266 20 0 JIADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1cccc(C)c1Cl ZINC001351663609 1067159742 /nfs/dbraw/zinc/15/97/42/1067159742.db2.gz XHEGKXWHUBGHRL-UHFFFAOYSA-N 0 0 450.988 4.403 20 0 JIADRN COc1cccc(C2=NO[C@@H](C(=O)Oc3c(Br)cccc3Br)C2)c1 ZINC001351663891 1067161196 /nfs/dbraw/zinc/16/11/96/1067161196.db2.gz DKJSSSGNUFEMMO-OAHLLOKOSA-N 0 0 455.102 4.319 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c2ccccc21 ZINC001321549131 1067162415 /nfs/dbraw/zinc/16/24/15/1067162415.db2.gz BADIQGBVTLXUGF-RUZDIDTESA-N 0 0 450.542 4.365 20 0 JIADRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001321551793 1067163396 /nfs/dbraw/zinc/16/33/96/1067163396.db2.gz VJWQYGUTFXEYOG-UHFFFAOYSA-N 0 0 477.309 4.402 20 0 JIADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)NCCc1cc(Br)ccc1F ZINC001351674973 1067164094 /nfs/dbraw/zinc/16/40/94/1067164094.db2.gz UHVGVZAZUTWHQX-MSOLQXFVSA-N 0 0 455.368 4.425 20 0 JIADRN CCS(=O)(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC001321555072 1067164971 /nfs/dbraw/zinc/16/49/71/1067164971.db2.gz DIGFGYYRDAFUJG-QGZVFWFLSA-N 0 0 452.532 4.299 20 0 JIADRN COC1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001300731469 1067165459 /nfs/dbraw/zinc/16/54/59/1067165459.db2.gz NHIFVADWNCQGQE-UHFFFAOYSA-N 0 0 497.684 4.374 20 0 JIADRN CCOC(=O)C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(F)cc1 ZINC001351684038 1067167255 /nfs/dbraw/zinc/16/72/55/1067167255.db2.gz IYEPNIOSTBKTNC-JOCHJYFZSA-N 0 0 458.493 4.498 20 0 JIADRN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)c1cnn2cccnc12 ZINC001321566170 1067167332 /nfs/dbraw/zinc/16/73/32/1067167332.db2.gz JXANOMWLTBKTBZ-UHFFFAOYSA-N 0 0 477.546 4.397 20 0 JIADRN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001321575451 1067170166 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JKQOIQRJIVVPLE-UHFFFAOYSA-N 0 0 458.362 4.261 20 0 JIADRN CCOc1ccc(N2C[C@@H](C(=O)N3CCC(CCc4ccc(OC)cc4)CC3)CC2=O)cc1 ZINC001351705763 1067173961 /nfs/dbraw/zinc/17/39/61/1067173961.db2.gz BIZYMAAPGWBDFI-QFIPXVFZSA-N 0 0 450.579 4.318 20 0 JIADRN COC[C@@H]1Cn2ccnc2CN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200798400 1067173924 /nfs/dbraw/zinc/17/39/24/1067173924.db2.gz BAYSNJIEMTZPTA-SNVBAGLBSA-N 0 0 492.212 4.022 20 0 JIADRN CO[C@@H]1COCC[C@H]1CC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001351707186 1067174987 /nfs/dbraw/zinc/17/49/87/1067174987.db2.gz GZHYLMHCVMBXLD-WMZHIEFXSA-N 0 0 453.970 4.293 20 0 JIADRN CCOC(=O)C1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200798521 1067174958 /nfs/dbraw/zinc/17/49/58/1067174958.db2.gz CKGDKONXMOIJEM-UHFFFAOYSA-N 0 0 468.186 4.323 20 0 JIADRN CC(=O)N1CCCC[C@@H]1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001351707969 1067176034 /nfs/dbraw/zinc/17/60/34/1067176034.db2.gz VQMASYSHWUZVLM-HSZRJFAPSA-N 0 0 450.970 4.252 20 0 JIADRN 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ZGZGPPVRYYBLCP-UHFFFAOYSA-N 0 0 495.624 4.136 20 0 JIADRN COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C)[C@H](C)C2)cc1Br ZINC001315467084 1064297880 /nfs/dbraw/zinc/29/78/80/1064297880.db2.gz WMIZFNFFSKDOFV-SOLBZPMBSA-N 0 0 463.420 4.278 20 0 JIADRN COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCOCC3(CC3)C2)cc1Br ZINC001315467019 1064298056 /nfs/dbraw/zinc/29/80/56/1064298056.db2.gz AQXRGNZJOAPZDO-UHFFFAOYSA-N 0 0 477.447 4.497 20 0 JIADRN COc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCC(OC(C)C)CC2)cc1F ZINC001315467665 1064300607 /nfs/dbraw/zinc/30/06/07/1064300607.db2.gz MJHKNPJPUJIDFZ-UHFFFAOYSA-N 0 0 453.562 4.048 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2ccsc2)cc1OC(F)F ZINC001315468278 1064301945 /nfs/dbraw/zinc/30/19/45/1064301945.db2.gz NIVNBWCPJXHAAW-UHFFFAOYSA-N 0 0 491.564 4.065 20 0 JIADRN COc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)CCNC(=O)C(C)C)cc1Br ZINC001315468250 1064302697 /nfs/dbraw/zinc/30/26/97/1064302697.db2.gz ILAFLFXEEAQUQF-UHFFFAOYSA-N 0 0 494.478 4.089 20 0 JIADRN COc1ccc(CCn2c(Cc3ccccn3)nnc2N(C)CC2CC2)cc1Br ZINC001315468516 1064303053 /nfs/dbraw/zinc/30/30/53/1064303053.db2.gz TXNUHHATNYTIKY-UHFFFAOYSA-N 0 0 456.388 4.124 20 0 JIADRN COc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC[C@H]2C)cc1OC(F)F ZINC001315468874 1064303960 /nfs/dbraw/zinc/30/39/60/1064303960.db2.gz VXIDDHMUALTNQP-HGHGUNKESA-N 0 0 494.583 4.275 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)(C)C)cc1 ZINC001315469657 1064305952 /nfs/dbraw/zinc/30/59/52/1064305952.db2.gz BHPNNOVUJBCVJR-BWKNWUBXSA-N 0 0 460.619 4.025 20 0 JIADRN COc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)C2CCC3(CC2)OCCO3)c(OC)c1 ZINC001315469830 1064306516 /nfs/dbraw/zinc/30/65/16/1064306516.db2.gz RAYYCNOHVJIYRE-UHFFFAOYSA-N 0 0 472.630 4.249 20 0 JIADRN COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCSC(C)(C)C2)c(OC)c1OC ZINC001315470624 1064309019 /nfs/dbraw/zinc/30/90/19/1064309019.db2.gz XLVKQRKZZLXQBX-UHFFFAOYSA-N 0 0 462.660 4.467 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CCCNC(=O)c2occc2C)cc1C ZINC001315471227 1064310629 /nfs/dbraw/zinc/31/06/29/1064310629.db2.gz DADNBXXOABIBFZ-UHFFFAOYSA-N 0 0 453.587 4.251 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)cc1 ZINC001315472261 1064311793 /nfs/dbraw/zinc/31/17/93/1064311793.db2.gz ACXFSMZFGUWLJE-UHFFFAOYSA-N 0 0 484.482 4.478 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@@H](C)C2)cc1OC(F)F ZINC001315472527 1064312542 /nfs/dbraw/zinc/31/25/42/1064312542.db2.gz KJEKBHIOKLRXTJ-CVEARBPZSA-N 0 0 460.529 4.361 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1O ZINC001315473134 1064314272 /nfs/dbraw/zinc/31/42/72/1064314272.db2.gz GJPHTAVFYUBBQQ-CVDCTZTESA-N 0 0 451.571 4.142 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)nc2)cc1C ZINC001315473227 1064315217 /nfs/dbraw/zinc/31/52/17/1064315217.db2.gz GWTZGZKIYTXYHO-UHFFFAOYSA-N 0 0 457.582 4.111 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCO[C@@H]2C(C)C)c(OC)c1 ZINC001315474110 1064318221 /nfs/dbraw/zinc/31/82/21/1064318221.db2.gz KMDBSBRWQILJBD-NZQKXSOJSA-N 0 0 451.571 4.055 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2=CCCOC2)cc1 ZINC001315474867 1064322041 /nfs/dbraw/zinc/32/20/41/1064322041.db2.gz JPVONVJPZKLKSQ-UHFFFAOYSA-N 0 0 497.640 4.384 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CC[C@@H](F)C2)cc1OC(F)F ZINC001315475597 1064324789 /nfs/dbraw/zinc/32/47/89/1064324789.db2.gz WOGBUVAKTBPMBE-GOEBONIOSA-N 0 0 462.476 4.120 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1OC ZINC001315475607 1064324811 /nfs/dbraw/zinc/32/48/11/1064324811.db2.gz WRFQFWKWZKIQDT-KRWDZBQOSA-N 0 0 473.618 4.312 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2Cc2sccc2C)cc1OC(F)F ZINC001315476413 1064328161 /nfs/dbraw/zinc/32/81/61/1064328161.db2.gz ZZVFTUPKDZPERG-UHFFFAOYSA-N 0 0 472.521 4.400 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCc2scnc2C)cc1OC(F)F ZINC001315476420 1064328383 /nfs/dbraw/zinc/32/83/83/1064328383.db2.gz RBBHGXDVYXLRHP-INIZCTEOSA-N 0 0 479.553 4.036 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC(F)(F)Br)cc1OC ZINC001315477949 1064331884 /nfs/dbraw/zinc/33/18/84/1064331884.db2.gz PJCDZDIGNRZMEG-OAHLLOKOSA-N 0 0 475.334 4.161 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCc2cccc(C)n2)c(OC)c1 ZINC001315479227 1064335365 /nfs/dbraw/zinc/33/53/65/1064335365.db2.gz GRDRBFQQPPDFOA-UHFFFAOYSA-N 0 0 478.622 4.234 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001315479730 1064337859 /nfs/dbraw/zinc/33/78/59/1064337859.db2.gz LSMHLPWWCZVCMZ-OAQYLSRUSA-N 0 0 483.579 4.083 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001315479729 1064337874 /nfs/dbraw/zinc/33/78/74/1064337874.db2.gz LSMHLPWWCZVCMZ-NRFANRHFSA-N 0 0 483.579 4.083 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCOc2ncccc2F)cc1F ZINC001315480055 1064338620 /nfs/dbraw/zinc/33/86/20/1064338620.db2.gz BEFFHQKRBWZIDZ-UHFFFAOYSA-N 0 0 457.525 4.408 20 0 JIADRN COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H]2C)cc1OC(F)F ZINC001315480471 1064339170 /nfs/dbraw/zinc/33/91/70/1064339170.db2.gz KLMPUJIJNVTTOH-AEFFLSMTSA-N 0 0 477.556 4.083 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1O ZINC001315480730 1064340510 /nfs/dbraw/zinc/34/05/10/1064340510.db2.gz ROYMQFPJBXUYHT-WMZHIEFXSA-N 0 0 465.598 4.210 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC3CC3)n2C[C@H]2OCCC2(C)C)cc1OC(F)F ZINC001315480903 1064341498 /nfs/dbraw/zinc/34/14/98/1064341498.db2.gz RAIDHRDBSLFIAV-LJQANCHMSA-N 0 0 450.530 4.292 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2cnn(CC(C)C)c2C)cc1C ZINC001315481807 1064343596 /nfs/dbraw/zinc/34/35/96/1064343596.db2.gz QLXLINHKZWCPEU-HSZRJFAPSA-N 0 0 452.603 4.292 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(F)(F)C2)cc1 ZINC001315482496 1064345572 /nfs/dbraw/zinc/34/55/72/1064345572.db2.gz BMQSKYGIBMQDBP-KRWDZBQOSA-N 0 0 475.565 4.350 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2sccc2C)c(OC)c1 ZINC001315482467 1064345758 /nfs/dbraw/zinc/34/57/58/1064345758.db2.gz AJZZYBTXBXCANI-UHFFFAOYSA-N 0 0 480.638 4.406 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCSC2(C)C)cc1 ZINC001315482796 1064346451 /nfs/dbraw/zinc/34/64/51/1064346451.db2.gz FWCSOHIVJPIPCZ-GOSISDBHSA-N 0 0 485.679 4.446 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCCCC2)cc1C ZINC001315483357 1064348763 /nfs/dbraw/zinc/34/87/63/1064348763.db2.gz MDBSRSCMQFJBGC-UHFFFAOYSA-N 0 0 497.665 4.308 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccc(C)o2)cc1OC(F)F ZINC001315483507 1064348856 /nfs/dbraw/zinc/34/88/56/1064348856.db2.gz ZWFZNWVUJCPFTL-KRWDZBQOSA-N 0 0 489.523 4.318 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)(C)C)cs2)cc1O ZINC001315483729 1064350335 /nfs/dbraw/zinc/35/03/35/1064350335.db2.gz TZYVUGVFYJJDOG-UHFFFAOYSA-N 0 0 495.653 4.293 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2nc(C)c(C)s2)cc1C ZINC001315484025 1064351151 /nfs/dbraw/zinc/35/11/51/1064351151.db2.gz XERFMPAYPRYBBD-UHFFFAOYSA-N 0 0 479.654 4.409 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)C2CCCCC2)c(OC)c1 ZINC001315484434 1064352451 /nfs/dbraw/zinc/35/24/51/1064352451.db2.gz KGTCDHKMHNGPMW-SFHVURJKSA-N 0 0 478.597 4.396 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N(C)Cc2ccccc2Br)c(OC)n1 ZINC001315484597 1064352681 /nfs/dbraw/zinc/35/26/81/1064352681.db2.gz PSMUWKLTQCSBOO-UHFFFAOYSA-N 0 0 460.376 4.261 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(OC(C)(C)C)CC2)cn1 ZINC001315484630 1064353158 /nfs/dbraw/zinc/35/31/58/1064353158.db2.gz QUWZEHQGFIUKQO-UHFFFAOYSA-N 0 0 492.624 4.383 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC001315484823 1064353451 /nfs/dbraw/zinc/35/34/51/1064353451.db2.gz YOIBRCSUUWPKDY-GASCZTMLSA-N 0 0 474.487 4.093 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)cc1Br ZINC001315485089 1064353958 /nfs/dbraw/zinc/35/39/58/1064353958.db2.gz HCAJLLKHODMPLA-QGZVFWFLSA-N 0 0 473.419 4.023 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC(OC[C@@H]3CCOC3)CC2)cc1OC(F)F ZINC001315485460 1064354876 /nfs/dbraw/zinc/35/48/76/1064354876.db2.gz QCSWAIIEMDMCTP-GOSISDBHSA-N 0 0 480.556 4.082 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001315486105 1064356856 /nfs/dbraw/zinc/35/68/56/1064356856.db2.gz BQGACJUOWHMATO-HUUCEWRRSA-N 0 0 461.360 4.280 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](OC)C2)c(OC)n1 ZINC001315486586 1064358244 /nfs/dbraw/zinc/35/82/44/1064358244.db2.gz HKXYJMBZPZKEPR-NRFANRHFSA-N 0 0 465.598 4.318 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N2CCc3cc(OCC(C)(C)C)ccc3C2)c(OC)n1 ZINC001315486808 1064359038 /nfs/dbraw/zinc/35/90/38/1064359038.db2.gz XTZGQQIBKAJWGY-UHFFFAOYSA-N 0 0 451.571 4.035 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cn1 ZINC001315487012 1064359838 /nfs/dbraw/zinc/35/98/38/1064359838.db2.gz MCTWJVVJSRYBOY-QUCCMNQESA-N 0 0 496.612 4.428 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)c(OC)n1 ZINC001315487310 1064360496 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001316274684 1066024102 /nfs/dbraw/zinc/02/41/02/1066024102.db2.gz GRYYUBTVIODVII-JBACZVJFSA-N 0 0 482.547 4.383 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C)o2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001316274845 1066024850 /nfs/dbraw/zinc/02/48/50/1066024850.db2.gz SARKNJUIYSSSEQ-UWJYYQICSA-N 0 0 490.988 4.259 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Br)s2)n1CC(C)(C)COC ZINC001316274525 1066024872 /nfs/dbraw/zinc/02/48/72/1066024872.db2.gz PZVMXCDNJQXGDB-YOEHRIQHSA-N 0 0 487.464 4.135 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(SC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1C ZINC001316275402 1066026718 /nfs/dbraw/zinc/02/67/18/1066026718.db2.gz SAFKUGFNTVHAME-UDSSINMLSA-N 0 0 490.670 4.042 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC(C)(C)SC ZINC001316275646 1066027732 /nfs/dbraw/zinc/02/77/32/1066027732.db2.gz ZGZPCPMSMKKJMY-NNFQHLJZSA-N 0 0 480.700 4.079 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2SC)n1CC[C@H]1CCCCO1 ZINC001316275869 1066027937 /nfs/dbraw/zinc/02/79/37/1066027937.db2.gz YBSRHNGRGSSURF-VWPQPMDRSA-N 0 0 460.644 4.320 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cscn2)n1CC(C)(C)c1ccccc1F ZINC001316276435 1066028878 /nfs/dbraw/zinc/02/88/78/1066028878.db2.gz MRGRISRARDCUCG-JXFKEZNVSA-N 0 0 459.591 4.212 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(C)C)n1Cc1ccccc1Br ZINC001316277116 1066029669 /nfs/dbraw/zinc/02/96/69/1066029669.db2.gz ZGSDAMSODITLCZ-HKUYNNGSSA-N 0 0 451.409 4.295 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccsc1 ZINC001316277230 1066029742 /nfs/dbraw/zinc/02/97/42/1066029742.db2.gz LLYOLVHSWVKHEM-BBRMVZONSA-N 0 0 473.546 4.224 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(C)on2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001316277429 1066030173 /nfs/dbraw/zinc/03/01/73/1066030173.db2.gz RNAYFSJZWYKFNI-ONIAQPFYSA-N 0 0 457.497 4.229 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1cc(Cl)ccc1OC ZINC001316277458 1066030527 /nfs/dbraw/zinc/03/05/27/1066030527.db2.gz SLUOSQDYEWYFJZ-KXBFYZLASA-N 0 0 470.948 4.194 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2ccc(Cl)cc2)n1Cc1ncccc1C ZINC001316277690 1066030588 /nfs/dbraw/zinc/03/05/88/1066030588.db2.gz CVWKCWOAOMQWSR-UGKGYDQZSA-N 0 0 455.990 4.086 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001316279167 1066032607 /nfs/dbraw/zinc/03/26/07/1066032607.db2.gz BRJOKDJTUOHLGE-BURNTYAHSA-N 0 0 493.693 4.424 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CCOc1ccc(F)c(Cl)c1 ZINC001316279484 1066033305 /nfs/dbraw/zinc/03/33/05/1066033305.db2.gz CAKZXXDWFDNCFA-DLRJPAPCSA-N 0 0 466.985 4.498 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCOCc1ccc(OC)cc1 ZINC001316280346 1066034387 /nfs/dbraw/zinc/03/43/87/1066034387.db2.gz GMGJPDCHIZMGLL-RRPUWOKSSA-N 0 0 472.630 4.100 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCOc1ccc(F)cc1 ZINC001316280787 1066034928 /nfs/dbraw/zinc/03/49/28/1066034928.db2.gz HFXHAAHAPXTUPT-IPJJNNNSSA-N 0 0 460.594 4.483 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(C)C)C2)n1Cc1sccc1Br ZINC001316281260 1066035697 /nfs/dbraw/zinc/03/56/97/1066035697.db2.gz JBLOUDLPAYULNZ-VKJFTORMSA-N 0 0 469.449 4.357 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC(C)(C)C(C)C ZINC001316281330 1066035781 /nfs/dbraw/zinc/03/57/81/1066035781.db2.gz KRTHOHZZVRRNDV-HJNYFJLDSA-N 0 0 477.694 4.061 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC1CCCCC1 ZINC001316281641 1066036278 /nfs/dbraw/zinc/03/62/78/1066036278.db2.gz JQPRSJZTZKFWES-QESAQDPVSA-N 0 0 491.677 4.322 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H](OC)C(C)(C)C ZINC001316281930 1066036578 /nfs/dbraw/zinc/03/65/78/1066036578.db2.gz WIVSJTKISDXLRZ-NYVOZVTQSA-N 0 0 460.594 4.371 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 ZINC001316282977 1066037910 /nfs/dbraw/zinc/03/79/10/1066037910.db2.gz VBOJDJBUBXWQFG-SLCLMUJNSA-N 0 0 481.062 4.373 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001316282896 1066038072 /nfs/dbraw/zinc/03/80/72/1066038072.db2.gz SLRMHHZVNRKBOH-GIVPXCGWSA-N 0 0 479.666 4.130 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C ZINC001316283496 1066038949 /nfs/dbraw/zinc/03/89/49/1066038949.db2.gz RLQHUJVMMYDNOY-FYQPLNBISA-N 0 0 479.666 4.178 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C ZINC001316283501 1066038975 /nfs/dbraw/zinc/03/89/75/1066038975.db2.gz RLQHUJVMMYDNOY-HAGHYFMRSA-N 0 0 479.666 4.178 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1cc(Br)ccc1OC ZINC001316283995 1066039780 /nfs/dbraw/zinc/03/97/80/1066039780.db2.gz AUTUFDFICBOCTD-JJDSTIRJSA-N 0 0 493.446 4.304 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCc1ccc(C)c(OC)c1 ZINC001316284023 1066040260 /nfs/dbraw/zinc/04/02/60/1066040260.db2.gz BFCBAYILTRHBCA-RRPUWOKSSA-N 0 0 456.631 4.434 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001316284784 1066041609 /nfs/dbraw/zinc/04/16/09/1066041609.db2.gz GURUUTHZMBDAJK-HARLFGEKSA-N 0 0 469.630 4.076 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CC(C)(C)C(C)C ZINC001316285409 1066041782 /nfs/dbraw/zinc/04/17/82/1066041782.db2.gz BSILQWWYCORXIZ-GMAHTHKFSA-N 0 0 488.648 4.397 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001316287287 1066045101 /nfs/dbraw/zinc/04/51/01/1066045101.db2.gz XAIYJVVZLUIKRC-WQCNXYOZSA-N 0 0 467.383 4.322 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCCCSC ZINC001316287787 1066045921 /nfs/dbraw/zinc/04/59/21/1066045921.db2.gz GOUPFQDDFXVJRY-RCJHGTSTSA-N 0 0 463.475 4.165 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([C@H]3CCCO3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001316288053 1066046329 /nfs/dbraw/zinc/04/63/29/1066046329.db2.gz UBUPZJSSFDZBBT-WOZUAGRISA-N 0 0 466.692 4.175 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](c3ccccc3)[C@H]2C)n1CCCN(C)CC(F)(F)F ZINC001316288452 1066046632 /nfs/dbraw/zinc/04/66/32/1066046632.db2.gz ZONUZTDYWUWOJA-ZDFPQIBNSA-N 0 0 495.590 4.269 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(C)C2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001316289954 1066048635 /nfs/dbraw/zinc/04/86/35/1066048635.db2.gz IMTTZXDMFOYLDG-BWAGFHJFSA-N 0 0 460.022 4.115 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC(C)(C)C(C)C ZINC001316290070 1066049178 /nfs/dbraw/zinc/04/91/78/1066049178.db2.gz CBHTZZZZBSVZHV-KSZLIROESA-N 0 0 462.557 4.232 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 ZINC001316290425 1066049573 /nfs/dbraw/zinc/04/95/73/1066049573.db2.gz ADCVVXGPELECGH-DXIQSLLYSA-N 0 0 458.603 4.105 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2C(C)C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001316291043 1066050634 /nfs/dbraw/zinc/05/06/34/1066050634.db2.gz GPGHFQHDKVRWIG-HQRMLTQVSA-N 0 0 468.520 4.416 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1CCc1ccc(F)c(F)c1F ZINC001316291248 1066051808 /nfs/dbraw/zinc/05/18/08/1066051808.db2.gz QTRDSGGLVNBKKC-DOXZYTNZSA-N 0 0 474.474 4.144 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C)n1CCc1ccc(Br)s1 ZINC001316291310 1066052177 /nfs/dbraw/zinc/05/21/77/1066052177.db2.gz IHZULJLAJQVNHW-KEYYUXOJSA-N 0 0 455.422 4.058 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001316292560 1066053913 /nfs/dbraw/zinc/05/39/13/1066053913.db2.gz YQKZKUIIZYTXFB-MLNNCEHLSA-N 0 0 491.677 4.274 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2c2cccc(OC)c2)n1CCSC(C)C ZINC001316293164 1066054664 /nfs/dbraw/zinc/05/46/64/1066054664.db2.gz SKZSGFNUQWYSJW-NNWRFLSQSA-N 0 0 460.644 4.494 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001316293285 1066054954 /nfs/dbraw/zinc/05/49/54/1066054954.db2.gz OMTODOOSKRSGAV-XZOYJPPVSA-N 0 0 479.021 4.108 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](SC)C2)n1CCCOC1CCCCC1 ZINC001316293562 1066055222 /nfs/dbraw/zinc/05/52/22/1066055222.db2.gz VANWWWSNBFGJMX-BVSLBCMMSA-N 0 0 466.692 4.463 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1CCCCC1 ZINC001316294315 1066055863 /nfs/dbraw/zinc/05/58/63/1066055863.db2.gz FILNBDOOGYVVNR-GIVPXCGWSA-N 0 0 477.650 4.028 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)c1cccc(C)c1 ZINC001316301271 1066061408 /nfs/dbraw/zinc/06/14/08/1066061408.db2.gz FQGIGMPQMBWGQR-UDIDDNNKSA-N 0 0 499.656 4.218 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(CSc4ccc(Cl)cc4)n3CCC(=O)NC(C)(C)C)CC[C@H]12 ZINC001316301565 1066061963 /nfs/dbraw/zinc/06/19/63/1066061963.db2.gz FPNBZILQBPAFBC-XUVXKRRUSA-N 0 0 492.089 4.247 20 0 JIADRN 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/nfs/dbraw/zinc/39/78/62/1066397862.db2.gz KXSJBYHNDWFSNH-IFMALSPDSA-N 0 0 493.656 4.484 20 0 JIADRN Cc1cccc(CC2(O)CCN(c3nnc(C(C)C)n3Cc3cccc(Br)n3)CC2)c1 ZINC001492524661 1066398327 /nfs/dbraw/zinc/39/83/27/1066398327.db2.gz UPERGUWIDBROLL-UHFFFAOYSA-N 0 0 484.442 4.490 20 0 JIADRN Cc1nc(Cn2c(CC(C)C)nnc2N2CCC(O)(Cc3cccc(C)c3)CC2)sc1C ZINC001492524574 1066398632 /nfs/dbraw/zinc/39/86/32/1066398632.db2.gz RSEWPMFJNXHBNE-UHFFFAOYSA-N 0 0 453.656 4.481 20 0 JIADRN CSCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001316482617 1066399389 /nfs/dbraw/zinc/39/93/89/1066399389.db2.gz ZZRQHIZZIUTGEG-HXUWFJFHSA-N 0 0 468.671 4.023 20 0 JIADRN CSCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001316482852 1066400681 /nfs/dbraw/zinc/40/06/81/1066400681.db2.gz UQSCZNPAFFLIBU-LZWOXQAQSA-N 0 0 483.589 4.322 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1 ZINC001316482903 1066400772 /nfs/dbraw/zinc/40/07/72/1066400772.db2.gz WLULCGJRLLKXJH-OALUTQOASA-N 0 0 460.644 4.180 20 0 JIADRN Cc1cccc(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)n1 ZINC001492525052 1066401593 /nfs/dbraw/zinc/40/15/93/1066401593.db2.gz GSUNLDACVJYOQL-IBGZPJMESA-N 0 0 488.558 4.281 20 0 JIADRN Cc1cccc(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)n1 ZINC001492525053 1066401983 /nfs/dbraw/zinc/40/19/83/1066401983.db2.gz GSUNLDACVJYOQL-LJQANCHMSA-N 0 0 488.558 4.281 20 0 JIADRN C[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1O ZINC001316483804 1066402318 /nfs/dbraw/zinc/40/23/18/1066402318.db2.gz UKUXIACWOMTSOH-JRFVFWCSSA-N 0 0 497.684 4.450 20 0 JIADRN C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1O ZINC001316483756 1066402439 /nfs/dbraw/zinc/40/24/39/1066402439.db2.gz GJWYQUITTHBSBB-COPCDDAFSA-N 0 0 485.629 4.317 20 0 JIADRN C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCOCC2CC2)C[C@@H]1O ZINC001316483802 1066402447 /nfs/dbraw/zinc/40/24/47/1066402447.db2.gz UKMNQINDUVUWLH-BEFAXECRSA-N 0 0 469.413 4.188 20 0 JIADRN CCCn1c2ccccc2n(CCc2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1=O ZINC001334873435 1066402565 /nfs/dbraw/zinc/40/25/65/1066402565.db2.gz ODEXWRNTSSLVEV-QFIPXVFZSA-N 0 0 477.565 4.453 20 0 JIADRN Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCOC[C@H]2C)n1 ZINC001492525540 1066406082 /nfs/dbraw/zinc/40/60/82/1066406082.db2.gz SSYXPGQCFWHZDS-MRXNPFEDSA-N 0 0 474.378 4.408 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001316486189 1066406931 /nfs/dbraw/zinc/40/69/31/1066406931.db2.gz RYQDEOOYXANPCU-LSTHTHJFSA-N 0 0 476.021 4.051 20 0 JIADRN Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@H]2C)n1 ZINC001492525632 1066407114 /nfs/dbraw/zinc/40/71/14/1066407114.db2.gz UMHGYBOVRQSKJI-MRXNPFEDSA-N 0 0 475.460 4.324 20 0 JIADRN CCOC(=O)c1ccc(N2CCCN(Cn3nc(-c4ccccc4F)n(C4CC4)c3=S)CC2)nc1 ZINC001335299772 1066407872 /nfs/dbraw/zinc/40/78/72/1066407872.db2.gz JTVQTFOVEFJDJS-UHFFFAOYSA-N 0 0 496.612 4.297 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ncccc2N(C)C)C[C@@H]1F ZINC001316487841 1066412009 /nfs/dbraw/zinc/41/20/09/1066412009.db2.gz DJRHIUITVVYIJC-PBHICJAKSA-N 0 0 459.367 4.011 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCCCCCO)CCN1C(=O)OC(C)(C)C ZINC001316487730 1066412048 /nfs/dbraw/zinc/41/20/48/1066412048.db2.gz SVXMPARZORVHAI-HXUWFJFHSA-N 0 0 494.640 4.492 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC001316487851 1066412845 /nfs/dbraw/zinc/41/28/45/1066412845.db2.gz DQUKLCDGGVYTQA-VHDGCEQUSA-N 0 0 476.341 4.250 20 0 JIADRN Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC001492526512 1066416051 /nfs/dbraw/zinc/41/60/51/1066416051.db2.gz BLQHIDPOWOCHEG-UHFFFAOYSA-N 0 0 466.655 4.227 20 0 JIADRN Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC001492526715 1066416196 /nfs/dbraw/zinc/41/61/96/1066416196.db2.gz JFEFWZPUWHWPRZ-UHFFFAOYSA-N 0 0 469.655 4.243 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC001316489030 1066419084 /nfs/dbraw/zinc/41/90/84/1066419084.db2.gz FHEYUBADAGTDCD-KBAYOESNSA-N 0 0 487.567 4.206 20 0 JIADRN O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1(O)CCCC1 ZINC001335674139 1066419763 /nfs/dbraw/zinc/41/97/63/1066419763.db2.gz RYVRBGFTBJHDCD-UHFFFAOYSA-N 0 0 478.014 4.375 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCSC2)C[C@@H]1F ZINC001316489339 1066420540 /nfs/dbraw/zinc/42/05/40/1066420540.db2.gz MIQMEISEWAFVBO-YRXWBPOGSA-N 0 0 467.655 4.330 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C(F)(F)F ZINC001316489691 1066422298 /nfs/dbraw/zinc/42/22/98/1066422298.db2.gz DYYOCFIQNXJXTH-RDTXWAMCSA-N 0 0 481.906 4.066 20 0 JIADRN Cc1cccc(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001492527667 1066424553 /nfs/dbraw/zinc/42/45/53/1066424553.db2.gz OTLAMNWAABWNIX-SFHVURJKSA-N 0 0 485.057 4.262 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1C(F)(F)F ZINC001316490660 1066424610 /nfs/dbraw/zinc/42/46/10/1066424610.db2.gz DEJKIDIWIJQPDI-OXQOHEQNSA-N 0 0 459.516 4.174 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001316490863 1066425851 /nfs/dbraw/zinc/42/58/51/1066425851.db2.gz IWOUDAOFCKEVJR-FQELHTAISA-N 0 0 499.459 4.349 20 0 JIADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1F ZINC001316491298 1066426626 /nfs/dbraw/zinc/42/66/26/1066426626.db2.gz TWZDLUGTMZRFCX-APWZRJJASA-N 0 0 463.479 4.242 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001316491898 1066428002 /nfs/dbraw/zinc/42/80/02/1066428002.db2.gz UQVIYKUPLOBNRD-YZGWKJHDSA-N 0 0 461.651 4.442 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCC2)C[C@H]1C(F)(F)F ZINC001316491632 1066428183 /nfs/dbraw/zinc/42/81/83/1066428183.db2.gz DTMFIWNIVCLSOA-CZUORRHYSA-N 0 0 489.336 4.169 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2OCCC2(C)C)C[C@@H]1F ZINC001316492002 1066429217 /nfs/dbraw/zinc/42/92/17/1066429217.db2.gz JJOXJOPGIHUVMJ-FHLIZLRMSA-N 0 0 467.383 4.229 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCSC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001316492434 1066431015 /nfs/dbraw/zinc/43/10/15/1066431015.db2.gz JUBQHYUTQZVWNP-KZNAEPCWSA-N 0 0 465.664 4.107 20 0 JIADRN Cc1cccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001492528616 1066432614 /nfs/dbraw/zinc/43/26/14/1066432614.db2.gz BMZQLOIAGYQPKX-HXUWFJFHSA-N 0 0 450.587 4.318 20 0 JIADRN O=C(CCC(=O)N1CCc2sccc2C1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001336269300 1066434562 /nfs/dbraw/zinc/43/45/62/1066434562.db2.gz JZKVFWGROBMNFT-UHFFFAOYSA-N 0 0 477.961 4.389 20 0 JIADRN COC1(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001336245543 1066434586 /nfs/dbraw/zinc/43/45/86/1066434586.db2.gz YIWOITUXVYGNOR-UHFFFAOYSA-N 0 0 497.967 4.378 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCn2ccnn2)C[C@H](C)C1(F)F ZINC001316493232 1066434908 /nfs/dbraw/zinc/43/49/08/1066434908.db2.gz IKSDOPFZEAUCGU-GASCZTMLSA-N 0 0 480.361 4.117 20 0 JIADRN Cc1cccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC001492528954 1066436881 /nfs/dbraw/zinc/43/68/81/1066436881.db2.gz XVZNAWBFZGDYCA-AVRDEDQJSA-N 0 0 467.639 4.310 20 0 JIADRN C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1cccc(F)c1)NC(=O)OC(C)(C)C ZINC001316493795 1066436719 /nfs/dbraw/zinc/43/67/19/1066436719.db2.gz HPALFYMNJHDRMP-OXQOHEQNSA-N 0 0 467.549 4.129 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCC(F)F)C[C@H](C)C1(F)F ZINC001316493840 1066436903 /nfs/dbraw/zinc/43/69/03/1066436903.db2.gz AKICGCQUNRUUGE-GASCZTMLSA-N 0 0 453.484 4.446 20 0 JIADRN Cc1cccc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCNC(=O)C(C)C)n1 ZINC001492529005 1066437124 /nfs/dbraw/zinc/43/71/24/1066437124.db2.gz IWBWIWDWSQSFOJ-UHFFFAOYSA-N 0 0 475.424 4.406 20 0 JIADRN C[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CCC(F)(F)C2)CCN1C(=O)OC(C)(C)C ZINC001316494214 1066437863 /nfs/dbraw/zinc/43/78/63/1066437863.db2.gz GEXHEYMQOWBSAK-IRXDYDNUSA-N 0 0 464.561 4.165 20 0 JIADRN CC1(C)CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)c2cccc(Cl)c21 ZINC001336459017 1066438773 /nfs/dbraw/zinc/43/87/73/1066438773.db2.gz ZVHVWNBGAJWTEW-UHFFFAOYSA-N 0 0 456.789 4.342 20 0 JIADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001316494879 1066439700 /nfs/dbraw/zinc/43/97/00/1066439700.db2.gz QKRCLFPCIBBWPC-CTNGQTDRSA-N 0 0 480.613 4.245 20 0 JIADRN Cc1cccc(CCn2c(-c3cccnc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001492529442 1066440029 /nfs/dbraw/zinc/44/00/29/1066440029.db2.gz WDOFYHQHBDXAHJ-QFIPXVFZSA-N 0 0 462.598 4.385 20 0 JIADRN Cc1cccc(CCn2c(C3CCCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001492529724 1066440828 /nfs/dbraw/zinc/44/08/28/1066440828.db2.gz FCBWDVRGXLFTCF-UWJYYQICSA-N 0 0 454.619 4.231 20 0 JIADRN 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/nfs/dbraw/zinc/10/22/87/1067102287.db2.gz MZUPJZJPJBDCFG-UHFFFAOYSA-N 0 0 465.619 4.005 20 0 JIADRN Cc1ccc(-c2csc3ncn(CCC(=O)NCCc4ccc(N(C)C)cc4)c(=O)c23)cc1 ZINC001321214456 1067102304 /nfs/dbraw/zinc/10/23/04/1067102304.db2.gz CYXQXJFVLAFQOT-UHFFFAOYSA-N 0 0 460.603 4.248 20 0 JIADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NCCc2ccc(N(C)C)cc2)c(Cl)cc1Cl ZINC001321214467 1067102480 /nfs/dbraw/zinc/10/24/80/1067102480.db2.gz DPAZRBCZIQHKLZ-HNNXBMFYSA-N 0 0 486.465 4.499 20 0 JIADRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001351490660 1067105983 /nfs/dbraw/zinc/10/59/83/1067105983.db2.gz NUEPSOYSPXEKMN-VQTJNVASSA-N 0 0 481.659 4.317 20 0 JIADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001321334803 1067105956 /nfs/dbraw/zinc/10/59/56/1067105956.db2.gz OGTQRBCHSSISNT-AREMUKBSSA-N 0 0 490.585 4.108 20 0 JIADRN COC1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001300720543 1067106871 /nfs/dbraw/zinc/10/68/71/1067106871.db2.gz 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CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(Br)cc2F)cc1 ZINC001351511083 1067113128 /nfs/dbraw/zinc/11/31/28/1067113128.db2.gz ZKKBATMINXYMDQ-KRWDZBQOSA-N 0 0 453.333 4.141 20 0 JIADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C ZINC001351517550 1067115386 /nfs/dbraw/zinc/11/53/86/1067115386.db2.gz RBDOPMFWTQENSC-QXMHVHEDSA-N 0 0 459.546 4.456 20 0 JIADRN COC1CCC(CCn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300721808 1067116622 /nfs/dbraw/zinc/11/66/22/1067116622.db2.gz OUZMNFPDNRFDAR-VCAKUFKGSA-N 0 0 459.660 4.347 20 0 JIADRN CCOc1ccc(C[C@@H](C)C(=O)NCCN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC001354799014 1067117731 /nfs/dbraw/zinc/11/77/31/1067117731.db2.gz OYPAHBJVVPLTGY-IPEVAPCJSA-N 0 0 452.576 4.425 20 0 JIADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001351530015 1067120246 /nfs/dbraw/zinc/12/02/46/1067120246.db2.gz MHWYKEOMEPKTAW-HUUCEWRRSA-N 0 0 455.511 4.155 20 0 JIADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(-c4ccccc4F)on3)C2=O)cc1 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GVYJWDARWQIGEA-NRFANRHFSA-N 0 0 457.573 4.394 20 0 JIADRN COc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c2ccccc2)cc1 ZINC001321450512 1067132214 /nfs/dbraw/zinc/13/22/14/1067132214.db2.gz OHSXKMUVYBKMHE-HHHXNRCGSA-N 0 0 491.551 4.217 20 0 JIADRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(Br)nc(Br)c1 ZINC001351581747 1067132902 /nfs/dbraw/zinc/13/29/02/1067132902.db2.gz OWXYVALTYHZFDQ-AWEZNQCLSA-N 0 0 456.134 4.417 20 0 JIADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cc4c(cn3)OCCC4)cc2Cl)n1 ZINC001351585349 1067133381 /nfs/dbraw/zinc/13/33/81/1067133381.db2.gz HGFGDUDDYJBMPP-HNNXBMFYSA-N 0 0 453.930 4.325 20 0 JIADRN O=C(Cc1ccc2c(c1)OC(F)(F)O2)Nc1ccnn1Cc1ccccc1Br ZINC001351585178 1067133420 /nfs/dbraw/zinc/13/34/20/1067133420.db2.gz BVOKREYJGDARLX-UHFFFAOYSA-N 0 0 450.239 4.197 20 0 JIADRN CCO[C@@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccccc1 ZINC001354812551 1067133704 /nfs/dbraw/zinc/13/37/04/1067133704.db2.gz HWFQUOGHFRHSSL-DHIUTWEWSA-N 0 0 459.514 4.352 20 0 JIADRN Cc1nc(-c2ccccc2)n(CN2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC001321451511 1067133897 /nfs/dbraw/zinc/13/38/97/1067133897.db2.gz JEFIFJHQTUUAQX-UHFFFAOYSA-N 0 0 467.573 4.248 20 0 JIADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cn(C)nc3C(F)F)cc2Cl)n1 ZINC001351585778 1067134074 /nfs/dbraw/zinc/13/40/74/1067134074.db2.gz MXHLRJPKSWQBFY-LBPRGKRZSA-N 0 0 450.877 4.276 20 0 JIADRN CCc1cccc(OCC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1 ZINC001354812789 1067134517 /nfs/dbraw/zinc/13/45/17/1067134517.db2.gz JHGHFRXFDAGVFS-DEOSSOPVSA-N 0 0 459.514 4.215 20 0 JIADRN O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2csc(C3CCCCC3)c2)c1 ZINC001354813778 1067136123 /nfs/dbraw/zinc/13/61/23/1067136123.db2.gz XWOZNIKGKUHFCU-UHFFFAOYSA-N 0 0 455.624 4.387 20 0 JIADRN Cc1cnc(Cl)c(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1 ZINC001354814481 1067136881 /nfs/dbraw/zinc/13/68/81/1067136881.db2.gz VSNHDWSJYMNDMV-IBGZPJMESA-N 0 0 450.894 4.245 20 0 JIADRN CCc1ccc(C(=O)N[C@H](c2ccccc2)C(CC)CC)cc1S(=O)(=O)N1CCOCC1 ZINC001354814191 1067137153 /nfs/dbraw/zinc/13/71/53/1067137153.db2.gz HRMJRASUXZYFST-DEOSSOPVSA-N 0 0 458.624 4.177 20 0 JIADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(F)c(F)c2F)c2cc(F)ccc2F)c1 ZINC001354814130 1067137174 /nfs/dbraw/zinc/13/71/74/1067137174.db2.gz SPTQIBLVMBAXMT-HXUWFJFHSA-N 0 0 455.404 4.305 20 0 JIADRN Cn1c(=O)cc(C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)c2ccccc21 ZINC001321474935 1067139757 /nfs/dbraw/zinc/13/97/57/1067139757.db2.gz ALPCJHHSIQPZLI-UHFFFAOYSA-N 0 0 494.311 4.282 20 0 JIADRN CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(S(C)(=O)=O)cc1 ZINC001351601132 1067141076 /nfs/dbraw/zinc/14/10/76/1067141076.db2.gz RFOZFBJZMHXKKM-UHFFFAOYSA-N 0 0 452.319 4.256 20 0 JIADRN CSCC[C@@H](NC(=O)Cc1c(Cl)cccc1Br)c1nnc2ccccn21 ZINC001351603383 1067143495 /nfs/dbraw/zinc/14/34/95/1067143495.db2.gz IQGZNUBRHSRUMV-OAHLLOKOSA-N 0 0 453.793 4.298 20 0 JIADRN CSCC[C@H](NC(=O)CCc1cccc(F)c1Br)c1nnc2ccccn21 ZINC001351604637 1067143563 /nfs/dbraw/zinc/14/35/63/1067143563.db2.gz MQACWZOQECWAKX-HNNXBMFYSA-N 0 0 451.365 4.174 20 0 JIADRN CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001300727900 1067143838 /nfs/dbraw/zinc/14/38/38/1067143838.db2.gz RXNPHRJOBGIUAU-PMACEKPBSA-N 0 0 452.636 4.486 20 0 JIADRN COc1ccc(CCNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c(OC)c1OC ZINC001321486711 1067143891 /nfs/dbraw/zinc/14/38/91/1067143891.db2.gz RVEXCTYQRJOWQL-UHFFFAOYSA-N 0 0 467.541 4.414 20 0 JIADRN CC(=O)[C@@H]1CC(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)=NN1c1ccccc1 ZINC001351613214 1067145211 /nfs/dbraw/zinc/14/52/11/1067145211.db2.gz PYFZRCCBOCUYCY-FQEVSTJZSA-N 0 0 455.440 4.362 20 0 JIADRN C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC001351620622 1067147292 /nfs/dbraw/zinc/14/72/92/1067147292.db2.gz RDHWOHDVVSITQP-UTKZUKDTSA-N 0 0 453.539 4.162 20 0 JIADRN O=C(NCc1cc(F)ccc1Br)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001354825878 1067147339 /nfs/dbraw/zinc/14/73/39/1067147339.db2.gz ZYYJSWAEWPSJQX-UHFFFAOYSA-N 0 0 454.361 4.381 20 0 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Cc1ccc(NC(=O)Cc2cc(Br)ccc2Cl)cc1S(=O)(=O)NC1CC1 ZINC001353926174 1068758809 /nfs/dbraw/zinc/75/88/09/1068758809.db2.gz IBPHRWXAIQVRLB-UHFFFAOYSA-N 0 0 457.777 4.033 20 0 JIADRN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC001353925832 1068758831 /nfs/dbraw/zinc/75/88/31/1068758831.db2.gz GUNVQAGVFIXQSM-REHUZNOOSA-N 0 0 456.608 4.160 20 0 JIADRN O=C(NCCCCSc1ccccc1Br)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001353925687 1068758929 /nfs/dbraw/zinc/75/89/29/1068758929.db2.gz DNVOVOQWPBHLQX-OAHLLOKOSA-N 0 0 451.386 4.079 20 0 JIADRN COc1ccccc1-c1csc(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)n1 ZINC001353927456 1068760774 /nfs/dbraw/zinc/76/07/74/1068760774.db2.gz SMAFYEJKZPKBIR-QGZVFWFLSA-N 0 0 459.321 4.301 20 0 JIADRN COc1ccccc1[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC1CCOCC1)OC(C)C ZINC001300454322 1068768521 /nfs/dbraw/zinc/76/85/21/1068768521.db2.gz BTLHOYLCMNRNMG-DEOSSOPVSA-N 0 0 465.598 4.378 20 0 JIADRN COc1cccc2c1CCN(c1nnc([C@@H]3CCCOC3)n1CCCCNC(=O)OC(C)(C)C)C2 ZINC001300454371 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CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ncoc2-c2ccccc2Cl)ccc1F ZINC001353950615 1068792553 /nfs/dbraw/zinc/79/25/53/1068792553.db2.gz PKFVZUVJOWWXEQ-UHFFFAOYSA-N 0 0 451.907 4.463 20 0 JIADRN COC(=O)CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 ZINC001353951802 1068796020 /nfs/dbraw/zinc/79/60/20/1068796020.db2.gz VGIFLPMLWDYTCY-UHFFFAOYSA-N 0 0 454.552 4.342 20 0 JIADRN Cc1ccc(Br)c(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC001353951622 1068796131 /nfs/dbraw/zinc/79/61/31/1068796131.db2.gz QZQPLUQTOHALCU-UHFFFAOYSA-N 0 0 451.386 4.376 20 0 JIADRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(CC(C)C)C2CC2)c(C)c1 ZINC001353953337 1068797404 /nfs/dbraw/zinc/79/74/04/1068797404.db2.gz KODUTFSXBIJWEY-UHFFFAOYSA-N 0 0 456.652 4.492 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492565748 1068798016 /nfs/dbraw/zinc/79/80/16/1068798016.db2.gz IMIBFKKGVQKBEY-HXUWFJFHSA-N 0 0 498.672 4.298 20 0 JIADRN COc1ccccc1-c1cc(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)n(-c2ccccc2)n1 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COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)OC(C)(C)C2)cc1F ZINC001315487391 1064360641 /nfs/dbraw/zinc/36/06/41/1064360641.db2.gz IABWDRJZEWGJFW-CYBMUJFWSA-N 0 0 478.366 4.235 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccoc2)cn1 ZINC001315487423 1064361179 /nfs/dbraw/zinc/36/11/79/1064361179.db2.gz JKGPIZUQORTGLM-UHFFFAOYSA-N 0 0 454.328 4.389 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCOC(C)(C)[C@@H]2C)cn1 ZINC001315487616 1064362676 /nfs/dbraw/zinc/36/26/76/1064362676.db2.gz BBIBMJABJBEQND-SFHVURJKSA-N 0 0 481.597 4.197 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](C(F)F)C2)c(OC)c1OC ZINC001315488632 1064365721 /nfs/dbraw/zinc/36/57/21/1064365721.db2.gz VSKKLNCHEBVZEK-MRXNPFEDSA-N 0 0 462.497 4.402 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1F ZINC001315489293 1064368810 /nfs/dbraw/zinc/36/88/10/1064368810.db2.gz NXCNTBNGWQGWJO-SJCJKPOMSA-N 0 0 485.869 4.346 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1F ZINC001315489292 1064368926 /nfs/dbraw/zinc/36/89/26/1064368926.db2.gz NXCNTBNGWQGWJO-PXAZEXFGSA-N 0 0 485.869 4.346 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2cscn2)c(OC)n1 ZINC001315490019 1064371813 /nfs/dbraw/zinc/37/18/13/1064371813.db2.gz QHBRMCOALUNJEO-OAHLLOKOSA-N 0 0 484.557 4.111 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3C)nnc2N(C)Cc2cnc(C)s2)c(OC)n1 ZINC001315490681 1064373538 /nfs/dbraw/zinc/37/35/38/1064373538.db2.gz OOJAXUKCPOZLTJ-UHFFFAOYSA-N 0 0 450.568 4.115 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)OC(C)(C)C2)c(OC)n1 ZINC001315491012 1064374850 /nfs/dbraw/zinc/37/48/50/1064374850.db2.gz WNHWNSUMOOVUSI-UYAOXDASSA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(OCCC(C)C)CC2)cn1 ZINC001315491250 1064375727 /nfs/dbraw/zinc/37/57/27/1064375727.db2.gz IUWVCMGPKDKEBC-UHFFFAOYSA-N 0 0 450.587 4.132 20 0 JIADRN 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ZINC001315493806 1064381598 /nfs/dbraw/zinc/38/15/98/1064381598.db2.gz CCYVFOREUMABSW-NRFANRHFSA-N 0 0 471.602 4.070 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC001315493941 1064381790 /nfs/dbraw/zinc/38/17/90/1064381790.db2.gz CZPWYNCQPISHCW-LPHOPBHVSA-N 0 0 472.483 4.263 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)c(OC)c1OC ZINC001315495080 1064385421 /nfs/dbraw/zinc/38/54/21/1064385421.db2.gz DKBKOQGLLHLWNJ-LJQANCHMSA-N 0 0 470.614 4.429 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](OC)C(C)(C)C2)c(C(F)(F)F)c1 ZINC001315495164 1064386041 /nfs/dbraw/zinc/38/60/41/1064386041.db2.gz RMVXPHXXYDOTHV-RBUKOAKNSA-N 0 0 468.520 4.457 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)c(F)c1 ZINC001315495088 1064386261 /nfs/dbraw/zinc/38/62/61/1064386261.db2.gz DPGJUYIORGKIMG-HNNXBMFYSA-N 0 0 481.391 4.438 20 0 JIADRN COc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@H](C)C2)cc1 ZINC001315495505 1064386866 /nfs/dbraw/zinc/38/68/66/1064386866.db2.gz IURDFNJMLCQHSG-SFHVURJKSA-N 0 0 455.603 4.296 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)OC2CCCC2)cc1Br ZINC001315495337 1064386951 /nfs/dbraw/zinc/38/69/51/1064386951.db2.gz SZVRQVXLQBXGNI-MRXNPFEDSA-N 0 0 465.392 4.302 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1 ZINC001315496957 1064390065 /nfs/dbraw/zinc/39/00/65/1064390065.db2.gz DANICMPULXWCBX-INIZCTEOSA-N 0 0 481.519 4.335 20 0 JIADRN COc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)cc1Cl ZINC001315497185 1064390077 /nfs/dbraw/zinc/39/00/77/1064390077.db2.gz JCFXQOLYAUIYHW-IBGZPJMESA-N 0 0 490.004 4.063 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc1Br ZINC001315497996 1064391841 /nfs/dbraw/zinc/39/18/41/1064391841.db2.gz KWOPKJJKDJGDKO-ZDUSSCGKSA-N 0 0 488.352 4.048 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@H](C(C)(C)C)C2)c(OC)n1 ZINC001315498358 1064392733 /nfs/dbraw/zinc/39/27/33/1064392733.db2.gz 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NQORVXNJEBWSOH-HSZRJFAPSA-N 0 0 469.630 4.283 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(c4ccsc4)CC3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001315532215 1064518654 /nfs/dbraw/zinc/51/86/54/1064518654.db2.gz XEUJQQNYSZOUQA-UHFFFAOYSA-N 0 0 497.665 4.474 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H]2CSCCS2)cc1 ZINC001315532397 1064519251 /nfs/dbraw/zinc/51/92/51/1064519251.db2.gz HLJIQJVFNXWLMI-OAQYLSRUSA-N 0 0 492.711 4.498 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CCSC2)cc1 ZINC001315532906 1064520277 /nfs/dbraw/zinc/52/02/77/1064520277.db2.gz BMLJJZGUCGANQF-NQIIRXRSSA-N 0 0 460.644 4.403 20 0 JIADRN COc1ccc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCC(C)C)cc1 ZINC001315533525 1064521482 /nfs/dbraw/zinc/52/14/82/1064521482.db2.gz KWKOELZLBOQSIR-SFHVURJKSA-N 0 0 469.552 4.375 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)cc1 ZINC001315533596 1064521604 /nfs/dbraw/zinc/52/16/04/1064521604.db2.gz PYSRHRVQRQJBPZ-IBGZPJMESA-N 0 0 485.629 4.405 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H](n4nc(C)nc4C)C3)n2CC(C)(C)SC)cc1 ZINC001315533760 1064522123 /nfs/dbraw/zinc/52/21/23/1064522123.db2.gz GJZJDKDQDJTSEU-LJQANCHMSA-N 0 0 485.658 4.057 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001315534340 1064523889 /nfs/dbraw/zinc/52/38/89/1064523889.db2.gz DQRKENMKXYCJHC-QZTJIDSGSA-N 0 0 491.658 4.111 20 0 JIADRN COc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001315534811 1064524901 /nfs/dbraw/zinc/52/49/01/1064524901.db2.gz PGRIMHJZMDDONT-RBDMOPTHSA-N 0 0 498.546 4.084 20 0 JIADRN COc1ccc(OCc2nnc(N3CCSC4(CCOCC4)C3)n2CCCC(C)C)cc1 ZINC001315535061 1064525494 /nfs/dbraw/zinc/52/54/94/1064525494.db2.gz ILIPZMOVVWWFBP-UHFFFAOYSA-N 0 0 460.644 4.404 20 0 JIADRN COc1ccc(OCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(C)cs2)cc1 ZINC001315535979 1064527437 /nfs/dbraw/zinc/52/74/37/1064527437.db2.gz CKTJGEYNSMKCCU-UHFFFAOYSA-N 0 0 452.584 4.163 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2Cc2ccnc(SC)c2)cc1 ZINC001315536218 1064527955 /nfs/dbraw/zinc/52/79/55/1064527955.db2.gz OZEUFBIJGATRGE-IRXDYDNUSA-N 0 0 471.652 4.361 20 0 JIADRN COc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[C@H]2CCCCO2)cc1 ZINC001315538649 1064532956 /nfs/dbraw/zinc/53/29/56/1064532956.db2.gz XIFYATUOXLBFNB-GGAORHGYSA-N 0 0 458.603 4.076 20 0 JIADRN COc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCC=C(C)C)cc1 ZINC001315538574 1064533207 /nfs/dbraw/zinc/53/32/07/1064533207.db2.gz VZRNGMAPGARNIZ-GOSISDBHSA-N 0 0 467.536 4.295 20 0 JIADRN COc1ccc(OCCN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC001315538905 1064533735 /nfs/dbraw/zinc/53/37/35/1064533735.db2.gz IAGWNGQSBDMRAI-TXTKFYIRSA-N 0 0 472.630 4.147 20 0 JIADRN COc1ccc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C)C2)cc1 ZINC001315539359 1064534256 /nfs/dbraw/zinc/53/42/56/1064534256.db2.gz AEPOHYAHWDQQEJ-HNNXBMFYSA-N 0 0 460.376 4.360 20 0 JIADRN COc1ccc(OCCCn2c(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nnc2C(C)(C)C)cc1 ZINC001315540734 1064537071 /nfs/dbraw/zinc/53/70/71/1064537071.db2.gz JNXOWFXIQQLHBQ-LJQANCHMSA-N 0 0 487.645 4.499 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2c(C)nn(C)c2C)c1 ZINC001315541633 1064539450 /nfs/dbraw/zinc/53/94/50/1064539450.db2.gz GMZHYTJNEKYWAV-UHFFFAOYSA-N 0 0 490.656 4.113 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(CC3CC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001315541577 1064539669 /nfs/dbraw/zinc/53/96/69/1064539669.db2.gz DTDBNSCVEWKXNI-QGZVFWFLSA-N 0 0 465.564 4.290 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001315541866 1064540178 /nfs/dbraw/zinc/54/01/78/1064540178.db2.gz HQNMPGWWIMKOIE-FQEVSTJZSA-N 0 0 475.515 4.018 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CNC(C)=O)CC2)c1 ZINC001315541751 1064540220 /nfs/dbraw/zinc/54/02/20/1064540220.db2.gz HAAWZCWZSPCLAE-UHFFFAOYSA-N 0 0 497.043 4.332 20 0 JIADRN COc1ccc(OCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001315542165 1064540579 /nfs/dbraw/zinc/54/05/79/1064540579.db2.gz ZGGTWFQQSSNESX-XMMPIXPASA-N 0 0 496.656 4.401 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H]2CSC)c1 ZINC001315542025 1064540771 /nfs/dbraw/zinc/54/07/71/1064540771.db2.gz JRFLLVLTCQFTCL-IBGZPJMESA-N 0 0 480.638 4.244 20 0 JIADRN COc1cccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(C)o2)c1 ZINC001315542812 1064542159 /nfs/dbraw/zinc/54/21/59/1064542159.db2.gz QCEGDIKOLRRKBK-DHIUTWEWSA-N 0 0 495.624 4.173 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)CC(C)(C)C2)c1 ZINC001315543333 1064544048 /nfs/dbraw/zinc/54/40/48/1064544048.db2.gz XHVAWYYEHJMSMI-LJQANCHMSA-N 0 0 453.631 4.259 20 0 JIADRN COc1ccc(OCCn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001315543679 1064544439 /nfs/dbraw/zinc/54/44/39/1064544439.db2.gz XRIHNGIJRPKYSZ-AUSIDOKSSA-N 0 0 499.656 4.448 20 0 JIADRN COc1cccc(C(C)(C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOCC2)c1 ZINC001315544134 1064545479 /nfs/dbraw/zinc/54/54/79/1064545479.db2.gz AMOADRWPPWVIBK-NRFANRHFSA-N 0 0 485.629 4.173 20 0 JIADRN COc1cccc([C@H](C)N2CCN(c3nnc(C4CC4)n3C[C@@H](C)CNC(=O)OC(C)(C)C)CC2)c1 ZINC001315544172 1064545583 /nfs/dbraw/zinc/54/55/83/1064545583.db2.gz AQFHHBLSNJPIMM-PMACEKPBSA-N 0 0 498.672 4.208 20 0 JIADRN COc1ccc2c(c1)CCC[C@H]2Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001315544151 1064545772 /nfs/dbraw/zinc/54/57/72/1064545772.db2.gz LGJJNDRALXHKQX-IRLDBZIGSA-N 0 0 467.658 4.298 20 0 JIADRN COc1cccc([C@H](C)N2CCN(c3nnc(C4CC4)n3C[C@H](C)CNC(=O)OC(C)(C)C)CC2)c1 ZINC001315544174 1064545821 /nfs/dbraw/zinc/54/58/21/1064545821.db2.gz AQFHHBLSNJPIMM-UXHICEINSA-N 0 0 498.672 4.208 20 0 JIADRN COc1ccc2c(c1)C(CCn1c(-c3cc(Br)cn3C)nnc1N(C)OC)=CC2 ZINC001315544488 1064547144 /nfs/dbraw/zinc/54/71/44/1064547144.db2.gz OYBZHWASOFWZIW-UHFFFAOYSA-N 0 0 458.360 4.082 20 0 JIADRN COc1cccc([C@H](C)N2CCN(c3nnc(CC4CC4)n3CCSC(F)(F)F)CC2)c1 ZINC001315546702 1064554881 /nfs/dbraw/zinc/55/48/81/1064554881.db2.gz XSDHTKWLJUYKAF-INIZCTEOSA-N 0 0 469.577 4.375 20 0 JIADRN COc1ccc2c(c1)CN(c1nnc([C@]3(OC(C)C)CCOC3)n1CCCC(F)(F)F)CC2 ZINC001315547298 1064556340 /nfs/dbraw/zinc/55/63/40/1064556340.db2.gz WAFWVXRSIDVVSN-QFIPXVFZSA-N 0 0 468.520 4.233 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2Cc2ccn(C)n2)c1 ZINC001315548613 1064561107 /nfs/dbraw/zinc/56/11/07/1064561107.db2.gz CWBNJEHIFZHMBZ-UHFFFAOYSA-N 0 0 473.400 4.196 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCS(=O)(=O)CC2CC2)c1 ZINC001315548864 1064561668 /nfs/dbraw/zinc/56/16/68/1064561668.db2.gz FXALLCGJFIYPIH-UHFFFAOYSA-N 0 0 481.043 4.130 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2CC2(C)COC2)c1 ZINC001315548908 1064562638 /nfs/dbraw/zinc/56/26/38/1064562638.db2.gz HKAFMZAGBWLQDS-UHFFFAOYSA-N 0 0 463.401 4.451 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3ccoc3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001315549372 1064563879 /nfs/dbraw/zinc/56/38/79/1064563879.db2.gz NJJLCNFTRMNKJT-UHFFFAOYSA-N 0 0 455.559 4.488 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H]2CC=CCO2)c1 ZINC001315550972 1064567668 /nfs/dbraw/zinc/56/76/68/1064567668.db2.gz CJIAXNLIFQKWJQ-MRXNPFEDSA-N 0 0 465.501 4.411 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCOc2ncccc2Cl)c1 ZINC001315550985 1064567713 /nfs/dbraw/zinc/56/77/13/1064567713.db2.gz CTMSGPSLCGUEQF-UHFFFAOYSA-N 0 0 488.379 4.104 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCSC(F)(F)F)c1 ZINC001315551814 1064568491 /nfs/dbraw/zinc/56/84/91/1064568491.db2.gz KVXCTYCKGFBKJM-UHFFFAOYSA-N 0 0 460.913 4.230 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3cc(C)on3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001315552828 1064569845 /nfs/dbraw/zinc/56/98/45/1064569845.db2.gz UJOMGCXQJBCVEX-UHFFFAOYSA-N 0 0 458.444 4.349 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccnc(SC)c2)c1 ZINC001315553518 1064570776 /nfs/dbraw/zinc/57/07/76/1064570776.db2.gz DRGYONQJUSQWAD-KDOFPFPSSA-N 0 0 479.528 4.275 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001315553484 1064570810 /nfs/dbraw/zinc/57/08/10/1064570810.db2.gz DDWHKUPWRVUTDG-ZTGNMCTISA-N 0 0 499.656 4.054 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCCC(F)(F)F)c1 ZINC001315553586 1064571446 /nfs/dbraw/zinc/57/14/46/1064571446.db2.gz FUQZDBOVIFVFOR-INIZCTEOSA-N 0 0 454.493 4.071 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001315554037 1064571988 /nfs/dbraw/zinc/57/19/88/1064571988.db2.gz OKCODGOJEJVLJG-GOSISDBHSA-N 0 0 473.618 4.214 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001315554140 1064572323 /nfs/dbraw/zinc/57/23/23/1064572323.db2.gz QLHCVMNRDKGKMG-HXUWFJFHSA-N 0 0 481.563 4.089 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCOc2ccc(Cl)cn2)c1 ZINC001315554500 1064572978 /nfs/dbraw/zinc/57/29/78/1064572978.db2.gz WFHLFHPUTWQRKS-KDOFPFPSSA-N 0 0 497.905 4.237 20 0 JIADRN COc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCc2cccc(C)n2)c1 ZINC001315555113 1064574092 /nfs/dbraw/zinc/57/40/92/1064574092.db2.gz DWGLLAZMUIFDPA-UHFFFAOYSA-N 0 0 465.598 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JIADRN COc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC(C)(C)C(C)C ZINC001315625269 1064766517 /nfs/dbraw/zinc/76/65/17/1064766517.db2.gz IOBRMRHNGWVZEV-UHFFFAOYSA-N 0 0 455.647 4.301 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1CC(C)(C)SC ZINC001315625648 1064768094 /nfs/dbraw/zinc/76/80/94/1064768094.db2.gz AFUGUBVTXYLANI-SFHVURJKSA-N 0 0 470.643 4.170 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC(C)(C)C(C)C ZINC001315626034 1064769161 /nfs/dbraw/zinc/76/91/61/1064769161.db2.gz QRFOFCJWHRCZEG-UHFFFAOYSA-N 0 0 454.537 4.453 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC[C@@H](C)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001315626605 1064770327 /nfs/dbraw/zinc/77/03/27/1064770327.db2.gz HGOFBOQIQOXFMU-LJQANCHMSA-N 0 0 457.619 4.419 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1nc(C)cs1 ZINC001315627166 1064772134 /nfs/dbraw/zinc/77/21/34/1064772134.db2.gz GCDHMEPUWBSJQM-QGZVFWFLSA-N 0 0 481.544 4.238 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCCOC(F)(F)F ZINC001315627841 1064773065 /nfs/dbraw/zinc/77/30/65/1064773065.db2.gz LORNTMAZNYPXFT-INIZCTEOSA-N 0 0 496.452 4.352 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC[C@@H](OC)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001315628414 1064774582 /nfs/dbraw/zinc/77/45/82/1064774582.db2.gz QSKVAODYJNGQMQ-OAQYLSRUSA-N 0 0 495.590 4.157 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCS1 ZINC001315628326 1064774705 /nfs/dbraw/zinc/77/47/05/1064774705.db2.gz BDNWZUBCTGCAQK-HXUWFJFHSA-N 0 0 487.670 4.220 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CC[C@@H](F)C1 ZINC001315629899 1064778115 /nfs/dbraw/zinc/77/81/15/1064778115.db2.gz QMMLPCUFPVNAMJ-IRFCIJBXSA-N 0 0 487.620 4.461 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001315629895 1064778303 /nfs/dbraw/zinc/77/83/03/1064778303.db2.gz QLJLWMVFBSNPAB-LNLFQRSKSA-N 0 0 469.527 4.089 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1CC(C)(C)C(C)C ZINC001315630213 1064779562 /nfs/dbraw/zinc/77/95/62/1064779562.db2.gz WFKXKESLTADFBY-UHFFFAOYSA-N 0 0 480.657 4.487 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1Cc1nc(C(F)(F)F)cs1 ZINC001315630594 1064780820 /nfs/dbraw/zinc/78/08/20/1064780820.db2.gz CSZODDPDDLMFNU-ZDUSSCGKSA-N 0 0 469.558 4.343 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCSCC2)n1Cc1cc(Br)cs1 ZINC001315630892 1064781878 /nfs/dbraw/zinc/78/18/78/1064781878.db2.gz HULODYUZUQUNPY-UHFFFAOYSA-N 0 0 465.442 4.303 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001315631879 1064784097 /nfs/dbraw/zinc/78/40/97/1064784097.db2.gz RLYZXBRWDXPAHE-CEXWTWQISA-N 0 0 489.686 4.369 20 0 JIADRN COc1ccccc1Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC(C)(C)SC ZINC001315633083 1064786926 /nfs/dbraw/zinc/78/69/26/1064786926.db2.gz RDCYOJBSWIGIMD-BVZFJXPGSA-N 0 0 487.670 4.123 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001315633470 1064787451 /nfs/dbraw/zinc/78/74/51/1064787451.db2.gz 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COc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccsc1Br ZINC001315638080 1064796481 /nfs/dbraw/zinc/79/64/81/1064796481.db2.gz ZLIDXYMKOLXZPT-UHFFFAOYSA-N 0 0 473.400 4.196 20 0 JIADRN COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C(C)(C)C)n1CCc1nccs1 ZINC001315638175 1064796596 /nfs/dbraw/zinc/79/65/96/1064796596.db2.gz CHPQLJODXFHXJF-IBGZPJMESA-N 0 0 455.628 4.469 20 0 JIADRN COc1ccccc1CN(c1nnc([C@H]2CCCOC2)n1CC(F)(F)Br)C1CC1 ZINC001315638153 1064796641 /nfs/dbraw/zinc/79/66/41/1064796641.db2.gz BXKYGCKMRZVVEM-HNNXBMFYSA-N 0 0 471.346 4.337 20 0 JIADRN COc1ccccc1CN(c1nnc(C(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 ZINC001315638395 1064797849 /nfs/dbraw/zinc/79/78/49/1064797849.db2.gz HBOJNUKZGCOQRP-UHFFFAOYSA-N 0 0 453.631 4.402 20 0 JIADRN COc1ccccc1CN(Cc1cccs1)c1nnc(C(C)C)n1CC1(O)CCOCC1 ZINC001315639306 1064799297 /nfs/dbraw/zinc/79/92/97/1064799297.db2.gz RMCUXICVLVKLEP-UHFFFAOYSA-N 0 0 456.612 4.220 20 0 JIADRN COc1ccccc1CN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)OC ZINC001315639383 1064799691 /nfs/dbraw/zinc/79/96/91/1064799691.db2.gz UORDESGAAUMJBN-LJQANCHMSA-N 0 0 456.612 4.484 20 0 JIADRN COc1ccccc1CN(c1nnc(-c2cnccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 ZINC001315639364 1064799782 /nfs/dbraw/zinc/79/97/82/1064799782.db2.gz TYAYPTQYRWVVDT-SFHVURJKSA-N 0 0 493.612 4.074 20 0 JIADRN COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(C(C)(C)C)n1C[C@H]1CC(F)(F)CO1 ZINC001315639610 1064800420 /nfs/dbraw/zinc/80/04/20/1064800420.db2.gz VQKLVXLILPYLCB-RTBURBONSA-N 0 0 464.557 4.194 20 0 JIADRN COc1ccccc1CN(CCO)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001315640604 1064803070 /nfs/dbraw/zinc/80/30/70/1064803070.db2.gz VAAFXBXKDNOSII-QPPBQGQZSA-N 0 0 481.641 4.132 20 0 JIADRN COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)C ZINC001315640958 1064803415 /nfs/dbraw/zinc/80/34/15/1064803415.db2.gz YPJHCYRFJWIWGF-SFTDATJTSA-N 0 0 469.630 4.250 20 0 JIADRN COc1ccccc1N1CC[C@H](Cn2c(N(C)Cc3ncc(Cl)n3C)nnc2C(C)(C)C)C1 ZINC001315642194 1064806284 /nfs/dbraw/zinc/80/62/84/1064806284.db2.gz AENWKTTUFNYHLJ-KRWDZBQOSA-N 0 0 472.037 4.134 20 0 JIADRN COc1ccccc1N1CCN(c2nnc(CC(C)C)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001315643366 1064809709 /nfs/dbraw/zinc/80/97/09/1064809709.db2.gz ODZWFTPWDGKREC-SFHVURJKSA-N 0 0 454.644 4.380 20 0 JIADRN COc1ccccc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001315643989 1064811052 /nfs/dbraw/zinc/81/10/52/1064811052.db2.gz NMYUKBPNLNZPEB-NRFANRHFSA-N 0 0 485.629 4.270 20 0 JIADRN COc1ccccc1N1CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CCCSC)C1 ZINC001315644558 1064812226 /nfs/dbraw/zinc/81/22/26/1064812226.db2.gz ZVOXNFKBMXZXOI-HXUWFJFHSA-N 0 0 466.655 4.373 20 0 JIADRN COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001315644735 1064812247 /nfs/dbraw/zinc/81/22/47/1064812247.db2.gz ZZUNLIGMOHXUOZ-IBGZPJMESA-N 0 0 483.638 4.110 20 0 JIADRN COc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001315645427 1064814329 /nfs/dbraw/zinc/81/43/29/1064814329.db2.gz FNMJMJPCMCGUBP-PMACEKPBSA-N 0 0 485.673 4.474 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1CC1CCN(C(C)=O)CC1 ZINC001315645472 1064814398 /nfs/dbraw/zinc/81/43/98/1064814398.db2.gz AXNZTUAIQUUMIS-UHFFFAOYSA-N 0 0 469.630 4.139 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)Cc2scnc2C)n1C[C@H](OC)C(C)(C)C ZINC001315646073 1064816675 /nfs/dbraw/zinc/81/66/75/1064816675.db2.gz BENAUFMSGAQQIV-FQEVSTJZSA-N 0 0 459.616 4.328 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)Cc2ccc(C)s2)n1C[C@@H]1CC(F)(F)CO1 ZINC001315646069 1064816830 /nfs/dbraw/zinc/81/68/30/1064816830.db2.gz BDNMFVPDSSEGQF-INIZCTEOSA-N 0 0 464.538 4.296 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001315646385 1064817965 /nfs/dbraw/zinc/81/79/65/1064817965.db2.gz HTTKYSYOACYDBI-GBPOLFSSSA-N 0 0 485.629 4.356 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1sccc1C ZINC001315646670 1064819381 /nfs/dbraw/zinc/81/93/81/1064819381.db2.gz GTEYRHUNJQVTJV-UHFFFAOYSA-N 0 0 473.002 4.307 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)Cc2ccccn2)n1C[C@H](C)c1ncc(C)s1 ZINC001315647125 1064821168 /nfs/dbraw/zinc/82/11/68/1064821168.db2.gz KTEKQTOUTOYXCE-KRWDZBQOSA-N 0 0 464.595 4.466 20 0 JIADRN COc1ccccc1O[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](C)C1 ZINC001315647720 1064822353 /nfs/dbraw/zinc/82/23/53/1064822353.db2.gz QRXJTWYLGOFBQJ-DLBZAZTESA-N 0 0 457.962 4.085 20 0 JIADRN COc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001315648845 1064824388 /nfs/dbraw/zinc/82/43/88/1064824388.db2.gz QJISCRJPGKDDGU-IBGZPJMESA-N 0 0 484.670 4.040 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC1(C)CC1 ZINC001315649068 1064826165 /nfs/dbraw/zinc/82/61/65/1064826165.db2.gz YKKYPSPWQDZXAU-UHFFFAOYSA-N 0 0 464.492 4.055 20 0 JIADRN COc1ccccc1O[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccco1 ZINC001315649596 1064826883 /nfs/dbraw/zinc/82/68/83/1064826883.db2.gz SXHJRTMHRBSEIE-MRXNPFEDSA-N 0 0 453.568 4.339 20 0 JIADRN COc1ccccc1OCc1nnc(N(C)CCC2CCOCC2)n1Cc1nc(C)c(C)s1 ZINC001315649956 1064826931 /nfs/dbraw/zinc/82/69/31/1064826931.db2.gz 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ZINC001316426244 1066246034 /nfs/dbraw/zinc/24/60/34/1066246034.db2.gz MHHZRHJBQWDYOX-VQTJNVASSA-N 0 0 459.685 4.193 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2Cc2cccc(Br)n2)C1 ZINC001316426489 1066246922 /nfs/dbraw/zinc/24/69/22/1066246922.db2.gz IAOUOCITIUCSQO-MRXNPFEDSA-N 0 0 461.433 4.211 20 0 JIADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001325418669 1066248102 /nfs/dbraw/zinc/24/81/02/1066248102.db2.gz KWDOZFXKXZFXSI-OAQYLSRUSA-N 0 0 466.582 4.272 20 0 JIADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001325416680 1066248496 /nfs/dbraw/zinc/24/84/96/1066248496.db2.gz AMGMHLJZJUBESF-OAQYLSRUSA-N 0 0 450.970 4.236 20 0 JIADRN Cc1nc(CSCC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cs1 ZINC001325423137 1066249063 /nfs/dbraw/zinc/24/90/63/1066249063.db2.gz BGEUDFDXENXWBU-UHFFFAOYSA-N 0 0 468.442 4.325 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001316426984 1066250189 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RLSYSIHBQTXCKG-UHFFFAOYSA-N 0 0 477.571 4.168 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2CCOc2ncccc2F)C1 ZINC001316432382 1066274453 /nfs/dbraw/zinc/27/44/53/1066274453.db2.gz VKMMQIJSKGFRBU-KRWDZBQOSA-N 0 0 475.565 4.331 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccco3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001492499936 1066275252 /nfs/dbraw/zinc/27/52/52/1066275252.db2.gz LBKCBQBZVXKJDT-GOSISDBHSA-N 0 0 452.559 4.277 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@](C)(O)C(C)C)n1 ZINC001492499925 1066275285 /nfs/dbraw/zinc/27/52/85/1066275285.db2.gz XXTNRBNHYIOQTI-QFIPXVFZSA-N 0 0 458.404 4.454 20 0 JIADRN CSCc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001316432715 1066275849 /nfs/dbraw/zinc/27/58/49/1066275849.db2.gz HNHVDTHVXAYSKT-VXKWHMMOSA-N 0 0 485.698 4.215 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)c1ccccc1 ZINC001316432983 1066276633 /nfs/dbraw/zinc/27/66/33/1066276633.db2.gz GKWNEVUJYBALNI-UWJYYQICSA-N 0 0 476.444 4.275 20 0 JIADRN 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O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001337203730 1066465828 /nfs/dbraw/zinc/46/58/28/1066465828.db2.gz KGRHZPJXAZJAGZ-UHFFFAOYSA-N 0 0 456.564 4.105 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCCO3)n2CCCCc2ccccc2)C[C@H](C)O1 ZINC001316502823 1066466133 /nfs/dbraw/zinc/46/61/33/1066466133.db2.gz IWXOXQNFYFTJIH-AOHZBQACSA-N 0 0 455.647 4.088 20 0 JIADRN Cc1cccc2sc(C(=O)O[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c(Cl)c21 ZINC001337206290 1066466920 /nfs/dbraw/zinc/46/69/20/1066466920.db2.gz ZQBHXWSYNLFKER-CYBMUJFWSA-N 0 0 480.995 4.297 20 0 JIADRN COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(-n4cncn4)cc3)c2)cc1 ZINC001337236892 1066467614 /nfs/dbraw/zinc/46/76/14/1066467614.db2.gz QLYKYNGHJYNUSC-UHFFFAOYSA-N 0 0 497.964 4.007 20 0 JIADRN CCOC(=O)[C@H](NC(=O)/C=C\c1ccc(Br)o1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001337242022 1066467777 /nfs/dbraw/zinc/46/77/77/1066467777.db2.gz GZEGOYWHMJXWJH-JQZHBYGZSA-N 0 0 490.329 4.418 20 0 JIADRN O=C(COC(=O)c1ccccc1SCc1cscn1)N1CCN(c2ccc(F)cc2)CC1 ZINC001337253643 1066469421 /nfs/dbraw/zinc/46/94/21/1066469421.db2.gz XYSYYFNHWGDLLO-UHFFFAOYSA-N 0 0 471.579 4.080 20 0 JIADRN O=C(CCc1nc(-c2ccccc2)no1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001337252966 1066469836 /nfs/dbraw/zinc/46/98/36/1066469836.db2.gz BEJFKHGMGGSQFC-NBVRZTHBSA-N 0 0 482.949 4.175 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC=CCO2)C[C@H](C)O1 ZINC001316503866 1066471681 /nfs/dbraw/zinc/47/16/81/1066471681.db2.gz RFGKOYGUCJCNKH-IMSXRSKXSA-N 0 0 467.658 4.133 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCSC(F)(F)F)C[C@H](C)O1 ZINC001316503856 1066471797 /nfs/dbraw/zinc/47/17/97/1066471797.db2.gz QLVAYAOYDJLDRC-CALCHBBNSA-N 0 0 496.603 4.235 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2)C[C@H](C)O1 ZINC001316504117 1066472962 /nfs/dbraw/zinc/47/29/62/1066472962.db2.gz UIEWTNCHROSMAP-CEXWTWQISA-N 0 0 464.079 4.430 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCCCC1 ZINC001316504321 1066474657 /nfs/dbraw/zinc/47/46/57/1066474657.db2.gz DJTIGWGBOJWMLN-KRWDZBQOSA-N 0 0 490.446 4.114 20 0 JIADRN Cc1cc(C(=O)OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c2ccc(F)cc2n1 ZINC001337345351 1066475066 /nfs/dbraw/zinc/47/50/66/1066475066.db2.gz LSECHBVVNSAAGI-DEOSSOPVSA-N 0 0 452.482 4.124 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc(C(C)(C)C)s1 ZINC001316504630 1066475950 /nfs/dbraw/zinc/47/59/50/1066475950.db2.gz ILZHSIUJNMUSTQ-LBPRGKRZSA-N 0 0 494.463 4.237 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Cl)nc2)n1CC[C@@](C)(O)c1ccccc1 ZINC001316504709 1066476319 /nfs/dbraw/zinc/47/63/19/1066476319.db2.gz CZEHHNGLSRYFMN-BXKMTCNYSA-N 0 0 455.990 4.295 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2CCCc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC001316504766 1066476576 /nfs/dbraw/zinc/47/65/76/1066476576.db2.gz PFZAUPLOALGHIV-KDURUIRLSA-N 0 0 474.719 4.089 20 0 JIADRN COc1nn(C)c2nc(C)c(CCC(=O)NC(c3ccc(OC)cc3)c3ccc(OC)cc3)c(C)c12 ZINC001337362074 1066476762 /nfs/dbraw/zinc/47/67/62/1066476762.db2.gz SBUVRPGSKTYOMK-UHFFFAOYSA-N 0 0 488.588 4.449 20 0 JIADRN COC(=O)C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(C)cc1 ZINC001337388563 1066478605 /nfs/dbraw/zinc/47/86/05/1066478605.db2.gz RCRINPYSZSROIN-GOSISDBHSA-N 0 0 465.472 4.276 20 0 JIADRN CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001337406330 1066479624 /nfs/dbraw/zinc/47/96/24/1066479624.db2.gz AELABFPTJZUBES-UHFFFAOYSA-N 0 0 497.555 4.232 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2ccccn2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001316505726 1066480620 /nfs/dbraw/zinc/48/06/20/1066480620.db2.gz WKBHWVMAHUJZHL-KRWDZBQOSA-N 0 0 466.552 4.008 20 0 JIADRN C[C@H]1CN([C@H](CNC(=O)CCc2nc(-c3ccccc3)no2)c2c(F)cccc2Cl)CCO1 ZINC001337413383 1066480490 /nfs/dbraw/zinc/48/04/90/1066480490.db2.gz CFQZSHHXSKBZMU-OXJNMPFZSA-N 0 0 472.948 4.040 20 0 JIADRN CCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(SC(F)(F)F)cc3)CC2)nc1 ZINC001337429816 1066482129 /nfs/dbraw/zinc/48/21/29/1066482129.db2.gz DFJSEGXOHMDCSD-UHFFFAOYSA-N 0 0 454.474 4.224 20 0 JIADRN Clc1ccc(OCc2nnc(N3CCSCC3)n2Cc2cccc(Br)n2)cc1 ZINC001316506639 1066482903 /nfs/dbraw/zinc/48/29/03/1066482903.db2.gz NBCGJSOPTZNUMO-UHFFFAOYSA-N 0 0 480.819 4.270 20 0 JIADRN CCCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC001337435899 1066482683 /nfs/dbraw/zinc/48/26/83/1066482683.db2.gz ZPBYLUBFWSPRSG-UHFFFAOYSA-N 0 0 481.949 4.428 20 0 JIADRN CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c2cccc(F)c2)cc1 ZINC001337445949 1066483872 /nfs/dbraw/zinc/48/38/72/1066483872.db2.gz FRSOAFKRAIFXIU-VWLOTQADSA-N 0 0 461.537 4.351 20 0 JIADRN O=C(NCc1ccc(NC(=O)C2CC2)cc1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001337482259 1066485751 /nfs/dbraw/zinc/48/57/51/1066485751.db2.gz VDFFRTDLBOLECY-OAQYLSRUSA-N 0 0 488.510 4.217 20 0 JIADRN FC(F)(Br)Cn1c(Cc2ccsc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 ZINC001316508129 1066486180 /nfs/dbraw/zinc/48/61/80/1066486180.db2.gz HBPJKVDDJWHYEF-LLVKDONJSA-N 0 0 465.274 4.438 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001316508435 1066487111 /nfs/dbraw/zinc/48/71/11/1066487111.db2.gz PXIQSSOPPGIZPK-INIZCTEOSA-N 0 0 493.599 4.454 20 0 JIADRN COc1ccc(-c2cc(NC(=O)N3CCN(C(=O)c4ccccc4O)CC3)ccc2OC)cc1 ZINC001337502451 1066487250 /nfs/dbraw/zinc/48/72/50/1066487250.db2.gz GGLJRGWXHYJGGT-UHFFFAOYSA-N 0 0 461.518 4.066 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001337503772 1066488123 /nfs/dbraw/zinc/48/81/23/1066488123.db2.gz VOAIXPBWTJIJEL-HSZRJFAPSA-N 0 0 495.649 4.468 20 0 JIADRN CCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1OC ZINC001337504152 1066488247 /nfs/dbraw/zinc/48/82/47/1066488247.db2.gz ZVHSRDRJIJASBV-VWLOTQADSA-N 0 0 460.530 4.308 20 0 JIADRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001337528539 1066490234 /nfs/dbraw/zinc/49/02/34/1066490234.db2.gz ZITCPGCXIYOZTJ-OFNKIYASSA-N 0 0 496.533 4.493 20 0 JIADRN FC(F)(F)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2COCCO2)C1 ZINC001316509267 1066491096 /nfs/dbraw/zinc/49/10/96/1066491096.db2.gz CBLQOKVCHJNTQA-NVXWUHKLSA-N 0 0 489.336 4.292 20 0 JIADRN FC(F)(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001316509637 1066491685 /nfs/dbraw/zinc/49/16/85/1066491685.db2.gz ZKWIINYICVYMTJ-UHFFFAOYSA-N 0 0 485.764 4.237 20 0 JIADRN FC(F)(F)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC2CC2)CCO1 ZINC001316509904 1066492574 /nfs/dbraw/zinc/49/25/74/1066492574.db2.gz IGYQMVMCQONTHI-KRWDZBQOSA-N 0 0 489.336 4.292 20 0 JIADRN FC(F)(F)c1csc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001316510307 1066493221 /nfs/dbraw/zinc/49/32/21/1066493221.db2.gz HSVBPNYJIPOUOI-JTQLQIEISA-N 0 0 463.411 4.037 20 0 JIADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001337573139 1066494709 /nfs/dbraw/zinc/49/47/09/1066494709.db2.gz CMWANWOHZYHBAK-UHFFFAOYSA-N 0 0 499.939 4.102 20 0 JIADRN COc1ccc(Br)cc1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001337581675 1066496226 /nfs/dbraw/zinc/49/62/26/1066496226.db2.gz GYESWAHVPJKDFJ-UHFFFAOYSA-N 0 0 452.106 4.053 20 0 JIADRN FC(F)(F)c1cccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001316511378 1066497029 /nfs/dbraw/zinc/49/70/29/1066497029.db2.gz QSZROSUWHYAHKG-KGLIPLIRSA-N 0 0 479.425 4.054 20 0 JIADRN Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)n1 ZINC001337599916 1066497061 /nfs/dbraw/zinc/49/70/61/1066497061.db2.gz IBFNUSXTPIUQOD-UHFFFAOYSA-N 0 0 457.534 4.029 20 0 JIADRN FC(F)(F)CCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001316511998 1066499032 /nfs/dbraw/zinc/49/90/32/1066499032.db2.gz FGVHKOLKSCWFQT-UHFFFAOYSA-N 0 0 481.910 4.098 20 0 JIADRN FC(F)(F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001316513449 1066502203 /nfs/dbraw/zinc/50/22/03/1066502203.db2.gz SMHCWLSMXCAGFG-UHFFFAOYSA-N 0 0 470.421 4.172 20 0 JIADRN FC(F)(F)CN1CCC(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCOCC2)CC1 ZINC001316513505 1066502235 /nfs/dbraw/zinc/50/22/35/1066502235.db2.gz UWNNZNXKBYBKCJ-UHFFFAOYSA-N 0 0 487.954 4.012 20 0 JIADRN FC(F)(F)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCS2)CC1 ZINC001316513624 1066502816 /nfs/dbraw/zinc/50/28/16/1066502816.db2.gz BBYLDRZUWZSWDE-HXUWFJFHSA-N 0 0 467.605 4.423 20 0 JIADRN C[C@@H](Sc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001337686217 1066502847 /nfs/dbraw/zinc/50/28/47/1066502847.db2.gz KPHYOEVZIZQINI-CYBMUJFWSA-N 0 0 465.984 4.365 20 0 JIADRN FC(F)(F)COc1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001316513825 1066503884 /nfs/dbraw/zinc/50/38/84/1066503884.db2.gz GNUKMQMNVQGNIU-QGZVFWFLSA-N 0 0 487.404 4.097 20 0 JIADRN O=C(COC(=O)c1nn(-c2ccccc2F)cc1Br)Nc1cccc(Cl)c1 ZINC001337707746 1066504598 /nfs/dbraw/zinc/50/45/98/1066504598.db2.gz USMLUNXYEIPONP-UHFFFAOYSA-N 0 0 452.667 4.223 20 0 JIADRN COc1cc(OC)cc([C@H](NC(=O)Nc2cc(Br)ccc2OC)c2nccn2C)c1 ZINC001337724531 1066505117 /nfs/dbraw/zinc/50/51/17/1066505117.db2.gz QVWGOMFTWOTNJN-IBGZPJMESA-N 0 0 475.343 4.120 20 0 JIADRN O=C(COC(=O)C(F)(F)c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001337723519 1066505140 /nfs/dbraw/zinc/50/51/40/1066505140.db2.gz LIZFRJVWYKLBNX-KRWDZBQOSA-N 0 0 451.853 4.110 20 0 JIADRN COc1cc(OC)cc([C@@H](NC(=O)Nc2cc(Br)ccc2OC)c2nccn2C)c1 ZINC001337724534 1066505224 /nfs/dbraw/zinc/50/52/24/1066505224.db2.gz QVWGOMFTWOTNJN-LJQANCHMSA-N 0 0 475.343 4.120 20 0 JIADRN COc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(C)nc3cc(F)ccc32)c(OC)c1 ZINC001337708356 1066505251 /nfs/dbraw/zinc/50/52/51/1066505251.db2.gz YTDIKDXYJMGSGZ-JOCHJYFZSA-N 0 0 452.482 4.220 20 0 JIADRN FC(F)(F)CN1CCCN(c2nnc(CC3CC3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001316514204 1066505432 /nfs/dbraw/zinc/50/54/32/1066505432.db2.gz MJXDHIMCWHQOIJ-UHFFFAOYSA-N 0 0 492.377 4.119 20 0 JIADRN CCC(=O)N1CCc2cc(C(=O)COC(=O)CCOc3cc(Cl)ccc3Cl)ccc21 ZINC001337726451 1066505837 /nfs/dbraw/zinc/50/58/37/1066505837.db2.gz 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/nfs/dbraw/zinc/69/29/19/1066692919.db2.gz PPMVNMWDUBISTJ-VWLOTQADSA-N 0 0 477.561 4.360 20 0 JIADRN O=C(CCOc1cccc(I)c1)N[C@H](c1ccccc1)c1ccccn1 ZINC001347754433 1066693569 /nfs/dbraw/zinc/69/35/69/1066693569.db2.gz OPEVQYFHLQMZIA-OAQYLSRUSA-N 0 0 458.299 4.361 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC001317793911 1066693678 /nfs/dbraw/zinc/69/36/78/1066693678.db2.gz TZVVUDWTRWOUBH-UHFFFAOYSA-N 0 0 476.805 4.414 20 0 JIADRN COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c(OC)c1 ZINC001347761975 1066694388 /nfs/dbraw/zinc/69/43/88/1066694388.db2.gz CPXWUAWGIDKKKO-AWEZNQCLSA-N 0 0 457.939 4.472 20 0 JIADRN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776337 1066697686 /nfs/dbraw/zinc/69/76/86/1066697686.db2.gz KCKRGTWXSPBBKF-DQEYMECFSA-N 0 0 450.966 4.477 20 0 JIADRN COc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1OC ZINC001317801426 1066697846 /nfs/dbraw/zinc/69/78/46/1066697846.db2.gz ZOOPOOZEBTYADM-HXUWFJFHSA-N 0 0 460.530 4.299 20 0 JIADRN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1(c2cccc(Br)c2)CCCC1 ZINC001347777532 1066698330 /nfs/dbraw/zinc/69/83/30/1066698330.db2.gz VIQRXZFKAGOOIM-QFIPXVFZSA-N 0 0 457.412 4.278 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c2ccccc21 ZINC001317805951 1066699393 /nfs/dbraw/zinc/69/93/93/1066699393.db2.gz ZLJIXHMEWNXOQK-GOSISDBHSA-N 0 0 496.361 4.160 20 0 JIADRN CSc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1Br ZINC001347779676 1066699768 /nfs/dbraw/zinc/69/97/68/1066699768.db2.gz WXQFXTAEJXEFQS-GOSISDBHSA-N 0 0 453.377 4.113 20 0 JIADRN CSc1ccc(-c2csc(NC(=O)c3cc(I)nn3C)n2)cc1 ZINC001347787496 1066700291 /nfs/dbraw/zinc/70/02/91/1066700291.db2.gz VCMZENBSBAJVMT-UHFFFAOYSA-N 0 0 456.334 4.122 20 0 JIADRN COc1cc(Br)c(C[S@@](=O)Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC001317808644 1066701443 /nfs/dbraw/zinc/70/14/43/1066701443.db2.gz DXIRLPLRKGLOSN-NDEPHWFRSA-N 0 0 466.397 4.151 20 0 JIADRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(-c3ccccc3)cc2)C1=O ZINC001347809551 1066701649 /nfs/dbraw/zinc/70/16/49/1066701649.db2.gz SIKKRLPXXNZFDS-HHHXNRCGSA-N 0 0 458.514 4.181 20 0 JIADRN C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1nc2ccccc2n1C(F)F ZINC001317810755 1066701823 /nfs/dbraw/zinc/70/18/23/1066701823.db2.gz VGMWOXSVVRPWBP-LLVKDONJSA-N 0 0 461.270 4.266 20 0 JIADRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1sc(-c2ccccc2F)nc1C ZINC001347823292 1066702943 /nfs/dbraw/zinc/70/29/43/1066702943.db2.gz RXIQCKBJRLXTSA-UHFFFAOYSA-N 0 0 454.527 4.317 20 0 JIADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001317813363 1066703209 /nfs/dbraw/zinc/70/32/09/1066703209.db2.gz DPGJCXZWJURWAP-HRAATJIYSA-N 0 0 466.969 4.236 20 0 JIADRN CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)c1cccc(Br)c1 ZINC001317814758 1066704343 /nfs/dbraw/zinc/70/43/43/1066704343.db2.gz RTEPQKXWAZRYTD-UHFFFAOYSA-N 0 0 450.134 4.459 20 0 JIADRN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001317815241 1066705033 /nfs/dbraw/zinc/70/50/33/1066705033.db2.gz KZTMPGYWBUJLMR-JKSUJKDBSA-N 0 0 467.367 4.085 20 0 JIADRN CCS(=O)(=O)Nc1cccc(C(=O)OCc2csc(COc3ccc(Cl)cc3)n2)c1 ZINC001317815760 1066705557 /nfs/dbraw/zinc/70/55/57/1066705557.db2.gz QDHUFNLSSWYZLL-UHFFFAOYSA-N 0 0 466.968 4.494 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c2ccccc21 ZINC001317816663 1066705691 /nfs/dbraw/zinc/70/56/91/1066705691.db2.gz YSYVPQXKIDRUDK-HSZRJFAPSA-N 0 0 478.976 4.390 20 0 JIADRN Cc1c(NC(=O)c2cccc(NC(=O)c3ncoc3C(C)C)c2)c(=O)n(-c2ccccc2)n1C ZINC001347875858 1066706044 /nfs/dbraw/zinc/70/60/44/1066706044.db2.gz UEOJOAJFDXTNFE-UHFFFAOYSA-N 0 0 459.506 4.100 20 0 JIADRN CS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1Br ZINC001347897352 1066706070 /nfs/dbraw/zinc/70/60/70/1066706070.db2.gz AUKIORWVGFGMPL-UHFFFAOYSA-N 0 0 451.367 4.152 20 0 JIADRN Cn1cc2c(n1)CCC[C@H]2C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC001347898596 1066706907 /nfs/dbraw/zinc/70/69/07/1066706907.db2.gz OXWOJHLBUDKEIV-MRXNPFEDSA-N 0 0 454.324 4.460 20 0 JIADRN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1 ZINC001317820079 1066707519 /nfs/dbraw/zinc/70/75/19/1066707519.db2.gz CVQXZTNHZLHMGK-KRWDZBQOSA-N 0 0 493.535 4.064 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001317820446 1066708182 /nfs/dbraw/zinc/70/81/82/1066708182.db2.gz GSZSCWUNHQIZLE-UHFFFAOYSA-N 0 0 489.623 4.016 20 0 JIADRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)ccc1N(C)C(C)C ZINC001347924302 1066708653 /nfs/dbraw/zinc/70/86/53/1066708653.db2.gz KYZOZBOZRZDCRH-UHFFFAOYSA-N 0 0 459.612 4.275 20 0 JIADRN COc1cc(NC(=O)c2cnn3c2nc(C)cc3C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001317821828 1066709428 /nfs/dbraw/zinc/70/94/28/1066709428.db2.gz BYAXFYVVXILOLG-HOTGVXAUSA-N 0 0 465.554 4.019 20 0 JIADRN CNC(=O)Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC001317822084 1066709921 /nfs/dbraw/zinc/70/99/21/1066709921.db2.gz BKMXEDPJEWVDDK-UHFFFAOYSA-N 0 0 475.549 4.093 20 0 JIADRN CC(=O)NCc1ccc(-c2nc(NC(=O)C3=NN(c4cccc(C)c4)C(=O)CC3)sc2C)s1 ZINC001317823644 1066710716 /nfs/dbraw/zinc/71/07/16/1066710716.db2.gz QVTROJKNXARYGI-UHFFFAOYSA-N 0 0 481.603 4.246 20 0 JIADRN CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001347972010 1066711278 /nfs/dbraw/zinc/71/12/78/1066711278.db2.gz LDTHHLFTFJRTKL-NRFANRHFSA-N 0 0 459.587 4.125 20 0 JIADRN CN(c1ccc(OC(=O)Cc2ccc([Si](C)(C)C)cc2)cc1)S(=O)(=O)c1cccs1 ZINC001347974670 1066711415 /nfs/dbraw/zinc/71/14/15/1066711415.db2.gz PSZCXLIEUKGFDB-UHFFFAOYSA-N 0 0 459.665 4.267 20 0 JIADRN COC(=O)C[C@@H](NC(=O)c1csc(Cc2ccc(Cl)cc2)n1)c1ccc(OC)c(OC)c1 ZINC001317827553 1066712489 /nfs/dbraw/zinc/71/24/89/1066712489.db2.gz LBWMJOQOIZWJLE-QGZVFWFLSA-N 0 0 474.966 4.439 20 0 JIADRN CC(C)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C(F)F)n1 ZINC001348025216 1066713316 /nfs/dbraw/zinc/71/33/16/1066713316.db2.gz CWVTWPHQYLCQNX-UHFFFAOYSA-N 0 0 454.543 4.150 20 0 JIADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001317828771 1066714013 /nfs/dbraw/zinc/71/40/13/1066714013.db2.gz USTGCHQDVLFVME-NLFFAJNJSA-N 0 0 492.645 4.302 20 0 JIADRN COc1ccc(-c2cc(NC(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)ccc2OC)cc1 ZINC001317828916 1066714242 /nfs/dbraw/zinc/71/42/42/1066714242.db2.gz IMQQIZJPDANOAH-OYRHEFFESA-N 0 0 494.636 4.025 20 0 JIADRN C[C@H]([C@@H](OC(=O)[C@@H]1CO[C@H](C)C1)c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001348036203 1066714830 /nfs/dbraw/zinc/71/48/30/1066714830.db2.gz NTOGJPTXRNTXBI-KALAIVBUSA-N 0 0 451.972 4.059 20 0 JIADRN CC(C)CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001348035572 1066714845 /nfs/dbraw/zinc/71/48/45/1066714845.db2.gz KTCKKOWEZLTSCX-MEMLXQNLSA-N 0 0 452.599 4.175 20 0 JIADRN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1(n2cc(Br)cn2)CC1 ZINC001348037419 1066715321 /nfs/dbraw/zinc/71/53/21/1066715321.db2.gz UHZBYNWMJSBUBD-UHFFFAOYSA-N 0 0 454.350 4.056 20 0 JIADRN CCC(=O)NC1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 ZINC001348053745 1066716633 /nfs/dbraw/zinc/71/66/33/1066716633.db2.gz ZOPKKQXGKJLFGC-UHFFFAOYSA-N 0 0 462.394 4.041 20 0 JIADRN C[C@@H]1CN(Cc2csc(NC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)n2)C[C@H](C)O1 ZINC001317830968 1066716798 /nfs/dbraw/zinc/71/67/98/1066716798.db2.gz VGQCOCRZBXIIQH-IXDOHACOSA-N 0 0 454.600 4.040 20 0 JIADRN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)C[C@H](C)O1 ZINC001317830980 1066716932 /nfs/dbraw/zinc/71/69/32/1066716932.db2.gz VUJFOEQXNOVKHN-ROUUACIJSA-N 0 0 498.605 4.037 20 0 JIADRN Cc1cccc(NC(=O)NC(=O)COC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1C ZINC001317832365 1066717321 /nfs/dbraw/zinc/71/73/21/1066717321.db2.gz FRIQVRDGVPSNEX-UHFFFAOYSA-N 0 0 483.528 4.420 20 0 JIADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(N2CCCCCC2)nc1 ZINC001348059494 1066717726 /nfs/dbraw/zinc/71/77/26/1066717726.db2.gz SZOQGOBSHNXRRD-UHFFFAOYSA-N 0 0 456.612 4.279 20 0 JIADRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317832686 1066718042 /nfs/dbraw/zinc/71/80/42/1066718042.db2.gz JYLJTHBQBDTLDM-UHFFFAOYSA-N 0 0 488.327 4.162 20 0 JIADRN COC(=O)C[C@H](NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(OC)cc1 ZINC001317834339 1066719114 /nfs/dbraw/zinc/71/91/14/1066719114.db2.gz WBHYUAGJHQFGGE-QFIPXVFZSA-N 0 0 477.517 4.382 20 0 JIADRN C[C@@H](Cc1ccco1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC001348067420 1066719116 /nfs/dbraw/zinc/71/91/16/1066719116.db2.gz VTZCWPJGLYBNKN-IBGZPJMESA-N 0 0 459.612 4.262 20 0 JIADRN O=C(COC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)N(Cc1ccco1)c1ccccc1 ZINC001317833884 1066719250 /nfs/dbraw/zinc/71/92/50/1066719250.db2.gz QZVMGYSBZAOFBA-UHFFFAOYSA-N 0 0 471.469 4.023 20 0 JIADRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(-c2cscn2)c1 ZINC001348116343 1066721718 /nfs/dbraw/zinc/72/17/18/1066721718.db2.gz SERPNBMERNTEAM-UHFFFAOYSA-N 0 0 459.593 4.492 20 0 JIADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001317837960 1066722428 /nfs/dbraw/zinc/72/24/28/1066722428.db2.gz JOTCWTAUNBROJW-GFCCVEGCSA-N 0 0 463.719 4.176 20 0 JIADRN CN(CCOc1ccc(Cl)cc1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC001348123431 1066722625 /nfs/dbraw/zinc/72/26/25/1066722625.db2.gz NLQBKZJZBFKUKO-UHFFFAOYSA-N 0 0 453.951 4.316 20 0 JIADRN COc1ccc(C)cc1N1C[C@@H](C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1=O ZINC001348138630 1066722812 /nfs/dbraw/zinc/72/28/12/1066722812.db2.gz AYHAXDMORJOLQI-KRWDZBQOSA-N 0 0 489.553 4.477 20 0 JIADRN COc1ccc(N(Cc2ccccc2)C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)cc1OC ZINC001317840126 1066723931 /nfs/dbraw/zinc/72/39/31/1066723931.db2.gz MOYMJGDWLIWOEW-IBGZPJMESA-N 0 0 460.530 4.441 20 0 JIADRN C/C=C/COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1 ZINC001348158139 1066724335 /nfs/dbraw/zinc/72/43/35/1066724335.db2.gz DRGJRXZRAHMCAB-NSCUHMNNSA-N 0 0 455.580 4.074 20 0 JIADRN O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC001317842728 1066725322 /nfs/dbraw/zinc/72/53/22/1066725322.db2.gz HYASDKPLSMKVJZ-UHFFFAOYSA-N 0 0 481.468 4.115 20 0 JIADRN COc1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 ZINC001348187214 1066726394 /nfs/dbraw/zinc/72/63/94/1066726394.db2.gz CUYIFGGTJQCBNQ-HNNXBMFYSA-N 0 0 452.523 4.280 20 0 JIADRN CCCCn1c(N)c(N(C)C(=O)C=Cc2cccc(-c3ccc(Cl)cc3)c2)c(=O)[nH]c1=O ZINC001348183421 1066726427 /nfs/dbraw/zinc/72/64/27/1066726427.db2.gz KMENVOQKYFHDDV-JYRVWZFOSA-N 0 0 452.942 4.328 20 0 JIADRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1 ZINC001317843835 1066726738 /nfs/dbraw/zinc/72/67/38/1066726738.db2.gz NBSZXJCYIJZYIM-UHFFFAOYSA-N 0 0 469.501 4.052 20 0 JIADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)C1 ZINC001348194838 1066726955 /nfs/dbraw/zinc/72/69/55/1066726955.db2.gz VNCNNKVQYYIZBU-HNNXBMFYSA-N 0 0 455.407 4.387 20 0 JIADRN Cn1cc([C@H]2[C@H](C(=O)Oc3ccc(Br)cc3Cl)CC(=O)N2C(C)(C)C)cn1 ZINC001348204829 1066727656 /nfs/dbraw/zinc/72/76/56/1066727656.db2.gz HZFNALCNHOEWRS-DYVFJYSZSA-N 0 0 454.752 4.130 20 0 JIADRN O=C(COc1ccc(Cl)c2ccccc12)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317844429 1066727782 /nfs/dbraw/zinc/72/77/82/1066727782.db2.gz YBYBRRMXGNOQCB-UHFFFAOYSA-N 0 0 450.844 4.437 20 0 JIADRN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001317845142 1066727794 /nfs/dbraw/zinc/72/77/94/1066727794.db2.gz AQSIEVNJBSNAEB-INIZCTEOSA-N 0 0 462.579 4.421 20 0 JIADRN COc1ccc(C(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c2ccc(OC)cc2)cc1 ZINC001317844664 1066727860 /nfs/dbraw/zinc/72/78/60/1066727860.db2.gz ZPMKPUCXOUCQSB-UHFFFAOYSA-N 0 0 475.545 4.087 20 0 JIADRN COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317846642 1066728807 /nfs/dbraw/zinc/72/88/07/1066728807.db2.gz RBBKWEDEPBBRQS-QGZVFWFLSA-N 0 0 470.529 4.168 20 0 JIADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC001348240975 1066729493 /nfs/dbraw/zinc/72/94/93/1066729493.db2.gz CWYLQLBUVOIXGM-FKIZINRSSA-N 0 0 462.333 4.092 20 0 JIADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(C(N)=O)c3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001317847387 1066729986 /nfs/dbraw/zinc/72/99/86/1066729986.db2.gz HHRZGSZDGULOAC-BVAGGSTKSA-N 0 0 487.556 4.234 20 0 JIADRN CCOC(=O)c1sc(N(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c2ccccc2)nc1C ZINC001317848634 1066730472 /nfs/dbraw/zinc/73/04/72/1066730472.db2.gz IIDBSCOXBNUBIT-UHFFFAOYSA-N 0 0 499.633 4.492 20 0 JIADRN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C(N)=O)cc2)c2c[nH]c3ccccc32)cc1 ZINC001317848621 1066730630 /nfs/dbraw/zinc/73/06/30/1066730630.db2.gz IEUUVYMSQCOIOJ-XMMPIXPASA-N 0 0 469.589 4.306 20 0 JIADRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)cc1 ZINC001348258708 1066731097 /nfs/dbraw/zinc/73/10/97/1066731097.db2.gz KVSDVQUUCRPPMA-ZDUSSCGKSA-N 0 0 452.985 4.049 20 0 JIADRN COc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3cc(F)c(Cl)cc3Cl)CC2=O)c(OC)c1 ZINC001348270491 1066732369 /nfs/dbraw/zinc/73/23/69/1066732369.db2.gz IAVCSERNRKITHH-NEPJUHHUSA-N 0 0 455.313 4.380 20 0 JIADRN CN(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccc(Cl)c1 ZINC001348283076 1066733484 /nfs/dbraw/zinc/73/34/84/1066733484.db2.gz PDZSMMNZHJVENE-JOCHJYFZSA-N 0 0 457.983 4.407 20 0 JIADRN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)n(C)n2)ccc1Cl ZINC001348282854 1066733585 /nfs/dbraw/zinc/73/35/85/1066733585.db2.gz NHDUQMUGAPNVCO-UHFFFAOYSA-N 0 0 458.971 4.418 20 0 JIADRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001317857902 1066736414 /nfs/dbraw/zinc/73/64/14/1066736414.db2.gz FBKPSDNETRFOKD-MRXNPFEDSA-N 0 0 485.993 4.304 20 0 JIADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(-c4ccc(C)nn4)cc3)C2=O)cc1 ZINC001348346454 1066737500 /nfs/dbraw/zinc/73/75/00/1066737500.db2.gz KFSVHNYINZFXFH-JCMHNJIXSA-N 0 0 458.543 4.227 20 0 JIADRN CS(=O)(=O)Nc1ccccc1CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001317859426 1066738794 /nfs/dbraw/zinc/73/87/94/1066738794.db2.gz LWLWGKPTKKBVFW-NRFANRHFSA-N 0 0 489.391 4.257 20 0 JIADRN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317862320 1066739739 /nfs/dbraw/zinc/73/97/39/1066739739.db2.gz CQOZCZMDALRHRS-UHFFFAOYSA-N 0 0 450.502 4.219 20 0 JIADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@H](CC(F)(F)F)C3)c2)c1 ZINC001348371631 1066740085 /nfs/dbraw/zinc/74/00/85/1066740085.db2.gz OJXRLXMVCAZFFT-LJQANCHMSA-N 0 0 479.455 4.301 20 0 JIADRN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCCC1(C)C ZINC001348381542 1066741008 /nfs/dbraw/zinc/74/10/08/1066741008.db2.gz UFSDXZVZIFAATA-LJQANCHMSA-N 0 0 451.633 4.074 20 0 JIADRN CC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001348390473 1066741972 /nfs/dbraw/zinc/74/19/72/1066741972.db2.gz UREZIAVRTAFAOR-XMSQKQJNSA-N 0 0 459.949 4.442 20 0 JIADRN O=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001317867301 1066742468 /nfs/dbraw/zinc/74/24/68/1066742468.db2.gz QAVDNWMWEXNXDV-QFIPXVFZSA-N 0 0 482.458 4.319 20 0 JIADRN CCOC(=O)CSc1nnc(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)s1 ZINC001348398014 1066742462 /nfs/dbraw/zinc/74/24/62/1066742462.db2.gz BQGLNYGKOCOQIT-UHFFFAOYSA-N 0 0 458.403 4.181 20 0 JIADRN O=C(CCC(F)F)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC001348400154 1066742673 /nfs/dbraw/zinc/74/26/73/1066742673.db2.gz VWBGOUXDICGKPT-UHFFFAOYSA-N 0 0 458.449 4.176 20 0 JIADRN Cc1ccc(NC(=O)CSc2nnc(NC(=O)C(F)(F)c3nccs3)s2)c(C)c1 ZINC001348399157 1066742686 /nfs/dbraw/zinc/74/26/86/1066742686.db2.gz NWTFKLFWUUYCEB-UHFFFAOYSA-N 0 0 455.537 4.073 20 0 JIADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1sc(-c2ccn(C)n2)nc1C ZINC001348420325 1066743125 /nfs/dbraw/zinc/74/31/25/1066743125.db2.gz XTFDUXDBUJELCA-UHFFFAOYSA-N 0 0 454.474 4.077 20 0 JIADRN CCCCCNC(=O)C1CCN(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)CC1 ZINC001317868438 1066744095 /nfs/dbraw/zinc/74/40/95/1066744095.db2.gz RSHCONLDKKTVFL-QHCPKHFHSA-N 0 0 451.615 4.037 20 0 JIADRN O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317868447 1066744189 /nfs/dbraw/zinc/74/41/89/1066744189.db2.gz SATYIONEONZVDP-FCHUYYIVSA-N 0 0 451.590 4.269 20 0 JIADRN CCN(CCNC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001348431053 1066744474 /nfs/dbraw/zinc/74/44/74/1066744474.db2.gz PBAOHVZVNKTJGZ-HSZRJFAPSA-N 0 0 453.583 4.308 20 0 JIADRN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001348440004 1066744645 /nfs/dbraw/zinc/74/46/45/1066744645.db2.gz WBIXJJWOOZITJH-IBGZPJMESA-N 0 0 456.587 4.405 20 0 JIADRN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001317869922 1066744653 /nfs/dbraw/zinc/74/46/53/1066744653.db2.gz KBQNYWBOMVCXHV-ZDUSSCGKSA-N 0 0 481.774 4.016 20 0 JIADRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c(Br)c1 ZINC001348450065 1066745655 /nfs/dbraw/zinc/74/56/55/1066745655.db2.gz MGIPXSKRLLMQNM-UHFFFAOYSA-N 0 0 455.349 4.405 20 0 JIADRN COC(=O)C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc(C)cc1 ZINC001317871877 1066746335 /nfs/dbraw/zinc/74/63/35/1066746335.db2.gz QTTWVXXPWSOPDD-GOSISDBHSA-N 0 0 476.371 4.020 20 0 JIADRN Cc1cc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2ccccc12 ZINC001317873798 1066747241 /nfs/dbraw/zinc/74/72/41/1066747241.db2.gz WBPRHGLINOZWRM-UHFFFAOYSA-N 0 0 471.561 4.129 20 0 JIADRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC001317874496 1066747718 /nfs/dbraw/zinc/74/77/18/1066747718.db2.gz WDHZJJFVCNQCQY-UHFFFAOYSA-N 0 0 497.558 4.080 20 0 JIADRN Cc1ccc(C(=O)Nc2nnc3ccc(Cl)nn32)cc1NC(=O)c1ccc(Br)cc1 ZINC001317875730 1066748336 /nfs/dbraw/zinc/74/83/36/1066748336.db2.gz XMXBRPLRFSLLCQ-UHFFFAOYSA-N 0 0 485.729 4.353 20 0 JIADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(C(=O)NC)cc2C)CC1 ZINC001317876962 1066749053 /nfs/dbraw/zinc/74/90/53/1066749053.db2.gz BZQDXTNRMREWAA-QFIPXVFZSA-N 0 0 451.567 4.336 20 0 JIADRN C/C(=C\C(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O)c1cnccn1 ZINC001348496529 1066750293 /nfs/dbraw/zinc/75/02/93/1066750293.db2.gz BMHAPSFPIPXDJE-SDEVTQOVSA-N 0 0 450.564 4.030 20 0 JIADRN O=C(Nc1nnc2ccc(Cl)nn21)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001317882535 1066751536 /nfs/dbraw/zinc/75/15/36/1066751536.db2.gz LWGJVBDTTKLTME-KRWDZBQOSA-N 0 0 458.703 4.299 20 0 JIADRN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1F ZINC001348519074 1066752289 /nfs/dbraw/zinc/75/22/89/1066752289.db2.gz LDAZJZHTORZVEH-MGPUTAFESA-N 0 0 450.869 4.342 20 0 JIADRN CCS(=O)(=O)c1ccc(NC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC001317883493 1066752694 /nfs/dbraw/zinc/75/26/94/1066752694.db2.gz NMJKUNPFDMHOBE-UHFFFAOYSA-N 0 0 454.548 4.409 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC(C)(F)F)c1 ZINC001492545686 1066755709 /nfs/dbraw/zinc/75/57/09/1066755709.db2.gz NQBJTEREMBOACY-GOSISDBHSA-N 0 0 463.573 4.342 20 0 JIADRN CNC(=O)c1cncc(/C=C\C(=O)N(Cc2ccccc2)c2nc3ccc(OC)cc3s2)c1 ZINC001348556888 1066756993 /nfs/dbraw/zinc/75/69/93/1066756993.db2.gz OTQGXGYERALKKO-FLIBITNWSA-N 0 0 458.543 4.306 20 0 JIADRN C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001317887335 1066757126 /nfs/dbraw/zinc/75/71/26/1066757126.db2.gz JINCHGDYTIAAJZ-CRAIPNDOSA-N 0 0 486.977 4.231 20 0 JIADRN CC(C)[C@H](OC(=O)CCS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC001317887808 1066757769 /nfs/dbraw/zinc/75/77/69/1066757769.db2.gz TYUFCZYIJCIFEH-IBGZPJMESA-N 0 0 457.470 4.076 20 0 JIADRN C[C@H](NC(=O)c1cccnc1-n1cc(Br)cn1)c1ccc(Br)cc1 ZINC001348579601 1066758099 /nfs/dbraw/zinc/75/80/99/1066758099.db2.gz RCSDPMPUDHKVIS-NSHDSACASA-N 0 0 450.134 4.283 20 0 JIADRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)n(-c2cccc(C)c2)n1 ZINC001317890284 1066759943 /nfs/dbraw/zinc/75/99/43/1066759943.db2.gz CEDRIKBBHGRGSX-LJQANCHMSA-N 0 0 452.580 4.305 20 0 JIADRN CC[C@@H](Sc1nc(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cs1)C(N)=O ZINC001348600909 1066760167 /nfs/dbraw/zinc/76/01/67/1066760167.db2.gz AJLTZMVEAVLPGC-CQSZACIVSA-N 0 0 454.549 4.082 20 0 JIADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(F)c(SC)c1 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ZINC001354868874 1067222827 /nfs/dbraw/zinc/22/28/27/1067222827.db2.gz XNEGTTVZLZFPGC-UHFFFAOYSA-N 0 0 455.234 4.238 20 0 JIADRN Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)s1 ZINC001321889182 1067223019 /nfs/dbraw/zinc/22/30/19/1067223019.db2.gz UPDWBZOYIJAFST-UHFFFAOYSA-N 0 0 459.930 4.148 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC001351854792 1067224355 /nfs/dbraw/zinc/22/43/55/1067224355.db2.gz IPJRRZBMFUVRKK-UHFFFAOYSA-N 0 0 458.971 4.388 20 0 JIADRN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001351855279 1067224387 /nfs/dbraw/zinc/22/43/87/1067224387.db2.gz ZMIUPWCJUMCHPV-GASCZTMLSA-N 0 0 459.978 4.202 20 0 JIADRN COc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)nc1Br ZINC001351859176 1067225810 /nfs/dbraw/zinc/22/58/10/1067225810.db2.gz LQSCURWJMODRTM-UHFFFAOYSA-N 0 0 455.334 4.388 20 0 JIADRN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(OCC(F)(F)F)c3)cc2)CC1 ZINC001351858131 1067225841 /nfs/dbraw/zinc/22/58/41/1067225841.db2.gz CTMATUVBLUJSIY-UHFFFAOYSA-N 0 0 456.486 4.301 20 0 JIADRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C(F)(F)F ZINC001351861497 1067226474 /nfs/dbraw/zinc/22/64/74/1067226474.db2.gz WAHFLOXCQAGRPC-GASCZTMLSA-N 0 0 456.486 4.064 20 0 JIADRN O=C(NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001351860367 1067226815 /nfs/dbraw/zinc/22/68/15/1067226815.db2.gz CVJAETUVDIBGJT-CYBMUJFWSA-N 0 0 456.167 4.468 20 0 JIADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCc2cc(Cl)cc(Cl)c2)cc1 ZINC001351862670 1067227428 /nfs/dbraw/zinc/22/74/28/1067227428.db2.gz LEUDQCQKMNXCNE-LJQANCHMSA-N 0 0 453.391 4.266 20 0 JIADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc2)C1 ZINC001321931252 1067228821 /nfs/dbraw/zinc/22/88/21/1067228821.db2.gz HXOKTMBKWBHVGF-QHCPKHFHSA-N 0 0 479.584 4.171 20 0 JIADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(COCCOc4ccccc4)c3)cc2)C1 ZINC001321931716 1067228884 /nfs/dbraw/zinc/22/88/84/1067228884.db2.gz HZJONKMTTISZSW-QHCPKHFHSA-N 0 0 473.573 4.236 20 0 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ZOVMFYVVLADITD-UHFFFAOYSA-N 0 0 450.514 4.001 20 0 JIADRN Cc1cc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)n(-c2ccc(C)cc2)n1 ZINC001321983671 1067236872 /nfs/dbraw/zinc/23/68/72/1067236872.db2.gz JMOZPXCFRAMHSF-GBXCKJPGSA-N 0 0 450.539 4.158 20 0 JIADRN COc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(C)c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001321983720 1067236927 /nfs/dbraw/zinc/23/69/27/1067236927.db2.gz NRFSVPCWOWGMNT-RTBURBONSA-N 0 0 496.633 4.417 20 0 JIADRN Cc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n(-c2cccc(C)c2)n1 ZINC001321984441 1067237058 /nfs/dbraw/zinc/23/70/58/1067237058.db2.gz UBLJKCCTPALQAU-UHFFFAOYSA-N 0 0 466.607 4.235 20 0 JIADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCCOc1ccc(Br)cc1 ZINC001351902515 1067237391 /nfs/dbraw/zinc/23/73/91/1067237391.db2.gz NVHRCZOZHRFATI-MRXNPFEDSA-N 0 0 459.793 4.114 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)NCCOc2ccc(Br)cc2)C1 ZINC001351902539 1067237459 /nfs/dbraw/zinc/23/74/59/1067237459.db2.gz PGZKNRPCKFOJPR-INIZCTEOSA-N 0 0 455.393 4.371 20 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459.124 4.191 20 0 JIADRN COc1cccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccc(NC(C)=O)cc4)cc3)CC2)c1 ZINC001322079120 1067247513 /nfs/dbraw/zinc/24/75/13/1067247513.db2.gz AZFQUUYZYKONSS-UHFFFAOYSA-N 0 0 479.602 4.268 20 0 JIADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001322090957 1067248890 /nfs/dbraw/zinc/24/88/90/1067248890.db2.gz ZMTMUMVZBVWXFF-AUSIDOKSSA-N 0 0 468.001 4.179 20 0 JIADRN CCCOc1ccc(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC001351936714 1067248923 /nfs/dbraw/zinc/24/89/23/1067248923.db2.gz INZFNIMEPGZDFA-UHFFFAOYSA-N 0 0 450.988 4.485 20 0 JIADRN CC[C@H](C(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCC2)N1CCCC1=O ZINC001351937334 1067249055 /nfs/dbraw/zinc/24/90/55/1067249055.db2.gz XAEJHTNYRWGIIX-GOSISDBHSA-N 0 0 455.580 4.227 20 0 JIADRN CSc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC001351937267 1067249211 /nfs/dbraw/zinc/24/92/11/1067249211.db2.gz SSCBISKFYXTAHH-CQSZACIVSA-N 0 0 455.001 4.252 20 0 JIADRN 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/nfs/dbraw/zinc/43/06/99/1067430699.db2.gz LDLYOVGAGFCQMR-IIBYNOLFSA-N 0 0 452.929 4.355 20 0 JIADRN COc1cc(CNC(=O)c2cc(C)ccc2SC2CCCC2)ccc1OCC(=O)N(C)C ZINC001355353421 1067430971 /nfs/dbraw/zinc/43/09/71/1067430971.db2.gz LMFKNTBMBDGQBB-UHFFFAOYSA-N 0 0 456.608 4.435 20 0 JIADRN CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1(C)C ZINC001355355870 1067433719 /nfs/dbraw/zinc/43/37/19/1067433719.db2.gz DWZVVRMYFPPRNS-DHIUTWEWSA-N 0 0 456.608 4.152 20 0 JIADRN COc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 ZINC001300033900 1067434493 /nfs/dbraw/zinc/43/44/93/1067434493.db2.gz NTSFSSZUAYCQFJ-ICPLQIHGSA-N 0 0 482.547 4.035 20 0 JIADRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc2ccc(C)nc21 ZINC001355364761 1067434565 /nfs/dbraw/zinc/43/45/65/1067434565.db2.gz NDZVECPGXYNNFW-UHFFFAOYSA-N 0 0 453.564 4.369 20 0 JIADRN C[C@@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)c1ccc(NC(=O)NC2CC2)cc1 ZINC001355366177 1067435126 /nfs/dbraw/zinc/43/51/26/1067435126.db2.gz CCJIQRLWHWVIJK-GFCCVEGCSA-N 0 0 459.337 4.349 20 0 JIADRN C[C@H](C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccn1 ZINC001352482855 1067435556 /nfs/dbraw/zinc/43/55/56/1067435556.db2.gz QKNHJLWRZBYLFF-MRXNPFEDSA-N 0 0 459.413 4.280 20 0 JIADRN CCCc1c(C(=O)Nc2ncn(Cc3ccccc3)n2)cnn1-c1cc(F)c(OC)cc1F ZINC001355369727 1067436045 /nfs/dbraw/zinc/43/60/45/1067436045.db2.gz IZPSKUNCABMKPV-UHFFFAOYSA-N 0 0 452.465 4.004 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2OCC[C@H]2C)cc1OC ZINC001300034604 1067438079 /nfs/dbraw/zinc/43/80/79/1067438079.db2.gz SBKHUJJXVKMMKK-AUUYWEPGSA-N 0 0 454.493 4.166 20 0 JIADRN CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)nc1-c1ccccc1 ZINC001352486672 1067438776 /nfs/dbraw/zinc/43/87/76/1067438776.db2.gz PBPCGCHLJZFMAF-QGZVFWFLSA-N 0 0 458.584 4.003 20 0 JIADRN CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2OCCOC)nc1-c1ccccc1 ZINC001352487172 1067439134 /nfs/dbraw/zinc/43/91/34/1067439134.db2.gz QTNDJFIPYNBLJN-UHFFFAOYSA-N 0 0 456.520 4.273 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCn2ccnn2)cc1Br ZINC001300035127 1067440371 /nfs/dbraw/zinc/44/03/71/1067440371.db2.gz YTZJWVRESZSTPG-QGZVFWFLSA-N 0 0 488.434 4.270 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@](C)(O)c2ccco2)cc1OC ZINC001300035114 1067440551 /nfs/dbraw/zinc/44/05/51/1067440551.db2.gz YMDPSQHYGQSGIV-QFIPXVFZSA-N 0 0 480.487 4.242 20 0 JIADRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1nc(N(C)C)ncc1Br ZINC001355384090 1067442765 /nfs/dbraw/zinc/44/27/65/1067442765.db2.gz ZZCRTZSPFUANED-UHFFFAOYSA-N 0 0 454.328 4.118 20 0 JIADRN COC(=O)[C@@H](C)[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)c1ccccc1 ZINC001355385426 1067443424 /nfs/dbraw/zinc/44/34/24/1067443424.db2.gz AYXZXJCUFVSGSA-QKKBWIMNSA-N 0 0 455.917 4.434 20 0 JIADRN CCCCCNC(=S)N1CCCn2cnc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c2C1 ZINC001200052471 1067443602 /nfs/dbraw/zinc/44/36/02/1067443602.db2.gz RIHXVJSVYINJGO-UHFFFAOYSA-N 0 0 479.691 4.070 20 0 JIADRN Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC001352494824 1067443830 /nfs/dbraw/zinc/44/38/30/1067443830.db2.gz PWALSZIXYKEIRJ-UHFFFAOYSA-N 0 0 456.486 4.409 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC001355386510 1067444407 /nfs/dbraw/zinc/44/44/07/1067444407.db2.gz GJVHJSYKRCBKBW-RBUKOAKNSA-N 0 0 450.004 4.179 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](C)C3)n2CCCc2c[nH]nc2C)cc1Br ZINC001300036430 1067445083 /nfs/dbraw/zinc/44/50/83/1067445083.db2.gz QREWSZIDOSUIHR-AWEZNQCLSA-N 0 0 459.392 4.227 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCOC[C@H]2CCOC2)cc1Br ZINC001300036897 1067445904 /nfs/dbraw/zinc/44/59/04/1067445904.db2.gz URFMIFGJLPBLPV-OKZBNKHCSA-N 0 0 493.446 4.394 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2CCS(=O)(=O)C(C)(C)C)c(OC)c1 ZINC001300036709 1067446053 /nfs/dbraw/zinc/44/60/53/1067446053.db2.gz SNJMTVQZAZKFQX-GOSISDBHSA-N 0 0 490.670 4.192 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](C)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(OC)c1 ZINC001300036699 1067446299 /nfs/dbraw/zinc/44/62/99/1067446299.db2.gz SKCVGCDZYVXXIT-FXAWDEMLSA-N 0 0 473.618 4.358 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](C)C4(CCC4)C3)n2CCCNC(=O)C(C)C)c(OC)c1 ZINC001300036924 1067446842 /nfs/dbraw/zinc/44/68/42/1067446842.db2.gz VIBBIZRFUSQAGI-IBGZPJMESA-N 0 0 469.630 4.141 20 0 JIADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001355397848 1067448268 /nfs/dbraw/zinc/44/82/68/1067448268.db2.gz MZNHSZKNEOMALJ-WBVHZDCISA-N 0 0 456.530 4.402 20 0 JIADRN COc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OCCC(C)C ZINC001355400545 1067449330 /nfs/dbraw/zinc/44/93/30/1067449330.db2.gz PPIVVJZIYFBHCI-JOCHJYFZSA-N 0 0 450.579 4.278 20 0 JIADRN CC[C@H](CNC(=O)Cc1sc(-c2ccn(C)n2)nc1C)Oc1cccc(C(F)(F)F)c1 ZINC001355402744 1067450027 /nfs/dbraw/zinc/45/00/27/1067450027.db2.gz NYTAFEOAXWBGFZ-OAHLLOKOSA-N 0 0 452.502 4.387 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCOC(C)C)cc1Br ZINC001300038053 1067450044 /nfs/dbraw/zinc/45/00/44/1067450044.db2.gz KJSVNWKYLCDUDO-LJQANCHMSA-N 0 0 493.446 4.394 20 0 JIADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC001355405694 1067451930 /nfs/dbraw/zinc/45/19/30/1067451930.db2.gz PCBUMMIODLPMPP-RTWAWAEBSA-N 0 0 454.502 4.200 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(c4cnn(C)c4)CC3)n2C[C@@H](OC)C(C)(C)C)cc1OC ZINC001300038731 1067452319 /nfs/dbraw/zinc/45/23/19/1067452319.db2.gz RHOFTPADPXDPDK-HSZRJFAPSA-N 0 0 482.629 4.141 20 0 JIADRN O=C(Nc1ccc(CN2CCOC2=O)cc1)c1ccc(Br)cc1Br ZINC001355408154 1067453499 /nfs/dbraw/zinc/45/34/99/1067453499.db2.gz KPODXKAZWRUEMQ-UHFFFAOYSA-N 0 0 454.118 4.416 20 0 JIADRN COCCNC(=O)C1CCN(C(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001352505752 1067453241 /nfs/dbraw/zinc/45/32/41/1067453241.db2.gz FFAFUCUVWUAGNH-HKNLLREHSA-N 0 0 453.410 4.193 20 0 JIADRN CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001352507101 1067454354 /nfs/dbraw/zinc/45/43/54/1067454354.db2.gz XHLDIIPVFVMGPP-VQTJNVASSA-N 0 0 458.530 4.123 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2CC(=O)NC(C)C)cc1Br ZINC001300039248 1067455149 /nfs/dbraw/zinc/45/51/49/1067455149.db2.gz VAPZSBFYHQGZBS-MRXNPFEDSA-N 0 0 478.435 4.113 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1OC ZINC001300039719 1067456354 /nfs/dbraw/zinc/45/63/54/1067456354.db2.gz XLCSUSROGNXZSQ-GOSISDBHSA-N 0 0 478.659 4.048 20 0 JIADRN C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC001355412876 1067456521 /nfs/dbraw/zinc/45/65/21/1067456521.db2.gz OWRZWOXOFBAZFM-OLZOCXBDSA-N 0 0 459.365 4.351 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2Cc2ccnc(SC)c2)cc1OC ZINC001300040204 1067460070 /nfs/dbraw/zinc/46/00/70/1067460070.db2.gz IGPFIDMNMSQTFN-UHFFFAOYSA-N 0 0 483.638 4.116 20 0 JIADRN COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(F)cc4)s3)C2=O)c1 ZINC001355425290 1067461192 /nfs/dbraw/zinc/46/11/92/1067461192.db2.gz VZNSVKFOMUXLNI-FQEVSTJZSA-N 0 0 454.523 4.449 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCCCSC)cc1 ZINC001300040757 1067463900 /nfs/dbraw/zinc/46/39/00/1067463900.db2.gz BNOQKHZSSVPOSM-GOSISDBHSA-N 0 0 475.659 4.448 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CC(C)(C)O)cc1Br ZINC001300040760 1067464554 /nfs/dbraw/zinc/46/45/54/1067464554.db2.gz BQMRLZLDGFGVHA-UHFFFAOYSA-N 0 0 476.202 4.386 20 0 JIADRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000847342331 1067466750 /nfs/dbraw/zinc/46/67/50/1067466750.db2.gz HOLPDUWXBMOQEK-NTCAYCPXSA-N 0 0 488.544 4.454 20 0 JIADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC001355438947 1067466926 /nfs/dbraw/zinc/46/69/26/1067466926.db2.gz JKIKPTJIWJFACI-FUHWJXTLSA-N 0 0 450.457 4.301 20 0 JIADRN NS(=O)(=O)c1ccc(C2CCN(C(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)cc1 ZINC001200058327 1067467967 /nfs/dbraw/zinc/46/79/67/1067467967.db2.gz BILDHQVVVAZFGQ-UHFFFAOYSA-N 0 0 458.971 4.190 20 0 JIADRN Cc1c(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cnn1-c1cccc(Br)c1 ZINC001355449383 1067470189 /nfs/dbraw/zinc/47/01/89/1067470189.db2.gz BEHYXEHCCSFRIA-UHFFFAOYSA-N 0 0 453.340 4.318 20 0 JIADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)cc1Cc1ccccc1 ZINC001352519545 1067470065 /nfs/dbraw/zinc/47/00/65/1067470065.db2.gz CEZCGBNMLRJBHU-OAQYLSRUSA-N 0 0 457.530 4.236 20 0 JIADRN CC[C@@H](CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccc(OC)cc1 ZINC001352520672 1067472145 /nfs/dbraw/zinc/47/21/45/1067472145.db2.gz KXTGRWITTKMWHY-IBGZPJMESA-N 0 0 456.608 4.343 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCCC(F)(F)C2)c(OC)c1 ZINC001300041695 1067474115 /nfs/dbraw/zinc/47/41/15/1067474115.db2.gz VGLZQKZFRIPDDP-SFHVURJKSA-N 0 0 464.557 4.387 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492556005 1067475615 /nfs/dbraw/zinc/47/56/15/1067475615.db2.gz AGAKOGDAOUJRRN-WOJBJXKFSA-N 0 0 498.697 4.232 20 0 JIADRN CCC[C@H](NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)C(=O)N1CCc2sccc2C1 ZINC001352524003 1067478890 /nfs/dbraw/zinc/47/88/90/1067478890.db2.gz AVBPOAGHYXFIBZ-LNENJAERSA-N 0 0 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O=C(NCCOc1ccc(Br)cc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001358264118 1068054507 /nfs/dbraw/zinc/05/45/07/1068054507.db2.gz GSBWEHYQOLFBGZ-UHFFFAOYSA-N 0 0 454.246 4.462 20 0 JIADRN COc1ccc(NC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1Br ZINC001200315174 1068054966 /nfs/dbraw/zinc/05/49/66/1068054966.db2.gz RZWLDPYOIBGMKH-OAHLLOKOSA-N 0 0 451.296 4.025 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 ZINC001300273612 1068055753 /nfs/dbraw/zinc/05/57/53/1068055753.db2.gz VDSJPPZURLVMRR-FQEVSTJZSA-N 0 0 483.657 4.387 20 0 JIADRN COC(=O)c1cc(-c2csc(NC(=O)Cc3c[nH]c4cc(Br)ccc34)n2)c[nH]1 ZINC001353354242 1068056286 /nfs/dbraw/zinc/05/62/86/1068056286.db2.gz QQMZPKRQARQLBG-UHFFFAOYSA-N 0 0 459.325 4.350 20 0 JIADRN C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccc2c(c1)CC(=O)N2C ZINC001358273615 1068057129 /nfs/dbraw/zinc/05/71/29/1068057129.db2.gz GDWVWBTVVJSICK-SNVBAGLBSA-N 0 0 452.146 4.222 20 0 JIADRN CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 ZINC001353356192 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452.504 4.151 20 0 JIADRN C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001358285941 1068060275 /nfs/dbraw/zinc/06/02/75/1068060275.db2.gz DRXILGVGIWGUPJ-JSGCOSHPSA-N 0 0 453.739 4.342 20 0 JIADRN Cc1occc1C(=O)NC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC001358287670 1068060535 /nfs/dbraw/zinc/06/05/35/1068060535.db2.gz BICPTOBGQOAQLL-UHFFFAOYSA-N 0 0 459.262 4.404 20 0 JIADRN CN1C(=O)C[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H]1c1cccc(F)c1 ZINC001358290751 1068061523 /nfs/dbraw/zinc/06/15/23/1068061523.db2.gz JAWCHHCUJLWNEP-JTHBVZDNSA-N 0 0 450.441 4.342 20 0 JIADRN O=C(Nc1ccc(OC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC001358291339 1068061618 /nfs/dbraw/zinc/06/16/18/1068061618.db2.gz QXYWYAFFBIVFKP-QHCPKHFHSA-N 0 0 452.457 4.196 20 0 JIADRN Cn1cnc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccc(Br)cn4)c3)c21 ZINC001358292221 1068061755 /nfs/dbraw/zinc/06/17/55/1068061755.db2.gz KLOXUAICQMJIDT-UHFFFAOYSA-N 0 0 450.296 4.235 20 0 JIADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001358293310 1068062017 /nfs/dbraw/zinc/06/20/17/1068062017.db2.gz XAEAOHLJDGAPLR-SFHVURJKSA-N 0 0 450.485 4.384 20 0 JIADRN CCS(=O)(=O)C[C@@H](C)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 ZINC001353364162 1068062540 /nfs/dbraw/zinc/06/25/40/1068062540.db2.gz KPQMEJFMCQLRBV-UWCCDQBKSA-N 0 0 458.605 4.175 20 0 JIADRN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC001358308292 1068064323 /nfs/dbraw/zinc/06/43/23/1068064323.db2.gz FKQHXKYGCBKJLB-ZUOKHONESA-N 0 0 459.511 4.191 20 0 JIADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC001358313825 1068064630 /nfs/dbraw/zinc/06/46/30/1068064630.db2.gz KRBWYXLSTMZPOH-OAQYLSRUSA-N 0 0 457.983 4.331 20 0 JIADRN NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)[nH]c3=O)cc2)CC1 ZINC001358314571 1068065225 /nfs/dbraw/zinc/06/52/25/1068065225.db2.gz PIYDMIRQHBGBGE-UHFFFAOYSA-N 0 0 450.926 4.062 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](C)C3)n2CCOc2cccc(C(F)(F)F)n2)cc1 ZINC001300278833 1068065991 /nfs/dbraw/zinc/06/59/91/1068065991.db2.gz UIYHVJABXGWACR-INIZCTEOSA-N 0 0 477.487 4.205 20 0 JIADRN COc1ccc(Cl)c(N2CCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)c1 ZINC001200319992 1068066341 /nfs/dbraw/zinc/06/63/41/1068066341.db2.gz AIZUKNVCLZLOHZ-UHFFFAOYSA-N 0 0 457.987 4.453 20 0 JIADRN CCCc1c(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)cnn1-c1cccc(F)c1 ZINC001358324191 1068066394 /nfs/dbraw/zinc/06/63/94/1068066394.db2.gz HFBQUMSFBNQAIB-UHFFFAOYSA-N 0 0 454.571 4.368 20 0 JIADRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cccc(F)c1I ZINC001358323571 1068066466 /nfs/dbraw/zinc/06/64/66/1068066466.db2.gz AVMWZCDFEUACCO-UHFFFAOYSA-N 0 0 452.267 4.195 20 0 JIADRN Cc1ccc(C(=O)NC2CCN(C(=O)CSCC(=O)c3ccc(Cl)cc3)CC2)s1 ZINC001358324807 1068066543 /nfs/dbraw/zinc/06/65/43/1068066543.db2.gz LIVAELDFEXKFNG-UHFFFAOYSA-N 0 0 451.013 4.047 20 0 JIADRN COc1ccc(NC(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1Br ZINC001200320010 1068066575 /nfs/dbraw/zinc/06/65/75/1068066575.db2.gz ALPYTCQZEDSSCZ-ZUOKHONESA-N 0 0 454.365 4.369 20 0 JIADRN COc1ccc(NC(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1Br ZINC001200320132 1068066605 /nfs/dbraw/zinc/06/66/05/1068066605.db2.gz CNXCNDYXSBYHHK-INIZCTEOSA-N 0 0 454.365 4.369 20 0 JIADRN Cc1ccc(C(=O)NC2CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)s1 ZINC001358325614 1068066898 /nfs/dbraw/zinc/06/68/98/1068066898.db2.gz QBWAUGMZDFVPKK-UHFFFAOYSA-N 0 0 455.805 4.436 20 0 JIADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC)Oc3ccccc3C)CC2)cc1 ZINC001358326949 1068067169 /nfs/dbraw/zinc/06/71/69/1068067169.db2.gz ONWNMDMTVUHIFF-AUSIDOKSSA-N 0 0 458.624 4.199 20 0 JIADRN CC(=O)NC1CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1 ZINC001358332598 1068067679 /nfs/dbraw/zinc/06/76/79/1068067679.db2.gz DCFHSXYRTPGYOR-UHFFFAOYSA-N 0 0 452.736 4.031 20 0 JIADRN O=C(CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)Nc1cccc(F)c1 ZINC001358333976 1068067984 /nfs/dbraw/zinc/06/79/84/1068067984.db2.gz RIEIBOYUTHTQDK-NRFANRHFSA-N 0 0 457.299 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CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)CCO1 ZINC001359495345 1069725770 /nfs/dbraw/zinc/72/57/70/1069725770.db2.gz QIRZGQMNDFCFMH-HXUWFJFHSA-N 0 0 481.548 4.095 20 0 JIADRN CC(C)(C)c1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001359496152 1069730286 /nfs/dbraw/zinc/73/02/86/1069730286.db2.gz IGQDTWWRPJUCPX-UHFFFAOYSA-N 0 0 493.574 4.303 20 0 JIADRN CC(C)(C)[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CCO1 ZINC001359496418 1069730901 /nfs/dbraw/zinc/73/09/01/1069730901.db2.gz OWIWFXMYUROTSQ-VWLOTQADSA-N 0 0 490.048 4.211 20 0 JIADRN CC(C)(C)c1ccc(-c2nnc(N3CCC(CO)CC3)n2Cc2nccc(C(F)F)n2)cc1 ZINC001359496469 1069731269 /nfs/dbraw/zinc/73/12/69/1069731269.db2.gz QIMNGEGNOZGNCB-UHFFFAOYSA-N 0 0 456.541 4.227 20 0 JIADRN CC(C)(C)c1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCc2ccncc2)cc1 ZINC001359497240 1069736040 /nfs/dbraw/zinc/73/60/40/1069736040.db2.gz LABQSABLEUBGFB-UHFFFAOYSA-N 0 0 454.569 4.267 20 0 JIADRN 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ZINC001359502712 1069767277 /nfs/dbraw/zinc/76/72/77/1069767277.db2.gz UTGYOQLKQGNQPG-UHFFFAOYSA-N 0 0 451.615 4.078 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001359506427 1069779499 /nfs/dbraw/zinc/77/94/99/1069779499.db2.gz LDDDWCBXWJGGTQ-HSZRJFAPSA-N 0 0 476.593 4.311 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001359505749 1069776746 /nfs/dbraw/zinc/77/67/46/1069776746.db2.gz ODQYCANPEHVRQL-OAQYLSRUSA-N 0 0 495.590 4.134 20 0 JIADRN CC(C)(C)c1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001359506334 1069779071 /nfs/dbraw/zinc/77/90/71/1069779071.db2.gz HVZUXJDKSIBKHQ-HKUYNNGSSA-N 0 0 498.018 4.243 20 0 JIADRN CC(C)(C)c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@H]1CCCCS1 ZINC001359506425 1069779869 /nfs/dbraw/zinc/77/98/69/1069779869.db2.gz LADPZKZJZWDYKI-HXUWFJFHSA-N 0 0 462.708 4.462 20 0 JIADRN CC(C)(C)c1nnc(N2CCC=C(Br)C2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001359508744 1069783879 /nfs/dbraw/zinc/78/38/79/1069783879.db2.gz GZOGPKKUSRHBIU-UHFFFAOYSA-N 0 0 459.436 4.498 20 0 JIADRN CC(C)(C)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCCOCCOCc1ccccc1 ZINC001359508006 1069782485 /nfs/dbraw/zinc/78/24/85/1069782485.db2.gz LCHKNKWEXABTKL-AREMUKBSSA-N 0 0 456.631 4.206 20 0 JIADRN CC(C)(C)c1nnc(N2CC[C@]3(CCSC3)C2)n1Cc1cccnc1OCC(F)(F)F ZINC001359507698 1069782512 /nfs/dbraw/zinc/78/25/12/1069782512.db2.gz ATIYGCCHXVUKTI-FQEVSTJZSA-N 0 0 455.550 4.293 20 0 JIADRN CC(C)(C)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359509237 1069785921 /nfs/dbraw/zinc/78/59/21/1069785921.db2.gz SNYVBQQBEPEVLO-HRCADAONSA-N 0 0 467.339 4.163 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCCn1cc(Br)cn1 ZINC001359510185 1069788058 /nfs/dbraw/zinc/78/80/58/1069788058.db2.gz OWDBUSCIYOFUTJ-HNNXBMFYSA-N 0 0 493.372 4.173 20 0 JIADRN CC(C)(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC1(Sc2ccccc2)CC1 ZINC001359511537 1069790977 /nfs/dbraw/zinc/79/09/77/1069790977.db2.gz SYALMEVKDPSPTA-LJQANCHMSA-N 0 0 462.685 4.304 20 0 JIADRN CC(C)(C)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CCNC(=O)c1ccccc1F ZINC001359512493 1069795557 /nfs/dbraw/zinc/79/55/57/1069795557.db2.gz FHAIZGOQSZDNCL-QGZVFWFLSA-N 0 0 455.603 4.418 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCCCc1ccccc1 ZINC001359513143 1069797441 /nfs/dbraw/zinc/79/74/41/1069797441.db2.gz IHOWBRFODXEUOI-UHFFFAOYSA-N 0 0 452.647 4.326 20 0 JIADRN CC(C)(C)c1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1CC(C)(C)c1cccs1 ZINC001359515295 1069801841 /nfs/dbraw/zinc/80/18/41/1069801841.db2.gz QWZJCGFCYWRLJE-NRFANRHFSA-N 0 0 497.709 4.177 20 0 JIADRN CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CCCN1CCCCCC1=O ZINC001359517592 1069804520 /nfs/dbraw/zinc/80/45/20/1069804520.db2.gz YCTHMHZOGSDOEX-OAQYLSRUSA-N 0 0 457.594 4.085 20 0 JIADRN CC(C)(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001359516525 1069802506 /nfs/dbraw/zinc/80/25/06/1069802506.db2.gz CAGGYEYSJUWJCI-IBGZPJMESA-N 0 0 475.515 4.365 20 0 JIADRN CC(C)(C)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359517691 1069804943 /nfs/dbraw/zinc/80/49/43/1069804943.db2.gz AEWRNGLDDCQOCA-GOSISDBHSA-N 0 0 467.536 4.213 20 0 JIADRN CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCCOC[C@H]1CCCO1 ZINC001359517677 1069805055 /nfs/dbraw/zinc/80/50/55/1069805055.db2.gz ZPHCAKSSODRITB-RTWAWAEBSA-N 0 0 494.583 4.341 20 0 JIADRN CC(C)(C)c1cc(Cn2c(CCOc3ccccc3)nnc2N2CCC(O)(C(F)(F)F)CC2)on1 ZINC001359519031 1069805648 /nfs/dbraw/zinc/80/56/48/1069805648.db2.gz XEYAKEZXDKBRPB-UHFFFAOYSA-N 0 0 493.530 4.127 20 0 JIADRN CC(C)(C)c1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](C(N)=O)C2)on1 ZINC001359519079 1069805877 /nfs/dbraw/zinc/80/58/77/1069805877.db2.gz ZJMGQUSYVLVLIO-ZDUSSCGKSA-N 0 0 477.396 4.287 20 0 JIADRN CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001359519130 1069806045 /nfs/dbraw/zinc/80/60/45/1069806045.db2.gz AOXKSLWZOPTEQZ-RDJZCZTQSA-N 0 0 481.460 4.015 20 0 JIADRN CC(C)(C)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CCCCC2)C1 ZINC001359519688 1069806890 /nfs/dbraw/zinc/80/68/90/1069806890.db2.gz OKRKOSXCEFMDOK-DFBJGRDBSA-N 0 0 454.619 4.129 20 0 JIADRN CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001359520066 1069807618 /nfs/dbraw/zinc/80/76/18/1069807618.db2.gz YLDWBVGGWMEHDK-CQSZACIVSA-N 0 0 499.450 4.296 20 0 JIADRN CC(C)(C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCCn2cc(Br)cn2)C1 ZINC001359520622 1069807905 /nfs/dbraw/zinc/80/79/05/1069807905.db2.gz JIOXPEQVBIEOAW-INIZCTEOSA-N 0 0 473.423 4.047 20 0 JIADRN CC(C)(C)[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359520199 1069808100 /nfs/dbraw/zinc/80/81/00/1069808100.db2.gz BKTLOEWHJAQLHV-NHCUHLMSSA-N 0 0 479.591 4.199 20 0 JIADRN CC(C)(C)[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOCC2(C)C)C1 ZINC001359521054 1069808356 /nfs/dbraw/zinc/80/83/56/1069808356.db2.gz QXNFXRABJPYMHG-HSZRJFAPSA-N 0 0 453.675 4.437 20 0 JIADRN CC(C)(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CCn2cc(Br)cn2)C1 ZINC001359521359 1069808446 /nfs/dbraw/zinc/80/84/46/1069808446.db2.gz XHPVDLGJPKPVAU-SFHVURJKSA-N 0 0 487.446 4.431 20 0 JIADRN CC(C)(C)[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC(=O)NC2CCCCC2)CCO1 ZINC001359523338 1069811437 /nfs/dbraw/zinc/81/14/37/1069811437.db2.gz MOFPSBVPJUTGCN-HSZRJFAPSA-N 0 0 467.658 4.154 20 0 JIADRN CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001359524444 1069813006 /nfs/dbraw/zinc/81/30/06/1069813006.db2.gz HFXBCCKZVKLPKB-AUSIDOKSSA-N 0 0 479.591 4.236 20 0 JIADRN CC(C)(C)Cc1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1CC(=O)NCc1ccco1 ZINC001359524858 1069814151 /nfs/dbraw/zinc/81/41/51/1069814151.db2.gz PYHCYQXKVAALES-JOCHJYFZSA-N 0 0 483.588 4.101 20 0 JIADRN CC(C)(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2ccc(Br)cc2)CCO1 ZINC001359525032 1069814468 /nfs/dbraw/zinc/81/44/68/1069814468.db2.gz SXPFHSIFUNVXIC-RTBURBONSA-N 0 0 463.420 4.386 20 0 JIADRN CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCOCC(F)F)CCO1 ZINC001359525048 1069814480 /nfs/dbraw/zinc/81/44/80/1069814480.db2.gz UGAUIXYYYGKUSF-QGZVFWFLSA-N 0 0 458.937 4.044 20 0 JIADRN CC(C)(C)Cc1nnc(N(Cc2ccco2)Cc2ccco2)n1CC(C)(C)N1CCOCC1 ZINC001359525598 1069815279 /nfs/dbraw/zinc/81/52/79/1069815279.db2.gz IURGQGVFQSQPBM-UHFFFAOYSA-N 0 0 455.603 4.370 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCC1(O)CCOCC1 ZINC001359527411 1069816908 /nfs/dbraw/zinc/81/69/08/1069816908.db2.gz LYEYRNNGNHJLAX-QHCPKHFHSA-N 0 0 491.076 4.402 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCNC(=O)OC(C)(C)C ZINC001359531472 1069824011 /nfs/dbraw/zinc/82/40/11/1069824011.db2.gz NXGUTXCAABPSAX-UHFFFAOYSA-N 0 0 493.599 4.158 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CCCCCS(C)(=O)=O ZINC001359529208 1069819064 /nfs/dbraw/zinc/81/90/64/1069819064.db2.gz MDHADFNJLOQLOB-HXUWFJFHSA-N 0 0 464.651 4.290 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359529164 1069819119 /nfs/dbraw/zinc/81/91/19/1069819119.db2.gz KNULHCQYMBXXPF-UHFFFAOYSA-N 0 0 495.590 4.476 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCc1nccs1 ZINC001359529613 1069819882 /nfs/dbraw/zinc/81/98/82/1069819882.db2.gz ALIBNDVQBJXJLF-KRWDZBQOSA-N 0 0 462.664 4.307 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCOC(C)(C)C ZINC001359529675 1069820313 /nfs/dbraw/zinc/82/03/13/1069820313.db2.gz CIJNVUFKMJRDGO-UHFFFAOYSA-N 0 0 451.656 4.423 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1Cc2ccccc2O1 ZINC001359530032 1069820637 /nfs/dbraw/zinc/82/06/37/1069820637.db2.gz OZACHVCSYMIKIG-UYAOXDASSA-N 0 0 469.630 4.221 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001359530066 1069820918 /nfs/dbraw/zinc/82/09/18/1069820918.db2.gz PXTGBAOCAVOXMR-GOSISDBHSA-N 0 0 494.681 4.133 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCn1cc(Br)cn1 ZINC001359531794 1069824560 /nfs/dbraw/zinc/82/45/60/1069824560.db2.gz YNQWEZGDBKUDLE-HXUWFJFHSA-N 0 0 487.446 4.321 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CCS(=O)(=O)C(C)(C)C ZINC001359532496 1069825194 /nfs/dbraw/zinc/82/51/94/1069825194.db2.gz VAVKMTKSKHLKDZ-UHFFFAOYSA-N 0 0 460.635 4.486 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001359532895 1069825525 /nfs/dbraw/zinc/82/55/25/1069825525.db2.gz GSOPECYSAZUWGD-MRXNPFEDSA-N 0 0 495.487 4.017 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2nccn2C1 ZINC001359535227 1069828739 /nfs/dbraw/zinc/82/87/39/1069828739.db2.gz MVINQTJNKLVRDD-UXHICEINSA-N 0 0 485.677 4.067 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359534724 1069827969 /nfs/dbraw/zinc/82/79/69/1069827969.db2.gz BGHFIPQUSQQWQJ-MSOLQXFVSA-N 0 0 498.569 4.333 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001359535704 1069829940 /nfs/dbraw/zinc/82/99/40/1069829940.db2.gz XFFDBHCOWZGOPS-IBGZPJMESA-N 0 0 492.709 4.160 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H]1Cc2ccccc2O1 ZINC001359535743 1069830267 /nfs/dbraw/zinc/83/02/67/1069830267.db2.gz XYPBPWFFTXKOOS-ZWKOTPCHSA-N 0 0 452.521 4.418 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cccc(C(F)F)c1 ZINC001359536384 1069830755 /nfs/dbraw/zinc/83/07/55/1069830755.db2.gz NOQMFUVJWYURAI-GOSISDBHSA-N 0 0 454.587 4.256 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCOC1CCCCCC1 ZINC001359537991 1069833456 /nfs/dbraw/zinc/83/34/56/1069833456.db2.gz YQRSWGCPBJRCIV-UHFFFAOYSA-N 0 0 483.657 4.274 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[C@@H]1CCCCO1 ZINC001359537392 1069832005 /nfs/dbraw/zinc/83/20/05/1069832005.db2.gz WUSNKJYXWYHJAH-QFIPXVFZSA-N 0 0 471.621 4.318 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[C@H]1CCCCO1 ZINC001359537391 1069832056 /nfs/dbraw/zinc/83/20/56/1069832056.db2.gz WUSNKJYXWYHJAH-JOCHJYFZSA-N 0 0 471.621 4.318 20 0 JIADRN 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CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)(C)C ZINC001316393621 1066169254 /nfs/dbraw/zinc/16/92/54/1066169254.db2.gz DUWANTFRLPWUNM-LJQANCHMSA-N 0 0 487.743 4.045 20 0 JIADRN CS[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001316394525 1066170662 /nfs/dbraw/zinc/17/06/62/1066170662.db2.gz MNSUXUVVSVJBCD-QZTJIDSGSA-N 0 0 483.723 4.374 20 0 JIADRN CS[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccco1)C(C)(C)C ZINC001316394592 1066170673 /nfs/dbraw/zinc/17/06/73/1066170673.db2.gz ZRBYVPHBOAFHAC-GOSISDBHSA-N 0 0 476.672 4.245 20 0 JIADRN CS[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1)C(C)(C)C ZINC001316394826 1066170890 /nfs/dbraw/zinc/17/08/90/1066170890.db2.gz NLIUOECFTSZYEN-LVCYWYKZSA-N 0 0 460.644 4.226 20 0 JIADRN CS[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1)C(C)(C)C ZINC001316395159 1066171437 /nfs/dbraw/zinc/17/14/37/1066171437.db2.gz PGUZOJXWRGGLNP-LJQANCHMSA-N 0 0 469.659 4.291 20 0 JIADRN CS[C@H](C)Cn1c(N2CCC(OCc3ccccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001316395392 1066171649 /nfs/dbraw/zinc/17/16/49/1066171649.db2.gz QQFZWPQYXCHOAW-CLOONOSVSA-N 0 0 492.661 4.395 20 0 JIADRN CS[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)C(C)(C)C ZINC001316395754 1066172173 /nfs/dbraw/zinc/17/21/73/1066172173.db2.gz QENGEUPZXDNHDD-DOTOQJQBSA-N 0 0 498.118 4.471 20 0 JIADRN CS[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001316395987 1066172665 /nfs/dbraw/zinc/17/26/65/1066172665.db2.gz SCXWCTYUIDVQLE-GQIGUUNPSA-N 0 0 451.587 4.043 20 0 JIADRN CS[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C(C)(C)C ZINC001316396258 1066173074 /nfs/dbraw/zinc/17/30/74/1066173074.db2.gz SMLSGPXXHTVUPB-LEWJYISDSA-N 0 0 457.688 4.323 20 0 JIADRN CS[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)(C)C ZINC001316396338 1066173351 /nfs/dbraw/zinc/17/33/51/1066173351.db2.gz UNKXOGFRVIBRMV-FGTMMUONSA-N 0 0 467.680 4.005 20 0 JIADRN CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1)C(C)(C)C ZINC001316396790 1066174073 /nfs/dbraw/zinc/17/40/73/1066174073.db2.gz CWLIWSKFSTVNNE-IPMKNSEASA-N 0 0 491.706 4.297 20 0 JIADRN CS[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)C)C(C)(C)C ZINC001316397077 1066174492 /nfs/dbraw/zinc/17/44/92/1066174492.db2.gz LITGMJMISRBPBC-QGZVFWFLSA-N 0 0 482.492 4.446 20 0 JIADRN CS[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)C(C)(C)C ZINC001316397348 1066175171 /nfs/dbraw/zinc/17/51/71/1066175171.db2.gz XPBYCQPASQRZKN-FQEVSTJZSA-N 0 0 457.692 4.248 20 0 JIADRN CS[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCn2nc(C)nc2C1)C(C)(C)C ZINC001316397440 1066175354 /nfs/dbraw/zinc/17/53/54/1066175354.db2.gz DMHWNHLJKGGDHE-HXUWFJFHSA-N 0 0 469.659 4.172 20 0 JIADRN CS[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(C)(C)C ZINC001316397666 1066175593 /nfs/dbraw/zinc/17/55/93/1066175593.db2.gz YUKGRDCHBCUFSA-SIKLNZKXSA-N 0 0 489.661 4.228 20 0 JIADRN CS[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)(C)C ZINC001316397974 1066175853 /nfs/dbraw/zinc/17/58/53/1066175853.db2.gz NYAJZAXOFBUZKY-LBUQITIBSA-N 0 0 466.051 4.155 20 0 JIADRN CSC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001316398345 1066176060 /nfs/dbraw/zinc/17/60/60/1066176060.db2.gz KFJRLAPBCNORGA-INIZCTEOSA-N 0 0 464.607 4.288 20 0 JIADRN CS[C@H](Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)(C)C ZINC001316398554 1066176301 /nfs/dbraw/zinc/17/63/01/1066176301.db2.gz PJENTUQWQUUBDV-DOTOQJQBSA-N 0 0 458.598 4.134 20 0 JIADRN CSC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC001316399428 1066177208 /nfs/dbraw/zinc/17/72/08/1066177208.db2.gz LYQHZFPDAVPSKB-QGZVFWFLSA-N 0 0 483.560 4.200 20 0 JIADRN CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(Cc2cccc(F)c2)C(C)C)CCOCC1 ZINC001316399473 1066177223 /nfs/dbraw/zinc/17/72/23/1066177223.db2.gz NVKADLGATBKNDH-UHFFFAOYSA-N 0 0 498.628 4.392 20 0 JIADRN CSC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)CCC1 ZINC001316400422 1066177806 /nfs/dbraw/zinc/17/78/06/1066177806.db2.gz WUYQRZIUUKZSHV-HOTGVXAUSA-N 0 0 480.103 4.477 20 0 JIADRN CS[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)C(C)(C)C ZINC001316401285 1066179149 /nfs/dbraw/zinc/17/91/49/1066179149.db2.gz SZWZEODCUIVLOP-YMPZKCBVSA-N 0 0 487.714 4.100 20 0 JIADRN CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)CCOCC1 ZINC001316401409 1066179403 /nfs/dbraw/zinc/17/94/03/1066179403.db2.gz ANGNLSQNSGTADZ-UHFFFAOYSA-N 0 0 492.089 4.205 20 0 JIADRN CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316401537 1066179584 /nfs/dbraw/zinc/17/95/84/1066179584.db2.gz CHDYLOGIULFFIC-CALCHBBNSA-N 0 0 450.052 4.040 20 0 JIADRN CSC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CCCO)CC2)CCOCC1 ZINC001316401726 1066179850 /nfs/dbraw/zinc/17/98/50/1066179850.db2.gz FUQDIJYHYXLPRA-UHFFFAOYSA-N 0 0 496.624 4.448 20 0 JIADRN CSC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001316401648 1066179861 /nfs/dbraw/zinc/17/98/61/1066179861.db2.gz RPGDMEXTUHKZED-QFBILLFUSA-N 0 0 499.102 4.371 20 0 JIADRN CSC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cc(C)on2)CCOCC1 ZINC001316402252 1066180717 /nfs/dbraw/zinc/18/07/17/1066180717.db2.gz OEHAXTTYHMXRTB-UHFFFAOYSA-N 0 0 479.553 4.392 20 0 JIADRN CS[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1)C(C)(C)C ZINC001316402356 1066180737 /nfs/dbraw/zinc/18/07/37/1066180737.db2.gz YAGFFGRXMKOYKZ-CTNGQTDRSA-N 0 0 471.671 4.144 20 0 JIADRN CS[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)(C)C ZINC001316402635 1066181452 /nfs/dbraw/zinc/18/14/52/1066181452.db2.gz YDXDSEVIMBGGQS-AEFFLSMTSA-N 0 0 495.118 4.215 20 0 JIADRN CSC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001316403493 1066184475 /nfs/dbraw/zinc/18/44/75/1066184475.db2.gz YRGVQXIKQHXWJX-UHFFFAOYSA-N 0 0 468.042 4.180 20 0 JIADRN CSC1(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CCOCC1 ZINC001316404865 1066187226 /nfs/dbraw/zinc/18/72/26/1066187226.db2.gz FFKWOOFFCDKCOQ-KRWDZBQOSA-N 0 0 470.561 4.349 20 0 JIADRN CSC1(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001316406171 1066188978 /nfs/dbraw/zinc/18/89/78/1066188978.db2.gz QIFQYKJNJBNAHW-MJGOQNOKSA-N 0 0 478.684 4.059 20 0 JIADRN CSC1(Cn2c(CC(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)CCOCC1 ZINC001316407460 1066190902 /nfs/dbraw/zinc/19/09/02/1066190902.db2.gz PBRITGOLEBOZPX-UHFFFAOYSA-N 0 0 477.719 4.008 20 0 JIADRN CSC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)CCOCC1 ZINC001316407671 1066191714 /nfs/dbraw/zinc/19/17/14/1066191714.db2.gz QDDYKQPIHSRUCA-FQEVSTJZSA-N 0 0 465.063 4.296 20 0 JIADRN CSC1(Cn2c(Cc3ccccc3C)nnc2N2CCC(O)(C(F)(F)F)CC2)CCC1 ZINC001316408702 1066193421 /nfs/dbraw/zinc/19/34/21/1066193421.db2.gz OXWSAPHVKXTZDS-UHFFFAOYSA-N 0 0 454.562 4.357 20 0 JIADRN CSC1(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)CCOCC1 ZINC001316409593 1066195205 /nfs/dbraw/zinc/19/52/05/1066195205.db2.gz DXMJLUZVFRTBND-IAGOWNOFSA-N 0 0 466.648 4.239 20 0 JIADRN CSC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)CCC1 ZINC001316409562 1066195303 /nfs/dbraw/zinc/19/53/03/1066195303.db2.gz JORFDEBQKLAIGJ-OAQYLSRUSA-N 0 0 471.671 4.112 20 0 JIADRN CSC1(Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2cccc(C)c2)CCOCC1 ZINC001316409819 1066196525 /nfs/dbraw/zinc/19/65/25/1066196525.db2.gz OALHYSSNOIAXDN-UHFFFAOYSA-N 0 0 471.652 4.258 20 0 JIADRN CSC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCSC2)CCOCC1 ZINC001316410164 1066197863 /nfs/dbraw/zinc/19/78/63/1066197863.db2.gz PUHQSCBUFDOGGT-LJQANCHMSA-N 0 0 462.685 4.328 20 0 JIADRN CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CCOCC1 ZINC001316410427 1066198629 /nfs/dbraw/zinc/19/86/29/1066198629.db2.gz YMHHXOKUHYFOKS-GOSISDBHSA-N 0 0 460.673 4.311 20 0 JIADRN CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001316410727 1066199167 /nfs/dbraw/zinc/19/91/67/1066199167.db2.gz CGEUEZJODMMFNN-LHEBDHONSA-N 0 0 475.709 4.464 20 0 JIADRN CSC1(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CCOCC1 ZINC001316410779 1066199889 /nfs/dbraw/zinc/19/98/89/1066199889.db2.gz FEHGPAQCWSPLJJ-YTTGMZPUSA-N 0 0 490.720 4.216 20 0 JIADRN CSc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001316412855 1066203446 /nfs/dbraw/zinc/20/34/46/1066203446.db2.gz TVVYBPJIFOECON-OFNKIYASSA-N 0 0 498.741 4.297 20 0 JIADRN CSc1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccn1 ZINC001316412890 1066203917 /nfs/dbraw/zinc/20/39/17/1066203917.db2.gz CWGXUINIAJFVCY-UHFFFAOYSA-N 0 0 489.449 4.221 20 0 JIADRN CSc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001316413823 1066206173 /nfs/dbraw/zinc/20/61/73/1066206173.db2.gz FDRXRNMGYQZIEO-OALUTQOASA-N 0 0 457.644 4.092 20 0 JIADRN CSc1cc(Cn2c([C@H]3CCOC3)nnc2N(C)CCCOc2ccccc2C)ccn1 ZINC001316414063 1066207219 /nfs/dbraw/zinc/20/72/19/1066207219.db2.gz JOFXXLYVNZWTSI-FQEVSTJZSA-N 0 0 453.612 4.161 20 0 JIADRN CSc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)ccn1 ZINC001316414167 1066207292 /nfs/dbraw/zinc/20/72/92/1066207292.db2.gz LNBBZQSISXFNIW-NRFANRHFSA-N 0 0 494.665 4.237 20 0 JIADRN CSc1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)ccn1 ZINC001316414162 1066207423 /nfs/dbraw/zinc/20/74/23/1066207423.db2.gz LJLUQDVXAYTENU-UHFFFAOYSA-N 0 0 451.987 4.233 20 0 JIADRN CSc1cc(C)ccc1Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001316414226 1066207832 /nfs/dbraw/zinc/20/78/32/1066207832.db2.gz JLARUDUSGWGUQQ-RUZDIDTESA-N 0 0 484.670 4.076 20 0 JIADRN CSc1cc(Cn2c(C)nnc2N2CCO[C@@H](c3cccc(Br)c3)C2)ccn1 ZINC001316415392 1066211430 /nfs/dbraw/zinc/21/14/30/1066211430.db2.gz WWIHPBIZXFMOEB-GOSISDBHSA-N 0 0 460.401 4.092 20 0 JIADRN CSc1cc(Cn2c(C3CCC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccn1 ZINC001316415614 1066212058 /nfs/dbraw/zinc/21/20/58/1066212058.db2.gz UVCJNVHADLJXGC-GOSISDBHSA-N 0 0 472.659 4.404 20 0 JIADRN CSc1cc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)ccn1 ZINC001316415955 1066213132 /nfs/dbraw/zinc/21/31/32/1066213132.db2.gz WLQYPCYNWFEPCL-SJLPKXTDSA-N 0 0 474.675 4.381 20 0 JIADRN CSc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001316416522 1066214845 /nfs/dbraw/zinc/21/48/45/1066214845.db2.gz ZIVJTXIPIGUJRX-SFHVURJKSA-N 0 0 495.653 4.165 20 0 JIADRN CSc1ccc(CCn2c(-c3ccccn3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001316416560 1066214854 /nfs/dbraw/zinc/21/48/54/1066214854.db2.gz DJUVZRSPMNMMPB-HNAYVOBHSA-N 0 0 463.529 4.461 20 0 JIADRN CSc1cc(Cn2c(N3CCN(C(=O)c4ccc(C)cc4)CC3)nnc2C(C)(C)C)ccn1 ZINC001316416636 1066215436 /nfs/dbraw/zinc/21/54/36/1066215436.db2.gz LZBDCIOAJOBACV-UHFFFAOYSA-N 0 0 464.639 4.012 20 0 JIADRN CSc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001316416639 1066215448 /nfs/dbraw/zinc/21/54/48/1066215448.db2.gz FYZRFRVWIVXPNI-SFHVURJKSA-N 0 0 468.627 4.341 20 0 JIADRN CSc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 ZINC001316417374 1066217386 /nfs/dbraw/zinc/21/73/86/1066217386.db2.gz RGIBBVPYKWVVRE-LJQANCHMSA-N 0 0 485.057 4.263 20 0 JIADRN CSc1cccc(F)c1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001316418482 1066219675 /nfs/dbraw/zinc/21/96/75/1066219675.db2.gz QVBYLOAQEZASAS-NRFANRHFSA-N 0 0 455.603 4.425 20 0 JIADRN CSc1cccc(F)c1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001316418506 1066220205 /nfs/dbraw/zinc/22/02/05/1066220205.db2.gz RNZIALBZXRRYKQ-HXUWFJFHSA-N 0 0 496.656 4.162 20 0 JIADRN Cc1cc([C@H](C)NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c(C)o1 ZINC001324503241 1066221316 /nfs/dbraw/zinc/22/13/16/1066221316.db2.gz VOTQHIHKSXKVFK-KXBFYZLASA-N 0 0 458.559 4.443 20 0 JIADRN CSc1ccc(F)cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1cccs1)C(C)C ZINC001316419284 1066221570 /nfs/dbraw/zinc/22/15/70/1066221570.db2.gz FUMMVAUIJSLEIB-HNNXBMFYSA-N 0 0 497.687 4.274 20 0 JIADRN CSc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001316419349 1066221824 /nfs/dbraw/zinc/22/18/24/1066221824.db2.gz HBTVAIBVBWDUHC-UHFFFAOYSA-N 0 0 456.660 4.356 20 0 JIADRN CSc1ccc(CCn2c(N3CCN(c4ncccc4F)CC3)nnc2C(C)(C)C)cc1 ZINC001316419725 1066222575 /nfs/dbraw/zinc/22/25/75/1066222575.db2.gz IUXXEAYOLQFVEW-UHFFFAOYSA-N 0 0 454.619 4.401 20 0 JIADRN CSc1ccccc1CN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001316419607 1066222771 /nfs/dbraw/zinc/22/27/71/1066222771.db2.gz JIRFAMAXCQZDHW-HXUWFJFHSA-N 0 0 495.571 4.468 20 0 JIADRN CSc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCNC(=O)C(C)C)cc1 ZINC001316420154 1066223326 /nfs/dbraw/zinc/22/33/26/1066223326.db2.gz KXGQPHIHRJWJEV-FGZHOGPDSA-N 0 0 487.714 4.370 20 0 JIADRN CSc1cccc(F)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001316420115 1066223895 /nfs/dbraw/zinc/22/38/95/1066223895.db2.gz ZGNRBFNPOPZNQP-UZLBHIALSA-N 0 0 486.444 4.346 20 0 JIADRN COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc1 ZINC001475113327 1066225274 /nfs/dbraw/zinc/22/52/74/1066225274.db2.gz CWGGTTXUWBEONU-HNNXBMFYSA-N 0 0 450.532 4.169 20 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473.687 4.483 20 0 JIADRN CSCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccccc1F ZINC001316458567 1066349726 /nfs/dbraw/zinc/34/97/26/1066349726.db2.gz FQXWQPALSHJCIC-UHFFFAOYSA-N 0 0 490.674 4.465 20 0 JIADRN Cc1nc(S(=O)(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c(-c2ccccc2)s1 ZINC001475350652 1066350084 /nfs/dbraw/zinc/35/00/84/1066350084.db2.gz RMUSFDPPCWVVHC-HNNXBMFYSA-N 0 0 453.630 4.480 20 0 JIADRN CSCCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001316459181 1066351385 /nfs/dbraw/zinc/35/13/85/1066351385.db2.gz SIGHVPDKMYPFMP-GOSISDBHSA-N 0 0 461.657 4.053 20 0 JIADRN CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001316459388 1066352232 /nfs/dbraw/zinc/35/22/32/1066352232.db2.gz KQTFSSFGNAMNNY-GOSISDBHSA-N 0 0 454.575 4.202 20 0 JIADRN CSCCCCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001316459414 1066352249 /nfs/dbraw/zinc/35/22/49/1066352249.db2.gz USXKAXAZPYZCRN-SFHVURJKSA-N 0 0 460.648 4.177 20 0 JIADRN CSCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001316459740 1066352893 /nfs/dbraw/zinc/35/28/93/1066352893.db2.gz NSZIVCQLENOYGP-ZWKOTPCHSA-N 0 0 484.663 4.104 20 0 JIADRN CSCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001316459858 1066353237 /nfs/dbraw/zinc/35/32/37/1066353237.db2.gz QGTWMIVLMPJTIH-HOTGVXAUSA-N 0 0 468.465 4.052 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)n1 ZINC001492513699 1066353502 /nfs/dbraw/zinc/35/35/02/1066353502.db2.gz JUWYOPDQGKFVMJ-LAUBAEHRSA-N 0 0 490.505 4.362 20 0 JIADRN CSCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001316459974 1066353777 /nfs/dbraw/zinc/35/37/77/1066353777.db2.gz UBNSUFUYHHBDBK-UHFFFAOYSA-N 0 0 480.078 4.399 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2)n1 ZINC001492513770 1066354064 /nfs/dbraw/zinc/35/40/64/1066354064.db2.gz FRRFCEWUZVMOBN-NHCUHLMSSA-N 0 0 476.625 4.247 20 0 JIADRN CSCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001316460334 1066354953 /nfs/dbraw/zinc/35/49/53/1066354953.db2.gz DZNNKAWALSCXLB-UHFFFAOYSA-N 0 0 458.525 4.499 20 0 JIADRN CSCCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001316461065 1066356270 /nfs/dbraw/zinc/35/62/70/1066356270.db2.gz OAXUGFPQPOSAAU-UHFFFAOYSA-N 0 0 473.662 4.380 20 0 JIADRN CSCCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001316461243 1066357199 /nfs/dbraw/zinc/35/71/99/1066357199.db2.gz BMWDABBPSXAKCU-HXUWFJFHSA-N 0 0 459.660 4.310 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCOc2ccccc2)n1 ZINC001492514971 1066357733 /nfs/dbraw/zinc/35/77/33/1066357733.db2.gz UHAVDBLKOSYPEL-IBGZPJMESA-N 0 0 461.488 4.275 20 0 JIADRN CC(C)n1cc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c(C2CCOCC2)n1 ZINC001331302066 1066358076 /nfs/dbraw/zinc/35/80/76/1066358076.db2.gz QMEYCVVUFVKPIB-UHFFFAOYSA-N 0 0 456.587 4.313 20 0 JIADRN O=Cc1cccc(OCc2cccc(C(=O)OCC(=O)c3cc4c(cc3F)NC(=O)CC4)c2)c1 ZINC001331351707 1066358520 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470.348 4.120 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)n1 ZINC001492516551 1066365193 /nfs/dbraw/zinc/36/51/93/1066365193.db2.gz RVCODQZMWPJJAP-QIJUGHKUSA-N 0 0 484.645 4.299 20 0 JIADRN Cc1nc(Cn2c(-c3cccc(C)n3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)sc1C ZINC001492516467 1066365316 /nfs/dbraw/zinc/36/53/16/1066365316.db2.gz PIDPMNWNFSJKFU-UHFFFAOYSA-N 0 0 483.642 4.075 20 0 JIADRN CSCCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001316465428 1066365977 /nfs/dbraw/zinc/36/59/77/1066365977.db2.gz HLDAMTGLUKBREV-WMLDXEAASA-N 0 0 462.513 4.295 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)c2cccc(F)c2)n1 ZINC001492516822 1066366405 /nfs/dbraw/zinc/36/64/05/1066366405.db2.gz YHOGSNYJTMCAAB-NRFANRHFSA-N 0 0 485.629 4.169 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CCCC(C)(C)C)n1 ZINC001492516981 1066366923 /nfs/dbraw/zinc/36/69/23/1066366923.db2.gz CSSGMEMIWSZFGD-UHFFFAOYSA-N 0 0 453.635 4.203 20 0 JIADRN 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CC(=O)N1CCc2ccccc2[C@@H]1Cc1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001332042622 1066369453 /nfs/dbraw/zinc/36/94/53/1066369453.db2.gz DQXYKCBLLTYHDK-JTHBVZDNSA-N 0 0 462.550 4.372 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCOC1=O ZINC001316466868 1066370909 /nfs/dbraw/zinc/37/09/09/1066370909.db2.gz WBONPIBMQKBQEF-UHFFFAOYSA-N 0 0 458.415 4.284 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H]2CCC(F)(F)C2)n1 ZINC001492517215 1066371087 /nfs/dbraw/zinc/37/10/87/1066371087.db2.gz LRORPRGUFOYRGU-CVEARBPZSA-N 0 0 458.479 4.157 20 0 JIADRN COc1ccc(S(=O)(=O)CCc2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)cc1 ZINC001332047526 1066371498 /nfs/dbraw/zinc/37/14/98/1066371498.db2.gz ZTOJQQGJDJRMGY-UHFFFAOYSA-N 0 0 459.524 4.109 20 0 JIADRN CSCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCOC1CCCCCC1 ZINC001316467233 1066371339 /nfs/dbraw/zinc/37/13/39/1066371339.db2.gz BRPKKDCNNHSPSI-UHFFFAOYSA-N 0 0 484.670 4.121 20 0 JIADRN CSCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 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AXPIQPLEZBHSNA-UHFFFAOYSA-N 0 0 457.554 4.315 20 0 JIADRN CSCCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001316469165 1066374133 /nfs/dbraw/zinc/37/41/33/1066374133.db2.gz AYBNQOLOXPFNOZ-SIKLNZKXSA-N 0 0 467.035 4.038 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CCc2ccc(F)cc2C)n1 ZINC001492517642 1066374113 /nfs/dbraw/zinc/37/41/13/1066374113.db2.gz ZIXMGDDEBMIRPQ-UHFFFAOYSA-N 0 0 480.588 4.253 20 0 JIADRN CSCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001316469480 1066374646 /nfs/dbraw/zinc/37/46/46/1066374646.db2.gz FQDLUFUSJWMMQA-MRXNPFEDSA-N 0 0 453.678 4.375 20 0 JIADRN CSCCCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCSC1 ZINC001316469943 1066375305 /nfs/dbraw/zinc/37/53/05/1066375305.db2.gz PLCXMKSELGEYRB-HSZRJFAPSA-N 0 0 464.701 4.212 20 0 JIADRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1 ZINC001332500958 1066376485 /nfs/dbraw/zinc/37/64/85/1066376485.db2.gz NVQZUVWCKWNASE-LPHOPBHVSA-N 0 0 472.567 4.032 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001332502336 1066377130 /nfs/dbraw/zinc/37/71/30/1066377130.db2.gz XIDWXDNXUJOZQR-FGTMMUONSA-N 0 0 474.558 4.081 20 0 JIADRN CSCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001316471253 1066378325 /nfs/dbraw/zinc/37/83/25/1066378325.db2.gz JDHPABRHVSOEGF-HXUWFJFHSA-N 0 0 455.584 4.071 20 0 JIADRN CSCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCOCC2)C1 ZINC001316471505 1066378974 /nfs/dbraw/zinc/37/89/74/1066378974.db2.gz CBZXSZGQKQQQMC-FQEVSTJZSA-N 0 0 460.644 4.174 20 0 JIADRN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)sc1Br ZINC001332718210 1066379112 /nfs/dbraw/zinc/37/91/12/1066379112.db2.gz SAOXCFXHINYNOX-NSHDSACASA-N 0 0 483.331 4.154 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC(C)(C)c2ccc(F)cc2)n1 ZINC001492518679 1066379510 /nfs/dbraw/zinc/37/95/10/1066379510.db2.gz MZCLKPGHUCZJKZ-FQEVSTJZSA-N 0 0 478.616 4.459 20 0 JIADRN CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001316472405 1066380202 /nfs/dbraw/zinc/38/02/02/1066380202.db2.gz DWESSHAODCAONO-UHFFFAOYSA-N 0 0 478.416 4.196 20 0 JIADRN CSCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC001316473957 1066382236 /nfs/dbraw/zinc/38/22/36/1066382236.db2.gz RWJGNGNGGACKRS-UHFFFAOYSA-N 0 0 482.629 4.074 20 0 JIADRN CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001316474115 1066382263 /nfs/dbraw/zinc/38/22/63/1066382263.db2.gz YMKUFEOJMMQZHX-ZDUSSCGKSA-N 0 0 452.506 4.126 20 0 JIADRN COc1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1OCc1ccncc1 ZINC001333008263 1066382237 /nfs/dbraw/zinc/38/22/37/1066382237.db2.gz JBONOLOGGIYADB-UHFFFAOYSA-N 0 0 455.518 4.445 20 0 JIADRN Cc1c(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)nnn1-c1ccc2c(c1)OCCO2 ZINC001333201549 1066385459 /nfs/dbraw/zinc/38/54/59/1066385459.db2.gz IKMSYIMPKHLXNO-OAQYLSRUSA-N 0 0 490.520 4.011 20 0 JIADRN CC(C)(C)OC(=O)N[C@H](c1noc(CN2CC[C@H](c3ccccc3)NC2=O)n1)c1ccccc1 ZINC001333201662 1066385591 /nfs/dbraw/zinc/38/55/91/1066385591.db2.gz JUEICGYGXLZMDN-CTNGQTDRSA-N 0 0 463.538 4.340 20 0 JIADRN CSCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001316475469 1066385939 /nfs/dbraw/zinc/38/59/39/1066385939.db2.gz QBAMTKRFEYFFPD-INIZCTEOSA-N 0 0 468.570 4.074 20 0 JIADRN CSCCCn1c(Cc2ccccc2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001316475712 1066386201 /nfs/dbraw/zinc/38/62/01/1066386201.db2.gz FLMCYIVOFZRQHG-HSZRJFAPSA-N 0 0 458.672 4.485 20 0 JIADRN Cc1ccc(Cn2ncc3c2nc(C)cc3-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)cc1 ZINC001333204762 1066386351 /nfs/dbraw/zinc/38/63/51/1066386351.db2.gz QTEPHLUHWGGTIO-UHFFFAOYSA-N 0 0 459.531 4.217 20 0 JIADRN CSCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C(C)C ZINC001316475773 1066386376 /nfs/dbraw/zinc/38/63/76/1066386376.db2.gz GJJSYTDMLNVOPT-GOSISDBHSA-N 0 0 455.669 4.210 20 0 JIADRN O=C1NCCN1c1cccc(-c2nc(-c3cc(Br)cc(Br)c3)no2)c1 ZINC001333220460 1066386611 /nfs/dbraw/zinc/38/66/11/1066386611.db2.gz ZVINRQCVJGHBBJ-UHFFFAOYSA-N 0 0 464.117 4.458 20 0 JIADRN Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCc2ccc(Cl)cc2)n1 ZINC001492520473 1066386831 /nfs/dbraw/zinc/38/68/31/1066386831.db2.gz NUEGLRZRQFCLFE-GOSISDBHSA-N 0 0 451.880 4.312 20 0 JIADRN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001333501600 1066388670 /nfs/dbraw/zinc/38/86/70/1066388670.db2.gz RVTIHFIBRHMSBN-LJQANCHMSA-N 0 0 476.499 4.076 20 0 JIADRN CSCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001316477374 1066388985 /nfs/dbraw/zinc/38/89/85/1066388985.db2.gz KEOAYOSSWBDNEP-CYFREDJKSA-N 0 0 479.691 4.153 20 0 JIADRN CSCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001316477158 1066389061 /nfs/dbraw/zinc/38/90/61/1066389061.db2.gz IEBMMQHHGAAXDI-QGZVFWFLSA-N 0 0 469.721 4.478 20 0 JIADRN CSCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001316477680 1066389435 /nfs/dbraw/zinc/38/94/35/1066389435.db2.gz RETGTOQFAGSNLG-ROUUACIJSA-N 0 0 453.653 4.109 20 0 JIADRN CSCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001316477456 1066389593 /nfs/dbraw/zinc/38/95/93/1066389593.db2.gz LVIYXNRZKYGMIF-LJQANCHMSA-N 0 0 467.680 4.009 20 0 JIADRN CSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001316478034 1066390203 /nfs/dbraw/zinc/39/02/03/1066390203.db2.gz WGHWXILVTRPTMV-UHFFFAOYSA-N 0 0 491.587 4.259 20 0 JIADRN Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492522317 1066390219 /nfs/dbraw/zinc/39/02/19/1066390219.db2.gz NASNHMXDJRSIAU-HNAYVOBHSA-N 0 0 481.601 4.160 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOc2cccc(Cl)c2)n1 ZINC001492522292 1066390529 /nfs/dbraw/zinc/39/05/29/1066390529.db2.gz MGPMDUZZPWOMAJ-LJQANCHMSA-N 0 0 499.015 4.484 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCCN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001492522785 1066390904 /nfs/dbraw/zinc/39/09/04/1066390904.db2.gz CDFWBLJADHAPCA-JOCHJYFZSA-N 0 0 496.656 4.073 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](N3CCOCC3)C(F)(F)F)C2)c1 ZINC001492522934 1066391563 /nfs/dbraw/zinc/39/15/63/1066391563.db2.gz GESCPSUWOQHUNW-WOJBJXKFSA-N 0 0 465.564 4.141 20 0 JIADRN Cc1cccc([C@H]2CCCN2c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001492522904 1066391649 /nfs/dbraw/zinc/39/16/49/1066391649.db2.gz FMSLFSYBHUOGIW-JOCHJYFZSA-N 0 0 467.639 4.127 20 0 JIADRN CSCCCn1c(Cc2ccsc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001316478972 1066391967 /nfs/dbraw/zinc/39/19/67/1066391967.db2.gz UFWDEWIEXGYZAX-UHFFFAOYSA-N 0 0 464.607 4.450 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](c1noc(CC2(CC(=O)N3CCOCC3)CCCC2)n1)c1ccccc1 ZINC001334079338 1066392003 /nfs/dbraw/zinc/39/20/03/1066392003.db2.gz BQOFGRKWLWYKNL-JOCHJYFZSA-N 0 0 484.597 4.036 20 0 JIADRN COC(=O)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)n(-c2ccccc2)n1 ZINC001334073826 1066392320 /nfs/dbraw/zinc/39/23/20/1066392320.db2.gz ZRZUHBSWIVOLAR-UHFFFAOYSA-N 0 0 453.458 4.350 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](c1noc([C@H]2CC(=O)N(c3ccccc3F)C2)n1)c1ccccc1 ZINC001334079936 1066392678 /nfs/dbraw/zinc/39/26/78/1066392678.db2.gz FPXZOROWVVFLKD-OXJNMPFZSA-N 0 0 452.486 4.343 20 0 JIADRN CCN(CC)S(=O)(=O)c1cccc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1 ZINC001334082203 1066393140 /nfs/dbraw/zinc/39/31/40/1066393140.db2.gz NPDPFVQAYPQJFU-FQEVSTJZSA-N 0 0 486.594 4.381 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](c1noc([C@@H](c2cccc(F)c2)N2CCOCC2)n1)c1ccccc1 ZINC001334081049 1066393375 /nfs/dbraw/zinc/39/33/75/1066393375.db2.gz JYMGSNLORSTVMJ-NHCUHLMSSA-N 0 0 468.529 4.244 20 0 JIADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc([C@@H](NC(=O)OC(C)(C)C)c4ccccc4)no3)cc12 ZINC001334082185 1066393426 /nfs/dbraw/zinc/39/34/26/1066393426.db2.gz MVDNJGHOUHWOFN-KSSFIOAISA-N 0 0 496.593 4.431 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1OC(F)F ZINC001316479696 1066393390 /nfs/dbraw/zinc/39/33/90/1066393390.db2.gz FMUBEBCKKRZWOP-LPHOPBHVSA-N 0 0 461.557 4.478 20 0 JIADRN CC(C)(C)OC(=O)N[C@H](c1noc([C@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1)c1ccccc1 ZINC001334083274 1066393922 /nfs/dbraw/zinc/39/39/22/1066393922.db2.gz OKLVRXLIFAWLJU-YWZLYKJASA-N 0 0 470.476 4.482 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC2CCOCC2)C[C@@H]1O ZINC001316479959 1066394036 /nfs/dbraw/zinc/39/40/36/1066394036.db2.gz GTUXBZZEADPDKP-ZBFHGGJFSA-N 0 0 469.449 4.183 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@](C)(O)CCC(C)C)C2)c1 ZINC001492523762 1066394974 /nfs/dbraw/zinc/39/49/74/1066394974.db2.gz WFOFFRYXOMCZOE-ATIYNZHBSA-N 0 0 453.631 4.004 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CSCCS2)C[C@@H]1O ZINC001316480632 1066395314 /nfs/dbraw/zinc/39/53/14/1066395314.db2.gz RAIFRPHNCKADDF-IFIJOSMWSA-N 0 0 459.468 4.308 20 0 JIADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](c4cccc(C)c4)C3)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001492523876 1066395463 /nfs/dbraw/zinc/39/54/63/1066395463.db2.gz BNTHXYUYRWLBTG-QHCPKHFHSA-N 0 0 493.656 4.357 20 0 JIADRN CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001316481608 1066397125 /nfs/dbraw/zinc/39/71/25/1066397125.db2.gz BKKBHQFHYGNGGM-BBWFWOEESA-N 0 0 455.694 4.433 20 0 JIADRN CCc1noc(C[C@]2(O)CCCN(C(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)C2)n1 ZINC001334601589 1066397423 /nfs/dbraw/zinc/39/74/23/1066397423.db2.gz BOTZPCIEBZEFRV-OAQYLSRUSA-N 0 0 481.405 4.201 20 0 JIADRN CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001316481891 1066397749 /nfs/dbraw/zinc/39/77/49/1066397749.db2.gz FSYMACPBPXHYAN-OTWHNJEPSA-N 0 0 467.680 4.053 20 0 JIADRN CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001316482016 1066398252 /nfs/dbraw/zinc/39/82/52/1066398252.db2.gz SOAQXRZXCJVNKT-UHFFFAOYSA-N 0 0 459.616 4.033 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(-c4cc(Br)cn4C)n3CCNC(=O)C(C)C)C2)c1 ZINC001492524693 1066398617 /nfs/dbraw/zinc/39/86/17/1066398617.db2.gz VJKNCIGCFFNJJS-LJQANCHMSA-N 0 0 499.457 4.121 20 0 JIADRN Cc1cccc(CC2(O)CCN(c3nnc(C(C)(C)C)n3CCCOC(F)(F)F)CC2)c1 ZINC001492524719 1066399271 /nfs/dbraw/zinc/39/92/71/1066399271.db2.gz WDIVRODGMUXWOX-UHFFFAOYSA-N 0 0 454.537 4.385 20 0 JIADRN CSCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001316482476 1066399504 /nfs/dbraw/zinc/39/95/04/1066399504.db2.gz MFAPKUGDKPANHQ-OXQOHEQNSA-N 0 0 451.587 4.044 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 ZINC001316482518 1066399563 /nfs/dbraw/zinc/39/95/63/1066399563.db2.gz OSVHGZKVYDMHFN-KSFYIVLOSA-N 0 0 480.451 4.257 20 0 JIADRN CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001316482774 1066399951 /nfs/dbraw/zinc/39/99/51/1066399951.db2.gz RQSMXXNXPPPVDV-IPMKNSEASA-N 0 0 481.707 4.301 20 0 JIADRN C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC2CCOCC2)C[C@@H]1O ZINC001316483382 1066401518 /nfs/dbraw/zinc/40/15/18/1066401518.db2.gz NYMPLYFKQPTYDA-XXBNENTESA-N 0 0 456.631 4.178 20 0 JIADRN C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1O ZINC001316483222 1066401846 /nfs/dbraw/zinc/40/18/46/1066401846.db2.gz JOWXWNMGCJSGLA-APWZRJJASA-N 0 0 496.077 4.298 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001492525409 1066405923 /nfs/dbraw/zinc/40/59/23/1066405923.db2.gz AWDQVUPZHYCZFE-NRFANRHFSA-N 0 0 491.640 4.417 20 0 JIADRN Cc1nsc(N2CCCN(Cn3nc4cc(C)c5cc(C)cc(C)c5n4c3=S)CC2)n1 ZINC001335299880 1066407887 /nfs/dbraw/zinc/40/78/87/1066407887.db2.gz LYHHIKFOMRFNFJ-UHFFFAOYSA-N 0 0 453.641 4.273 20 0 JIADRN Fc1ccccc1N1CCCN(Cn2nc(-c3ccncc3)n(Cc3ccco3)c2=S)CC1 ZINC001335299732 1066408100 /nfs/dbraw/zinc/40/81/00/1066408100.db2.gz JCKFFJKKIVZNTP-UHFFFAOYSA-N 0 0 464.570 4.426 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCC(F)(F)C(F)F)C[C@@H]1F ZINC001316487162 1066409633 /nfs/dbraw/zinc/40/96/33/1066409633.db2.gz MUJQWDSJKLUCDU-YGRLFVJLSA-N 0 0 456.818 4.449 20 0 JIADRN CC(C)(C)OC(=O)NCc1cccc2c1N(S(=O)(=O)c1ccc3ncccc3c1)CCC2 ZINC001475503599 1066412674 /nfs/dbraw/zinc/41/26/74/1066412674.db2.gz VTZLYKCRELUJOW-UHFFFAOYSA-N 0 0 453.564 4.401 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316488089 1066413785 /nfs/dbraw/zinc/41/37/85/1066413785.db2.gz TXQATMQABHPVMC-BPQIPLTHSA-N 0 0 485.551 4.474 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492526473 1066414832 /nfs/dbraw/zinc/41/48/32/1066414832.db2.gz ZWMLFZVHUMZWLN-HXUWFJFHSA-N 0 0 498.031 4.433 20 0 JIADRN Cc1cccc(CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC001492526383 1066415424 /nfs/dbraw/zinc/41/54/24/1066415424.db2.gz WJOINNCKSFVKRI-OAQYLSRUSA-N 0 0 475.641 4.055 20 0 JIADRN Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCCN(C(=O)C(C)C)CC2)n1 ZINC001492526731 1066416453 /nfs/dbraw/zinc/41/64/53/1066416453.db2.gz JONQVEMTRWYZSZ-UHFFFAOYSA-N 0 0 496.606 4.178 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1F ZINC001316488570 1066416467 /nfs/dbraw/zinc/41/64/67/1066416467.db2.gz NEEZZCFGCGIDAQ-UPJWGTAASA-N 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ZINC001317851310 1066733073 /nfs/dbraw/zinc/73/30/73/1066733073.db2.gz SXHFOJIAOFKYTD-CQSZACIVSA-N 0 0 456.568 4.241 20 0 JIADRN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001317852701 1066733526 /nfs/dbraw/zinc/73/35/26/1066733526.db2.gz FLQPTFOLWYILCY-MRXNPFEDSA-N 0 0 473.501 4.192 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001348303442 1066735123 /nfs/dbraw/zinc/73/51/23/1066735123.db2.gz YNEZIKUZAOEDHK-GKVQRAMASA-N 0 0 455.624 4.306 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)n1 ZINC001317855719 1066735128 /nfs/dbraw/zinc/73/51/28/1066735128.db2.gz PSNJNUPXLFGXHY-IBGZPJMESA-N 0 0 454.552 4.324 20 0 JIADRN O=C(NCCNC(=O)c1cc(Cl)ccc1I)c1ccccc1C(F)(F)F ZINC001317855365 1066735243 /nfs/dbraw/zinc/73/52/43/1066735243.db2.gz JLMIFTUFPGDRJN-UHFFFAOYSA-N 0 0 496.654 4.123 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC(C(=O)c4ccc(OC)cc4)CC3)c2)n1 ZINC001317855967 1066735410 /nfs/dbraw/zinc/73/54/10/1066735410.db2.gz UKIBUJJHPYEUDM-UHFFFAOYSA-N 0 0 476.533 4.184 20 0 JIADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001348314107 1066735702 /nfs/dbraw/zinc/73/57/02/1066735702.db2.gz MARSDALWSACMAL-UHFFFAOYSA-N 0 0 450.411 4.440 20 0 JIADRN O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001317858014 1066736386 /nfs/dbraw/zinc/73/63/86/1066736386.db2.gz CJCNNHMPOMVWOR-STQMWFEESA-N 0 0 452.374 4.332 20 0 JIADRN CCOc1ccc(NC(=O)C(F)(F)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 ZINC001317857983 1066736467 /nfs/dbraw/zinc/73/64/67/1066736467.db2.gz AOMJNRXILDUGND-UHFFFAOYSA-N 0 0 458.914 4.254 20 0 JIADRN CCOc1ccc(NC(=O)c2ccc(F)c(C(=O)CC)c2)cc1S(=O)(=O)N(CC)CC ZINC001348337010 1066736636 /nfs/dbraw/zinc/73/66/36/1066736636.db2.gz XFMBIJSXNXCDQN-UHFFFAOYSA-N 0 0 450.532 4.100 20 0 JIADRN CCOc1ccc(NC(=O)c2ccc(Cl)cc2OCC)cc1S(=O)(=O)N(CC)CC ZINC001348336347 1066736928 /nfs/dbraw/zinc/73/69/28/1066736928.db2.gz RCJPCTXKSNNYCJ-UHFFFAOYSA-N 0 0 454.976 4.420 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(C4OCCO4)cc3)cc2)cc1 ZINC001348345491 1066737542 /nfs/dbraw/zinc/73/75/42/1066737542.db2.gz CKUHGWMQJVGWJC-UHFFFAOYSA-N 0 0 453.516 4.085 20 0 JIADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2=O)cc1 ZINC001348347021 1066737962 /nfs/dbraw/zinc/73/79/62/1066737962.db2.gz OJIRITDGTRGGTJ-XRFBDRIGSA-N 0 0 456.486 4.038 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)[C@@H](C(=O)OC(C)(C)C)C3CC3)cc2)cc1 ZINC001348347747 1066738054 /nfs/dbraw/zinc/73/80/54/1066738054.db2.gz UAICQQZRDVCUAE-NRFANRHFSA-N 0 0 459.564 4.093 20 0 JIADRN CC(=O)NCCc1ccc(C(=O)COC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)s1 ZINC001317858852 1066738098 /nfs/dbraw/zinc/73/80/98/1066738098.db2.gz WDRZUJULSDLSCL-UHFFFAOYSA-N 0 0 488.569 4.078 20 0 JIADRN CN(c1ccc(OC(=O)c2ccc(OC(C)(C)C)cn2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001348350599 1066738626 /nfs/dbraw/zinc/73/86/26/1066738626.db2.gz JSYRVPIMFWVFIW-UHFFFAOYSA-N 0 0 458.511 4.442 20 0 JIADRN C[C@@H](COCC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC001348351837 1066738719 /nfs/dbraw/zinc/73/87/19/1066738719.db2.gz VBFFXZUDLHZKME-SFHVURJKSA-N 0 0 457.523 4.377 20 0 JIADRN Cn1c(CC(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC001348356701 1066739221 /nfs/dbraw/zinc/73/92/21/1066739221.db2.gz UBQZQQZQICTEFL-UHFFFAOYSA-N 0 0 458.374 4.370 20 0 JIADRN COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001317861306 1066739361 /nfs/dbraw/zinc/73/93/61/1066739361.db2.gz TVYIGFMANHBBTF-UHFFFAOYSA-N 0 0 455.511 4.120 20 0 JIADRN Cc1ccnc(-c2cccc(NC(=O)Nc3ccc4c(ccn4CCN4CCOCC4)c3)c2)n1 ZINC001348371100 1066739784 /nfs/dbraw/zinc/73/97/84/1066739784.db2.gz MEVMMMYRUALSOK-UHFFFAOYSA-N 0 0 456.550 4.383 20 0 JIADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCc2ccccc2Cn2cccn2)cc1 ZINC001317862197 1066739907 /nfs/dbraw/zinc/73/99/07/1066739907.db2.gz FDBFWHIIQFBLIH-UHFFFAOYSA-N 0 0 450.546 4.271 20 0 JIADRN COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001317862624 1066739934 /nfs/dbraw/zinc/73/99/34/1066739934.db2.gz GFAYZFYIPLKJIG-QGZVFWFLSA-N 0 0 465.525 4.286 20 0 JIADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@@H](CC(F)(F)F)C3)c2)c1 ZINC001348371623 1066739952 /nfs/dbraw/zinc/73/99/52/1066739952.db2.gz OJXRLXMVCAZFFT-IBGZPJMESA-N 0 0 479.455 4.301 20 0 JIADRN O=C(c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001348374070 1066740579 /nfs/dbraw/zinc/74/05/79/1066740579.db2.gz ZPQQKQWHGSTQBE-QFIPXVFZSA-N 0 0 495.457 4.110 20 0 JIADRN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@H]1CCC ZINC001348380096 1066741038 /nfs/dbraw/zinc/74/10/38/1066741038.db2.gz MRYQFIGUUTXOKY-UYAOXDASSA-N 0 0 451.633 4.074 20 0 JIADRN CCOc1ccc([C@@H](NC(=O)NCc2ccccc2NS(C)(=O)=O)c2ccccc2)cc1 ZINC001317867343 1066742835 /nfs/dbraw/zinc/74/28/35/1066742835.db2.gz FTFBULRZXDHZGM-QHCPKHFHSA-N 0 0 453.564 4.046 20 0 JIADRN CCOc1ccc(-c2nc(C(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cs2)cc1 ZINC001317867804 1066743446 /nfs/dbraw/zinc/74/34/46/1066743446.db2.gz YFKNERPKNDOZEE-UHFFFAOYSA-N 0 0 463.481 4.387 20 0 JIADRN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1nn(-c2ccccc2F)cc1Br ZINC001317869566 1066744679 /nfs/dbraw/zinc/74/46/79/1066744679.db2.gz ZFKINWBHTKNLFU-UHFFFAOYSA-N 0 0 465.666 4.011 20 0 JIADRN CCCCCc1ccc(NC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001348466704 1066746898 /nfs/dbraw/zinc/74/68/98/1066746898.db2.gz SMORTMVFRWABFV-UHFFFAOYSA-N 0 0 452.617 4.172 20 0 JIADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(Br)s1 ZINC001348457118 1066747089 /nfs/dbraw/zinc/74/70/89/1066747089.db2.gz PHHBMUBEFQIOGX-FOIQADDNSA-N 0 0 476.396 4.441 20 0 JIADRN CCOc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001317873617 1066747389 /nfs/dbraw/zinc/74/73/89/1066747389.db2.gz OMBJMIQNNCPVAT-SFHVURJKSA-N 0 0 464.484 4.120 20 0 JIADRN Cc1oc(Br)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001348479785 1066748328 /nfs/dbraw/zinc/74/83/28/1066748328.db2.gz IDDJMDWNLSBDEK-UHFFFAOYSA-N 0 0 452.658 4.380 20 0 JIADRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001348482447 1066748793 /nfs/dbraw/zinc/74/87/93/1066748793.db2.gz QCKBWGXPSTZYGC-QRVBRYPASA-N 0 0 480.650 4.253 20 0 JIADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(C(=O)NC)cc2C)CC1 ZINC001317876957 1066749005 /nfs/dbraw/zinc/74/90/05/1066749005.db2.gz BZQDXTNRMREWAA-JOCHJYFZSA-N 0 0 451.567 4.336 20 0 JIADRN C/C(=C/C(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O)c1cnccn1 ZINC001348496530 1066750330 /nfs/dbraw/zinc/75/03/30/1066750330.db2.gz BMHAPSFPIPXDJE-WQBPOOPKSA-N 0 0 450.564 4.030 20 0 JIADRN C[C@@H](NC(=O)NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(OCc2cccnc2)cc1 ZINC001317880819 1066750744 /nfs/dbraw/zinc/75/07/44/1066750744.db2.gz BRNZNUJTMBWUQF-QGZVFWFLSA-N 0 0 486.494 4.470 20 0 JIADRN CSC[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001317881765 1066751190 /nfs/dbraw/zinc/75/11/90/1066751190.db2.gz OJWPMLBPLVJJTP-IIDMSEBBSA-N 0 0 479.574 4.018 20 0 JIADRN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1nn(-c2ccccc2F)cc1Br ZINC001317881700 1066751240 /nfs/dbraw/zinc/75/12/40/1066751240.db2.gz GLQGIFIHVZZSBR-UHFFFAOYSA-N 0 0 474.258 4.023 20 0 JIADRN O=C(COc1ccsc1)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC001348508703 1066751924 /nfs/dbraw/zinc/75/19/24/1066751924.db2.gz OWJWCRPLDHMIOF-RIYZIHGNSA-N 0 0 457.360 4.286 20 0 JIADRN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 ZINC001317884517 1066753286 /nfs/dbraw/zinc/75/32/86/1066753286.db2.gz AAKDHVKOFPXQDE-UHFFFAOYSA-N 0 0 463.622 4.340 20 0 JIADRN COc1ccccc1C(F)(F)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001348520572 1066753437 /nfs/dbraw/zinc/75/34/37/1066753437.db2.gz UGNRXDOONMNFTA-IYBDPMFKSA-N 0 0 452.523 4.092 20 0 JIADRN Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC001348531536 1066754707 /nfs/dbraw/zinc/75/47/07/1066754707.db2.gz HWGRAUQYLNHKGE-HXUWFJFHSA-N 0 0 452.576 4.360 20 0 JIADRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CC2 ZINC001348544956 1066755384 /nfs/dbraw/zinc/75/53/84/1066755384.db2.gz MSUQOVVVXDSWQI-HXOBKFHXSA-N 0 0 454.567 4.339 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001492545665 1066755699 /nfs/dbraw/zinc/75/56/99/1066755699.db2.gz NBBHKKRSMHHHOO-ZVDOUQERSA-N 0 0 482.547 4.264 20 0 JIADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cnc3c(F)ccc(F)c3c2)c1C ZINC001348556202 1066756478 /nfs/dbraw/zinc/75/64/78/1066756478.db2.gz KACKBXHSBIRNAG-GOSISDBHSA-N 0 0 453.489 4.390 20 0 JIADRN CC(=O)NCCc1ccc(C(=O)COC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 ZINC001317887239 1066756667 /nfs/dbraw/zinc/75/66/67/1066756667.db2.gz CXQVAOOOUCGJSO-UHFFFAOYSA-N 0 0 456.951 4.106 20 0 JIADRN CCOc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1S(=O)(=O)N1CCCC1 ZINC001348567911 1066757536 /nfs/dbraw/zinc/75/75/36/1066757536.db2.gz HCDBFPIQDRFTNB-XFXZXTDPSA-N 0 0 451.548 4.070 20 0 JIADRN Cc1ccc(C(=O)c2c(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC001348569480 1066757572 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FZKQFQIYIGQGIK-UHFFFAOYSA-N 0 0 455.481 4.301 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2Cc2nc(C(C)C)cs2)cc1O ZINC001315479606 1064336991 /nfs/dbraw/zinc/33/69/91/1064336991.db2.gz NBKCSZUKZDXMMA-UHFFFAOYSA-N 0 0 464.595 4.243 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)cc1O ZINC001315479683 1064337734 /nfs/dbraw/zinc/33/77/34/1064337734.db2.gz JRZOSSWLPOPIIB-UHFFFAOYSA-N 0 0 498.509 4.271 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@H](C)C2)cc1OC(F)F ZINC001315480145 1064338562 /nfs/dbraw/zinc/33/85/62/1064338562.db2.gz ROABZDYGJHGUBX-YLJYHZDGSA-N 0 0 487.551 4.325 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC3CC3)n2Cc2ccnc(C(F)(F)F)c2)cc1OC ZINC001315480512 1064340138 /nfs/dbraw/zinc/34/01/38/1064340138.db2.gz LLKKQISNDPEMOW-UHFFFAOYSA-N 0 0 461.488 4.346 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001315480617 1064340713 /nfs/dbraw/zinc/34/07/13/1064340713.db2.gz YOAVOMFFKKPHGR-IZZQQSIFSA-N 0 0 485.654 4.491 20 0 JIADRN COc1ccc(CN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(F)F)C2CC2)cc1 ZINC001315482072 1064344292 /nfs/dbraw/zinc/34/42/92/1064344292.db2.gz XCXQJJNNPVZIKN-UHFFFAOYSA-N 0 0 456.497 4.148 20 0 JIADRN COc1ccc(CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)C2CC2)cc1 ZINC001315482002 1064344327 /nfs/dbraw/zinc/34/43/27/1064344327.db2.gz UXZKTBPNYBJPDN-ISKFKSNPSA-N 0 0 483.657 4.289 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)cc1F ZINC001315482529 1064345616 /nfs/dbraw/zinc/34/56/16/1064345616.db2.gz CQUDLYKAJJJOHE-NFBKMPQASA-N 0 0 497.615 4.036 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(C(C)C)n2Cc2ccsc2Br)c(OC)c1 ZINC001315482687 1064346331 /nfs/dbraw/zinc/34/63/31/1064346331.db2.gz FFUJWMHSQHKGOA-UHFFFAOYSA-N 0 0 495.443 4.290 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2Cc2nc(C(C)C)cs2)c(OC)c1 ZINC001315483317 1064347929 /nfs/dbraw/zinc/34/79/29/1064347929.db2.gz LYMWPEKUTYXHCK-UHFFFAOYSA-N 0 0 473.643 4.220 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2nc(C)no2)cc1C ZINC001315483396 1064348876 /nfs/dbraw/zinc/34/88/76/1064348876.db2.gz NICPRPCKKNULMN-NFBKMPQASA-N 0 0 482.629 4.474 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001315483410 1064348914 /nfs/dbraw/zinc/34/89/14/1064348914.db2.gz NQJGTOQDMDSDEQ-OALUTQOASA-N 0 0 483.638 4.120 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C(C)(C)C)cc1F ZINC001315483720 1064349555 /nfs/dbraw/zinc/34/95/55/1064349555.db2.gz TVZOFTJGTXGUBP-WIYYLYMNSA-N 0 0 489.636 4.143 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)cc1 ZINC001315484521 1064352574 /nfs/dbraw/zinc/35/25/74/1064352574.db2.gz MROGLKFKTAPPQQ-UHFFFAOYSA-N 0 0 474.487 4.151 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCC2)cc1Cl ZINC001315484425 1064352663 /nfs/dbraw/zinc/35/26/63/1064352663.db2.gz JXGCKFNPTVIHBF-UHFFFAOYSA-N 0 0 454.962 4.262 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1Cl ZINC001315485386 1064354771 /nfs/dbraw/zinc/35/47/71/1064354771.db2.gz OODNTMOVIMPJFA-SFHVURJKSA-N 0 0 462.038 4.491 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N(Cc2cccs2)C[C@H]2CCCO2)cc1OC(F)F ZINC001315486009 1064356155 /nfs/dbraw/zinc/35/61/55/1064356155.db2.gz NCBSGSQOWDADFT-QGZVFWFLSA-N 0 0 464.538 4.492 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)cn1 ZINC001315486959 1064359885 /nfs/dbraw/zinc/35/98/85/1064359885.db2.gz LFJKSTUUTKHEHP-BEFAXECRSA-N 0 0 472.387 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC(C)(C)OC(C)(C)C2)cn1 ZINC001315487595 1064361955 /nfs/dbraw/zinc/36/19/55/1064361955.db2.gz AKKCPSJOSVRUND-UHFFFAOYSA-N 0 0 471.989 4.453 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(OC)CC2)cn1 ZINC001315487845 1064363291 /nfs/dbraw/zinc/36/32/91/1064363291.db2.gz FSLRDBLXIVVVMJ-IQGLISFBSA-N 0 0 469.561 4.405 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCCO2)cc1F ZINC001315487933 1064363478 /nfs/dbraw/zinc/36/34/78/1064363478.db2.gz MBHPQLBUMIQSIO-MRXNPFEDSA-N 0 0 478.366 4.237 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(C)(C)OC[C@@H]2C)cn1 ZINC001315489041 1064367155 /nfs/dbraw/zinc/36/71/55/1064367155.db2.gz JHEVFXNRLHMDEB-IRXDYDNUSA-N 0 0 455.534 4.013 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CCOc2ccc(Cl)cc2)cn1 ZINC001315488919 1064367203 /nfs/dbraw/zinc/36/72/03/1064367203.db2.gz ZAXHOQLQVYOQSK-UHFFFAOYSA-N 0 0 453.930 4.467 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(OC)n1 ZINC001315489400 1064369545 /nfs/dbraw/zinc/36/95/45/1064369545.db2.gz YKWMDAKLFYNOJW-CXAGYDPISA-N 0 0 497.905 4.215 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC=C(C(F)(F)F)CC2)cn1 ZINC001315489770 1064371222 /nfs/dbraw/zinc/37/12/22/1064371222.db2.gz SZNCNYXPQRMECC-UHFFFAOYSA-N 0 0 450.852 4.144 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1Cl ZINC001315489975 1064371821 /nfs/dbraw/zinc/37/18/21/1064371821.db2.gz PMMRYISLCRQCGQ-SFHVURJKSA-N 0 0 460.966 4.196 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)c(OC)n1 ZINC001315490618 1064373547 /nfs/dbraw/zinc/37/35/47/1064373547.db2.gz NPYMKVMZCXWFAI-UHFFFAOYSA-N 0 0 484.482 4.456 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2cccc(O)c2)c(OC)n1 ZINC001315491897 1064377056 /nfs/dbraw/zinc/37/70/56/1064377056.db2.gz UVPHVAUJTPCGOJ-QGZVFWFLSA-N 0 0 460.538 4.012 20 0 JIADRN COc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1Br ZINC001315491725 1064377078 /nfs/dbraw/zinc/37/70/78/1064377078.db2.gz QGNNSKNJGMOUSQ-TZMCWYRMSA-N 0 0 497.319 4.189 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1F ZINC001315492156 1064378090 /nfs/dbraw/zinc/37/80/90/1064378090.db2.gz XRRGOUPXZXKRAO-KUHUBIRLSA-N 0 0 465.451 4.001 20 0 JIADRN COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CCSC)c(C(F)(F)F)c1 ZINC001315492562 1064378664 /nfs/dbraw/zinc/37/86/64/1064378664.db2.gz VLDLOCZSCLDLNW-CQSZACIVSA-N 0 0 468.549 4.332 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001315492610 1064378725 /nfs/dbraw/zinc/37/87/25/1064378725.db2.gz WSAIJWPTYBOLAT-UHFFFAOYSA-N 0 0 484.576 4.305 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCCC2)cn1 ZINC001315493962 1064382368 /nfs/dbraw/zinc/38/23/68/1064382368.db2.gz DEYDAVLKRVXCBT-OAQYLSRUSA-N 0 0 484.645 4.471 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2C[C@H](OC)C(C)(C)C2)c(C(F)(F)F)c1 ZINC001315495162 1064386173 /nfs/dbraw/zinc/38/61/73/1064386173.db2.gz RMVXPHXXYDOTHV-MOPGFXCFSA-N 0 0 468.520 4.457 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c(F)c1 ZINC001315495314 1064386898 /nfs/dbraw/zinc/38/68/98/1064386898.db2.gz SIBCOZGLFARHDG-GOSISDBHSA-N 0 0 470.467 4.064 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(OC)c1OC ZINC001315495753 1064387799 /nfs/dbraw/zinc/38/77/99/1064387799.db2.gz XRXCGNNTFXSVEM-YLJYHZDGSA-N 0 0 458.603 4.466 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001315497588 1064390834 /nfs/dbraw/zinc/39/08/34/1064390834.db2.gz IREUXXZKDYESGC-FXAWDEMLSA-N 0 0 455.603 4.342 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001315497590 1064391022 /nfs/dbraw/zinc/39/10/22/1064391022.db2.gz IREUXXZKDYESGC-XLIONFOSSA-N 0 0 455.603 4.342 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c(OC)n1 ZINC001315498446 1064393684 /nfs/dbraw/zinc/39/36/84/1064393684.db2.gz IIPHOUOMCQFWCU-GOSISDBHSA-N 0 0 494.596 4.091 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001315498706 1064394552 /nfs/dbraw/zinc/39/45/52/1064394552.db2.gz HFNSQACPBHICHG-FPOVZHCZSA-N 0 0 492.624 4.060 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCS[C@H](C)[C@H]2C)cc1Br ZINC001315500210 1064399557 /nfs/dbraw/zinc/39/95/57/1064399557.db2.gz AMDVWCSOFPYDGR-HZPDHXFCSA-N 0 0 488.455 4.414 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)CC(C)(C)C2)c(OC)c1OC ZINC001315500568 1064401125 /nfs/dbraw/zinc/40/11/25/1064401125.db2.gz YQLCOIJOUCEEAY-SFHVURJKSA-N 0 0 465.598 4.210 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(Cl)s2)cc1O ZINC001315500711 1064401146 /nfs/dbraw/zinc/40/11/46/1064401146.db2.gz GTUBOZHHTHMICH-UHFFFAOYSA-N 0 0 455.971 4.378 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1OC ZINC001315501279 1064402915 /nfs/dbraw/zinc/40/29/15/1064402915.db2.gz MTPRZLJZNHERTA-OAQYLSRUSA-N 0 0 465.598 4.113 20 0 JIADRN COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C)C(C)(C)C2)cc1Br ZINC001315502509 1064406220 /nfs/dbraw/zinc/40/62/20/1064406220.db2.gz YLNIMOGTPWDCAJ-INIZCTEOSA-N 0 0 490.446 4.092 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)c(OC)c1 ZINC001315502782 1064406745 /nfs/dbraw/zinc/40/67/45/1064406745.db2.gz GSIRRIVZUFAKMX-INIZCTEOSA-N 0 0 463.554 4.181 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1Br 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VYYKWJPGYPGHJZ-MYYSRTQBSA-N 0 0 472.611 4.369 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCNC(=O)c2cccc(O)c2)n1 ZINC001492505635 1066324602 /nfs/dbraw/zinc/32/46/02/1066324602.db2.gz COSMMTFRESQKDV-HXUWFJFHSA-N 0 0 462.598 4.047 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(=O)c4ccc(F)cc4)CC3)n2CCOC(C)C)n1 ZINC001492506157 1066326419 /nfs/dbraw/zinc/32/64/19/1066326419.db2.gz JSWKECQAWOVUAR-UHFFFAOYSA-N 0 0 451.546 4.312 20 0 JIADRN Cc1cccc(-c2nnc(N3Cc4cccc(Br)c4C3)n2C[C@](C)(O)C(C)C)n1 ZINC001492506596 1066327105 /nfs/dbraw/zinc/32/71/05/1066327105.db2.gz LCMAGTZGUDGTAV-QFIPXVFZSA-N 0 0 456.388 4.338 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001316449819 1066327229 /nfs/dbraw/zinc/32/72/29/1066327229.db2.gz VUWYNOVQEFTQMW-APWZRJJASA-N 0 0 488.658 4.202 20 0 JIADRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC(O)(c3ccccc3Cl)CC1)CC2 ZINC001328606435 1066327219 /nfs/dbraw/zinc/32/72/19/1066327219.db2.gz NDCGSCWOQICALE-CQSZACIVSA-N 0 0 453.892 4.072 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001492506555 1066327441 /nfs/dbraw/zinc/32/74/41/1066327441.db2.gz KVXLRLIATWXAMA-RTBURBONSA-N 0 0 470.618 4.052 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001316450011 1066327586 /nfs/dbraw/zinc/32/75/86/1066327586.db2.gz WYSXKPOTJUTXMB-XWTMOSNGSA-N 0 0 451.681 4.037 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1coc(-c2cccs2)n1 ZINC001316449964 1066327605 /nfs/dbraw/zinc/32/76/05/1066327605.db2.gz MGWNRBWNXFVRJH-INIZCTEOSA-N 0 0 471.656 4.482 20 0 JIADRN COC(=O)[C@@H](OC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1Cl ZINC001328631606 1066327819 /nfs/dbraw/zinc/32/78/19/1066327819.db2.gz DGFRFDPRQZOPOD-FQEVSTJZSA-N 0 0 459.907 4.212 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCNc2nccc(C(F)(F)F)n2)n1 ZINC001492506729 1066328394 /nfs/dbraw/zinc/32/83/94/1066328394.db2.gz MHTZYMLVRMAVKQ-GOEBONIOSA-N 0 0 460.508 4.194 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCNc2nccc(C(F)(F)F)n2)n1 ZINC001492506731 1066328610 /nfs/dbraw/zinc/32/86/10/1066328610.db2.gz MHTZYMLVRMAVKQ-ZBFHGGJFSA-N 0 0 460.508 4.194 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2ccnc2C)nc1 ZINC001316450677 1066329294 /nfs/dbraw/zinc/32/92/94/1066329294.db2.gz NTSGRCFPKDJGSP-INIZCTEOSA-N 0 0 482.683 4.149 20 0 JIADRN Cc1nc(C)c(CCn2c(-c3cccc(C)n3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC001492507001 1066329665 /nfs/dbraw/zinc/32/96/65/1066329665.db2.gz OJYNVFIZNXKIRV-SCLBCKFNSA-N 0 0 466.533 4.121 20 0 JIADRN CSCCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001316451068 1066330351 /nfs/dbraw/zinc/33/03/51/1066330351.db2.gz ASSLROLIPPLFPF-UHFFFAOYSA-N 0 0 480.476 4.346 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC[C@@H]2CCCCO2)n1 ZINC001492507180 1066330465 /nfs/dbraw/zinc/33/04/65/1066330465.db2.gz PVFZZUOEDDFSJP-LNLFQRSKSA-N 0 0 453.509 4.154 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001492507736 1066331387 /nfs/dbraw/zinc/33/13/87/1066331387.db2.gz YTDGFHYZQIIOSV-QZTJIDSGSA-N 0 0 460.648 4.236 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1nccs1 ZINC001316451351 1066331551 /nfs/dbraw/zinc/33/15/51/1066331551.db2.gz RGRPRSGASBMXFR-APWZRJJASA-N 0 0 459.641 4.458 20 0 JIADRN CSCCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001316451676 1066332929 /nfs/dbraw/zinc/33/29/29/1066332929.db2.gz JNNKFCJPXIKKNH-QGZVFWFLSA-N 0 0 498.466 4.485 20 0 JIADRN CSCCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001316451910 1066333358 /nfs/dbraw/zinc/33/33/58/1066333358.db2.gz OHMVPLUXUOVWJL-FPOVZHCZSA-N 0 0 455.672 4.491 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCCOC(C)C)n1 ZINC001492508342 1066333572 /nfs/dbraw/zinc/33/35/72/1066333572.db2.gz OEFZVHHBNVJOMT-WOJBJXKFSA-N 0 0 472.634 4.203 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(c4cnn(C)c4)CC3)n2CCCOCCC(C)C)n1 ZINC001492508804 1066335343 /nfs/dbraw/zinc/33/53/43/1066335343.db2.gz AOCWBFZPNWEMIZ-UHFFFAOYSA-N 0 0 451.619 4.219 20 0 JIADRN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001329216827 1066336026 /nfs/dbraw/zinc/33/60/26/1066336026.db2.gz OUHKVYVFFCHICL-GUDVDZBRSA-N 0 0 480.650 4.396 20 0 JIADRN CSCCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001316452903 1066336710 /nfs/dbraw/zinc/33/67/10/1066336710.db2.gz ZPHXUOLUUNLYOP-INIZCTEOSA-N 0 0 485.576 4.280 20 0 JIADRN CSCCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001316453128 1066337120 /nfs/dbraw/zinc/33/71/20/1066337120.db2.gz KIHHYBIAUQLARE-OAHLLOKOSA-N 0 0 454.015 4.328 20 0 JIADRN CSCCCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001316453280 1066337766 /nfs/dbraw/zinc/33/77/66/1066337766.db2.gz IPQDKVYSPWRLLA-FQEVSTJZSA-N 0 0 478.732 4.495 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccccc1Cl ZINC001316453165 1066337794 /nfs/dbraw/zinc/33/77/94/1066337794.db2.gz ZCJXDYJEBIFWCQ-SBUREZEXSA-N 0 0 460.047 4.403 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1csc(C)n1 ZINC001316453162 1066337815 /nfs/dbraw/zinc/33/78/15/1066337815.db2.gz ZAZVRTKAMKZTHY-YWZLYKJASA-N 0 0 459.641 4.376 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](c4ccccc4C)C3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492509669 1066337867 /nfs/dbraw/zinc/33/78/67/1066337867.db2.gz UYFDQWHRCLKTOZ-QTYPKTMWSA-N 0 0 451.640 4.498 20 0 JIADRN CSCCCCCn1c(-c2cnccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001316453573 1066338280 /nfs/dbraw/zinc/33/82/80/1066338280.db2.gz HRMZHXYPOXWRNF-UHFFFAOYSA-N 0 0 474.581 4.035 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCNc2nccc(C(F)(F)F)n2)n1 ZINC001492509774 1066338861 /nfs/dbraw/zinc/33/88/61/1066338861.db2.gz XQIOKTBQDRNDFX-HNNXBMFYSA-N 0 0 474.535 4.442 20 0 JIADRN CSCCCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001316453604 1066338708 /nfs/dbraw/zinc/33/87/08/1066338708.db2.gz IAFJDEYFNOSFOG-UHFFFAOYSA-N 0 0 458.676 4.046 20 0 JIADRN CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(Br)c2C1 ZINC001316453735 1066338841 /nfs/dbraw/zinc/33/88/41/1066338841.db2.gz DCRWRQWUZGLJTC-UHFFFAOYSA-N 0 0 492.487 4.373 20 0 JIADRN CSCCCCCn1c(-c2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001316453638 1066338859 /nfs/dbraw/zinc/33/88/59/1066338859.db2.gz ILOOVSZDLVAQKX-UHFFFAOYSA-N 0 0 463.533 4.245 20 0 JIADRN CSCCCCCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001316453814 1066338916 /nfs/dbraw/zinc/33/89/16/1066338916.db2.gz MMTOXQWGJUCANK-SFHVURJKSA-N 0 0 475.684 4.363 20 0 JIADRN CSCCCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 ZINC001316453927 1066339262 /nfs/dbraw/zinc/33/92/62/1066339262.db2.gz PYMPCIOKNBWCQR-UHFFFAOYSA-N 0 0 469.634 4.433 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2)n1 ZINC001492510134 1066340374 /nfs/dbraw/zinc/34/03/74/1066340374.db2.gz IMZLJGFRLNNBEL-NRFANRHFSA-N 0 0 480.588 4.476 20 0 JIADRN CSCCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)on1 ZINC001316455481 1066343429 /nfs/dbraw/zinc/34/34/29/1066343429.db2.gz IPRRZDNZIFLPAQ-LJQANCHMSA-N 0 0 494.662 4.053 20 0 JIADRN CSCCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001316455482 1066343560 /nfs/dbraw/zinc/34/35/60/1066343560.db2.gz IQSFRSRVWHAURY-SBUREZEXSA-N 0 0 492.715 4.271 20 0 JIADRN COC(=O)[C@@](C)(NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccccc1 ZINC001329693415 1066343628 /nfs/dbraw/zinc/34/36/28/1066343628.db2.gz VMXJJPBJOQHGER-LOPAWYLXSA-N 0 0 464.518 4.097 20 0 JIADRN CSCCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001316455618 1066343939 /nfs/dbraw/zinc/34/39/39/1066343939.db2.gz XIWRAHRGBFDUFE-QUCCMNQESA-N 0 0 474.650 4.007 20 0 JIADRN CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001316455906 1066344596 /nfs/dbraw/zinc/34/45/96/1066344596.db2.gz ZDOKSLXWOJWBDL-VAMGGRTRSA-N 0 0 454.706 4.263 20 0 JIADRN 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JIADRN COc1ccc([C@H](NC(=O)N2CCCN(Cc3cc(C)on3)CC2)c2ccc(F)cc2)cc1 ZINC001338131529 1066533256 /nfs/dbraw/zinc/53/32/56/1066533256.db2.gz QMPFBWQETCOOAJ-XMMPIXPASA-N 0 0 452.530 4.138 20 0 JIADRN Fc1ccc(Cc2nnc(N3CCN(CC(F)F)CC3)n2CCOC2CCCCCC2)cc1 ZINC001316523480 1066533221 /nfs/dbraw/zinc/53/32/21/1066533221.db2.gz PHPALZLZKMQBTA-UHFFFAOYSA-N 0 0 465.564 4.135 20 0 JIADRN Fc1cccc(CN(C[C@@H]2CCCO2)c2nnc([C@@H]3CCOC3)n2CCCC(F)(F)F)c1 ZINC001316523851 1066534350 /nfs/dbraw/zinc/53/43/50/1066534350.db2.gz IABSGXFBXCPRMB-MJGOQNOKSA-N 0 0 456.484 4.449 20 0 JIADRN Fc1ccc(C[C@H]2CCN(c3nnc([C@H]4CCCOC4)n3CCCOC(F)(F)F)C2)cc1 ZINC001316523820 1066534534 /nfs/dbraw/zinc/53/45/34/1066534534.db2.gz VYUHDFNJHSFANP-MSOLQXFVSA-N 0 0 456.484 4.307 20 0 JIADRN Fc1ccc(OC2CCN(c3nnc(-c4cnccn4)n3CCCC(F)(F)F)CC2)c(F)c1 ZINC001316523949 1066534999 /nfs/dbraw/zinc/53/49/99/1066534999.db2.gz BUXGCXQJBJSUCL-UHFFFAOYSA-N 0 0 468.430 4.404 20 0 JIADRN Fc1cccc([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC(F)(F)F)CCO2)c1 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Cc1ccc(CN(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)[C@@H]2CCc3ccccc32)cc1 ZINC001338278005 1066542851 /nfs/dbraw/zinc/54/28/51/1066542851.db2.gz XEDJVYKMYIDSDP-IRPSRAIASA-N 0 0 482.584 4.449 20 0 JIADRN O=C(NCc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1)c1cccs1 ZINC001338290218 1066543460 /nfs/dbraw/zinc/54/34/60/1066543460.db2.gz QQEBPFHTIWNNRB-QHCPKHFHSA-N 0 0 459.571 4.266 20 0 JIADRN Fc1cccc(F)c1Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CC(F)(F)F ZINC001316527366 1066543589 /nfs/dbraw/zinc/54/35/89/1066543589.db2.gz YYNSAPJYOXDMMJ-CYBMUJFWSA-N 0 0 471.405 4.291 20 0 JIADRN Fc1ccccc1OCc1nnc(N2CCC=C(Br)C2)n1CCCOC(F)F ZINC001316527254 1066543676 /nfs/dbraw/zinc/54/36/76/1066543676.db2.gz WEVNCCAGPOGOBI-UHFFFAOYSA-N 0 0 461.282 4.114 20 0 JIADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4nc(C5CC5)n(-c5ccccc5)n4)CC3)n2)cc1 ZINC001338307250 1066544675 /nfs/dbraw/zinc/54/46/75/1066544675.db2.gz ODRGYCCZJZNBOW-IBGZPJMESA-N 0 0 483.576 4.022 20 0 JIADRN 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ZINC001300763096 1067303120 /nfs/dbraw/zinc/30/31/20/1067303120.db2.gz RWKYKIXABFOEGQ-AWEZNQCLSA-N 0 0 466.380 4.275 20 0 JIADRN CC[C@@H](C)n1nccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC001352160984 1067303361 /nfs/dbraw/zinc/30/33/61/1067303361.db2.gz MGXZXGFKVGPEOR-LJQANCHMSA-N 0 0 458.628 4.049 20 0 JIADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCc2cn3c(n2)CCCC3)cc1OC ZINC001322580571 1067303561 /nfs/dbraw/zinc/30/35/61/1067303561.db2.gz TWBSXTCSFZQXKD-UHFFFAOYSA-N 0 0 471.561 4.062 20 0 JIADRN O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC001352164663 1067304122 /nfs/dbraw/zinc/30/41/22/1067304122.db2.gz KFZFXOFVWWLATG-HKWRFOASSA-N 0 0 451.939 4.493 20 0 JIADRN COc1cccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)CC2)c1 ZINC001322580862 1067304196 /nfs/dbraw/zinc/30/41/96/1067304196.db2.gz GKMJPNIYMKNJBZ-UHFFFAOYSA-N 0 0 464.587 4.068 20 0 JIADRN CC(C)(C)C1CCC2(CC(=O)N(CN3CCC([C@@H]4c5ccccc5NC4=O)CC3)C2=O)CC1 ZINC001322588080 1067304221 /nfs/dbraw/zinc/30/42/21/1067304221.db2.gz AUFXJWJUJCMWHY-AHKKLNPASA-N 0 0 451.611 4.373 20 0 JIADRN Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)s2)cc1 ZINC001322591604 1067304537 /nfs/dbraw/zinc/30/45/37/1067304537.db2.gz QUYJMYVEONEATO-UHFFFAOYSA-N 0 0 455.547 4.493 20 0 JIADRN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC001352166210 1067305015 /nfs/dbraw/zinc/30/50/15/1067305015.db2.gz DHARTRQHNGYWDM-UHFFFAOYSA-N 0 0 454.313 4.371 20 0 JIADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2)C1 ZINC001322599387 1067305108 /nfs/dbraw/zinc/30/51/08/1067305108.db2.gz FANUHXXZAWTVED-IBGZPJMESA-N 0 0 489.447 4.090 20 0 JIADRN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001322600009 1067305146 /nfs/dbraw/zinc/30/51/46/1067305146.db2.gz IYXCVMGVELOZLY-UHFFFAOYSA-N 0 0 496.479 4.273 20 0 JIADRN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1Br ZINC001354959654 1067305496 /nfs/dbraw/zinc/30/54/96/1067305496.db2.gz PIGKCAJURXREEL-QGZVFWFLSA-N 0 0 451.748 4.425 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC001322602930 1067305702 /nfs/dbraw/zinc/30/57/02/1067305702.db2.gz XRTQLQSHXWMKKI-UHFFFAOYSA-N 0 0 466.567 4.126 20 0 JIADRN Cc1ccc(C(=O)Nc2ccccc2Sc2nncn2C)cc1I ZINC001352173740 1067306023 /nfs/dbraw/zinc/30/60/23/1067306023.db2.gz LQSRYZGRSIUBNY-UHFFFAOYSA-N 0 0 450.305 4.132 20 0 JIADRN Cc1sc(=O)n(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1-c1ccccc1 ZINC001354962201 1067306265 /nfs/dbraw/zinc/30/62/65/1067306265.db2.gz IGWYJERMRQJSNT-UHFFFAOYSA-N 0 0 455.967 4.413 20 0 JIADRN COc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1OC(F)F ZINC001352183214 1067306565 /nfs/dbraw/zinc/30/65/65/1067306565.db2.gz DSWODPCEGGTKMG-DLBZAZTESA-N 0 0 454.514 4.433 20 0 JIADRN C[C@H](C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001300764953 1067306554 /nfs/dbraw/zinc/30/65/54/1067306554.db2.gz QGUBVAADQQNPER-MNPDLOSFSA-N 0 0 479.621 4.000 20 0 JIADRN CO[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCNc2ccccn2)C1 ZINC001300765109 1067306783 /nfs/dbraw/zinc/30/67/83/1067306783.db2.gz YEQROYBHGVAEIR-KRWDZBQOSA-N 0 0 471.403 4.220 20 0 JIADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NCC(=O)Nc3cccc4ccccc43)cc2)c1 ZINC001352186298 1067307060 /nfs/dbraw/zinc/30/70/60/1067307060.db2.gz JGHSBKQVUIAYLB-UHFFFAOYSA-N 0 0 451.526 4.447 20 0 JIADRN CC(C)c1nc(C(=O)N(c2ccc(N3CCOCC3)cc2)C(C)C)nn1-c1ccccc1F ZINC001352186528 1067307156 /nfs/dbraw/zinc/30/71/56/1067307156.db2.gz MQTKXDNIDHBZOI-UHFFFAOYSA-N 0 0 451.546 4.422 20 0 JIADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001352187740 1067307463 /nfs/dbraw/zinc/30/74/63/1067307463.db2.gz FKHMMYBOMYTKRO-MSOLQXFVSA-N 0 0 457.260 4.137 20 0 JIADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)Cc3cc(Cl)cc(Cl)c3)n(C)c2)C1 ZINC001354964241 1067307755 /nfs/dbraw/zinc/30/77/55/1067307755.db2.gz XCTOLXMPBKCQLN-CQSZACIVSA-N 0 0 458.411 4.025 20 0 JIADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(Cl)c1 ZINC001352194546 1067308026 /nfs/dbraw/zinc/30/80/26/1067308026.db2.gz JKETXRWYBKFKGA-UHFFFAOYSA-N 0 0 457.836 4.473 20 0 JIADRN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1OC ZINC001322698225 1067308077 /nfs/dbraw/zinc/30/80/77/1067308077.db2.gz IUGCFUVOXZZJSD-UHFFFAOYSA-N 0 0 497.617 4.064 20 0 JIADRN Cc1cccc(C)c1OCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492493515 1067308218 /nfs/dbraw/zinc/30/82/18/1067308218.db2.gz VQCCIBUZFZMKIC-YADHBBJMSA-N 0 0 499.656 4.314 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)NCCOCCOCCNC(=O)OC(C)(C)C ZINC001200827747 1067308377 /nfs/dbraw/zinc/30/83/77/1067308377.db2.gz LZWGOWFGIQGIMH-UHFFFAOYSA-N 0 0 466.431 4.146 20 0 JIADRN Cc1cc(C(=O)OCC(=O)Nc2cccc(I)c2)c2ccc(F)cc2n1 ZINC001322770636 1067308462 /nfs/dbraw/zinc/30/84/62/1067308462.db2.gz XZPWZWZBNOSZHF-UHFFFAOYSA-N 0 0 464.234 4.082 20 0 JIADRN Cc1cc(C(=O)OCC(=O)Nc2ccnn2Cc2ccccc2Cl)c2ccc(F)cc2n1 ZINC001322770662 1067308576 /nfs/dbraw/zinc/30/85/76/1067308576.db2.gz YQWNOZSPXHHHBZ-UHFFFAOYSA-N 0 0 452.873 4.376 20 0 JIADRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001354965413 1067308810 /nfs/dbraw/zinc/30/88/10/1067308810.db2.gz KYMHDFPQQBSJAS-UHFFFAOYSA-N 0 0 452.383 4.270 20 0 JIADRN O=C(COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)NCc1ccc(OC(F)F)cc1 ZINC001322814504 1067309329 /nfs/dbraw/zinc/30/93/29/1067309329.db2.gz AFIKKTVMWLJQFL-UHFFFAOYSA-N 0 0 487.478 4.490 20 0 JIADRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=S)Nc1c(C)cc(Cl)cc1Cl ZINC001200828417 1067310046 /nfs/dbraw/zinc/31/00/46/1067310046.db2.gz RAAKHFMPZKQHHG-HIFRSBDPSA-N 0 0 476.426 4.387 20 0 JIADRN C[C@H]1CCc2nc(NC(=O)N3CCN(Cc4nc(-c5ccc(Cl)cc5)no4)CC3)sc2C1 ZINC001322872033 1067310122 /nfs/dbraw/zinc/31/01/22/1067310122.db2.gz MZDRGEDAXJUYPZ-AWEZNQCLSA-N 0 0 473.002 4.321 20 0 JIADRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1cccc(Cn2ccnn2)c1 ZINC001352208950 1067310147 /nfs/dbraw/zinc/31/01/47/1067310147.db2.gz LMAAPLCHGILQHN-HXUWFJFHSA-N 0 0 458.349 4.267 20 0 JIADRN Cc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1NC(=O)c1ccc(Br)cc1 ZINC001322933153 1067311362 /nfs/dbraw/zinc/31/13/62/1067311362.db2.gz FJCMDKKLECPHDH-HNNXBMFYSA-N 0 0 485.334 4.465 20 0 JIADRN CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1 ZINC001322933147 1067311420 /nfs/dbraw/zinc/31/14/20/1067311420.db2.gz FEUHXFSKJCGKNE-MRXNPFEDSA-N 0 0 483.528 4.440 20 0 JIADRN Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)C(C)C)c1C ZINC001322933093 1067311618 /nfs/dbraw/zinc/31/16/18/1067311618.db2.gz AZTYYOQVRSMMMW-HSZRJFAPSA-N 0 0 461.518 4.476 20 0 JIADRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)c1cc2ccccc2o1 ZINC001322934919 1067311998 /nfs/dbraw/zinc/31/19/98/1067311998.db2.gz RFQNGLACPJEDOA-HOTGVXAUSA-N 0 0 473.485 4.208 20 0 JIADRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)c1cc2ccccc2o1 ZINC001322934921 1067312014 /nfs/dbraw/zinc/31/20/14/1067312014.db2.gz RFQNGLACPJEDOA-HZPDHXFCSA-N 0 0 473.485 4.208 20 0 JIADRN CCCCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC001352221879 1067312456 /nfs/dbraw/zinc/31/24/56/1067312456.db2.gz YLHFNYQHUWBVTO-UHFFFAOYSA-N 0 0 457.640 4.077 20 0 JIADRN COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=S)Nc1c(C)cc(Cl)cc1Cl ZINC001200830438 1067312651 /nfs/dbraw/zinc/31/26/51/1067312651.db2.gz XCCJFGNDUONINQ-AWEZNQCLSA-N 0 0 464.415 4.435 20 0 JIADRN C[C@@H]1CN(c2ccc(NC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2F)C[C@H](C)O1 ZINC001322986039 1067312749 /nfs/dbraw/zinc/31/27/49/1067312749.db2.gz FIGKGHGHDHZNBN-GASCZTMLSA-N 0 0 482.478 4.010 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(OC(=O)c2cccc(NC(=O)c3ncoc3C3CC3)c2)CC1 ZINC001352227588 1067312989 /nfs/dbraw/zinc/31/29/89/1067312989.db2.gz MEVMHNYARGOHTG-UHFFFAOYSA-N 0 0 455.511 4.361 20 0 JIADRN Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCCCC(F)(F)C2)n1 ZINC001492494289 1067313285 /nfs/dbraw/zinc/31/32/85/1067313285.db2.gz BFQAXGZHYUREAM-FGTMMUONSA-N 0 0 469.602 4.122 20 0 JIADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCC2(O)CCOCC2)n1 ZINC001492494382 1067313561 /nfs/dbraw/zinc/31/35/61/1067313561.db2.gz BTGZRNTWHGAIIZ-QGZVFWFLSA-N 0 0 457.525 4.056 20 0 JIADRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1nn(-c2ccccc2F)cc1Br ZINC001323089479 1067314540 /nfs/dbraw/zinc/31/45/40/1067314540.db2.gz YTROEPQAQHNKJM-SFHVURJKSA-N 0 0 461.335 4.324 20 0 JIADRN CC(C)(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)c1ccc(Cl)cc1 ZINC001474996134 1067314639 /nfs/dbraw/zinc/31/46/39/1067314639.db2.gz PYKXCDWLBLFTHJ-INIZCTEOSA-N 0 0 459.395 4.313 20 0 JIADRN O=C(OCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC001354978028 1067314780 /nfs/dbraw/zinc/31/47/80/1067314780.db2.gz NVOLZLJPRZKEFJ-UHFFFAOYSA-N 0 0 456.376 4.133 20 0 JIADRN CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1Cl ZINC001474996297 1067314936 /nfs/dbraw/zinc/31/49/36/1067314936.db2.gz SCSCVBJKAXVSHW-LJQANCHMSA-N 0 0 450.988 4.019 20 0 JIADRN O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N(Cc1ccccn1)c1ccc(Cl)cc1 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0 453.631 4.440 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC=C(C)C3)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001300280794 1068072574 /nfs/dbraw/zinc/07/25/74/1068072574.db2.gz DYYWKILSXIIYRV-UHFFFAOYSA-N 0 0 454.600 4.219 20 0 JIADRN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCN(c2ncccc2F)CC1 ZINC001358351172 1068072898 /nfs/dbraw/zinc/07/28/98/1068072898.db2.gz KKAWDRAFKBTXIA-UHFFFAOYSA-N 0 0 453.362 4.131 20 0 JIADRN COc1cccc([C@@H](C)NC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)c1 ZINC001358354107 1068073203 /nfs/dbraw/zinc/07/32/03/1068073203.db2.gz AVCWZOUQIUFWKD-QRWLVFNGSA-N 0 0 456.539 4.256 20 0 JIADRN C[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001358356324 1068073614 /nfs/dbraw/zinc/07/36/14/1068073614.db2.gz CKXMHKANQALBOJ-CQSZACIVSA-N 0 0 459.315 4.357 20 0 JIADRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C(/C)c3ccc(OC)cc3)CC2)cc1 ZINC001353383477 1068074096 /nfs/dbraw/zinc/07/40/96/1068074096.db2.gz ZTNNRCCZZHSKHG-HQMFNGAOSA-N 0 0 456.608 4.145 20 0 JIADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)nc(C)c3)[C@H]2c2ccccc2OC)cc1 ZINC001358360390 1068074255 /nfs/dbraw/zinc/07/42/55/1068074255.db2.gz MEUVJHFDHQGWHY-ZEQKJWHPSA-N 0 0 459.546 4.261 20 0 JIADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001358361247 1068074598 /nfs/dbraw/zinc/07/45/98/1068074598.db2.gz IKJVZRXQWSIDLS-UHFFFAOYSA-N 0 0 452.376 4.272 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC(C)(C)SC)cc1 ZINC001300281894 1068074962 /nfs/dbraw/zinc/07/49/62/1068074962.db2.gz FAVAWBDLZLZSLI-GOSISDBHSA-N 0 0 489.686 4.138 20 0 JIADRN CCc1c(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cnn1-c1ccccc1C ZINC001358363107 1068075072 /nfs/dbraw/zinc/07/50/72/1068075072.db2.gz NPLUGMWKTKQGBD-FQEVSTJZSA-N 0 0 459.594 4.490 20 0 JIADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2nc(Br)ccc2F)c1 ZINC001358365870 1068075666 /nfs/dbraw/zinc/07/56/66/1068075666.db2.gz SMKSAEHJDAKULM-UHFFFAOYSA-N 0 0 454.296 4.139 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@](C)(O)c2cccs2)cc1 ZINC001300282379 1068076060 /nfs/dbraw/zinc/07/60/60/1068076060.db2.gz IYZLFWQGSGTARV-WAIKUNEKSA-N 0 0 478.565 4.316 20 0 JIADRN Cc1ccc(C[C@H]2CCCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC001353388376 1068078736 /nfs/dbraw/zinc/07/87/36/1068078736.db2.gz PBIFUPBZEYWUQX-HXUWFJFHSA-N 0 0 454.617 4.298 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCC[C@H](n3cncn3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492565443 1068079294 /nfs/dbraw/zinc/07/92/94/1068079294.db2.gz DZHSUCWPZJRIDS-RBBKRZOGSA-N 0 0 494.644 4.236 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2Cc2ccsc2)cc1 ZINC001300283945 1068079779 /nfs/dbraw/zinc/07/97/79/1068079779.db2.gz OYQZCYSAYWKEMO-UHFFFAOYSA-N 0 0 461.385 4.464 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@H]2CCCC2(C)C)cc1 ZINC001300284078 1068080324 /nfs/dbraw/zinc/08/03/24/1068080324.db2.gz LFCQQGAENQUGIT-NHCUHLMSSA-N 0 0 469.630 4.045 20 0 JIADRN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001358394272 1068081357 /nfs/dbraw/zinc/08/13/57/1068081357.db2.gz GKQGNMKAJRUWKB-LBPRGKRZSA-N 0 0 450.720 4.053 20 0 JIADRN COCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1Cl ZINC001358395370 1068081856 /nfs/dbraw/zinc/08/18/56/1068081856.db2.gz ZPHFVXVCQMVSBV-XOBRGWDASA-N 0 0 455.313 4.316 20 0 JIADRN COc1ccc(/C=C(\C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c2cccs2)cc1 ZINC001358398492 1068082049 /nfs/dbraw/zinc/08/20/49/1068082049.db2.gz NJGGHZVPFDDYCP-QNGOZBTKSA-N 0 0 457.573 4.359 20 0 JIADRN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cc(Cl)ccc2F)(c2ccccc2)CC1 ZINC001358398371 1068082236 /nfs/dbraw/zinc/08/22/36/1068082236.db2.gz HVSOFVUZNKCXIK-MRXNPFEDSA-N 0 0 452.979 4.040 20 0 JIADRN O=C(Cc1ccc(Br)c(F)c1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC001353393868 1068082344 /nfs/dbraw/zinc/08/23/44/1068082344.db2.gz BPWANZQACSPQFV-UHFFFAOYSA-N 0 0 450.333 4.216 20 0 JIADRN C[C@H]1CSc2ccccc2N(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC001358400412 1068082547 /nfs/dbraw/zinc/08/25/47/1068082547.db2.gz UVSJHDJQAXWJGL-XCTGESOMSA-N 0 0 456.633 4.474 20 0 JIADRN Cc1ccc(CNC(=S)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 ZINC001200326362 1068082846 /nfs/dbraw/zinc/08/28/46/1068082846.db2.gz DEVKPGIWWHHMDQ-IBGZPJMESA-N 0 0 465.660 4.364 20 0 JIADRN CS(=O)(=O)N1CCN(C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)Cc2ccccc21 ZINC001358406768 1068084106 /nfs/dbraw/zinc/08/41/06/1068084106.db2.gz RCGZCQCBWLGLPC-TWGQIWQCSA-N 0 0 458.889 4.180 20 0 JIADRN COC(=O)c1cccc(CC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c1 ZINC001358409352 1068084436 /nfs/dbraw/zinc/08/44/36/1068084436.db2.gz RVAQKZRAOVLFBQ-UHFFFAOYSA-N 0 0 453.922 4.443 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCc4cc(Cl)cc(F)c43)C2)cc1 ZINC001358411820 1068084865 /nfs/dbraw/zinc/08/48/65/1068084865.db2.gz GYXUVCANKYIBRQ-KRWDZBQOSA-N 0 0 450.963 4.168 20 0 JIADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)c1nc2ccccc2s1 ZINC001353396206 1068084986 /nfs/dbraw/zinc/08/49/86/1068084986.db2.gz DPACHZYIOMKMMT-LBPRGKRZSA-N 0 0 453.383 4.132 20 0 JIADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc(Br)c(C)s1 ZINC001358412588 1068085195 /nfs/dbraw/zinc/08/51/95/1068085195.db2.gz HYOWHVPZOIAKBG-UHFFFAOYSA-N 0 0 458.277 4.373 20 0 JIADRN Cc1cc(NC(=O)Cc2cc[nH]c(=O)c2Br)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001353396919 1068086016 /nfs/dbraw/zinc/08/60/16/1068086016.db2.gz VPQVUKUGTOVNGH-UHFFFAOYSA-N 0 0 455.234 4.244 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@]4(CC=CCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001300286796 1068087103 /nfs/dbraw/zinc/08/71/03/1068087103.db2.gz ZUTOHDAGGRCWTN-AREMUKBSSA-N 0 0 467.614 4.107 20 0 JIADRN COCCN(Cc1ccc(C)cc1C)C(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC ZINC001358417848 1068087196 /nfs/dbraw/zinc/08/71/96/1068087196.db2.gz KMHFXUUQNXBPGP-ATIYNZHBSA-N 0 0 463.578 4.251 20 0 JIADRN Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)nn1-c1nc(C)cc(C)n1 ZINC001358428804 1068089446 /nfs/dbraw/zinc/08/94/46/1068089446.db2.gz NFVIUUXIPPSRTF-UHFFFAOYSA-N 0 0 450.886 4.339 20 0 JIADRN COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)c(OC2CCCC2)c1 ZINC001358433653 1068089742 /nfs/dbraw/zinc/08/97/42/1068089742.db2.gz LXFJCKOJJVIJEF-OAQYLSRUSA-N 0 0 452.595 4.380 20 0 JIADRN O=C(Nc1ccc(Cl)cc1OC(F)F)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001358436599 1068090818 /nfs/dbraw/zinc/09/08/18/1068090818.db2.gz YMGWYBVPNASORV-LBPRGKRZSA-N 0 0 459.276 4.461 20 0 JIADRN CC(C)c1ccnc(N2CCN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)CC2)n1 ZINC001358436411 1068091268 /nfs/dbraw/zinc/09/12/68/1068091268.db2.gz WSOHCOJKTKIKRK-UHFFFAOYSA-N 0 0 456.015 4.192 20 0 JIADRN COC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cnnn3-c3cccc(Cl)c3Cl)cc21 ZINC001353409494 1068091802 /nfs/dbraw/zinc/09/18/02/1068091802.db2.gz QIZRDQBGPIBHHJ-UHFFFAOYSA-N 0 0 459.289 4.380 20 0 JIADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3c(C)ccc(Br)c3C)CC2)c1 ZINC001353410293 1068092274 /nfs/dbraw/zinc/09/22/74/1068092274.db2.gz BPHCWNXWWXSKMW-SFHVURJKSA-N 0 0 459.384 4.126 20 0 JIADRN CC[C@@H](C)[C@@H](NC(=O)Cc1cn2c(C)csc2n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358441659 1068092630 /nfs/dbraw/zinc/09/26/30/1068092630.db2.gz PLOFGHBAWAZFMR-OPAMFIHVSA-N 0 0 453.612 4.017 20 0 JIADRN CC(C)(CN1CCOCC1)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001200330717 1068092965 /nfs/dbraw/zinc/09/29/65/1068092965.db2.gz OHJZIYPZEJDGNS-UHFFFAOYSA-N 0 0 456.440 4.264 20 0 JIADRN COc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCC2(F)CCC2)cc1 ZINC001300290175 1068093218 /nfs/dbraw/zinc/09/32/18/1068093218.db2.gz IPYXLGSROQDJEX-UHFFFAOYSA-N 0 0 485.526 4.222 20 0 JIADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001358445932 1068093415 /nfs/dbraw/zinc/09/34/15/1068093415.db2.gz SCRLRCLSXQGCDF-ACJLOTCBSA-N 0 0 456.812 4.207 20 0 JIADRN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001358445491 1068093480 /nfs/dbraw/zinc/09/34/80/1068093480.db2.gz MMHIAYDVZLHZDY-KRWDZBQOSA-N 0 0 451.748 4.275 20 0 JIADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC001353411273 1068093679 /nfs/dbraw/zinc/09/36/79/1068093679.db2.gz IZFRJYRIEPGLOW-JTHBVZDNSA-N 0 0 452.595 4.414 20 0 JIADRN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC001300290441 1068094394 /nfs/dbraw/zinc/09/43/94/1068094394.db2.gz LQTQPRBAZLPCMN-GOSISDBHSA-N 0 0 452.389 4.268 20 0 JIADRN Cc1ccc(NC(=S)N2CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 ZINC001200331585 1068096215 /nfs/dbraw/zinc/09/62/15/1068096215.db2.gz JUQPXPRYOLEOKH-QFIPXVFZSA-N 0 0 470.035 4.074 20 0 JIADRN CC(C)(C)OC(=O)NCC1(CCNC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC001300291742 1068097235 /nfs/dbraw/zinc/09/72/35/1068097235.db2.gz SZJHWEXYPCLTOP-UHFFFAOYSA-N 0 0 450.630 4.383 20 0 JIADRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001358466019 1068097554 /nfs/dbraw/zinc/09/75/54/1068097554.db2.gz KAWTURRKULRPKJ-KBPBESRZSA-N 0 0 451.445 4.001 20 0 JIADRN CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001200332261 1068097934 /nfs/dbraw/zinc/09/79/34/1068097934.db2.gz CHXUVWMCMHNFDS-NRFANRHFSA-N 0 0 472.651 4.490 20 0 JIADRN 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RJTTXUFLBYUPJG-MUUNZHRXSA-N 0 0 481.685 4.440 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCOc1ncccc1Cl ZINC001359529742 1069820185 /nfs/dbraw/zinc/82/01/85/1069820185.db2.gz FEAXIPXNRNOKQY-KRWDZBQOSA-N 0 0 493.052 4.345 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc2c1OCCCO2 ZINC001359529926 1069820617 /nfs/dbraw/zinc/82/06/17/1069820617.db2.gz LGCNZPKMERHIHU-LJQANCHMSA-N 0 0 499.656 4.427 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001359530163 1069820949 /nfs/dbraw/zinc/82/09/49/1069820949.db2.gz SXBLECIIBDSASR-VWLOTQADSA-N 0 0 475.634 4.109 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001359531792 1069824689 /nfs/dbraw/zinc/82/46/89/1069824689.db2.gz YMFQYLMMMUTSBG-SANMLTNESA-N 0 0 485.604 4.455 20 0 JIADRN CC(C)(C)Cc1nnc(N2CC[C@]3(C2)OCc2ccccc23)n1CCCNC(=O)OC(C)(C)C ZINC001359532687 1069825263 /nfs/dbraw/zinc/82/52/63/1069825263.db2.gz ZJSYGCHWYQGZSJ-AREMUKBSSA-N 0 0 469.630 4.417 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCc3ccc(Br)cc3C2)n1CCNC(=O)C(C)(C)C ZINC001359533158 1069825717 /nfs/dbraw/zinc/82/57/17/1069825717.db2.gz PYVWFXSYSDCERD-UHFFFAOYSA-N 0 0 476.463 4.354 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC1(C)COC1 ZINC001359535522 1069829265 /nfs/dbraw/zinc/82/92/65/1069829265.db2.gz SZMLOPNJYUKROS-KRWDZBQOSA-N 0 0 485.620 4.374 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC1(C)COC1 ZINC001359535523 1069829376 /nfs/dbraw/zinc/82/93/76/1069829376.db2.gz SZMLOPNJYUKROS-QGZVFWFLSA-N 0 0 485.620 4.374 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC[C@@H]1CCOC1 ZINC001359535605 1069829604 /nfs/dbraw/zinc/82/96/04/1069829604.db2.gz VCLCYXKFEXSEIR-IAGOWNOFSA-N 0 0 454.541 4.350 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1CC2(C1)CCOCC2 ZINC001359535535 1069829720 /nfs/dbraw/zinc/82/97/20/1069829720.db2.gz TVRFCPZDZOUQDJ-HXUWFJFHSA-N 0 0 473.706 4.452 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC12CCOCC2 ZINC001359537987 1069833330 /nfs/dbraw/zinc/83/33/30/1069833330.db2.gz YMWCQJPSVUJJAZ-RBUKOAKNSA-N 0 0 461.651 4.177 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H]1Cc2ccccc2O1 ZINC001359535742 1069830413 /nfs/dbraw/zinc/83/04/13/1069830413.db2.gz XYPBPWFFTXKOOS-ROUUACIJSA-N 0 0 452.521 4.418 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001359535746 1069830446 /nfs/dbraw/zinc/83/04/46/1069830446.db2.gz XZZNVPFDACEEQY-NBGIEHNGSA-N 0 0 474.049 4.019 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCc1ccccn1 ZINC001359537907 1069833392 /nfs/dbraw/zinc/83/33/92/1069833392.db2.gz VMMFGBHYBVRJEV-UHFFFAOYSA-N 0 0 467.017 4.120 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359536794 1069831027 /nfs/dbraw/zinc/83/10/27/1069831027.db2.gz ZFGGBQMFPBXXMO-INIZCTEOSA-N 0 0 467.705 4.073 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001359537126 1069831297 /nfs/dbraw/zinc/83/12/97/1069831297.db2.gz LOIUYVIXXPDNGL-IBGZPJMESA-N 0 0 495.640 4.203 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC(C)(C)c1ccccn1 ZINC001359537570 1069832835 /nfs/dbraw/zinc/83/28/35/1069832835.db2.gz FABXQZZEMFGSMR-UHFFFAOYSA-N 0 0 496.606 4.480 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1Cc1nccn1C(F)F ZINC001359537687 1069832968 /nfs/dbraw/zinc/83/29/68/1069832968.db2.gz LCCITHPDUKOUBA-UHFFFAOYSA-N 0 0 491.974 4.122 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCCOC[C@@H]1CCCO1 ZINC001359538795 1069835151 /nfs/dbraw/zinc/83/51/51/1069835151.db2.gz FVPYVZNMXBKIMW-FQEVSTJZSA-N 0 0 476.065 4.432 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359538800 1069835202 /nfs/dbraw/zinc/83/52/02/1069835202.db2.gz FXPOWVJGTNIFMT-UHFFFAOYSA-N 0 0 474.531 4.361 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001359539284 1069836111 /nfs/dbraw/zinc/83/61/11/1069836111.db2.gz ATLYYJPLTBSLSG-SANMLTNESA-N 0 0 484.714 4.168 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(Cc3cscn3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001359539919 1069837176 /nfs/dbraw/zinc/83/71/76/1069837176.db2.gz AHJHXGSBDALJHW-UHFFFAOYSA-N 0 0 476.597 4.295 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCCNc1ccccn1 ZINC001359540314 1069837790 /nfs/dbraw/zinc/83/77/90/1069837790.db2.gz QNWWVAZGRWZLCU-UHFFFAOYSA-N 0 0 465.621 4.225 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCOC3(CCCCC3)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001359543351 1069842098 /nfs/dbraw/zinc/84/20/98/1069842098.db2.gz XCPZMTBPNZWHHC-UHFFFAOYSA-N 0 0 474.671 4.052 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1C[C@](C)(O)C1CC1 ZINC001359541467 1069838869 /nfs/dbraw/zinc/83/88/69/1069838869.db2.gz ABJJVSJEAKPKEP-DVECYGJZSA-N 0 0 464.557 4.207 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001359541791 1069839452 /nfs/dbraw/zinc/83/94/52/1069839452.db2.gz JAAXWTFYWGGTAN-NHCUHLMSSA-N 0 0 495.590 4.098 20 0 JIADRN CC(C)(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001359544379 1069843467 /nfs/dbraw/zinc/84/34/67/1069843467.db2.gz NUVYOFGCALYQFK-PMACEKPBSA-N 0 0 460.644 4.038 20 0 JIADRN CC(C)(C)CCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001359544389 1069843525 /nfs/dbraw/zinc/84/35/25/1069843525.db2.gz NZPZOFAESLKHNR-HNNXBMFYSA-N 0 0 462.392 4.175 20 0 JIADRN CC(C)(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001359544381 1069843668 /nfs/dbraw/zinc/84/36/68/1069843668.db2.gz NUVYOFGCALYQFK-VQTJNVASSA-N 0 0 460.644 4.038 20 0 JIADRN CC(C)(C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001359544859 1069847563 /nfs/dbraw/zinc/84/75/63/1069847563.db2.gz DWYKWVCFTRMPOJ-NRFANRHFSA-N 0 0 457.594 4.448 20 0 JIADRN Cc1ccccc1N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492595498 1069846236 /nfs/dbraw/zinc/84/62/36/1069846236.db2.gz BEYBFJXOCDFPQA-JOCHJYFZSA-N 0 0 498.672 4.064 20 0 JIADRN CC(C)(C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001359544985 1069847900 /nfs/dbraw/zinc/84/79/00/1069847900.db2.gz ILNUSSQVIPOBRU-UHFFFAOYSA-N 0 0 494.644 4.050 20 0 JIADRN CC(C)(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001359545756 1069848872 /nfs/dbraw/zinc/84/88/72/1069848872.db2.gz DTOMYGGPCHACIZ-FQEVSTJZSA-N 0 0 457.594 4.414 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001359550385 1069858851 /nfs/dbraw/zinc/85/88/51/1069858851.db2.gz AJVNVHWEGPJFSD-HXUWFJFHSA-N 0 0 498.516 4.407 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359550650 1069859732 /nfs/dbraw/zinc/85/97/32/1069859732.db2.gz JUQBWTPSMZTPQJ-SFHVURJKSA-N 0 0 499.603 4.348 20 0 JIADRN CC(C)(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001359551892 1069861041 /nfs/dbraw/zinc/86/10/41/1069861041.db2.gz XOFVQEKBZDKUTR-FQEVSTJZSA-N 0 0 455.559 4.217 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001359552152 1069861482 /nfs/dbraw/zinc/86/14/82/1069861482.db2.gz FEBIJFRVCWKBHK-RTBURBONSA-N 0 0 489.611 4.095 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2CCCOC2)CC1 ZINC001359555034 1069867559 /nfs/dbraw/zinc/86/75/59/1069867559.db2.gz FWKQKLMXPAXMCD-CTNGQTDRSA-N 0 0 491.677 4.071 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C\c2ccccc2)CC1 ZINC001359553338 1069863009 /nfs/dbraw/zinc/86/30/09/1069863009.db2.gz YNWZJNWJEMERDW-YFHOEESVSA-N 0 0 480.016 4.337 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCSC2)CC1 ZINC001359553235 1069863030 /nfs/dbraw/zinc/86/30/30/1069863030.db2.gz UOZPYSYBVDBKGT-QGZVFWFLSA-N 0 0 477.078 4.372 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2Cl)CC1 ZINC001359553377 1069863571 /nfs/dbraw/zinc/86/35/71/1069863571.db2.gz AEAHXMNBWMXTJJ-UHFFFAOYSA-N 0 0 491.036 4.401 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCCO2)C1 ZINC001359553557 1069863589 /nfs/dbraw/zinc/86/35/89/1069863589.db2.gz GIVHBIPOZSWLSR-QZTJIDSGSA-N 0 0 494.587 4.313 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCC=CO2)C1 ZINC001359554209 1069864780 /nfs/dbraw/zinc/86/47/80/1069864780.db2.gz DHFYLPLMBVOHAY-MSOLQXFVSA-N 0 0 467.561 4.319 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C2CC2)CC1 ZINC001359554977 1069867619 /nfs/dbraw/zinc/86/76/19/1069867619.db2.gz CYGDUKCSPSSYEH-KRWDZBQOSA-N 0 0 473.540 4.275 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC2(C)C)C1 ZINC001359554333 1069865147 /nfs/dbraw/zinc/86/51/47/1069865147.db2.gz HWTRPLKUZWOARI-FGTMMUONSA-N 0 0 483.604 4.299 20 0 JIADRN CC(C)(C)OC(=O)N1CC(Cn2c(N3CCC(OC4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001359554471 1069865936 /nfs/dbraw/zinc/86/59/36/1069865936.db2.gz MIVPFRMUTYWITD-UHFFFAOYSA-N 0 0 461.651 4.371 20 0 JIADRN CC(C)(C)OC(=O)N1CC(Cn2c(N3CCC(c4ccccc4CO)CC3)nnc2C(C)(C)C)C1 ZINC001359554704 1069866317 /nfs/dbraw/zinc/86/63/17/1069866317.db2.gz SYLGJKSWUCORIS-UHFFFAOYSA-N 0 0 483.657 4.319 20 0 JIADRN CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001359554778 1069866802 /nfs/dbraw/zinc/86/68/02/1069866802.db2.gz VWTIYBZJXNUSCV-VQTJNVASSA-N 0 0 477.650 4.171 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(F)(F)CC3)n2C[C@H]2CCC=CO2)CC1 ZINC001359555374 1069868363 /nfs/dbraw/zinc/86/83/63/1069868363.db2.gz QFNQXCYTDBLIHD-GOSISDBHSA-N 0 0 467.561 4.321 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCc4oncc4C3)n2CCCC(F)(F)F)CC1 ZINC001359555591 1069868933 /nfs/dbraw/zinc/86/89/33/1069868933.db2.gz XUPCPHAFZXBAEX-UHFFFAOYSA-N 0 0 484.523 4.286 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2CCCCCO)C1 ZINC001359555700 1069869639 /nfs/dbraw/zinc/86/96/39/1069869639.db2.gz AILQUEZYIBMCEC-UXHICEINSA-N 0 0 497.631 4.427 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC=CCC3)n2C[C@](C)(O)C2CCCCC2)C1 ZINC001359555749 1069869752 /nfs/dbraw/zinc/86/97/52/1069869752.db2.gz BFYSRFJYGQLWRY-IBVKSMDESA-N 0 0 473.662 4.490 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359557360 1069875372 /nfs/dbraw/zinc/87/53/72/1069875372.db2.gz IIASQOQPOLRSCV-OAQYLSRUSA-N 0 0 498.672 4.447 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001359557759 1069875966 /nfs/dbraw/zinc/87/59/66/1069875966.db2.gz QDGGVDDILHTIIY-ROUUACIJSA-N 0 0 455.607 4.007 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCCC3(C)C)n2CCn2cc(Cl)cn2)C1 ZINC001359556765 1069873296 /nfs/dbraw/zinc/87/32/96/1069873296.db2.gz WGXVGXORJMSGNT-KRWDZBQOSA-N 0 0 478.041 4.322 20 0 JIADRN 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CS(=O)(=O)CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC2(CCCC2)C1 ZINC001316344907 1066095512 /nfs/dbraw/zinc/09/55/12/1066095512.db2.gz GEQGZPMGXZBFJP-UHFFFAOYSA-N 0 0 487.453 4.369 20 0 JIADRN CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C/C=C/c2ccccc2)C1 ZINC001316344719 1066095699 /nfs/dbraw/zinc/09/56/99/1066095699.db2.gz UFNLDWXPJTYTAW-WHWKNOJMSA-N 0 0 493.452 4.106 20 0 JIADRN CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001316347069 1066096340 /nfs/dbraw/zinc/09/63/40/1066096340.db2.gz CCXQIPIQXFTYKL-UHFFFAOYSA-N 0 0 493.054 4.194 20 0 JIADRN CS(=O)(=O)CCN(c1nnc(-c2ccccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC001316346135 1066096370 /nfs/dbraw/zinc/09/63/70/1066096370.db2.gz ARBMMEUGJSXMTC-HOCLYGCPSA-N 0 0 474.524 4.391 20 0 JIADRN CS(=O)(=O)CCN(c1nnc(-c2ccccc2Br)n1CCCC(F)(F)F)C1CC1 ZINC001316346058 1066096444 /nfs/dbraw/zinc/09/64/44/1066096444.db2.gz ABDZKHGCMVTMLJ-UHFFFAOYSA-N 0 0 495.365 4.064 20 0 JIADRN 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/nfs/dbraw/zinc/39/50/67/1066395067.db2.gz QBUYHLBTJGAZFN-IRLDBZIGSA-N 0 0 496.656 4.325 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCOC2CCCC2)C[C@@H]1O ZINC001316480678 1066394938 /nfs/dbraw/zinc/39/49/38/1066394938.db2.gz STIKFVLAFFHRJT-QRWLVFNGSA-N 0 0 481.410 4.403 20 0 JIADRN Cc1cccc([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@](C)(O)CCC(C)C)C2)c1 ZINC001492523765 1066395363 /nfs/dbraw/zinc/39/53/63/1066395363.db2.gz WFOFFRYXOMCZOE-NVQXNPDNSA-N 0 0 453.631 4.004 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@](C)(O)CCC(C)C)C2)c1 ZINC001492523764 1066395534 /nfs/dbraw/zinc/39/55/34/1066395534.db2.gz WFOFFRYXOMCZOE-GJZUVCINSA-N 0 0 453.631 4.004 20 0 JIADRN CSCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001316480866 1066395537 /nfs/dbraw/zinc/39/55/37/1066395537.db2.gz FSADCBXMJLFKBF-HXUWFJFHSA-N 0 0 470.643 4.378 20 0 JIADRN CSCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCc1ccc(Br)cc1 ZINC001316481410 1066396309 /nfs/dbraw/zinc/39/63/09/1066396309.db2.gz 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C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCOc2ccc(Cl)cn2)C[C@@H]1O ZINC001316484204 1066403459 /nfs/dbraw/zinc/40/34/59/1066403459.db2.gz CDPQCWNKACGWRO-KDOFPFPSSA-N 0 0 492.805 4.042 20 0 JIADRN CSC[C@@H](C)C(=O)N1CCC(c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)CC1 ZINC001334875295 1066403711 /nfs/dbraw/zinc/40/37/11/1066403711.db2.gz ZHHLVVITRWSVBA-APWZRJJASA-N 0 0 474.627 4.389 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001316485942 1066405945 /nfs/dbraw/zinc/40/59/45/1066405945.db2.gz NMCYVNDGQNMTSJ-MISYRCLQSA-N 0 0 459.591 4.047 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCOC(F)(F)F)C[C@@H]1F ZINC001316486512 1066407699 /nfs/dbraw/zinc/40/76/99/1066407699.db2.gz CQXAMZCVDMXESK-RISCZKNCSA-N 0 0 451.262 4.428 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCC(=O)NC2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316486519 1066407774 /nfs/dbraw/zinc/40/77/74/1066407774.db2.gz CZJCWORXSSUQBM-HXUWFJFHSA-N 0 0 496.656 4.230 20 0 JIADRN 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C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2cccs2)C[C@H]1C(F)(F)F ZINC001316492077 1066429239 /nfs/dbraw/zinc/42/92/39/1066429239.db2.gz KSIPOJNWZOXUDR-SJLPKXTDSA-N 0 0 493.555 4.026 20 0 JIADRN C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCCCC2=O)C[C@@H]1F ZINC001316492498 1066431113 /nfs/dbraw/zinc/43/11/13/1066431113.db2.gz MYOAIUWCIGDWND-APWZRJJASA-N 0 0 466.026 4.421 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CCCCC2)C[C@H]1C(F)(F)F ZINC001316492536 1066431130 /nfs/dbraw/zinc/43/11/30/1066431130.db2.gz RITNBUDAGODDMK-HZPDHXFCSA-N 0 0 456.484 4.326 20 0 JIADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)C1=NN(c2ccccc2)C(=O)CC1 ZINC001336158586 1066431157 /nfs/dbraw/zinc/43/11/57/1066431157.db2.gz VQFBXJWGIKNVCO-UHFFFAOYSA-N 0 0 456.877 4.145 20 0 JIADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)no1 ZINC001336156004 1066431437 /nfs/dbraw/zinc/43/14/37/1066431437.db2.gz IECBLBRBLJNSJU-SNVBAGLBSA-N 0 0 482.937 4.019 20 0 JIADRN 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ZINC001351291511 1067071316 /nfs/dbraw/zinc/07/13/16/1067071316.db2.gz AULWIKZVKDCPHG-OAHLLOKOSA-N 0 0 457.983 4.291 20 0 JIADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC001351295949 1067071779 /nfs/dbraw/zinc/07/17/79/1067071779.db2.gz MGUKFVFCCJASSK-UHFFFAOYSA-N 0 0 450.875 4.370 20 0 JIADRN COc1ncccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001300705293 1067072305 /nfs/dbraw/zinc/07/23/05/1067072305.db2.gz GJHVSUALKWZZKC-PKOBYXMFSA-N 0 0 490.377 4.143 20 0 JIADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001319302708 1067072245 /nfs/dbraw/zinc/07/22/45/1067072245.db2.gz PXMDKEJZMXOKNJ-UHFFFAOYSA-N 0 0 473.499 4.100 20 0 JIADRN O=C(NCc1ccccc1OCc1ccccc1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001319303497 1067072544 /nfs/dbraw/zinc/07/25/44/1067072544.db2.gz YXTXBUXCORCMQV-UHFFFAOYSA-N 0 0 483.568 4.483 20 0 JIADRN Cc1ccccc1Oc1ccc(C(=O)NCCNC(=O)c2ccc(Br)cc2)nc1 ZINC001351298435 1067072700 /nfs/dbraw/zinc/07/27/00/1067072700.db2.gz 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COc1ccc([C@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2F)cc1Br ZINC001319782169 1067079587 /nfs/dbraw/zinc/07/95/87/1067079587.db2.gz WYGBDDFLICQKPJ-NSHDSACASA-N 0 0 452.280 4.436 20 0 JIADRN O=C(OCc1ccc(-n2cccn2)cc1)c1cc(Br)nn1-c1ncccc1Cl ZINC001351338456 1067079530 /nfs/dbraw/zinc/07/95/30/1067079530.db2.gz MIZHHAHLJFWETA-UHFFFAOYSA-N 0 0 458.703 4.226 20 0 JIADRN O=C(N=c1ccccn1Cc1ccccc1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001351342597 1067080585 /nfs/dbraw/zinc/08/05/85/1067080585.db2.gz WVWAVXRZNYBNDH-UHFFFAOYSA-N 0 0 451.299 4.365 20 0 JIADRN CCOc1c(Cl)cc(CNC(=O)c2cnc3ncc(Br)cc3c2)cc1OC ZINC001354761639 1067080868 /nfs/dbraw/zinc/08/08/68/1067080868.db2.gz HWZDAODYYZWJHM-UHFFFAOYSA-N 0 0 450.720 4.383 20 0 JIADRN C[C@@H](NC(=O)c1cc(Br)cnc1OCC1CC1)c1cccc(N2CCCC2=O)c1 ZINC001351345637 1067080816 /nfs/dbraw/zinc/08/08/16/1067080816.db2.gz BHBVHYWNTFOHCM-CQSZACIVSA-N 0 0 458.356 4.251 20 0 JIADRN O=C(Nc1nnc2ccc(Cl)nn21)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001319914345 1067080927 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CIEHQDXYTJLTPN-UHFFFAOYSA-N 0 0 471.608 4.244 20 0 JIADRN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c(F)cc1Br ZINC001351355630 1067082607 /nfs/dbraw/zinc/08/26/07/1067082607.db2.gz WDESFNBAFYFCEU-GOSISDBHSA-N 0 0 459.718 4.184 20 0 JIADRN Cc1ccccc1-n1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1C(F)F ZINC001351354887 1067082726 /nfs/dbraw/zinc/08/27/26/1067082726.db2.gz OOAKNPCOPAMICE-NRFANRHFSA-N 0 0 458.484 4.061 20 0 JIADRN O=C(Nc1cccnc1-n1cncn1)c1cccc(Sc2cccc(Br)c2)n1 ZINC001351357357 1067083238 /nfs/dbraw/zinc/08/32/38/1067083238.db2.gz CEEZMJNZBMNHHH-UHFFFAOYSA-N 0 0 453.325 4.223 20 0 JIADRN COc1cc(NC(=O)[C@H](Cc2ccccc2)OC)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001354766734 1067083533 /nfs/dbraw/zinc/08/35/33/1067083533.db2.gz YBLXRRINIFXANQ-GGUMNFRJSA-N 0 0 454.567 4.303 20 0 JIADRN COc1ccc(C(NC(=O)Nc2ccccc2CN2C(=O)CCC2=O)c2ccc(OC)cc2)cc1 ZINC001319967969 1067083676 /nfs/dbraw/zinc/08/36/76/1067083676.db2.gz DUSAESBVQOKMEV-UHFFFAOYSA-N 0 0 473.529 4.264 20 0 JIADRN COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)O1 ZINC001351359819 1067083552 /nfs/dbraw/zinc/08/35/52/1067083552.db2.gz RMTGWIUABJXKEP-BLLLJJGKSA-N 0 0 451.928 4.294 20 0 JIADRN COc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001300710658 1067084354 /nfs/dbraw/zinc/08/43/54/1067084354.db2.gz HGPXNILEBOQNBJ-UHFFFAOYSA-N 0 0 485.514 4.247 20 0 JIADRN O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3cc(Br)c(Cl)s3)C[C@H]21 ZINC001474744351 1067084406 /nfs/dbraw/zinc/08/44/06/1067084406.db2.gz INUTYZBAOXQHDL-ZYHUDNBSSA-N 0 0 452.745 4.106 20 0 JIADRN C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001320012757 1067084628 /nfs/dbraw/zinc/08/46/28/1067084628.db2.gz FOHBNSQQSKVMEK-GBXCKJPGSA-N 0 0 485.584 4.163 20 0 JIADRN O=C(OCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001320014078 1067085058 /nfs/dbraw/zinc/08/50/58/1067085058.db2.gz RSAOBMOHWKKNBX-SFHVURJKSA-N 0 0 461.345 4.326 20 0 JIADRN COc1ncccc1Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(-c3ccccc3)c2)cc1 ZINC001320871945 1067094798 /nfs/dbraw/zinc/09/47/98/1067094798.db2.gz CZUVGOSXVUWPNE-UHFFFAOYSA-N 0 0 452.576 4.323 20 0 JIADRN CO[C@@H](C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)c1ccc(F)cc1 ZINC001351436560 1067094885 /nfs/dbraw/zinc/09/48/85/1067094885.db2.gz IDGFQSHSCJGEEY-RUZDIDTESA-N 0 0 450.510 4.198 20 0 JIADRN Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cccc(C(F)(F)F)n3)cc2)cc1 ZINC001351437482 1067095071 /nfs/dbraw/zinc/09/50/71/1067095071.db2.gz SGKGECNWXGWGCK-UHFFFAOYSA-N 0 0 457.452 4.399 20 0 JIADRN COc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1-c1ccccc1 ZINC001320910869 1067095310 /nfs/dbraw/zinc/09/53/10/1067095310.db2.gz RBJVPFNAUOCGTA-UHFFFAOYSA-N 0 0 473.934 4.215 20 0 JIADRN CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001351438771 1067095355 /nfs/dbraw/zinc/09/53/55/1067095355.db2.gz KJRGWXVXUVSIOM-UHFFFAOYSA-N 0 0 452.523 4.379 20 0 JIADRN COC1CCC(CCn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 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AJZWFBCXTKOKMR-SJKOYZFVSA-N 0 0 455.274 4.271 20 0 JIADRN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001358398031 1068082032 /nfs/dbraw/zinc/08/20/32/1068082032.db2.gz LRQXCXYTEUWBIV-VXKWHMMOSA-N 0 0 450.579 4.461 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001300285074 1068082361 /nfs/dbraw/zinc/08/23/61/1068082361.db2.gz SBXYMULTTDMIAW-LJQANCHMSA-N 0 0 471.602 4.278 20 0 JIADRN COc1c(Br)ccc(F)c1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC001358401265 1068082878 /nfs/dbraw/zinc/08/28/78/1068082878.db2.gz FKKNOXIYCSWNEJ-UHFFFAOYSA-N 0 0 452.320 4.222 20 0 JIADRN CC(C)=CCOc1cccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c1 ZINC001358400577 1068082914 /nfs/dbraw/zinc/08/29/14/1068082914.db2.gz WONQIBXGIRINPT-QFIPXVFZSA-N 0 0 457.368 4.036 20 0 JIADRN O=C(CCSc1ccc(Cl)cc1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001358400469 1068082927 /nfs/dbraw/zinc/08/29/27/1068082927.db2.gz VPIYEWKEQLUSAT-SFHVURJKSA-N 0 0 453.789 4.284 20 0 JIADRN Cc1ccc(Br)nc1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC001353394849 1068083009 /nfs/dbraw/zinc/08/30/09/1068083009.db2.gz JTSKIMVYLGWYPC-UHFFFAOYSA-N 0 0 455.150 4.004 20 0 JIADRN CC(C)(C)n1cc(Br)c(C(=O)NCc2cccc(COC3CCOCC3)c2)n1 ZINC001358402194 1068083504 /nfs/dbraw/zinc/08/35/04/1068083504.db2.gz ZIEPRLODMNNBQT-UHFFFAOYSA-N 0 0 450.377 4.026 20 0 JIADRN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccc(Br)cc1C(F)(F)F ZINC001358402052 1068083566 /nfs/dbraw/zinc/08/35/66/1068083566.db2.gz GJWLLUZVKOKJDD-UHFFFAOYSA-N 0 0 455.274 4.454 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001300285342 1068083652 /nfs/dbraw/zinc/08/36/52/1068083652.db2.gz NYAWZENJYCKJDQ-NQIIRXRSSA-N 0 0 473.618 4.404 20 0 JIADRN COc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC001358403771 1068083855 /nfs/dbraw/zinc/08/38/55/1068083855.db2.gz YTEOHJVUZQQODD-UHFFFAOYSA-N 0 0 452.106 4.053 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CCC[C@H]2OC)cc1 ZINC001300285514 1068084051 /nfs/dbraw/zinc/08/40/51/1068084051.db2.gz WNZOFOSVQRJOKH-ABSDTBQOSA-N 0 0 468.520 4.460 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H]3CSC)n2C[C@](C)(O)c2cccs2)cc1 ZINC001300285438 1068084070 /nfs/dbraw/zinc/08/40/70/1068084070.db2.gz OXTXYEOPRBICJH-SBUREZEXSA-N 0 0 474.652 4.167 20 0 JIADRN COc1ccc(C(=O)NC(C)(C)Cc2ccccc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC001358409743 1068084401 /nfs/dbraw/zinc/08/44/01/1068084401.db2.gz XHVIOXZBACSQCE-UHFFFAOYSA-N 0 0 458.624 4.319 20 0 JIADRN CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC001358410631 1068084820 /nfs/dbraw/zinc/08/48/20/1068084820.db2.gz LCLHCTTYXYTPCN-MFKICJERSA-N 0 0 453.505 4.189 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](CNC(C)=O)C3)n2CCC2=CCCCC2)cc1 ZINC001300285782 1068084835 /nfs/dbraw/zinc/08/48/35/1068084835.db2.gz SCXZYKLRNBHCCS-JOCHJYFZSA-N 0 0 467.614 4.109 20 0 JIADRN CCN1C(=O)C[C@H](C(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)[C@H]1c1cccnc1 ZINC001358413880 1068085648 /nfs/dbraw/zinc/08/56/48/1068085648.db2.gz DQNPHLQPUNFSAH-ZSOFBXJNSA-N 0 0 460.456 4.201 20 0 JIADRN CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2ccc(-c3cccs3)o2)CC1 ZINC001358416357 1068086453 /nfs/dbraw/zinc/08/64/53/1068086453.db2.gz IGDJDUWDZIDKRB-UHFFFAOYSA-N 0 0 459.612 4.015 20 0 JIADRN C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC001358416912 1068086699 /nfs/dbraw/zinc/08/66/99/1068086699.db2.gz PIZDQEIWMZHREJ-SFHVURJKSA-N 0 0 458.986 4.499 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCCC(C)(C)C)cc1 ZINC001300286799 1068087010 /nfs/dbraw/zinc/08/70/10/1068087010.db2.gz ZVZSYCVRKXCOCV-LJQANCHMSA-N 0 0 453.591 4.125 20 0 JIADRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c(C)cc1Br ZINC001353398586 1068087193 /nfs/dbraw/zinc/08/71/93/1068087193.db2.gz JAMXAYKHJYMCMJ-MRXNPFEDSA-N 0 0 452.370 4.271 20 0 JIADRN COCCN(Cc1ccc(C)cc1C)C(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC001358419027 1068087722 /nfs/dbraw/zinc/08/77/22/1068087722.db2.gz XNVZAVKLVNZXCX-AZGAKELHSA-N 0 0 450.579 4.039 20 0 JIADRN C[C@@H](c1ccco1)N(C)C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC001353401462 1068088990 /nfs/dbraw/zinc/08/89/90/1068088990.db2.gz FIGMYEIFERPSLG-KRWDZBQOSA-N 0 0 452.536 4.403 20 0 JIADRN CC[C@@H](OC(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1)c1cccc(Br)c1 ZINC001358426804 1068089074 /nfs/dbraw/zinc/08/90/74/1068089074.db2.gz YEEVGGKCNROMKZ-CABCVRRESA-N 0 0 457.415 4.499 20 0 JIADRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001353402169 1068089336 /nfs/dbraw/zinc/08/93/36/1068089336.db2.gz PYOFYAKPACYYPD-CQSZACIVSA-N 0 0 458.427 4.484 20 0 JIADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001358432448 1068090008 /nfs/dbraw/zinc/09/00/08/1068090008.db2.gz CFHAEKIKMHYPTN-HSZRJFAPSA-N 0 0 450.623 4.474 20 0 JIADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)cc1 ZINC001353406589 1068090328 /nfs/dbraw/zinc/09/03/28/1068090328.db2.gz UGRDEIPAXCRJAI-QGZVFWFLSA-N 0 0 451.954 4.203 20 0 JIADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 ZINC001353410297 1068092426 /nfs/dbraw/zinc/09/24/26/1068092426.db2.gz BSQHDUXBNONURX-SFHVURJKSA-N 0 0 458.986 4.198 20 0 JIADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC001358449293 1068094400 /nfs/dbraw/zinc/09/44/00/1068094400.db2.gz JUZDZTKEFKGRHV-CYBMUJFWSA-N 0 0 456.374 4.243 20 0 JIADRN Cc1ccc(NC(=S)N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(C)CC4)[C@@H]3C2)c(Cl)c1 ZINC001200331092 1068094727 /nfs/dbraw/zinc/09/47/27/1068094727.db2.gz CSBLHIKOVICQSD-QRVBRYPASA-N 0 0 450.048 4.188 20 0 JIADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc(-c4ccccc4Cl)on3)CC2)c1 ZINC001353412144 1068095528 /nfs/dbraw/zinc/09/55/28/1068095528.db2.gz ROOIPMUYWMGMPT-QGZVFWFLSA-N 0 0 453.926 4.055 20 0 JIADRN O=C(C(=O)N(CCCOc1ccccc1)C1CCOCC1)c1ccc(Br)s1 ZINC001358459950 1068096498 /nfs/dbraw/zinc/09/64/98/1068096498.db2.gz DTGDBONTTAAESZ-UHFFFAOYSA-N 0 0 452.370 4.170 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cc(C(F)(F)F)ccc3F)nn2)C1 ZINC001358464968 1068097102 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AKVUHXCKAJKZJO-FCEUIQTBSA-N 0 0 452.599 4.492 20 0 JIADRN Cc1ccc(NC(=S)N2CCC3(CC2)OCC(=O)N(Cc2cccnc2)[C@H]3C)c(Cl)c1 ZINC001200333302 1068099596 /nfs/dbraw/zinc/09/95/96/1068099596.db2.gz DGGKQSRNEMPFLZ-KRWDZBQOSA-N 0 0 459.015 4.022 20 0 JIADRN CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCN(CC(=O)C(C)(C)C)CC1 ZINC001200333374 1068099739 /nfs/dbraw/zinc/09/97/39/1068099739.db2.gz PMZMKZXHTKLQGA-UHFFFAOYSA-N 0 0 452.661 4.131 20 0 JIADRN COc1ccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001300293123 1068099830 /nfs/dbraw/zinc/09/98/30/1068099830.db2.gz VXMWRTRKUFKKMP-LJQANCHMSA-N 0 0 450.587 4.001 20 0 JIADRN CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3ccc(Sc4ccccc4)cc3C)ccc21 ZINC001358473169 1068100041 /nfs/dbraw/zinc/10/00/41/1068100041.db2.gz CCYKLSKCYLAFBT-UHFFFAOYSA-N 0 0 459.571 4.424 20 0 JIADRN CC(C)CCCNC(=O)c1cc(I)cc(I)c1 ZINC001358479268 1068102188 /nfs/dbraw/zinc/10/21/88/1068102188.db2.gz GXUZWDPHRUUTKG-UHFFFAOYSA-N 0 0 457.093 4.062 20 0 JIADRN CSc1cc(Br)ccc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001358479291 1068103950 /nfs/dbraw/zinc/10/39/50/1068103950.db2.gz HKMCTBDVUZFYAS-UHFFFAOYSA-N 0 0 451.361 4.345 20 0 JIADRN C[S@@](=O)c1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1F ZINC001353422486 1068105617 /nfs/dbraw/zinc/10/56/17/1068105617.db2.gz JKTVOEBXXUKLIV-AREMUKBSSA-N 0 0 458.334 4.008 20 0 JIADRN O=C([C@H]1Cc2ccccc2O1)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001358481210 1068107863 /nfs/dbraw/zinc/10/78/63/1068107863.db2.gz UANUGXYZTNMNBT-GOSISDBHSA-N 0 0 455.274 4.120 20 0 JIADRN CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 ZINC001358488822 1068111079 /nfs/dbraw/zinc/11/10/79/1068111079.db2.gz GHZNHCCFLMSFRL-UHFFFAOYSA-N 0 0 457.534 4.291 20 0 JIADRN COc1ccc(CN(Cc2ccccc2)C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC001353425454 1068111882 /nfs/dbraw/zinc/11/18/82/1068111882.db2.gz PSGWODBRPZZCMK-QFIPXVFZSA-N 0 0 454.567 4.250 20 0 JIADRN COc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCC=CO2)cc1 ZINC001300294625 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O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164961404 722035271 /nfs/dbraw/zinc/03/52/71/722035271.db2.gz VPNUGEWNZGTTDA-NFBKMPQASA-N 0 0 469.923 4.270 20 0 JIADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164959754 722035391 /nfs/dbraw/zinc/03/53/91/722035391.db2.gz ROGAZNXKCSRLCT-YKSBVNFPSA-N 0 0 499.949 4.278 20 0 JIADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164960315 722035668 /nfs/dbraw/zinc/03/56/68/722035668.db2.gz UMEPZHLIIPLNNL-CVDCTZTESA-N 0 0 460.956 4.477 20 0 JIADRN Cc1nc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc(Cl)c1C ZINC001164957616 722038674 /nfs/dbraw/zinc/03/86/74/722038674.db2.gz BHNWAPAYLYLTDH-FKEKPDDDSA-N 0 0 454.974 4.175 20 0 JIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C[C@@H]21 ZINC001164956932 722046839 /nfs/dbraw/zinc/04/68/39/722046839.db2.gz FCTNBNHZXOCEPA-NHYWBVRUSA-N 0 0 453.276 4.425 20 0 JIADRN 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CSCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001316459857 1066353459 /nfs/dbraw/zinc/35/34/59/1066353459.db2.gz QGTWMIVLMPJTIH-CVEARBPZSA-N 0 0 468.465 4.052 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCCOc2ccccc2)n1 ZINC001492513873 1066354003 /nfs/dbraw/zinc/35/40/03/1066354003.db2.gz LDQAZSAJDHUNOH-JOCHJYFZSA-N 0 0 476.625 4.106 20 0 JIADRN CSCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001316460425 1066354907 /nfs/dbraw/zinc/35/49/07/1066354907.db2.gz AOQSFESEFVBYQG-ROUUACIJSA-N 0 0 454.644 4.471 20 0 JIADRN CSCCCCn1c(CC(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001316460705 1066355971 /nfs/dbraw/zinc/35/59/71/1066355971.db2.gz KGPDAKZAKRLBDO-UHFFFAOYSA-N 0 0 450.052 4.122 20 0 JIADRN CSCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001316461034 1066356350 /nfs/dbraw/zinc/35/63/50/1066356350.db2.gz NMDVGOZTWDUEQU-INIZCTEOSA-N 0 0 450.477 4.058 20 0 JIADRN CSCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001316460965 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KWKDVYDRQXKLTD-UHFFFAOYSA-N 0 0 477.078 4.366 20 0 JIADRN CSCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001316461998 1066358522 /nfs/dbraw/zinc/35/85/22/1066358522.db2.gz NCZJSCKHOLQSLJ-SFHVURJKSA-N 0 0 460.648 4.237 20 0 JIADRN Cc1cccc(-c2nn(CN3CCC(OCC(N)=O)CC3)c(=S)n2[C@H]2CCCC[C@H]2C)c1 ZINC001331351704 1066358773 /nfs/dbraw/zinc/35/87/73/1066358773.db2.gz NWYQRFVKMSLATG-NQIIRXRSSA-N 0 0 457.644 4.065 20 0 JIADRN COC(=O)N1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001331326043 1066358791 /nfs/dbraw/zinc/35/87/91/1066358791.db2.gz KPLQWUNAQNLLGC-UHFFFAOYSA-N 0 0 482.581 4.257 20 0 JIADRN CSCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001316462272 1066359221 /nfs/dbraw/zinc/35/92/21/1066359221.db2.gz GZFFNAYHGIPYRF-KRWDZBQOSA-N 0 0 466.598 4.082 20 0 JIADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC001331366857 1066359424 /nfs/dbraw/zinc/35/94/24/1066359424.db2.gz ZFZMVWZCQWTBKE-UHFFFAOYSA-N 0 0 486.503 4.160 20 0 JIADRN 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ZINC001348056237 1066716788 /nfs/dbraw/zinc/71/67/88/1066716788.db2.gz IYLXDJMMTPVSLZ-UHFFFAOYSA-N 0 0 451.520 4.208 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C\c1ccccc1OCc1ccccc1 ZINC001348056688 1066716874 /nfs/dbraw/zinc/71/68/74/1066716874.db2.gz KBXOKCDPVKPYQL-PEZBUJJGSA-N 0 0 450.560 4.476 20 0 JIADRN C[C@H](OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001317832351 1066717380 /nfs/dbraw/zinc/71/73/80/1066717380.db2.gz FDMBUJCDSKHTBB-INIZCTEOSA-N 0 0 484.512 4.253 20 0 JIADRN Cc1ccc(NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1S(=O)(=O)N1CCCCCC1 ZINC001348058072 1066717371 /nfs/dbraw/zinc/71/73/71/1066717371.db2.gz UMCZTWQZJLCJOV-UHFFFAOYSA-N 0 0 458.511 4.058 20 0 JIADRN C[C@H](OC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC001317833097 1066717962 /nfs/dbraw/zinc/71/79/62/1066717962.db2.gz KPPQKSICCXFHEJ-HNNXBMFYSA-N 0 0 488.525 4.347 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001317832917 1066718030 /nfs/dbraw/zinc/71/80/30/1066718030.db2.gz FCHOISWNCKSVJD-UHFFFAOYSA-N 0 0 472.611 4.004 20 0 JIADRN O=C(NCc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC001317833368 1066718450 /nfs/dbraw/zinc/71/84/50/1066718450.db2.gz JNVGWCGBDYVWOU-UHFFFAOYSA-N 0 0 477.590 4.317 20 0 JIADRN C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N1CCN(c2ccccc2)CC1 ZINC001317834386 1066719662 /nfs/dbraw/zinc/71/96/62/1066719662.db2.gz XJJKJAPMNLPNFW-KRWDZBQOSA-N 0 0 469.994 4.281 20 0 JIADRN O=C(Nc1cc2c(cc1Br)OCCO2)C1(c2ccc(F)cc2F)CCOCC1 ZINC001348079258 1066719953 /nfs/dbraw/zinc/71/99/53/1066719953.db2.gz PMNPMQCNUCARRJ-UHFFFAOYSA-N 0 0 454.267 4.185 20 0 JIADRN CCOC(=O)c1sc(NC(=O)c2cn(-c3cccc(F)c3)nc2C)c(C(=O)OCC)c1C ZINC001348101720 1066721343 /nfs/dbraw/zinc/72/13/43/1066721343.db2.gz KUTLPHLPGXXJIM-UHFFFAOYSA-N 0 0 459.499 4.295 20 0 JIADRN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc2cccc(F)c2nc1C ZINC001348115905 1066721748 /nfs/dbraw/zinc/72/17/48/1066721748.db2.gz PRAZKCLZCDOCDI-FQEVSTJZSA-N 0 0 452.482 4.002 20 0 JIADRN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC001348118176 1066721936 /nfs/dbraw/zinc/72/19/36/1066721936.db2.gz YGOFDJSAIIDATO-KRWDZBQOSA-N 0 0 455.404 4.164 20 0 JIADRN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC001317837396 1066722201 /nfs/dbraw/zinc/72/22/01/1066722201.db2.gz ZGSLZRUNSXXLPG-UHFFFAOYSA-N 0 0 479.408 4.376 20 0 JIADRN Cc1cccc2c(=O)n(CC(=O)O[C@@H](Cn3ccnc3)c3ccc(Cl)cc3Cl)cnc12 ZINC001348138409 1066722461 /nfs/dbraw/zinc/72/24/61/1066722461.db2.gz ACGYQUFPWHNOGZ-IBGZPJMESA-N 0 0 457.317 4.193 20 0 JIADRN O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001348153144 1066723495 /nfs/dbraw/zinc/72/34/95/1066723495.db2.gz DSFVLHKVIQLAQX-UFZGOCBLSA-N 0 0 456.564 4.125 20 0 JIADRN O=C(COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccc2c(c1)OCCO2 ZINC001317839293 1066723571 /nfs/dbraw/zinc/72/35/71/1066723571.db2.gz VSQZWYZDMVOZDS-UHFFFAOYSA-N 0 0 450.466 4.227 20 0 JIADRN Cc1cc(C)c(-c2csc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)n2)c(C)c1 ZINC001348165106 1066724633 /nfs/dbraw/zinc/72/46/33/1066724633.db2.gz VYMICJJICGFMMV-UHFFFAOYSA-N 0 0 453.564 4.491 20 0 JIADRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317840892 1066724727 /nfs/dbraw/zinc/72/47/27/1066724727.db2.gz IFPZNZMHLHHFMO-UHFFFAOYSA-N 0 0 462.394 4.342 20 0 JIADRN CCCc1c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cnn1C1CCCC1 ZINC001348164226 1066724841 /nfs/dbraw/zinc/72/48/41/1066724841.db2.gz QCFBPUNGJRSQMR-RCCKNPSSSA-N 0 0 452.580 4.417 20 0 JIADRN COc1ccc(NC(=O)C[C@@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 ZINC001348187217 1066726933 /nfs/dbraw/zinc/72/69/33/1066726933.db2.gz CUYIFGGTJQCBNQ-OAHLLOKOSA-N 0 0 452.523 4.280 20 0 JIADRN C[C@H](OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC001317844586 1066727844 /nfs/dbraw/zinc/72/78/44/1066727844.db2.gz YTPMHRMJYHGIDO-HNNXBMFYSA-N 0 0 470.485 4.211 20 0 JIADRN CCOC(=O)c1c(NC(=O)COC(=O)c2[nH]c3ccc(C)cc3c2Cl)oc(C)c1C(C)=O ZINC001317846587 1066728885 /nfs/dbraw/zinc/72/88/85/1066728885.db2.gz PPMHKPPLSJDZOU-UHFFFAOYSA-N 0 0 460.870 4.206 20 0 JIADRN C[C@H](OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC001317846618 1066728928 /nfs/dbraw/zinc/72/89/28/1066728928.db2.gz QHOMHDXPYDPIIC-SBUREZEXSA-N 0 0 482.540 4.483 20 0 JIADRN C[C@H](OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC001317846616 1066728940 /nfs/dbraw/zinc/72/89/40/1066728940.db2.gz QHOMHDXPYDPIIC-GAJHUEQPSA-N 0 0 482.540 4.483 20 0 JIADRN Cn1c(=O)cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)c2ccccc21 ZINC001317846678 1066728957 /nfs/dbraw/zinc/72/89/57/1066728957.db2.gz ONMKWAIDMLTZIV-JCMHNJIXSA-N 0 0 489.597 4.302 20 0 JIADRN COc1cccc(-n2cc(C(=O)Nc3ccc(Br)cc3Br)nn2)c1 ZINC001348232358 1066729227 /nfs/dbraw/zinc/72/92/27/1066729227.db2.gz VAOMCPMOAZAZPV-UHFFFAOYSA-N 0 0 452.106 4.053 20 0 JIADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1 ZINC001348248667 1066730690 /nfs/dbraw/zinc/73/06/90/1066730690.db2.gz ZHYXVEJWIUYGJS-UHFFFAOYSA-N 0 0 452.580 4.137 20 0 JIADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)OCC(=O)c2ccc(O)cc2O)c1 ZINC001317849448 1066731090 /nfs/dbraw/zinc/73/10/90/1066731090.db2.gz ZJDKTFCOFQQRGF-UHFFFAOYSA-N 0 0 484.302 4.081 20 0 JIADRN COc1ccc(C(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC001317850037 1066731231 /nfs/dbraw/zinc/73/12/31/1066731231.db2.gz WUYMIEPNETUXPU-UHFFFAOYSA-N 0 0 473.978 4.427 20 0 JIADRN CNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC001317850364 1066731719 /nfs/dbraw/zinc/73/17/19/1066731719.db2.gz GCIZQHQCIXPBND-SNVBAGLBSA-N 0 0 480.211 4.497 20 0 JIADRN COC(=O)c1ccc(-c2csc(NC(=O)c3cn(-c4ccc(Br)cc4)nn3)n2)cc1 ZINC001317850436 1066731784 /nfs/dbraw/zinc/73/17/84/1066731784.db2.gz HUMKOBKXEHKWEQ-UHFFFAOYSA-N 0 0 484.335 4.192 20 0 JIADRN C[C@@H]1CN(Cc2csc(NC(=O)c3nn(-c4ccccc4F)cc3Br)n2)C[C@H](C)O1 ZINC001317850271 1066731921 /nfs/dbraw/zinc/73/19/21/1066731921.db2.gz AXPFOLLZRAXFPQ-BETUJISGSA-N 0 0 494.390 4.092 20 0 JIADRN Cc1cc(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)no1 ZINC001492545203 1066731774 /nfs/dbraw/zinc/73/17/74/1066731774.db2.gz IFNFNUFGABHEAR-LJQANCHMSA-N 0 0 482.585 4.004 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCOC2)c1 ZINC001492545215 1066731822 /nfs/dbraw/zinc/73/18/22/1066731822.db2.gz IIKAUKCQQDOOIE-LEWJYISDSA-N 0 0 485.629 4.086 20 0 JIADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001317851254 1066732927 /nfs/dbraw/zinc/73/29/27/1066732927.db2.gz PXPQXSSBEKGNLA-OAQYLSRUSA-N 0 0 496.409 4.399 20 0 JIADRN CCc1c(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cnn1-c1ccc(Br)cc1 ZINC001317851468 1066733023 /nfs/dbraw/zinc/73/30/23/1066733023.db2.gz DIYNJCHTYITFQV-UHFFFAOYSA-N 0 0 467.367 4.476 20 0 JIADRN Cc1ccc([C@@H](CNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)N2CCOCC2)o1 ZINC001317851597 1066733636 /nfs/dbraw/zinc/73/36/36/1066733636.db2.gz BRQKTAYGOQZXGZ-JOCHJYFZSA-N 0 0 466.557 4.120 20 0 JIADRN COc1ccc([C@H](CNC(=O)c2cc(OCc3ccccc3)cs2)N2CCOCC2)cc1 ZINC001348286062 1066734019 /nfs/dbraw/zinc/73/40/19/1066734019.db2.gz RVKDTNVKOLEJIL-QHCPKHFHSA-N 0 0 452.576 4.139 20 0 JIADRN CC(C)(C)OC(=O)NCC1(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001348303047 1066734613 /nfs/dbraw/zinc/73/46/13/1066734613.db2.gz RCQWNXMTYHSZCH-UHFFFAOYSA-N 0 0 457.493 4.176 20 0 JIADRN C[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001348306228 1066735574 /nfs/dbraw/zinc/73/55/74/1066735574.db2.gz RZRNDZZRDTYWGG-HXUWFJFHSA-N 0 0 450.604 4.379 20 0 JIADRN Cc1cccc(-n2ccnc2SCC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)c1C ZINC001317856159 1066735751 /nfs/dbraw/zinc/73/57/51/1066735751.db2.gz RQZMEJWEALWYRK-UHFFFAOYSA-N 0 0 476.524 4.146 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)c2)n1 ZINC001317856131 1066735870 /nfs/dbraw/zinc/73/58/70/1066735870.db2.gz XJTJUDIFUUOWOD-KRWDZBQOSA-N 0 0 458.522 4.337 20 0 JIADRN C[C@@H](OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC001317858269 1066737015 /nfs/dbraw/zinc/73/70/15/1066737015.db2.gz LTAFASIHMMHGDV-MRXNPFEDSA-N 0 0 458.493 4.299 20 0 JIADRN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001348339413 1066737627 /nfs/dbraw/zinc/73/76/27/1066737627.db2.gz QBYWYQCHLFJWGH-UHFFFAOYSA-N 0 0 454.979 4.083 20 0 JIADRN CCOc1ccc(CN(C)C(=O)c2nn(-c3ccccc3F)cc2Br)cc1OC ZINC001317858541 1066737733 /nfs/dbraw/zinc/73/77/33/1066737733.db2.gz SGMRNPYYLBIHQT-UHFFFAOYSA-N 0 0 462.319 4.453 20 0 JIADRN COc1cc(CN(C)C(=O)[C@@H](OC)c2ccc(Br)s2)ccc1OC(F)F ZINC001348356000 1066739203 /nfs/dbraw/zinc/73/92/03/1066739203.db2.gz NXDHDBVEZXFJQF-HNNXBMFYSA-N 0 0 450.301 4.467 20 0 JIADRN O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001348372958 1066740651 /nfs/dbraw/zinc/74/06/51/1066740651.db2.gz VONYGSSOUMPONB-UHFFFAOYSA-N 0 0 478.568 4.239 20 0 JIADRN 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/nfs/dbraw/zinc/79/76/82/1066797682.db2.gz GGVKDFSZVRGRQA-UHFFFAOYSA-N 0 0 453.134 4.095 20 0 JIADRN C/C(=C\c1ccc(Br)o1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC001349018196 1066798396 /nfs/dbraw/zinc/79/83/96/1066798396.db2.gz LHVLZZUZRHQYJS-LLLGYDHXSA-N 0 0 459.340 4.252 20 0 JIADRN CCc1ccc([C@@H](NC(=O)COC(=O)c2cc(=O)n(C)c3ccccc23)c2cccs2)cc1 ZINC001317939850 1066798579 /nfs/dbraw/zinc/79/85/79/1066798579.db2.gz UZKYGGHFJVGOAR-RUZDIDTESA-N 0 0 460.555 4.225 20 0 JIADRN COc1cc(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(OC)c1C(C)C ZINC001349020230 1066798665 /nfs/dbraw/zinc/79/86/65/1066798665.db2.gz GGTYQWLCSHNJGD-QHCPKHFHSA-N 0 0 452.551 4.248 20 0 JIADRN CCOc1ccc(-c2nc(COC(=O)c3cc(=O)n(C)c4ccccc34)cs2)cc1OC ZINC001317939942 1066799115 /nfs/dbraw/zinc/79/91/15/1066799115.db2.gz VNDMZNOXNINHDR-UHFFFAOYSA-N 0 0 450.516 4.426 20 0 JIADRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1 ZINC001317939997 1066799205 /nfs/dbraw/zinc/79/92/05/1066799205.db2.gz 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COc1ccccc1-n1c(-c2cccs2)nn(CN2CCN(C(=O)CC(C)C)CC2)c1=S ZINC001317944730 1066802725 /nfs/dbraw/zinc/80/27/25/1066802725.db2.gz UDPRTUFVPRJMAF-UHFFFAOYSA-N 0 0 471.652 4.288 20 0 JIADRN Cc1ccc([C@H](CNC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)N2CCOCC2)o1 ZINC001349067685 1066802921 /nfs/dbraw/zinc/80/29/21/1066802921.db2.gz OINBAWOXDNUVCT-FQEVSTJZSA-N 0 0 453.608 4.482 20 0 JIADRN C[C@@H](Sc1nc2ccsc2c(=O)n1CCCN1CCOCC1)c1ccc(F)c(F)c1 ZINC001317945390 1066803156 /nfs/dbraw/zinc/80/31/56/1066803156.db2.gz JJWDIKSEBWRCCR-CQSZACIVSA-N 0 0 451.564 4.312 20 0 JIADRN COc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1 ZINC001317946050 1066803644 /nfs/dbraw/zinc/80/36/44/1066803644.db2.gz ZDDHPDNHQZGRPN-HNNXBMFYSA-N 0 0 488.334 4.491 20 0 JIADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(F)c3)cc2)C1 ZINC001349072142 1066803875 /nfs/dbraw/zinc/80/38/75/1066803875.db2.gz IJNHNOVNWUCQCV-GASCZTMLSA-N 0 0 454.951 4.163 20 0 JIADRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001349073729 1066804346 /nfs/dbraw/zinc/80/43/46/1066804346.db2.gz QSERXOMWDHGRAX-QZTJIDSGSA-N 0 0 452.580 4.100 20 0 JIADRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC001317947164 1066804711 /nfs/dbraw/zinc/80/47/11/1066804711.db2.gz IXDUCWGMTASWJS-MHECFPHRSA-N 0 0 460.555 4.321 20 0 JIADRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC001317947162 1066804774 /nfs/dbraw/zinc/80/47/74/1066804774.db2.gz IXDUCWGMTASWJS-HOYKHHGWSA-N 0 0 460.555 4.321 20 0 JIADRN C[C@@H](OC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001317951125 1066806515 /nfs/dbraw/zinc/80/65/15/1066806515.db2.gz YVFTUKMGYQFOQJ-CYBMUJFWSA-N 0 0 475.423 4.377 20 0 JIADRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317951038 1066806529 /nfs/dbraw/zinc/80/65/29/1066806529.db2.gz UFMIQBNXODNTCI-CQSZACIVSA-N 0 0 459.424 4.256 20 0 JIADRN O=C(Nc1cccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c1)[C@@H]1Cc2ccccc2O1 ZINC001317951134 1066806581 /nfs/dbraw/zinc/80/65/81/1066806581.db2.gz ZEWRRLDUDQLNJY-VWLOTQADSA-N 0 0 470.525 4.222 20 0 JIADRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)CC2c3ccccc3Oc3ccccc32)CC1 ZINC001317951634 1066806934 /nfs/dbraw/zinc/80/69/34/1066806934.db2.gz FNPMAIXIXINNIN-UHFFFAOYSA-N 0 0 478.589 4.258 20 0 JIADRN C[C@H](OC(=O)c1nn(-c2ccccc2F)cc1Br)C(=O)Nc1cc(F)ccc1F ZINC001317954445 1066808820 /nfs/dbraw/zinc/80/88/20/1066808820.db2.gz QPOYPVPGDXOJDP-JTQLQIEISA-N 0 0 468.229 4.236 20 0 JIADRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001317954810 1066809617 /nfs/dbraw/zinc/80/96/17/1066809617.db2.gz LFLRHARIVIGEQV-LBPRGKRZSA-N 0 0 463.968 4.142 20 0 JIADRN COC(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)c(F)c1 ZINC001349110274 1066809984 /nfs/dbraw/zinc/80/99/84/1066809984.db2.gz MWMHHTKRSHDSDC-QFIPXVFZSA-N 0 0 455.507 4.479 20 0 JIADRN COc1nc(C)c(Br)cc1C(=O)N(C)CCOc1ccc(Br)cc1 ZINC001349111730 1066810078 /nfs/dbraw/zinc/81/00/78/1066810078.db2.gz PWJNIWBMTCESET-UHFFFAOYSA-N 0 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CCc1ccc([C@@H](NC(=O)N2CCC(C(=O)NCCCOC)CC2)c2cccc(F)c2)cc1 ZINC001319706590 1067077114 /nfs/dbraw/zinc/07/71/14/1067077114.db2.gz SIFMESYUCLKARG-XMMPIXPASA-N 0 0 455.574 4.052 20 0 JIADRN CCOC(=O)c1c(C)oc2nc(COC(=O)CCOc3cc(Cl)ccc3Cl)nc(N)c21 ZINC001319706671 1067077358 /nfs/dbraw/zinc/07/73/58/1067077358.db2.gz WOUKYAZUGOKIAY-UHFFFAOYSA-N 0 0 468.293 4.109 20 0 JIADRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)cc1OC ZINC001319726668 1067077851 /nfs/dbraw/zinc/07/78/51/1067077851.db2.gz HGUCFGTWHBIYFX-LLVKDONJSA-N 0 0 452.385 4.268 20 0 JIADRN CCn1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc2ccccc21 ZINC001319729806 1067078072 /nfs/dbraw/zinc/07/80/72/1067078072.db2.gz VIWATNBMLZUPSK-SFHVURJKSA-N 0 0 483.590 4.020 20 0 JIADRN CCn1c(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc2ccccc21 ZINC001319727600 1067078366 /nfs/dbraw/zinc/07/83/66/1067078366.db2.gz ODZWKBHUDVDPHK-ZDUSSCGKSA-N 0 0 459.424 4.211 20 0 JIADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4cnn(C)c4)cc3)cc2)C1 ZINC001351330145 1067078618 /nfs/dbraw/zinc/07/86/18/1067078618.db2.gz UZJMGOZNTJUHNW-ROUUACIJSA-N 0 0 452.580 4.006 20 0 JIADRN CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)oc21 ZINC001351338213 1067079308 /nfs/dbraw/zinc/07/93/08/1067079308.db2.gz LKIILVZLBMPOCP-UYAOXDASSA-N 0 0 450.535 4.326 20 0 JIADRN O=C(Cc1ccc(Cl)cn1)Nc1cc(Br)ccc1I ZINC001351337722 1067079323 /nfs/dbraw/zinc/07/93/23/1067079323.db2.gz WCUOYTMIVHDKMP-UHFFFAOYSA-N 0 0 451.489 4.283 20 0 JIADRN COc1ccc2c(c1)C[C@H](C(=O)N1CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC1)CO2 ZINC001300709048 1067079497 /nfs/dbraw/zinc/07/94/97/1067079497.db2.gz OOBLYOQQWYMAMP-CTNGQTDRSA-N 0 0 458.599 4.132 20 0 JIADRN CC(C)[C@H](C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1)N1C(=O)c2ccccc2C1=O ZINC001351339626 1067079828 /nfs/dbraw/zinc/07/98/28/1067079828.db2.gz CTTNPGUZHOELDV-LJQANCHMSA-N 0 0 455.486 4.271 20 0 JIADRN 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COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCc2scnc2C)c(OC)c1 ZINC001300023161 1067391421 /nfs/dbraw/zinc/39/14/21/1067391421.db2.gz IGFUDZLACLWSII-BFUOFWGJSA-N 0 0 497.543 4.126 20 0 JIADRN COc1cc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc(Cl)c1OC ZINC001355222001 1067391622 /nfs/dbraw/zinc/39/16/22/1067391622.db2.gz WMVUOYSQRPVEQP-UHFFFAOYSA-N 0 0 458.799 4.026 20 0 JIADRN COC(=O)c1cc2cc(NC(=O)[C@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)ccc2o1 ZINC001355225043 1067392033 /nfs/dbraw/zinc/39/20/33/1067392033.db2.gz KSNKBJAKZBACQA-FQEVSTJZSA-N 0 0 456.417 4.347 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCO[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001300023515 1067392100 /nfs/dbraw/zinc/39/21/00/1067392100.db2.gz GSIDUQGQJPCZQR-PSHVLCQKSA-N 0 0 458.603 4.171 20 0 JIADRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(I)ccc1N1CCOCC1 ZINC001355228625 1067392314 /nfs/dbraw/zinc/39/23/14/1067392314.db2.gz SDHPVFAUNVAJJX-YOEHRIQHSA-N 0 0 456.368 4.072 20 0 JIADRN 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O=C(Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1cnc(Cl)c(Br)c1 ZINC001355234778 1067393405 /nfs/dbraw/zinc/39/34/05/1067393405.db2.gz OICVZVQQSFGRGI-UHFFFAOYSA-N 0 0 450.598 4.100 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCCC(F)(F)F)cc1 ZINC001300023986 1067393345 /nfs/dbraw/zinc/39/33/45/1067393345.db2.gz MYTXVIZEQIPLAC-SWLSCSKDSA-N 0 0 452.399 4.452 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C)c2nccs2)cc1 ZINC001300023925 1067393504 /nfs/dbraw/zinc/39/35/04/1067393504.db2.gz MOMPGLNPAICFFN-JKIFEVAISA-N 0 0 467.517 4.370 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2Cc2ccncc2Cl)cc1OC ZINC001300024124 1067393765 /nfs/dbraw/zinc/39/37/65/1067393765.db2.gz KURFEPYXCOVWLV-HUUCEWRRSA-N 0 0 460.003 4.389 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)n2CCCC(F)(F)F)cc1OC ZINC001300024437 1067394057 /nfs/dbraw/zinc/39/40/57/1067394057.db2.gz MMNHIOYDDKKTJG-PONJGIIJSA-N 0 0 484.519 4.078 20 0 JIADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 ZINC001355239032 1067394120 /nfs/dbraw/zinc/39/41/20/1067394120.db2.gz IYLCXKIPGDSGIB-OAQYLSRUSA-N 0 0 456.974 4.027 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC[C@@H]2CCOC2)cc1Br ZINC001300024711 1067394498 /nfs/dbraw/zinc/39/44/98/1067394498.db2.gz NWDPBTQJUWBLOL-BEFAXECRSA-N 0 0 479.419 4.004 20 0 JIADRN C[C@@H](C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)n1cncn1 ZINC001355244973 1067395053 /nfs/dbraw/zinc/39/50/53/1067395053.db2.gz ITLXAHAKONFTJL-SCLBCKFNSA-N 0 0 450.395 4.123 20 0 JIADRN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc(C(C)(C)C)n3ncnc3n1)C[C@@H](C)CC2 ZINC001355245173 1067395143 /nfs/dbraw/zinc/39/51/43/1067395143.db2.gz LMCBMZMIDKULGV-ZDUSSCGKSA-N 0 0 455.584 4.426 20 0 JIADRN CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 ZINC001355249917 1067395804 /nfs/dbraw/zinc/39/58/04/1067395804.db2.gz JQUDNRBNOLHTPI-OPAMFIHVSA-N 0 0 457.527 4.118 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC2(F)CCC2)cc1OC ZINC001300025380 1067395945 /nfs/dbraw/zinc/39/59/45/1067395945.db2.gz TXIAZFYUCVDNPK-KSSFIOAISA-N 0 0 472.483 4.401 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@@](C)(CCc4ccccc4)C3)C2)cc1 ZINC001355250430 1067396003 /nfs/dbraw/zinc/39/60/03/1067396003.db2.gz VMLAUCJHAACRAL-ZEQKJWHPSA-N 0 0 454.636 4.267 20 0 JIADRN CCO[C@H](CCNC(=O)c1cc(I)ccc1Br)C(C)C ZINC001355253447 1067396721 /nfs/dbraw/zinc/39/67/21/1067396721.db2.gz XJQMEAWMYRATHE-CQSZACIVSA-N 0 0 454.146 4.235 20 0 JIADRN C[C@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c2cc(Cl)ccc2S1 ZINC001355257183 1067397066 /nfs/dbraw/zinc/39/70/66/1067397066.db2.gz ZRDWJFLWRNJYKR-GOEBONIOSA-N 0 0 453.004 4.138 20 0 JIADRN CN(C(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1 ZINC001355256359 1067397078 /nfs/dbraw/zinc/39/70/78/1067397078.db2.gz JDQDFSCPONOBJY-UHFFFAOYSA-N 0 0 455.558 4.383 20 0 JIADRN CCOC(=O)c1c(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 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451.420 4.149 20 0 JIADRN CCc1nc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)nn1-c1ccccc1F ZINC001356348822 1067732209 /nfs/dbraw/zinc/73/22/09/1067732209.db2.gz JKXVSYLARDRXQS-UHFFFAOYSA-N 0 0 457.509 4.460 20 0 JIADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc12 ZINC001356351331 1067732507 /nfs/dbraw/zinc/73/25/07/1067732507.db2.gz DQLSOIPWESDOCQ-UHFFFAOYSA-N 0 0 454.577 4.005 20 0 JIADRN COc1ccc(CCc2nnc(N3CCc4c(ccnc4N(C)C)C3)n2CCC(C)(F)F)cc1 ZINC001300119092 1067732695 /nfs/dbraw/zinc/73/26/95/1067732695.db2.gz CCWDDDBMPGXTTJ-UHFFFAOYSA-N 0 0 470.568 4.141 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCSC(C)C)cc1 ZINC001300119147 1067733022 /nfs/dbraw/zinc/73/30/22/1067733022.db2.gz OCVXIDFCLXRTLU-QFIPXVFZSA-N 0 0 458.672 4.466 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCCC(C)(C)C)cc1 ZINC001300119607 1067734026 /nfs/dbraw/zinc/73/40/26/1067734026.db2.gz WQZVIWSHQJAUSZ-HSZRJFAPSA-N 0 0 469.674 4.057 20 0 JIADRN C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001356356309 1067734269 /nfs/dbraw/zinc/73/42/69/1067734269.db2.gz CFNRPGFKYIWWLU-UTKZUKDTSA-N 0 0 458.530 4.072 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@](C)(OC)C3)n2Cc2ccnc(OC(F)F)c2)cc1 ZINC001300119743 1067734632 /nfs/dbraw/zinc/73/46/32/1067734632.db2.gz BOCUIQMSFDIXFL-RUZDIDTESA-N 0 0 487.551 4.122 20 0 JIADRN COC(=O)c1ccc(CNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001356356991 1067735080 /nfs/dbraw/zinc/73/50/80/1067735080.db2.gz ISIKVGGMGWJGAG-FQEVSTJZSA-N 0 0 456.539 4.144 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C2CC2)cc1 ZINC001300119965 1067735313 /nfs/dbraw/zinc/73/53/13/1067735313.db2.gz CEJNDLWNHMEZTP-IBGZPJMESA-N 0 0 455.603 4.148 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(Oc4cc(C)ccn4)CC3)n2CC(F)(F)F)cc1 ZINC001300120115 1067735898 /nfs/dbraw/zinc/73/58/98/1067735898.db2.gz NFWVFPPKWPXSHV-UHFFFAOYSA-N 0 0 475.515 4.385 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCc2ccncc2)cc1 ZINC001300120048 1067736012 /nfs/dbraw/zinc/73/60/12/1067736012.db2.gz DTQPPKCZGZASGB-HXUWFJFHSA-N 0 0 459.516 4.488 20 0 JIADRN CC(=O)N[C@@H](C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(Br)c1 ZINC001352809615 1067736310 /nfs/dbraw/zinc/73/63/10/1067736310.db2.gz BLVAPYKYUHWYHH-QGZVFWFLSA-N 0 0 458.278 4.350 20 0 JIADRN COC(=O)c1c2n(c(-c3cccc(NC(=O)/C(C)=C/c4ccccn4)c3)c1C(=O)OC)CCC2 ZINC001356364964 1067736663 /nfs/dbraw/zinc/73/66/63/1067736663.db2.gz VIGYHSZDWNAOPN-JQIJEIRASA-N 0 0 459.502 4.112 20 0 JIADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3nnc(-c4ccc(C)cc4C)s3)CCC(=O)N2C)cc1 ZINC001356365694 1067736679 /nfs/dbraw/zinc/73/66/79/1067736679.db2.gz FLZHRKDYFKRJJA-TZIWHRDSSA-N 0 0 450.564 4.379 20 0 JIADRN O=C(NCCCc1cccs1)c1cc(Br)cc(I)c1 ZINC001356367566 1067737106 /nfs/dbraw/zinc/73/71/06/1067737106.db2.gz ZINDBWXRLJTXJT-UHFFFAOYSA-N 0 0 450.139 4.478 20 0 JIADRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)c1 ZINC001356366976 1067737163 /nfs/dbraw/zinc/73/71/63/1067737163.db2.gz GEGDBEDDEMUVIV-HRAATJIYSA-N 0 0 459.384 4.348 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C)C3)n2CCOc2ncccc2Cl)cc1 ZINC001300120360 1067737356 /nfs/dbraw/zinc/73/73/56/1067737356.db2.gz IFSZLDSEGGYPNR-GOSISDBHSA-N 0 0 455.990 4.436 20 0 JIADRN CC/C(=C\C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)c1cccc(Cl)c1 ZINC001352812005 1067737694 /nfs/dbraw/zinc/73/76/94/1067737694.db2.gz SBPALTXZZQCZSN-CZIZESTLSA-N 0 0 451.998 4.257 20 0 JIADRN COc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c2ccccc2n1 ZINC001356377701 1067738961 /nfs/dbraw/zinc/73/89/61/1067738961.db2.gz HMLRPKCJAKEFQG-INIZCTEOSA-N 0 0 450.514 4.448 20 0 JIADRN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F ZINC001356377185 1067739049 /nfs/dbraw/zinc/73/90/49/1067739049.db2.gz CNEPCEACQJYESB-INIZCTEOSA-N 0 0 455.578 4.043 20 0 JIADRN CCC(CC)(C(=O)N1CCC(NC(=O)c2ccccc2C)CC1)c1ccc(OC)c(OC)c1 ZINC001356378372 1067739473 /nfs/dbraw/zinc/73/94/73/1067739473.db2.gz LKHVSKKNWNDUMO-UHFFFAOYSA-N 0 0 452.595 4.491 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@]2(C)CCCS2)cc1 ZINC001300121545 1067739672 /nfs/dbraw/zinc/73/96/72/1067739672.db2.gz ZSJWQXIUTSJNEQ-OAQYLSRUSA-N 0 0 484.588 4.251 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC2CCOCC2)cc1 ZINC001300122154 1067740622 /nfs/dbraw/zinc/74/06/22/1067740622.db2.gz ZMWSGTIRNJDFCR-QHCPKHFHSA-N 0 0 456.631 4.282 20 0 JIADRN CC(C)(C)Oc1cc(F)ccc1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC001356380791 1067741473 /nfs/dbraw/zinc/74/14/73/1067741473.db2.gz KXDRIEOBSYJKCB-UHFFFAOYSA-N 0 0 458.349 4.319 20 0 JIADRN Cc1ccc([C@@H](CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)N2CCOCC2)cc1 ZINC001356380132 1067741492 /nfs/dbraw/zinc/74/14/92/1067741492.db2.gz SKBGMZLDLMEXQI-HSZRJFAPSA-N 0 0 453.583 4.074 20 0 JIADRN O=C(Nc1ccccc1CN1CCOCC1)c1cc(Br)cc(Br)c1 ZINC001356388999 1067741840 /nfs/dbraw/zinc/74/18/40/1067741840.db2.gz PKOBYLOOJWKOPW-UHFFFAOYSA-N 0 0 454.162 4.296 20 0 JIADRN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC001352821594 1067742911 /nfs/dbraw/zinc/74/29/11/1067742911.db2.gz QIVDBQMASNVWJZ-OAHLLOKOSA-N 0 0 456.377 4.435 20 0 JIADRN COC(=O)c1sc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)nc1C1CC1 ZINC001356391575 1067743020 /nfs/dbraw/zinc/74/30/20/1067743020.db2.gz JVPXLPNFCCBLQJ-UHFFFAOYSA-N 0 0 450.358 4.422 20 0 JIADRN CCOC(Cc1c(=O)[nH]c(=S)[nH]c1NC(=S)Nc1ccc(C)cc1Br)OCC ZINC001200142453 1067743411 /nfs/dbraw/zinc/74/34/11/1067743411.db2.gz FULLLCBSDOGDHS-UHFFFAOYSA-N 0 0 487.445 4.292 20 0 JIADRN CC(C)(C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccc(C(F)(F)F)cc1 ZINC001356401141 1067744105 /nfs/dbraw/zinc/74/41/05/1067744105.db2.gz NIRUCLOPPOFKSO-UHFFFAOYSA-N 0 0 454.452 4.479 20 0 JIADRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001356400258 1067744201 /nfs/dbraw/zinc/74/42/01/1067744201.db2.gz NIGBRAYMCRPUBH-HNNXBMFYSA-N 0 0 450.457 4.004 20 0 JIADRN COc1ccc(CCc2nnc(N3CCCC[C@@H](C)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001300123657 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457.590 4.276 20 0 JIADRN CSCC[C@H](C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O ZINC001357719726 1067891334 /nfs/dbraw/zinc/89/13/34/1067891334.db2.gz PSRMPPQCJZQNBU-SIKLNZKXSA-N 0 0 452.551 4.296 20 0 JIADRN CC[C@@H]1[C@@H](C(=O)Nc2cc(OC)c(Br)c(OC)c2)CCN1C(=O)OC(C)(C)C ZINC001357720150 1067891342 /nfs/dbraw/zinc/89/13/42/1067891342.db2.gz UNTICHZXMOIXGP-UONOGXRCSA-N 0 0 457.365 4.440 20 0 JIADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC001357721231 1067891496 /nfs/dbraw/zinc/89/14/96/1067891496.db2.gz YOVVKZOEBSWSJB-HNNXBMFYSA-N 0 0 450.520 4.219 20 0 JIADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC001300220351 1067891491 /nfs/dbraw/zinc/89/14/91/1067891491.db2.gz YEMIOXTYYGKHSB-UHFFFAOYSA-N 0 0 459.568 4.184 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001300220898 1067891873 /nfs/dbraw/zinc/89/18/73/1067891873.db2.gz FIDFMTFYPVKLOK-NRFANRHFSA-N 0 0 484.645 4.298 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C(F)(F)F)c1 ZINC001300220959 1067892124 /nfs/dbraw/zinc/89/21/24/1067892124.db2.gz HEZHLRRRWNVCFV-GOSISDBHSA-N 0 0 493.574 4.437 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1O ZINC001300220918 1067892150 /nfs/dbraw/zinc/89/21/50/1067892150.db2.gz FYCNGAYQDOSWQZ-FQEVSTJZSA-N 0 0 485.629 4.267 20 0 JIADRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C(F)(F)c1ccccc1Br ZINC001357734100 1067892369 /nfs/dbraw/zinc/89/23/69/1067892369.db2.gz LNXQMDYOWISJLU-UHFFFAOYSA-N 0 0 451.311 4.483 20 0 JIADRN O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N(Cc1cccs1)c1ccc(Br)cc1 ZINC001357734555 1067892508 /nfs/dbraw/zinc/89/25/08/1067892508.db2.gz DHHYXSHFNKYTNT-WVJCCSTMSA-N 0 0 454.411 4.400 20 0 JIADRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)C2)nc1 ZINC001357734984 1067892547 /nfs/dbraw/zinc/89/25/47/1067892547.db2.gz RCZNTPODSUGYOM-JOCHJYFZSA-N 0 0 456.546 4.158 20 0 JIADRN O=C(NCCC1(CO)CCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001300221200 1067892609 /nfs/dbraw/zinc/89/26/09/1067892609.db2.gz JDPWMRGAFCXVGN-UHFFFAOYSA-N 0 0 457.379 4.077 20 0 JIADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC001353185329 1067892625 /nfs/dbraw/zinc/89/26/25/1067892625.db2.gz PPNJLPBRCRJBKP-UHFFFAOYSA-N 0 0 451.548 4.230 20 0 JIADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c(C)nn(C2CCOCC2)c1C ZINC001357737948 1067892984 /nfs/dbraw/zinc/89/29/84/1067892984.db2.gz MXNGZBUDFGJOMI-VBKZILBWSA-N 0 0 450.377 4.120 20 0 JIADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001300221784 1067893044 /nfs/dbraw/zinc/89/30/44/1067893044.db2.gz IOULMZAAJUNKHC-AOIWGVFYSA-N 0 0 459.587 4.430 20 0 JIADRN O=C(NCCc1ccc(Br)cc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001353187499 1067893675 /nfs/dbraw/zinc/89/36/75/1067893675.db2.gz DGPMXSXRGHSAQQ-WBVHZDCISA-N 0 0 472.152 4.182 20 0 JIADRN O=C(Nc1cc(Br)c[nH]c1=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 ZINC001357744420 1067893700 /nfs/dbraw/zinc/89/37/00/1067893700.db2.gz SMMMQRHDARMLJZ-UHFFFAOYSA-N 0 0 451.683 4.269 20 0 JIADRN COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC001300222733 1067893884 /nfs/dbraw/zinc/89/38/84/1067893884.db2.gz DAAYOOFZHHRYKV-HNNXBMFYSA-N 0 0 497.518 4.244 20 0 JIADRN Cc1cc(Br)cc2c1CN(C(=O)CSCC(=O)N(C)C1CCCCC1)CC2 ZINC001357745809 1067893886 /nfs/dbraw/zinc/89/38/86/1067893886.db2.gz GMYYDMDRSOTUOS-UHFFFAOYSA-N 0 0 453.446 4.167 20 0 JIADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H](C)NC(=O)CCc2ccccc2)cc1OC ZINC001357748684 1067894299 /nfs/dbraw/zinc/89/42/99/1067894299.db2.gz KBVHVKLNTHQKJF-OFNKIYASSA-N 0 0 452.595 4.155 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@H]2C)cn1 ZINC001300222934 1067894323 /nfs/dbraw/zinc/89/43/23/1067894323.db2.gz GUAFDABMOVGMLG-HZPDHXFCSA-N 0 0 472.387 4.306 20 0 JIADRN CCn1c2cc(F)ccc2nc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC001357757077 1067894938 /nfs/dbraw/zinc/89/49/38/1067894938.db2.gz ZYKMWZSHOUYAOH-INIZCTEOSA-N 0 0 458.559 4.319 20 0 JIADRN Cc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc(S(=O)(=O)N(C)C)c1C ZINC001357756838 1067894971 /nfs/dbraw/zinc/89/49/71/1067894971.db2.gz CZLOXLGEYWXPFV-UHFFFAOYSA-N 0 0 450.560 4.408 20 0 JIADRN COc1ccc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)[C@H]2C)cn1 ZINC001300223701 1067895178 /nfs/dbraw/zinc/89/51/78/1067895178.db2.gz IMAJHJGBPAZWQF-GOSISDBHSA-N 0 0 453.612 4.334 20 0 JIADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001357757318 1067895169 /nfs/dbraw/zinc/89/51/69/1067895169.db2.gz OCJKATXRDYBZIO-OLZOCXBDSA-N 0 0 454.304 4.020 20 0 JIADRN O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001357758663 1067895399 /nfs/dbraw/zinc/89/53/99/1067895399.db2.gz VMKYJQCFNQAZMN-UHFFFAOYSA-N 0 0 457.864 4.404 20 0 JIADRN CC(C)(C)Oc1cccc(CCC(=O)NCCc2ccc(I)s2)n1 ZINC001357757870 1067895433 /nfs/dbraw/zinc/89/54/33/1067895433.db2.gz MSFNYRLDASHSAK-UHFFFAOYSA-N 0 0 458.365 4.217 20 0 JIADRN COc1ccc(Cn2c(N3CC[C@@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)cc1Br ZINC001300224437 1067896071 /nfs/dbraw/zinc/89/60/71/1067896071.db2.gz QEQOJXOAAIBLOJ-MRXNPFEDSA-N 0 0 473.419 4.122 20 0 JIADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CSC[C@H]3C(=O)N[C@H](C)C(C)C)cc12 ZINC001353194130 1067896370 /nfs/dbraw/zinc/89/63/70/1067896370.db2.gz GPODGJYKNKKPHH-BEFAXECRSA-N 0 0 456.637 4.130 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C)[C@H]2C)c(C(F)(F)F)c1 ZINC001300224641 1067896601 /nfs/dbraw/zinc/89/66/01/1067896601.db2.gz GYSLNNAPEUAXOS-RHSMWYFYSA-N 0 0 462.520 4.450 20 0 JIADRN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1I)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001357770068 1067896711 /nfs/dbraw/zinc/89/67/11/1067896711.db2.gz BVOPLTIGELCHNV-RGZWXSTOSA-N 0 0 463.290 4.251 20 0 JIADRN COc1c(F)ccc(F)c1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001357770071 1067896741 /nfs/dbraw/zinc/89/67/41/1067896741.db2.gz BWQPGNYFUOKGFM-UHFFFAOYSA-N 0 0 453.283 4.227 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2cccc(F)c2)cn1 ZINC001300224742 1067896707 /nfs/dbraw/zinc/89/67/07/1067896707.db2.gz UVEBOPXFVPWRPA-TYKWCNGQSA-N 0 0 496.587 4.276 20 0 JIADRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001353196837 1067897196 /nfs/dbraw/zinc/89/71/96/1067897196.db2.gz SKMHXGPMIISQAL-GFCCVEGCSA-N 0 0 452.376 4.207 20 0 JIADRN COc1cc(C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)cc(OC)c1OCC(N)=O ZINC001353196559 1067897292 /nfs/dbraw/zinc/89/72/92/1067897292.db2.gz QLYFLHNJKNHWIP-KEWLPNKHSA-N 0 0 454.567 4.174 20 0 JIADRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@]2(c3ccccc3)CCCO2)CC1 ZINC001357772119 1067897242 /nfs/dbraw/zinc/89/72/42/1067897242.db2.gz NMJUXBOYDNNVFC-HSZRJFAPSA-N 0 0 457.368 4.332 20 0 JIADRN Cc1ccccc1[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCC[C@@H](C)C1 ZINC001353197430 1067897451 /nfs/dbraw/zinc/89/74/51/1067897451.db2.gz XHJBCIAYHUYIOS-ROMRWMGNSA-N 0 0 453.608 4.060 20 0 JIADRN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001353197267 1067897471 /nfs/dbraw/zinc/89/74/71/1067897471.db2.gz WSHXCLMBBKAWLP-WBMJQRKESA-N 0 0 455.443 4.269 20 0 JIADRN Cc1ccc(Br)c(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)n1 ZINC001353198337 1067897738 /nfs/dbraw/zinc/89/77/38/1067897738.db2.gz QTCKZJWCWFFEMY-UHFFFAOYSA-N 0 0 459.369 4.365 20 0 JIADRN CCOc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1F ZINC001353199672 1067897902 /nfs/dbraw/zinc/89/79/02/1067897902.db2.gz IBAPAXOQGNJUPT-INIZCTEOSA-N 0 0 451.292 4.357 20 0 JIADRN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC001357775690 1067897965 /nfs/dbraw/zinc/89/79/65/1067897965.db2.gz CJAMBHKJVFXDNH-UHFFFAOYSA-N 0 0 457.527 4.020 20 0 JIADRN COCCOc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 ZINC001353201272 1067898220 /nfs/dbraw/zinc/89/82/20/1067898220.db2.gz AEUBBHHPVQHGGT-SFHVURJKSA-N 0 0 452.338 4.047 20 0 JIADRN Cc1ccc(C(=O)N2CCN(C(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CC2)cc1F ZINC001357779391 1067898454 /nfs/dbraw/zinc/89/84/54/1067898454.db2.gz ILSORXGXGZPWNE-UHFFFAOYSA-N 0 0 452.423 4.308 20 0 JIADRN CCc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)ccc1Br ZINC001357780173 1067898657 /nfs/dbraw/zinc/89/86/57/1067898657.db2.gz QFBMNWHROJUARJ-FQEVSTJZSA-N 0 0 451.792 4.468 20 0 JIADRN CCOC(=O)c1cc(I)c(NC(=S)NC[C@H](C)CC)cc1Cl ZINC001200265275 1067898977 /nfs/dbraw/zinc/89/89/77/1067898977.db2.gz BIHQDFYMFDNVHT-SECBINFHSA-N 0 0 454.761 4.454 20 0 JIADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(Br)c(F)cc1F ZINC001357780889 1067898898 /nfs/dbraw/zinc/89/88/98/1067898898.db2.gz WDCATVOYSHHLQK-SFHVURJKSA-N 0 0 459.718 4.184 20 0 JIADRN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(I)cc1F ZINC001357781064 1067898917 /nfs/dbraw/zinc/89/89/17/1067898917.db2.gz WJYGBSVESHBIHD-UHFFFAOYSA-N 0 0 458.658 4.228 20 0 JIADRN C[C@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)N1CCc2sccc2C1 ZINC001357780929 1067898962 /nfs/dbraw/zinc/89/89/62/1067898962.db2.gz WOEXWBHLIHKSSK-OPAMFIHVSA-N 0 0 452.542 4.279 20 0 JIADRN COc1ccc(Cn2c(N3CCO[C@H](C(F)(F)F)C3)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001300228585 1067899176 /nfs/dbraw/zinc/89/91/76/1067899176.db2.gz JHJSVMOQQPWTKO-HNNXBMFYSA-N 0 0 466.426 4.419 20 0 JIADRN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001357782208 1067899421 /nfs/dbraw/zinc/89/94/21/1067899421.db2.gz PRIINPYZXSCABI-UHFFFAOYSA-N 0 0 455.923 4.176 20 0 JIADRN O=C(NCc1ccc(Br)c(F)c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001353208253 1067899662 /nfs/dbraw/zinc/89/96/62/1067899662.db2.gz PWFKDQXYMHJMDP-MRXNPFEDSA-N 0 0 457.752 4.073 20 0 JIADRN Cc1ccc(OCCNC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC001357790166 1067899889 /nfs/dbraw/zinc/89/98/89/1067899889.db2.gz POSSUGUOVYCDDS-UHFFFAOYSA-N 0 0 458.624 4.150 20 0 JIADRN CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001200267313 1067903979 /nfs/dbraw/zinc/90/39/79/1067903979.db2.gz NJZDGCPCWLLKFA-QQKQFIJSSA-N 0 0 488.650 4.305 20 0 JIADRN CCCCS(=O)(=O)N1CCC(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)OCC)CC1 ZINC001353211016 1067904260 /nfs/dbraw/zinc/90/42/60/1067904260.db2.gz XJPOHEAPDAGASS-UHFFFAOYSA-N 0 0 458.646 4.003 20 0 JIADRN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)Oc2ccc3ccccc3c2)(C(=O)OC(C)(C)C)C1 ZINC001353210654 1067904709 /nfs/dbraw/zinc/90/47/09/1067904709.db2.gz XSRLLGZJVHWOMN-VWLOTQADSA-N 0 0 457.523 4.093 20 0 JIADRN COc1ccc(Cn2c(N3CCS[C@@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 ZINC001300230224 1067905017 /nfs/dbraw/zinc/90/50/17/1067905017.db2.gz UMFKVLBVHDHGSC-QPPBQGQZSA-N 0 0 478.634 4.093 20 0 JIADRN COCc1c(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)sc2cccc(F)c21 ZINC001357805011 1067905243 /nfs/dbraw/zinc/90/52/43/1067905243.db2.gz LZRNJZCKNHJWTR-UHFFFAOYSA-N 0 0 455.555 4.103 20 0 JIADRN CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001200267693 1067907889 /nfs/dbraw/zinc/90/78/89/1067907889.db2.gz QCYNSKOJGJNJOH-QFQXNSOFSA-N 0 0 470.635 4.067 20 0 JIADRN 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4.378 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CC2CCOCC2)cn1 ZINC001315486955 1064360064 /nfs/dbraw/zinc/36/00/64/1064360064.db2.gz LDHHCTORTDMXGK-UHFFFAOYSA-N 0 0 486.414 4.331 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001315487450 1064361133 /nfs/dbraw/zinc/36/11/33/1064361133.db2.gz OJKGOFZHTUHRFM-GOSISDBHSA-N 0 0 497.596 4.263 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)c2nccs2)c(OC)c1OC ZINC001315487325 1064361222 /nfs/dbraw/zinc/36/12/22/1064361222.db2.gz FMWFOKPIMZRXTH-MRXNPFEDSA-N 0 0 482.610 4.054 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)[C@@H]2C)c(OC)c1OC ZINC001315487493 1064362170 /nfs/dbraw/zinc/36/21/70/1064362170.db2.gz KUXYXSBSYBTPGG-KBPBESRZSA-N 0 0 490.402 4.345 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2cnn(C)c2C)c(C(F)(F)F)c1 ZINC001315488058 1064364368 /nfs/dbraw/zinc/36/43/68/1064364368.db2.gz OBOSSXQESREXLL-UHFFFAOYSA-N 0 0 473.503 4.038 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)[C@H]2C)c(OC)n1 ZINC001315488396 1064364729 /nfs/dbraw/zinc/36/47/29/1064364729.db2.gz GWXCGXAGEZHMAI-WOJBJXKFSA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1O ZINC001315488379 1064364878 /nfs/dbraw/zinc/36/48/78/1064364878.db2.gz SYXWNAWORAJFNY-UHFFFAOYSA-N 0 0 476.484 4.214 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C(C)C)C2)c(F)c1 ZINC001315488542 1064365578 /nfs/dbraw/zinc/36/55/78/1064365578.db2.gz PWQSUYHXWXMCLK-HXUWFJFHSA-N 0 0 492.393 4.103 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CC(F)C2)cc1OC ZINC001315488619 1064365735 /nfs/dbraw/zinc/36/57/35/1064365735.db2.gz QUBVJUUSGHAHGX-UHFFFAOYSA-N 0 0 478.366 4.286 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC001315488681 1064366299 /nfs/dbraw/zinc/36/62/99/1064366299.db2.gz WOBYOQAQQYTPQB-IBGZPJMESA-N 0 0 497.596 4.406 20 0 JIADRN 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ZINC001315489435 1064369519 /nfs/dbraw/zinc/36/95/19/1064369519.db2.gz LTTNBUPMXUCNPT-DLBZAZTESA-N 0 0 485.560 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(F)c1 ZINC001315490086 1064371963 /nfs/dbraw/zinc/37/19/63/1064371963.db2.gz XPOPBAAXHHYCJB-LJQANCHMSA-N 0 0 459.953 4.441 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cn1 ZINC001315490352 1064372518 /nfs/dbraw/zinc/37/25/18/1064372518.db2.gz RXRYJDUMOKJHHN-IAGOWNOFSA-N 0 0 455.534 4.013 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H]2CSC)cn1 ZINC001315490527 1064373416 /nfs/dbraw/zinc/37/34/16/1064373416.db2.gz UKCLRPKNRFADQF-APWZRJJASA-N 0 0 457.575 4.341 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)c(OC)n1 ZINC001315490909 1064374966 /nfs/dbraw/zinc/37/49/66/1064374966.db2.gz VYEQMDYXEYFHCL-INIZCTEOSA-N 0 0 487.601 4.350 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(F)cc2F)c(OC)n1 ZINC001315491834 1064377091 /nfs/dbraw/zinc/37/70/91/1064377091.db2.gz SSCODAJCNQGWPX-UHFFFAOYSA-N 0 0 466.492 4.024 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C(C)(C)C)C2)c(OC)c1OC ZINC001315492313 1064378067 /nfs/dbraw/zinc/37/80/67/1064378067.db2.gz YGFIYNGNYWTGTN-SFHVURJKSA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315492968 1064379476 /nfs/dbraw/zinc/37/94/76/1064379476.db2.gz KJAZPTBJUIIMOU-OXJNMPFZSA-N 0 0 473.593 4.481 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)c(OC)n1 ZINC001315493219 1064380138 /nfs/dbraw/zinc/38/01/38/1064380138.db2.gz STEIFDORDOWPIB-UHFFFAOYSA-N 0 0 484.988 4.125 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001315493228 1064380223 /nfs/dbraw/zinc/38/02/23/1064380223.db2.gz UDLVRQRJEQQRKR-FQEVSTJZSA-N 0 0 485.629 4.447 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001315493473 1064380756 /nfs/dbraw/zinc/38/07/56/1064380756.db2.gz YMVDSBNMOQDQGJ-INIZCTEOSA-N 0 0 464.410 4.389 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cscn2)cc1OC(F)F ZINC001315493755 1064381609 /nfs/dbraw/zinc/38/16/09/1064381609.db2.gz BFWOHYZJFHJLBS-QGZVFWFLSA-N 0 0 465.526 4.271 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(C)noc2C)cc1OC(F)F ZINC001315493947 1064381697 /nfs/dbraw/zinc/38/16/97/1064381697.db2.gz DAAWWQLQLLFAMQ-IBGZPJMESA-N 0 0 477.512 4.419 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC001315494164 1064382517 /nfs/dbraw/zinc/38/25/17/1064382517.db2.gz GRWFTWANPZMMPP-NQIIRXRSSA-N 0 0 489.592 4.067 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1OC ZINC001315494674 1064384583 /nfs/dbraw/zinc/38/45/83/1064384583.db2.gz NPHFBHYYQZSWAD-JTDSTZFVSA-N 0 0 450.530 4.313 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N(CC(C)C)C2CCCC2)c(OC)c1OC ZINC001315495203 1064386854 /nfs/dbraw/zinc/38/68/54/1064386854.db2.gz DWUNGCAFTYLEAH-IBGZPJMESA-N 0 0 458.603 4.261 20 0 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4.079 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCCC(F)(F)F ZINC001316285790 1066042676 /nfs/dbraw/zinc/04/26/76/1066042676.db2.gz FZXSKIYYAXVNTH-YOEHRIQHSA-N 0 0 476.931 4.036 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(F)(F)CC2)n1CCc1ccc(F)cc1Cl ZINC001316285700 1066042781 /nfs/dbraw/zinc/04/27/81/1066042781.db2.gz RZMSXJPKTFCHIG-YJBOKZPZSA-N 0 0 458.912 4.273 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCCOC(F)(F)F ZINC001316286201 1066043370 /nfs/dbraw/zinc/04/33/70/1066043370.db2.gz ZGJUUOPZPUYYFE-RXVVDRJESA-N 0 0 497.562 4.034 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CCSC(C)C ZINC001316286403 1066043709 /nfs/dbraw/zinc/04/37/09/1066043709.db2.gz JOCDIPXHUFNZDR-WFXMLNOXSA-N 0 0 481.062 4.455 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001316286893 1066044180 /nfs/dbraw/zinc/04/41/80/1066044180.db2.gz KAOSFDXDUDEKJS-PTLVVNQVSA-N 0 0 496.574 4.469 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001316286895 1066044326 /nfs/dbraw/zinc/04/43/26/1066044326.db2.gz KAOSFDXDUDEKJS-ZCVJKFOLSA-N 0 0 496.574 4.469 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)=C(Br)C2)n1CCc1cccc(F)c1F ZINC001316287244 1066044620 /nfs/dbraw/zinc/04/46/20/1066044620.db2.gz WJBFYLGNBPVZCE-JXFKEZNVSA-N 0 0 497.384 4.402 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@@](C)(O)CCC(C)C ZINC001316287131 1066044754 /nfs/dbraw/zinc/04/47/54/1066044754.db2.gz LOINGELAWFLGNS-SRYPRDQNSA-N 0 0 470.605 4.061 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC(C)C ZINC001316287408 1066045162 /nfs/dbraw/zinc/04/51/62/1066045162.db2.gz NPTCGPBIPJKBBD-ACRUOGEOSA-N 0 0 479.666 4.132 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1CC(C)(C)C(F)(F)F ZINC001316287536 1066045590 /nfs/dbraw/zinc/04/55/90/1066045590.db2.gz CDBIUWBYHKPNPD-JXFKEZNVSA-N 0 0 498.546 4.171 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)C(C)C ZINC001316289793 1066048662 /nfs/dbraw/zinc/04/86/62/1066048662.db2.gz WKWCXHXSKZZGAG-FPOVZHCZSA-N 0 0 489.686 4.098 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(C)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001316289955 1066048810 /nfs/dbraw/zinc/04/88/10/1066048810.db2.gz IMTTZXDMFOYLDG-NYVOZVTQSA-N 0 0 460.022 4.115 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCc1cccc(OC)c1 ZINC001316290498 1066049806 /nfs/dbraw/zinc/04/98/06/1066049806.db2.gz GTLNFQZTNADSAW-WWNPGLIZSA-N 0 0 472.630 4.037 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCc1cc(C)ccc1OC ZINC001316290860 1066050105 /nfs/dbraw/zinc/05/01/05/1066050105.db2.gz OZKZCIBULKXUIS-DYXWJJEUSA-N 0 0 464.557 4.043 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC1=CCCCC1 ZINC001316290926 1066050889 /nfs/dbraw/zinc/05/08/89/1066050889.db2.gz IZCPGLZRZSINHB-FKBYEOEOSA-N 0 0 473.662 4.024 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001316292158 1066053546 /nfs/dbraw/zinc/05/35/46/1066053546.db2.gz WSXCTLJCMULEOA-MBDNFAEBSA-N 0 0 493.693 4.424 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001316292574 1066053974 /nfs/dbraw/zinc/05/39/74/1066053974.db2.gz YVFNOBAMYZESCZ-HDAAZOAOSA-N 0 0 481.563 4.306 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC1(SC)CCC1 ZINC001316293382 1066054931 /nfs/dbraw/zinc/05/49/31/1066054931.db2.gz UCZOQPYOMQWXHK-OTWHNJEPSA-N 0 0 452.665 4.072 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001316295560 1066057032 /nfs/dbraw/zinc/05/70/32/1066057032.db2.gz YZLKMPUAOGYFCH-WXVUKLJWSA-N 0 0 480.556 4.047 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCc1ccc(F)c(F)c1F ZINC001316297532 1066057805 /nfs/dbraw/zinc/05/78/05/1066057805.db2.gz LONWPZULDZRVDT-ADSMNUKGSA-N 0 0 496.574 4.304 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 ZINC001316297156 1066058041 /nfs/dbraw/zinc/05/80/41/1066058041.db2.gz GTYLNIRNRVUVNV-FKVLARQCSA-N 0 0 493.048 4.295 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCc1ccc(Cl)cc1 ZINC001316300166 1066060253 /nfs/dbraw/zinc/06/02/53/1066060253.db2.gz HDSHZECDEZFVIJ-WQDJSCAQSA-N 0 0 451.036 4.228 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC[C@H]2C)n1C[C@H](OC(C)C)c1ccccc1OC ZINC001316301147 1066061469 /nfs/dbraw/zinc/06/14/69/1066061469.db2.gz OBMHROCPHAHVCZ-FUKQBSRTSA-N 0 0 490.670 4.119 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001316303737 1066064187 /nfs/dbraw/zinc/06/41/87/1066064187.db2.gz WYKAOVCDJWUINB-JDHLRREYSA-N 0 0 470.605 4.061 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(COc4ccc(F)cc4)n3C[C@H](SC)C(C)(C)C)CC[C@H]12 ZINC001316304389 1066065239 /nfs/dbraw/zinc/06/52/39/1066065239.db2.gz ZFXLFAWBDSLSFO-BQJUDKOJSA-N 0 0 462.635 4.493 20 0 JIADRN CON(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(N2CCCCC2)nc1 ZINC001316304707 1066065693 /nfs/dbraw/zinc/06/56/93/1066065693.db2.gz OFDSLTVZEQBGHN-UHFFFAOYSA-N 0 0 463.405 4.200 20 0 JIADRN CON(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(Cn2cccn2)c1 ZINC001316304985 1066065736 /nfs/dbraw/zinc/06/57/36/1066065736.db2.gz UVWUQIUUSOHLIP-UHFFFAOYSA-N 0 0 459.373 4.060 20 0 JIADRN CON(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001316306713 1066066499 /nfs/dbraw/zinc/06/64/99/1066066499.db2.gz BXVSPEICEDEPFZ-LAUBAEHRSA-N 0 0 468.602 4.075 20 0 JIADRN CON(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(c2cccc(F)c2)CC1 ZINC001316310490 1066067025 /nfs/dbraw/zinc/06/70/25/1066067025.db2.gz KODJNFASFMPKER-QGZVFWFLSA-N 0 0 459.566 4.261 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001316311729 1066067547 /nfs/dbraw/zinc/06/75/47/1066067547.db2.gz BMJIWMZNMQPMMF-GOSISDBHSA-N 0 0 491.409 4.281 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)(C)C)C1 ZINC001316313634 1066069885 /nfs/dbraw/zinc/06/98/85/1066069885.db2.gz FQVIWHIHFAVZPL-PKOBYXMFSA-N 0 0 478.037 4.076 20 0 JIADRN CO[C@@H]1CC[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H]3[C@H](C)CCN3C(=O)OC(C)(C)C)C[C@H]12 ZINC001316319066 1066074322 /nfs/dbraw/zinc/07/43/22/1066074322.db2.gz PLJKOJRGLFQIJR-OUUBHVDSSA-N 0 0 461.651 4.082 20 0 JIADRN CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]12 ZINC001316319481 1066074903 /nfs/dbraw/zinc/07/49/03/1066074903.db2.gz DVFIEVPYPMLZAP-OQIJWPOYSA-N 0 0 491.036 4.016 20 0 JIADRN CO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001316322925 1066078695 /nfs/dbraw/zinc/07/86/95/1066078695.db2.gz ZITOFLAQDGTNPL-OAQYLSRUSA-N 0 0 469.586 4.050 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(OC)CCCC2)C1 ZINC001316324393 1066080970 /nfs/dbraw/zinc/08/09/70/1066080970.db2.gz USCJQENGRPCTCR-HNNXBMFYSA-N 0 0 453.356 4.031 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCOc2ccc(C)cc2)C1 ZINC001316324316 1066081110 /nfs/dbraw/zinc/08/11/10/1066081110.db2.gz KGUCBMXGDKHOTR-IBGZPJMESA-N 0 0 474.403 4.428 20 0 JIADRN CO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)c2nc(C)cs2)C1 ZINC001316325670 1066082385 /nfs/dbraw/zinc/08/23/85/1066082385.db2.gz LZUMKNWBQUQMIS-LPHOPBHVSA-N 0 0 490.674 4.186 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](SC)C(C)(C)C)C1 ZINC001316326028 1066082581 /nfs/dbraw/zinc/08/25/81/1066082581.db2.gz UZCBFXLMAXTMBB-CEXWTWQISA-N 0 0 481.707 4.395 20 0 JIADRN CO[C@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[C@H]2CCCCO2)C1 ZINC001316327058 1066082847 /nfs/dbraw/zinc/08/28/47/1066082847.db2.gz VECDMFNGQPEWIY-RTWAWAEBSA-N 0 0 463.022 4.436 20 0 JIADRN CO[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](SC)C(C)(C)C)C[C@@H]1OC ZINC001316327839 1066083641 /nfs/dbraw/zinc/08/36/41/1066083641.db2.gz BUWQPCNCATZKCA-QHAWAJNXSA-N 0 0 458.672 4.376 20 0 JIADRN CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCSC(F)(F)F)C[C@@H]1OC ZINC001316328554 1066084006 /nfs/dbraw/zinc/08/40/06/1066084006.db2.gz IRPWXFUQXLEFHK-NXHRZFHOSA-N 0 0 474.549 4.138 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C1 ZINC001316328707 1066084245 /nfs/dbraw/zinc/08/42/45/1066084245.db2.gz NVKSWIFRJVZNCU-SFTDATJTSA-N 0 0 455.603 4.240 20 0 JIADRN CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CC[C@H](F)C2)C[C@@H]1OC ZINC001316329002 1066084506 /nfs/dbraw/zinc/08/45/06/1066084506.db2.gz CUHUCGAJXVBTLM-OLUCIUBSSA-N 0 0 487.801 4.349 20 0 JIADRN CO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2nc(C)cc2C)C1 ZINC001316330589 1066086482 /nfs/dbraw/zinc/08/64/82/1066086482.db2.gz YJXGJJIWGNTFLT-QHCPKHFHSA-N 0 0 466.630 4.283 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2OC(C)C)C1 ZINC001316330525 1066086621 /nfs/dbraw/zinc/08/66/21/1066086621.db2.gz XTCPPAVBCUZMOG-HBMCJLEFSA-N 0 0 485.629 4.109 20 0 JIADRN 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CSCCCCCCn1c(C2CCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001316452440 1066335038 /nfs/dbraw/zinc/33/50/38/1066335038.db2.gz FENLFSGSJBUXLA-UHFFFAOYSA-N 0 0 454.706 4.407 20 0 JIADRN CSCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001316452722 1066336285 /nfs/dbraw/zinc/33/62/85/1066336285.db2.gz XIAYJKBOSSYLKA-VGOFRKELSA-N 0 0 466.051 4.301 20 0 JIADRN CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2)CC1 ZINC001316453010 1066336811 /nfs/dbraw/zinc/33/68/11/1066336811.db2.gz HRDWLFSMGDLUDM-JOCHJYFZSA-N 0 0 476.712 4.488 20 0 JIADRN CSCCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001316452894 1066336905 /nfs/dbraw/zinc/33/69/05/1066336905.db2.gz IIMDRYXROOQJJR-NRFANRHFSA-N 0 0 493.624 4.294 20 0 JIADRN C[C@@]1(c2cccc(CNC(=O)C=Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)NC(=O)NC1=O ZINC001329258720 1066337078 /nfs/dbraw/zinc/33/70/78/1066337078.db2.gz FVUJIGIQTOYRGJ-PRPIBZDOSA-N 0 0 485.384 4.108 20 0 JIADRN CSCCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001316453060 1066337147 /nfs/dbraw/zinc/33/71/47/1066337147.db2.gz IXFWWPKSAMJXJK-HSZRJFAPSA-N 0 0 451.681 4.079 20 0 JIADRN O=S(=O)(N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC001475320492 1066337373 /nfs/dbraw/zinc/33/73/73/1066337373.db2.gz FPNRFUBBFHDZKG-CQSZACIVSA-N 0 0 459.820 4.362 20 0 JIADRN CSCCCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001316453605 1066338443 /nfs/dbraw/zinc/33/84/43/1066338443.db2.gz KVQYFGCRZIMMEZ-OAQYLSRUSA-N 0 0 463.692 4.424 20 0 JIADRN Cc1csc(CCCCn2c(-c3cccc(C)n3)nnc2N2CCC(CC(=O)N(C)C)CC2)n1 ZINC001492509753 1066339040 /nfs/dbraw/zinc/33/90/40/1066339040.db2.gz XGZYNYXQLRLUNF-UHFFFAOYSA-N 0 0 481.670 4.131 20 0 JIADRN CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001316454531 1066339959 /nfs/dbraw/zinc/33/99/59/1066339959.db2.gz HQPFTAIZNWMKOZ-UHFFFAOYSA-N 0 0 478.622 4.458 20 0 JIADRN CSCCCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001316454265 1066340372 /nfs/dbraw/zinc/34/03/72/1066340372.db2.gz RCVXORXBINDEAW-LJQANCHMSA-N 0 0 463.051 4.078 20 0 JIADRN CSCCCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001316454259 1066340415 /nfs/dbraw/zinc/34/04/15/1066340415.db2.gz QXHJBEAFZIEKBB-NRFANRHFSA-N 0 0 470.687 4.380 20 0 JIADRN CSCCCCCn1c(-c2cnccn2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001316454408 1066340629 /nfs/dbraw/zinc/34/06/29/1066340629.db2.gz RKFPHKXJQVZOIC-UHFFFAOYSA-N 0 0 452.628 4.145 20 0 JIADRN CSCCCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001316454733 1066341859 /nfs/dbraw/zinc/34/18/59/1066341859.db2.gz UXOARGBDAHVMQW-OAQYLSRUSA-N 0 0 480.476 4.333 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2CCSCCCO)n1 ZINC001492510854 1066342044 /nfs/dbraw/zinc/34/20/44/1066342044.db2.gz FPLWKFUZLISLAU-UHFFFAOYSA-N 0 0 473.687 4.328 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1 ZINC001492510898 1066342513 /nfs/dbraw/zinc/34/25/13/1066342513.db2.gz GLNQFDFVMJAERB-FPOVZHCZSA-N 0 0 486.661 4.403 20 0 JIADRN CSCCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001316455431 1066342948 /nfs/dbraw/zinc/34/29/48/1066342948.db2.gz GUZYTJKIHUUXES-UHFFFAOYSA-N 0 0 450.656 4.432 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(OCCc4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492511050 1066343928 /nfs/dbraw/zinc/34/39/28/1066343928.db2.gz LETDCPYICOREFN-PGUFJCEWSA-N 0 0 495.693 4.424 20 0 JIADRN O=C(/C=C/c1ccc(I)o1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001329766598 1066343954 /nfs/dbraw/zinc/34/39/54/1066343954.db2.gz RDURYBHJVDBNLJ-KSEUIEODSA-N 0 0 473.314 4.336 20 0 JIADRN CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001316455907 1066344419 /nfs/dbraw/zinc/34/44/19/1066344419.db2.gz ZDOKSLXWOJWBDL-XUVXKRRUSA-N 0 0 454.706 4.263 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492511423 1066344921 /nfs/dbraw/zinc/34/49/21/1066344921.db2.gz YGVUTOIBMKCGHB-RBBKRZOGSA-N 0 0 486.661 4.449 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492511424 1066344937 /nfs/dbraw/zinc/34/49/37/1066344937.db2.gz YGVUTOIBMKCGHB-UNMCSNQZSA-N 0 0 486.661 4.449 20 0 JIADRN CSCCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001316456537 1066345995 /nfs/dbraw/zinc/34/59/95/1066345995.db2.gz YGAZYRLFTQFHBK-NRFANRHFSA-N 0 0 471.593 4.327 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2Cc2ccc([C@@H](C)O)cc2)n1 ZINC001492511890 1066348327 /nfs/dbraw/zinc/34/83/27/1066348327.db2.gz NQCILOFSOSUULH-CTNGQTDRSA-N 0 0 492.624 4.101 20 0 JIADRN O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001330225936 1066348371 /nfs/dbraw/zinc/34/83/71/1066348371.db2.gz RPITXNFXVYIPNL-MRXNPFEDSA-N 0 0 455.308 4.121 20 0 JIADRN Cc1sc(C)c(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CO)CC2)c1Br ZINC001492512022 1066349487 /nfs/dbraw/zinc/34/94/87/1066349487.db2.gz SSSFQWLNTNBNFV-UHFFFAOYSA-N 0 0 476.444 4.346 20 0 JIADRN CSCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001316459011 1066350757 /nfs/dbraw/zinc/35/07/57/1066350757.db2.gz HEPSLSYHVSEXSS-VGOFRKELSA-N 0 0 467.035 4.210 20 0 JIADRN CSCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001316459132 1066351135 /nfs/dbraw/zinc/35/11/35/1066351135.db2.gz PLNHMJLLXLBPHB-SFHVURJKSA-N 0 0 486.045 4.387 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCc2cccc(C(=O)N(C)C)c2)n1 ZINC001492512795 1066351881 /nfs/dbraw/zinc/35/18/81/1066351881.db2.gz QOZJPEZHHSAYNE-HSZRJFAPSA-N 0 0 460.626 4.465 20 0 JIADRN CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001316459391 1066352197 /nfs/dbraw/zinc/35/21/97/1066352197.db2.gz KQTFSSFGNAMNNY-SFHVURJKSA-N 0 0 454.575 4.202 20 0 JIADRN CSCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001316459859 1066353367 /nfs/dbraw/zinc/35/33/67/1066353367.db2.gz QGTWMIVLMPJTIH-HZPDHXFCSA-N 0 0 468.465 4.052 20 0 JIADRN CSCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001316460432 1066355600 /nfs/dbraw/zinc/35/56/00/1066355600.db2.gz ASNIGSIPIFUIRO-UHFFFAOYSA-N 0 0 453.616 4.207 20 0 JIADRN CSCCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001316461563 1066357520 /nfs/dbraw/zinc/35/75/20/1066357520.db2.gz IYRDJYUGNNYCFC-GOSISDBHSA-N 0 0 473.647 4.379 20 0 JIADRN CSCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001316461589 1066357568 /nfs/dbraw/zinc/35/75/68/1066357568.db2.gz BZAFPTBRNHAGDF-HDICACEKSA-N 0 0 467.680 4.149 20 0 JIADRN CSCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001316462388 1066359253 /nfs/dbraw/zinc/35/92/53/1066359253.db2.gz XZUHLVNHUZWNTP-QFBILLFUSA-N 0 0 486.560 4.482 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCc2nccs2)n1 ZINC001492515148 1066359304 /nfs/dbraw/zinc/35/93/04/1066359304.db2.gz YWTJYIQBUUUHPR-GOSISDBHSA-N 0 0 483.642 4.089 20 0 JIADRN CC1CCN(c2nnc(SC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 ZINC001331353385 1066359625 /nfs/dbraw/zinc/35/96/25/1066359625.db2.gz ZGSBEKFDAGICFG-VQTJNVASSA-N 0 0 479.691 4.433 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2Cc2ccc(Cl)cc2)n1 ZINC001492515452 1066360941 /nfs/dbraw/zinc/36/09/41/1066360941.db2.gz CYWIVOSTDBWXDB-UHFFFAOYSA-N 0 0 464.923 4.425 20 0 JIADRN CSCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001316463245 1066360978 /nfs/dbraw/zinc/36/09/78/1066360978.db2.gz QITVXWKVGVAIAW-UHFFFAOYSA-N 0 0 450.656 4.351 20 0 JIADRN COc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001475373649 1066361182 /nfs/dbraw/zinc/36/11/82/1066361182.db2.gz QUANCTZPGFYMPH-FUHWJXTLSA-N 0 0 456.580 4.025 20 0 JIADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)/C=C/c1ccc(I)o1 ZINC001331593674 1066361195 /nfs/dbraw/zinc/36/11/95/1066361195.db2.gz MDJPATLCVSBIIJ-PKNBQFBNSA-N 0 0 482.318 4.239 20 0 JIADRN CSCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001316464130 1066362558 /nfs/dbraw/zinc/36/25/58/1066362558.db2.gz SZYPLGBCRGCICD-IEBWSBKVSA-N 0 0 467.680 4.055 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H]3Cc3cccs3)n2CCCNC(=O)C(C)C)n1 ZINC001492515989 1066363125 /nfs/dbraw/zinc/36/31/25/1066363125.db2.gz MJMMFGJBDBBTFY-LJQANCHMSA-N 0 0 452.628 4.084 20 0 JIADRN CSCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001316464538 1066363375 /nfs/dbraw/zinc/36/33/75/1066363375.db2.gz AEQKEFPZAGUPAT-ZWKOTPCHSA-N 0 0 453.653 4.014 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCCCCC1 ZINC001316464956 1066364422 /nfs/dbraw/zinc/36/44/22/1066364422.db2.gz HEPRRENBJFUYMG-UHFFFAOYSA-N 0 0 481.670 4.317 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCc2ccsc2)n1 ZINC001492516217 1066364740 /nfs/dbraw/zinc/36/47/40/1066364740.db2.gz QEWFAAZIZKPFON-UHFFFAOYSA-N 0 0 450.534 4.027 20 0 JIADRN CSCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001316465126 1066364708 /nfs/dbraw/zinc/36/47/08/1066364708.db2.gz JBNWHQDCHDZIIV-QAQDUYKDSA-N 0 0 454.575 4.373 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCc2nccn2C1 ZINC001316465151 1066364721 /nfs/dbraw/zinc/36/47/21/1066364721.db2.gz FQCHMWTYQGNPLC-AWEZNQCLSA-N 0 0 481.489 4.418 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1csc(C)n1 ZINC001316465264 1066365409 /nfs/dbraw/zinc/36/54/09/1066365409.db2.gz KOUJGLZBSIIDRA-UHFFFAOYSA-N 0 0 469.478 4.243 20 0 JIADRN CSCCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001316465614 1066366653 /nfs/dbraw/zinc/36/66/53/1066366653.db2.gz KCKXLVZKBZKROZ-GOSISDBHSA-N 0 0 490.674 4.250 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)NC(C)C ZINC001316465563 1066366772 /nfs/dbraw/zinc/36/67/72/1066366772.db2.gz KOVGHFUMXMQTKP-UHFFFAOYSA-N 0 0 474.856 4.075 20 0 JIADRN CSCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001316465784 1066366975 /nfs/dbraw/zinc/36/69/75/1066366975.db2.gz KKHYUEXKNYECRP-UXHICEINSA-N 0 0 459.685 4.269 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](c1noc(-c2cc(F)c(N3CCOCC3)c(F)c2)n1)c1ccccc1 ZINC001332017841 1066367540 /nfs/dbraw/zinc/36/75/40/1066367540.db2.gz FGKODIBTVWYNEW-LJQANCHMSA-N 0 0 472.492 4.466 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001492517051 1066367576 /nfs/dbraw/zinc/36/75/76/1066367576.db2.gz FXEQFPASPPGMGX-OAHLLOKOSA-N 0 0 498.475 4.381 20 0 JIADRN Cc1ncsc1CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001492517101 1066368972 /nfs/dbraw/zinc/36/89/72/1066368972.db2.gz HJABAMNRPNBVSJ-KRWDZBQOSA-N 0 0 483.642 4.102 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCn1cc(Br)cn1 ZINC001316466450 1066369739 /nfs/dbraw/zinc/36/97/39/1066369739.db2.gz RVJIAPPZKVCSPS-UHFFFAOYSA-N 0 0 469.840 4.447 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[S@@](=O)C(C)(C)C ZINC001316466462 1066369790 /nfs/dbraw/zinc/36/97/90/1066369790.db2.gz SBWWLGINYWAVHC-HHHXNRCGSA-N 0 0 473.506 4.444 20 0 JIADRN CSCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001316467148 1066371416 /nfs/dbraw/zinc/37/14/16/1066371416.db2.gz STKVLTLOKQNZCR-UHFFFAOYSA-N 0 0 470.618 4.169 20 0 JIADRN CSCCCCn1c(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)nnc1C(C)(C)C ZINC001316467121 1066371506 /nfs/dbraw/zinc/37/15/06/1066371506.db2.gz SJBCOAZINZOECR-UHFFFAOYSA-N 0 0 450.052 4.221 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C)Oc2cccc(F)c2)n1 ZINC001492517257 1066371674 /nfs/dbraw/zinc/37/16/74/1066371674.db2.gz MPJOWAUNMVMUTO-ZWKOTPCHSA-N 0 0 492.521 4.328 20 0 JIADRN CCN(CC)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)n1 ZINC001332164075 1066372552 /nfs/dbraw/zinc/37/25/52/1066372552.db2.gz GBHZERDPYRKYNC-QGZVFWFLSA-N 0 0 484.647 4.377 20 0 JIADRN CSCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cc(COC(C)(C)C)on1 ZINC001316468435 1066372875 /nfs/dbraw/zinc/37/28/75/1066372875.db2.gz MRHYLESVESSYKE-NRFANRHFSA-N 0 0 487.626 4.331 20 0 JIADRN CSCCCN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001316469479 1066374504 /nfs/dbraw/zinc/37/45/04/1066374504.db2.gz FQDLUFUSJWMMQA-INIZCTEOSA-N 0 0 453.678 4.375 20 0 JIADRN CSCCCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001316469997 1066375371 /nfs/dbraw/zinc/37/53/71/1066375371.db2.gz RLQOUGDOCDXWSX-ISKFKSNPSA-N 0 0 468.671 4.497 20 0 JIADRN CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cnc2ccccc21 ZINC001316470790 1066376973 /nfs/dbraw/zinc/37/69/73/1066376973.db2.gz CZSNSDSGKAUKMV-KDURUIRLSA-N 0 0 499.685 4.288 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](c1noc([C@H]2CN(Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503141 1066377470 /nfs/dbraw/zinc/37/74/70/1066377470.db2.gz ZRNKNLRFQWTVKS-NHCUHLMSSA-N 0 0 450.539 4.257 20 0 JIADRN CSCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001316471396 1066378346 /nfs/dbraw/zinc/37/83/46/1066378346.db2.gz CYDIWTPMOQWGGT-FQEVSTJZSA-N 0 0 497.669 4.377 20 0 JIADRN CSCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001316472108 1066379213 /nfs/dbraw/zinc/37/92/13/1066379213.db2.gz CSRWFKSWPLLMRY-SJLPKXTDSA-N 0 0 474.606 4.461 20 0 JIADRN CCn1c2ccccc2c2cc(CN(C)C(=O)NCCNS(=O)(=O)Cc3ccccc3)ccc21 ZINC001332842667 1066379541 /nfs/dbraw/zinc/37/95/41/1066379541.db2.gz DFLYPZMPPKDLQR-UHFFFAOYSA-N 0 0 478.618 4.075 20 0 JIADRN CSCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001316472259 1066379975 /nfs/dbraw/zinc/37/99/75/1066379975.db2.gz MRWQGXAPAFZWAF-UHFFFAOYSA-N 0 0 477.537 4.368 20 0 JIADRN CSCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)c1ccc(C)cc1 ZINC001316472402 1066380131 /nfs/dbraw/zinc/38/01/31/1066380131.db2.gz DVVWXSPPIFVBMA-UHFFFAOYSA-N 0 0 458.657 4.376 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492518863 1066381453 /nfs/dbraw/zinc/38/14/53/1066381453.db2.gz TYZGHLRWMZLHGK-NVXWUHKLSA-N 0 0 454.516 4.107 20 0 JIADRN CSCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001316474105 1066382173 /nfs/dbraw/zinc/38/21/73/1066382173.db2.gz YFFMVPGRBDWTIS-UHFFFAOYSA-N 0 0 452.628 4.128 20 0 JIADRN CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001316474114 1066382530 /nfs/dbraw/zinc/38/25/30/1066382530.db2.gz YMKUFEOJMMQZHX-CYBMUJFWSA-N 0 0 452.506 4.126 20 0 JIADRN CCN1CCN(C(=O)c2ccc(NCc3ccc(OC(F)F)cc3OC(F)F)cc2)CC1 ZINC001333126715 1066383795 /nfs/dbraw/zinc/38/37/95/1066383795.db2.gz GFVWHYKUFFVDKS-UHFFFAOYSA-N 0 0 455.452 4.279 20 0 JIADRN CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001316474820 1066384101 /nfs/dbraw/zinc/38/41/01/1066384101.db2.gz OXAHIILLFQPHPE-CQSZACIVSA-N 0 0 499.479 4.234 20 0 JIADRN CCCCCn1nc(-c2nnc(C3=NN(c4ccccc4)C(=O)CC3)o2)c2ccccc2c1=O ZINC001333146070 1066384235 /nfs/dbraw/zinc/38/42/35/1066384235.db2.gz GJXQNCAKMVAMFD-UHFFFAOYSA-N 0 0 456.506 4.168 20 0 JIADRN O=S(=O)(c1ccc(-c2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1)N1CCCCCC1 ZINC001333147161 1066384543 /nfs/dbraw/zinc/38/45/43/1066384543.db2.gz OYFOOONHTHQWTN-UHFFFAOYSA-N 0 0 451.508 4.018 20 0 JIADRN Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccccc4F)C3)n2CCCOCC(F)F)n1 ZINC001492520354 1066385141 /nfs/dbraw/zinc/38/51/41/1066385141.db2.gz LABZYHMQLFKTNP-HXUWFJFHSA-N 0 0 461.488 4.037 20 0 JIADRN CSCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001316475470 1066385920 /nfs/dbraw/zinc/38/59/20/1066385920.db2.gz QBAMTKRFEYFFPD-MRXNPFEDSA-N 0 0 468.570 4.074 20 0 JIADRN Cc1nn(C)c2nc(C)c(Cc3nc([C@H](NC(=O)OC(C)(C)C)c4ccccc4)no3)c(C)c12 ZINC001333205714 1066386066 /nfs/dbraw/zinc/38/60/66/1066386066.db2.gz RLWSHGDNZFPKDH-OAQYLSRUSA-N 0 0 462.554 4.481 20 0 JIADRN COc1cc(/C=C/C(=O)N2CCCc3c2cccc3S(C)(=O)=O)ccc1OCc1c(C)noc1C ZINC001333236325 1066387517 /nfs/dbraw/zinc/38/75/17/1066387517.db2.gz GRSXMPUBDHSNGZ-ACCUITESSA-N 0 0 496.585 4.275 20 0 JIADRN C[C@@H]1CN(S(=O)(=O)c2ccc(NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)C[C@H](C)O1 ZINC001333440342 1066388476 /nfs/dbraw/zinc/38/84/76/1066388476.db2.gz IDPJCPFESFJRFF-CALCHBBNSA-N 0 0 494.539 4.301 20 0 JIADRN CSCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001316476920 1066388605 /nfs/dbraw/zinc/38/86/05/1066388605.db2.gz FNWYOKRIVYXPSS-KURKYZTESA-N 0 0 453.653 4.012 20 0 JIADRN COc1cccc(Cc2cnc(NC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)s2)c1 ZINC001333557480 1066388877 /nfs/dbraw/zinc/38/88/77/1066388877.db2.gz RSMRXAOCXLIQDB-UHFFFAOYSA-N 0 0 460.515 4.348 20 0 JIADRN CSCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001316477360 1066388927 /nfs/dbraw/zinc/38/89/27/1066388927.db2.gz JUWNZKXREPDBLI-UHFFFAOYSA-N 0 0 491.706 4.132 20 0 JIADRN CSCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001316478303 1066390022 /nfs/dbraw/zinc/39/00/22/1066390022.db2.gz KHKLSCVDMBOLFN-FQEVSTJZSA-N 0 0 453.587 4.255 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2F)n1 ZINC001492522482 1066390236 /nfs/dbraw/zinc/39/02/36/1066390236.db2.gz SVECKFAXRGWQJQ-SFHVURJKSA-N 0 0 484.551 4.273 20 0 JIADRN Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001492522753 1066390924 /nfs/dbraw/zinc/39/09/24/1066390924.db2.gz BMVORRWESMCANW-YADHBBJMSA-N 0 0 496.656 4.466 20 0 JIADRN CSCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001316478650 1066391203 /nfs/dbraw/zinc/39/12/03/1066391203.db2.gz PSMVXNZTLSRHPL-UHFFFAOYSA-N 0 0 477.560 4.492 20 0 JIADRN CSCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001316478876 1066391884 /nfs/dbraw/zinc/39/18/84/1066391884.db2.gz MJRRTXDCEVBLHL-UHFFFAOYSA-N 0 0 498.480 4.366 20 0 JIADRN CSCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001316479065 1066392382 /nfs/dbraw/zinc/39/23/82/1066392382.db2.gz OVGSNMZIGPCZTR-SFHVURJKSA-N 0 0 461.632 4.022 20 0 JIADRN CSCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001316479123 1066392529 /nfs/dbraw/zinc/39/25/29/1066392529.db2.gz QKAJTTARGHXJGT-UHFFFAOYSA-N 0 0 468.092 4.329 20 0 JIADRN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(Cc1nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no1)C2=O ZINC001334080615 1066392824 /nfs/dbraw/zinc/39/28/24/1066392824.db2.gz IMFNFRVHKSIUAQ-LLFIXNMYSA-N 0 0 497.596 4.321 20 0 JIADRN CC(C)(C)OC(=O)N1CCc2ccc(Cc3nc([C@@H]4COCCN4C(=O)OC(C)(C)C)no3)cc21 ZINC001334080984 1066393085 /nfs/dbraw/zinc/39/30/85/1066393085.db2.gz JGKBCEHQUOFHFQ-IBGZPJMESA-N 0 0 486.569 4.266 20 0 JIADRN CC(C)(C)OC(=O)N[C@H](c1noc([C@@H](c2cccc(F)c2)N2CCOCC2)n1)c1ccccc1 ZINC001334081028 1066393295 /nfs/dbraw/zinc/39/32/95/1066393295.db2.gz JYMGSNLORSTVMJ-LEWJYISDSA-N 0 0 468.529 4.244 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CSCCS2)C[C@@H]1O ZINC001316480633 1066394997 /nfs/dbraw/zinc/39/49/97/1066394997.db2.gz RAIFRPHNCKADDF-MRRJBJDNSA-N 0 0 459.468 4.308 20 0 JIADRN C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nnc(C(C)(C)C)s2)C[C@@H]1O ZINC001316480669 1066395302 /nfs/dbraw/zinc/39/53/02/1066395302.db2.gz SKUOMKBXMSLRPJ-CJNGLKHVSA-N 0 0 491.459 4.112 20 0 JIADRN CSCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001316480861 1066395480 /nfs/dbraw/zinc/39/54/80/1066395480.db2.gz FSADCBXMJLFKBF-FQEVSTJZSA-N 0 0 470.643 4.378 20 0 JIADRN CSCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001316481249 1066396253 /nfs/dbraw/zinc/39/62/53/1066396253.db2.gz JPBLYSQUUNDFQI-HXUWFJFHSA-N 0 0 479.025 4.263 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC001334513573 1066396393 /nfs/dbraw/zinc/39/63/93/1066396393.db2.gz JZHYBHCOIRCYFS-UYAOXDASSA-N 0 0 453.587 4.024 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 ZINC001316481495 1066396732 /nfs/dbraw/zinc/39/67/32/1066396732.db2.gz HCWGCZJLWMFGGK-SFHVURJKSA-N 0 0 484.611 4.080 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCc1ccco1 ZINC001316481808 1066397733 /nfs/dbraw/zinc/39/77/33/1066397733.db2.gz MGKGDFCSYHDZBO-SFHVURJKSA-N 0 0 469.561 4.311 20 0 JIADRN Cc1cccc([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001492524328 1066397841 /nfs/dbraw/zinc/39/78/41/1066397841.db2.gz KXSJBYHNDWFSNH-UNMCSNQZSA-N 0 0 493.656 4.484 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCCS1(=O)=O ZINC001316482055 1066398406 /nfs/dbraw/zinc/39/84/06/1066398406.db2.gz OUMOHZZLWBDIJV-NZQKXSOJSA-N 0 0 458.672 4.436 20 0 JIADRN CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001316482469 1066398936 /nfs/dbraw/zinc/39/89/36/1066398936.db2.gz LVFJUGWJUIDVSU-NHCUHLMSSA-N 0 0 489.661 4.051 20 0 JIADRN Cc1cccc([C@@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](N3CCOCC3)C(F)(F)F)C2)c1 ZINC001492524802 1066399189 /nfs/dbraw/zinc/39/91/89/1066399189.db2.gz YIECTQNMIJFKJT-YADHBBJMSA-N 0 0 479.591 4.432 20 0 JIADRN CC(C)n1ncc2c1[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)CCC2 ZINC001334793682 1066399205 /nfs/dbraw/zinc/39/92/05/1066399205.db2.gz ICCMKJWYBPFVQL-PZJWPPBQSA-N 0 0 451.398 4.338 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](c1noc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1)c1ccccc1 ZINC001334873432 1066402455 /nfs/dbraw/zinc/40/24/55/1066402455.db2.gz OALLDXRXFQTCAX-TZIWHRDSSA-N 0 0 498.605 4.252 20 0 JIADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1Cc1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001334873415 1066402646 /nfs/dbraw/zinc/40/26/46/1066402646.db2.gz NRIDKNIHVPBWKD-QFIPXVFZSA-N 0 0 489.580 4.484 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCc1ccccc1 ZINC001316485048 1066405217 /nfs/dbraw/zinc/40/52/17/1066405217.db2.gz COAZMUACAIHING-YMPZKCBVSA-N 0 0 499.656 4.081 20 0 JIADRN Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCOC[C@@H]2C)n1 ZINC001492525539 1066406037 /nfs/dbraw/zinc/40/60/37/1066406037.db2.gz SSYXPGQCFWHZDS-INIZCTEOSA-N 0 0 474.378 4.408 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001316486043 1066406497 /nfs/dbraw/zinc/40/64/97/1066406497.db2.gz QKSJNGLONGMANP-YZGWKJHDSA-N 0 0 475.659 4.049 20 0 JIADRN Cc1cccc(CCCn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)n1 ZINC001492525717 1066407008 /nfs/dbraw/zinc/40/70/08/1066407008.db2.gz WVWDHPYXRPMCAF-UHFFFAOYSA-N 0 0 485.636 4.489 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1 ZINC001492525680 1066407140 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MDWLGDBRABLGRN-UHFFFAOYSA-N 0 0 450.539 4.148 20 0 JIADRN O=C1CC[C@H](c2nnc(N3CCCCCCC3)n2C[C@@H](F)c2ccc(Br)cc2)N1 ZINC001316570461 1066590552 /nfs/dbraw/zinc/59/05/52/1066590552.db2.gz NVWVAMXIVLADCN-QZTJIDSGSA-N 0 0 464.383 4.473 20 0 JIADRN CCC(=O)c1ccc(OC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)cc1 ZINC001341974550 1066591980 /nfs/dbraw/zinc/59/19/80/1066591980.db2.gz DTBCINJWSUJESP-GOSISDBHSA-N 0 0 464.381 4.499 20 0 JIADRN COCCc1ccc(OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC001341966049 1066592156 /nfs/dbraw/zinc/59/21/56/1066592156.db2.gz RNIBCWDHAUBWFY-SFHVURJKSA-N 0 0 451.544 4.235 20 0 JIADRN O=S1(=O)CC[C@@H](c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2ccccc2Cl)C1 ZINC001316575987 1066592496 /nfs/dbraw/zinc/59/24/96/1066592496.db2.gz FMGHLSCJNXIBMQ-MRXNPFEDSA-N 0 0 476.952 4.051 20 0 JIADRN Cc1cccc(NC2CCN(c3nnc([C@H]4CCCOC4)n3CCOCC(F)(F)C(F)F)CC2)c1 ZINC001492536957 1066592583 /nfs/dbraw/zinc/59/25/83/1066592583.db2.gz MAZDNAJJHUULGD-SFHVURJKSA-N 0 0 499.553 4.478 20 0 JIADRN Cc1cccc(NC2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C(C)C)CC2)c1 ZINC001492537099 1066592888 /nfs/dbraw/zinc/59/28/88/1066592888.db2.gz PCGNWWBJCGHFHR-UHFFFAOYSA-N 0 0 452.647 4.472 20 0 JIADRN O=S1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOC2CCCCCC2)CC1 ZINC001316578412 1066594039 /nfs/dbraw/zinc/59/40/39/1066594039.db2.gz ASZNJUDSQFZBOP-UHFFFAOYSA-N 0 0 454.999 4.046 20 0 JIADRN O=S1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001316578397 1066594134 /nfs/dbraw/zinc/59/41/34/1066594134.db2.gz AIROKQRAIIXSKS-OAHLLOKOSA-N 0 0 487.414 4.492 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001492537664 1066594420 /nfs/dbraw/zinc/59/44/20/1066594420.db2.gz FKFHNDXUPBIBCI-HOYKHHGWSA-N 0 0 455.990 4.401 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001492537812 1066594868 /nfs/dbraw/zinc/59/48/68/1066594868.db2.gz KLNWSKVRERPYKH-RXVVDRJESA-N 0 0 455.990 4.401 20 0 JIADRN OC1(c2ccccc2)CCN(c2nnc(Cc3ccsc3)n2CC(F)(F)Br)CC1 ZINC001316581457 1066595889 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OCC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001316585244 1066606296 /nfs/dbraw/zinc/60/62/96/1066606296.db2.gz PTCYMFAZDOZIME-DOTOQJQBSA-N 0 0 483.838 4.121 20 0 JIADRN O[C@@H]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001316585837 1066607578 /nfs/dbraw/zinc/60/75/78/1066607578.db2.gz XYENESDQJISOJX-OUCADQQQSA-N 0 0 495.365 4.088 20 0 JIADRN OCCCC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001316586216 1066609203 /nfs/dbraw/zinc/60/92/03/1066609203.db2.gz KGFIKYBXUMSCCX-OAQYLSRUSA-N 0 0 482.547 4.498 20 0 JIADRN OCCCC1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCCC2)CC1 ZINC001316586286 1066609872 /nfs/dbraw/zinc/60/98/72/1066609872.db2.gz NFFDFQHGOANUMD-UHFFFAOYSA-N 0 0 463.420 4.002 20 0 JIADRN OCCCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2ccccn2)CC1 ZINC001316586262 1066609893 /nfs/dbraw/zinc/60/98/93/1066609893.db2.gz MCFUPKTYUFPLGH-UHFFFAOYSA-N 0 0 455.006 4.485 20 0 JIADRN OCCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001316586641 1066611298 /nfs/dbraw/zinc/61/12/98/1066611298.db2.gz AAUSZJWZIHZEAG-VQTJNVASSA-N 0 0 452.958 4.053 20 0 JIADRN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1noc(-c2ccc(F)cc2)n1 ZINC001343348390 1066611669 /nfs/dbraw/zinc/61/16/69/1066611669.db2.gz DELCYLFLHARCQQ-GUEZKQMUSA-N 0 0 455.530 4.276 20 0 JIADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3cccc(OC)c3OC)C2)c2ccccc12 ZINC001343335186 1066611730 /nfs/dbraw/zinc/61/17/30/1066611730.db2.gz MOXINWVDYMNDIV-SFHVURJKSA-N 0 0 463.530 4.461 20 0 JIADRN OCCCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001316586993 1066611656 /nfs/dbraw/zinc/61/16/56/1066611656.db2.gz CQQXCXWLKJQFTJ-OAQYLSRUSA-N 0 0 459.953 4.263 20 0 JIADRN OCCCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001316587312 1066612521 /nfs/dbraw/zinc/61/25/21/1066612521.db2.gz IWAPOAGBKXQVJO-QFIPXVFZSA-N 0 0 489.542 4.413 20 0 JIADRN CC(C)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001343393615 1066612667 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466.529 4.280 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3ccon3)n2Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC001492538614 1066617274 /nfs/dbraw/zinc/61/72/74/1066617274.db2.gz LSWWIMBSLQNSQX-UHFFFAOYSA-N 0 0 488.470 4.174 20 0 JIADRN OCCCCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 ZINC001316589122 1066617357 /nfs/dbraw/zinc/61/73/57/1066617357.db2.gz PEZGYMDFDWUJTF-UHFFFAOYSA-N 0 0 499.335 4.239 20 0 JIADRN OCCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001316588914 1066617390 /nfs/dbraw/zinc/61/73/90/1066617390.db2.gz VHFDTOKAJUJISR-UHFFFAOYSA-N 0 0 461.397 4.136 20 0 JIADRN OCCCCN(c1nnc(-c2ccccc2Br)n1CCc1nccs1)C1CC1 ZINC001316589166 1066618142 /nfs/dbraw/zinc/61/81/42/1066618142.db2.gz QPOYPWSPBVUJGD-UHFFFAOYSA-N 0 0 462.417 4.148 20 0 JIADRN OCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001316590632 1066620157 /nfs/dbraw/zinc/62/01/57/1066620157.db2.gz SCRXRGBKFWJYBK-UHFFFAOYSA-N 0 0 482.799 4.262 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)Cc3cscn3)n2CCCN2CCCCCC2=O)c1 ZINC001492538832 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CN(Cc1cccc(Cl)c1)C(=O)c1cnn(-c2ccccc2)c1I ZINC001349263633 1066824965 /nfs/dbraw/zinc/82/49/65/1066824965.db2.gz KYSKQNYXKDNICD-UHFFFAOYSA-N 0 0 451.695 4.403 20 0 JIADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001317973886 1066825245 /nfs/dbraw/zinc/82/52/45/1066825245.db2.gz DLBLCTPYOAVOQO-GOSISDBHSA-N 0 0 464.541 4.389 20 0 JIADRN O=C(CNC(=O)c1cc(Br)c2nccnc2c1)Nc1cc(Cl)ccc1Cl ZINC001349276215 1066825454 /nfs/dbraw/zinc/82/54/54/1066825454.db2.gz FRYWWHQTRAPLNB-UHFFFAOYSA-N 0 0 454.111 4.068 20 0 JIADRN COc1ccc(OC)c(-c2csc(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)n2)c1 ZINC001349272215 1066825518 /nfs/dbraw/zinc/82/55/18/1066825518.db2.gz QYXUYPBIWDIBPP-UHFFFAOYSA-N 0 0 454.483 4.088 20 0 JIADRN COc1ccc(CC(=O)NCc2ccc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cc2)cc1 ZINC001317974166 1066825693 /nfs/dbraw/zinc/82/56/93/1066825693.db2.gz HCYPXJHSHNQTKL-UHFFFAOYSA-N 0 0 486.568 4.147 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@H]3c3cccs3)n2CCCC(=O)N(C)C)c1 ZINC001492546453 1066826120 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SRHFNLOUOJIGCV-SMDDNHRTSA-N 0 0 457.449 4.460 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)NC[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001200819385 1067285897 /nfs/dbraw/zinc/28/58/97/1067285897.db2.gz MTCUUKLMCSBFEF-RNODOKPDSA-N 0 0 460.427 4.472 20 0 JIADRN Cc1ccc(-c2ccc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)cc2)nn1 ZINC001352099248 1067286630 /nfs/dbraw/zinc/28/66/30/1067286630.db2.gz HUYAMEZRTVWVGP-UHFFFAOYSA-N 0 0 453.340 4.303 20 0 JIADRN Cc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCSCC4)cc3C)CCOCC2)cc1C ZINC001352101237 1067287359 /nfs/dbraw/zinc/28/73/59/1067287359.db2.gz ZXLOFHPEERGYIQ-UHFFFAOYSA-N 0 0 452.620 4.488 20 0 JIADRN COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2I)c(C)c1 ZINC001322405679 1067287738 /nfs/dbraw/zinc/28/77/38/1067287738.db2.gz ZGZJTYHKVBCUIH-UHFFFAOYSA-N 0 0 474.092 4.401 20 0 JIADRN Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(F)(F)c2ccc(Br)cc2)cc1 ZINC001352103158 1067287822 /nfs/dbraw/zinc/28/78/22/1067287822.db2.gz DHTHPQXHJCLWSS-IBGZPJMESA-N 0 0 453.327 4.039 20 0 JIADRN CCOC(=O)c1[nH]c(C)c(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1C ZINC001200819817 1067288021 /nfs/dbraw/zinc/28/80/21/1067288021.db2.gz DBGUPEKKWNIFNL-HSZRJFAPSA-N 0 0 458.555 4.230 20 0 JIADRN CCCCn1c2nc(CCC(=O)NC(C)(C)C3CCCCC3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC001322412871 1067288340 /nfs/dbraw/zinc/28/83/40/1067288340.db2.gz MJQPCDSSIOBTBZ-UHFFFAOYSA-N 0 0 459.635 4.162 20 0 JIADRN CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001322422605 1067289639 /nfs/dbraw/zinc/28/96/39/1067289639.db2.gz DYCXTYFRVSYCJS-UHFFFAOYSA-N 0 0 456.296 4.453 20 0 JIADRN CC(=O)c1cc(Br)ccc1OS(=O)(=O)Cc1ccc(Br)cc1F ZINC001322423167 1067290329 /nfs/dbraw/zinc/29/03/29/1067290329.db2.gz IEQHXNDLUGKLBO-UHFFFAOYSA-N 0 0 466.122 4.462 20 0 JIADRN COc1cc(OC)cc(N2C[C@@H](C(=O)O[C@H](C)c3nc4ccccc4n3C(F)F)CC2=O)c1 ZINC001352114429 1067290600 /nfs/dbraw/zinc/29/06/00/1067290600.db2.gz QMKZQPOFBOOVEZ-KGLIPLIRSA-N 0 0 459.449 4.106 20 0 JIADRN Cc1cccc2[nH]cc(CCn3c(Cc4ccsc4)nnc3N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c21 ZINC001492551171 1067291672 /nfs/dbraw/zinc/29/16/72/1067291672.db2.gz FMKJUCNPPFHISQ-MSOLQXFVSA-N 0 0 485.679 4.221 20 0 JIADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1CCOc1cccc(C)c1 ZINC001492551158 1067291836 /nfs/dbraw/zinc/29/18/36/1067291836.db2.gz FCFRJOFXIRQXNO-UHFFFAOYSA-N 0 0 450.612 4.305 20 0 JIADRN CO[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)c2cccs2)C1 ZINC001300758473 1067291899 /nfs/dbraw/zinc/29/18/99/1067291899.db2.gz TVNXSCFVTWCHBJ-VFNWGFHPSA-N 0 0 495.418 4.431 20 0 JIADRN CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CSCCS2)C1 ZINC001300758470 1067291978 /nfs/dbraw/zinc/29/19/78/1067291978.db2.gz TTWKIEKCEFLFFU-SJORKVTESA-N 0 0 469.474 4.171 20 0 JIADRN CO[C@@H](CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC)C1)C(F)(F)F ZINC001300758730 1067292595 /nfs/dbraw/zinc/29/25/95/1067292595.db2.gz FIAHMQFEGXJPAC-CJNGLKHVSA-N 0 0 477.325 4.290 20 0 JIADRN CCn1c(CCNC(=O)c2nn(-c3ccccc3F)cc2Br)nc2ccccc21 ZINC001322436301 1067292820 /nfs/dbraw/zinc/29/28/20/1067292820.db2.gz LDPGFRNZMKTZIM-UHFFFAOYSA-N 0 0 456.319 4.116 20 0 JIADRN O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCCc1nnc2n1CCCCC2 ZINC001322449885 1067294187 /nfs/dbraw/zinc/29/41/87/1067294187.db2.gz FQFPDZSXABKCHS-UHFFFAOYSA-N 0 0 450.395 4.336 20 0 JIADRN Cc1cccc2c1CCN(c1nnc([C@]3(OC(C)C)CCOC3)n1CC(F)(F)Br)C2 ZINC001492551466 1067294485 /nfs/dbraw/zinc/29/44/85/1067294485.db2.gz BEOXYXBVQNLQLV-FQEVSTJZSA-N 0 0 485.373 4.178 20 0 JIADRN O=S(=O)(Cc1ccc(Br)cc1F)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001322450630 1067294813 /nfs/dbraw/zinc/29/48/13/1067294813.db2.gz WTQHQRGHXUAQFI-OAHLLOKOSA-N 0 0 492.208 4.049 20 0 JIADRN CCOC(=O)c1cc(S(=O)(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1F ZINC001322450231 1067294883 /nfs/dbraw/zinc/29/48/83/1067294883.db2.gz UIYLXBDQOMOOKC-UHFFFAOYSA-N 0 0 473.522 4.088 20 0 JIADRN Cc1cccc2c1CCN(c1nnc(Cc3cccnc3)n1CCCN(C)CC(F)(F)F)C2 ZINC001492551503 1067295158 /nfs/dbraw/zinc/29/51/58/1067295158.db2.gz CSSKFUSTOYNYOD-UHFFFAOYSA-N 0 0 458.532 4.019 20 0 JIADRN C[C@@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1ccc(Br)s1 ZINC001352128884 1067295179 /nfs/dbraw/zinc/29/51/79/1067295179.db2.gz GEMGQARXBDKOTJ-CQSZACIVSA-N 0 0 457.821 4.491 20 0 JIADRN CC(=O)N[C@@H](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)c1ccc(Br)cc1 ZINC001322451652 1067295417 /nfs/dbraw/zinc/29/54/17/1067295417.db2.gz GVKBHIATVHHBBT-FQEVSTJZSA-N 0 0 455.356 4.458 20 0 JIADRN O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC001354941317 1067295561 /nfs/dbraw/zinc/29/55/61/1067295561.db2.gz ZXDPDNFTRFXBBW-INIZCTEOSA-N 0 0 459.237 4.310 20 0 JIADRN CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)c3cn(Cc4ccccn4)nn3)cc2)cc1 ZINC001352133322 1067296363 /nfs/dbraw/zinc/29/63/63/1067296363.db2.gz UIRBHTBCBMNYNM-UHFFFAOYSA-N 0 0 455.518 4.490 20 0 JIADRN COC(=O)COc1ccc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc1 ZINC001354942215 1067296522 /nfs/dbraw/zinc/29/65/22/1067296522.db2.gz UDYOQYKUJBSYNH-UHFFFAOYSA-N 0 0 451.262 4.365 20 0 JIADRN CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCc3sc(Br)cc3C2)c1 ZINC001200822290 1067296687 /nfs/dbraw/zinc/29/66/87/1067296687.db2.gz PTIRXJGTEVWKTA-UHFFFAOYSA-N 0 0 458.403 4.253 20 0 JIADRN Cc1c(NC(=O)N2CCC(Nc3ccccc3Cl)CC2)cccc1C(=O)N1CCOCC1 ZINC001322460208 1067297024 /nfs/dbraw/zinc/29/70/24/1067297024.db2.gz KOSMOXBWAGTHQR-UHFFFAOYSA-N 0 0 456.974 4.229 20 0 JIADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC001352135850 1067296979 /nfs/dbraw/zinc/29/69/79/1067296979.db2.gz MZCCAOKQBZVVKQ-UHFFFAOYSA-N 0 0 456.493 4.148 20 0 JIADRN Cc1cccc2[nH]cc(CCn3c(CC(C)C)nnc3N3CCC(C(=O)NCC(F)(F)F)CC3)c21 ZINC001492551903 1067298761 /nfs/dbraw/zinc/29/87/61/1067298761.db2.gz SYINBCGPKAWSGN-UHFFFAOYSA-N 0 0 490.574 4.404 20 0 JIADRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnn(-c2ccccc2)c1Br ZINC001352144882 1067299257 /nfs/dbraw/zinc/29/92/57/1067299257.db2.gz UVIYRUFRPOHEBP-HNNXBMFYSA-N 0 0 451.328 4.049 20 0 JIADRN CO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001300761071 1067300226 /nfs/dbraw/zinc/30/02/26/1067300226.db2.gz DVSUJVUCURIGJE-RBUKOAKNSA-N 0 0 473.593 4.347 20 0 JIADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C(C)C)[nH]3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC001322509858 1067300464 /nfs/dbraw/zinc/30/04/64/1067300464.db2.gz IVDWENNHZUKGEM-CVDCTZTESA-N 0 0 493.564 4.077 20 0 JIADRN O=C(CCCOc1ccccc1Br)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001354949363 1067301154 /nfs/dbraw/zinc/30/11/54/1067301154.db2.gz YUQODZZYEQZKBL-LJQANCHMSA-N 0 0 459.384 4.419 20 0 JIADRN O=C(Nc1ccc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)c(C(F)(F)F)c1)c1ccccc1 ZINC001354953778 1067302433 /nfs/dbraw/zinc/30/24/33/1067302433.db2.gz YIUDYRUQWINDCJ-HXUWFJFHSA-N 0 0 454.408 4.484 20 0 JIADRN COc1ccc(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)nc1Br ZINC001354953273 1067302678 /nfs/dbraw/zinc/30/26/78/1067302678.db2.gz WFKKBYNHWMAOCA-UHFFFAOYSA-N 0 0 457.271 4.268 20 0 JIADRN CC(C)n1c2ccccc2n2c(SCc3cc(=O)n4cc(Br)ccc4n3)nnc21 ZINC000847204820 1067303051 /nfs/dbraw/zinc/30/30/51/1067303051.db2.gz FPTXMPPJIGDHPF-UHFFFAOYSA-N 0 0 469.368 4.328 20 0 JIADRN COCCOCc1cccc(NC(=O)C2(c3ccc(I)cc3)CC2)c1 ZINC001354954846 1067303010 /nfs/dbraw/zinc/30/30/10/1067303010.db2.gz ZRALSDDZBWERDZ-UHFFFAOYSA-N 0 0 451.304 4.125 20 0 JIADRN C[C@H]1CN(C(C)(C)CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C[C@H](C)O1 ZINC001352162561 1067303312 /nfs/dbraw/zinc/30/33/12/1067303312.db2.gz KWPOZBVQFCDUJI-GJZGRUSLSA-N 0 0 451.583 4.370 20 0 JIADRN COc1ccccc1NC(=O)C1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)CC1 ZINC001354955888 1067303481 /nfs/dbraw/zinc/30/34/81/1067303481.db2.gz CHACDZCAQXQSHU-UHFFFAOYSA-N 0 0 459.546 4.089 20 0 JIADRN C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC001354956191 1067303837 /nfs/dbraw/zinc/30/38/37/1067303837.db2.gz IPBRXXOPVQEJCY-PBHICJAKSA-N 0 0 453.008 4.412 20 0 JIADRN C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C[C@@H](C)O1 ZINC001352163357 1067304089 /nfs/dbraw/zinc/30/40/89/1067304089.db2.gz QQOUWWBHTFIOOI-IAGOWNOFSA-N 0 0 456.974 4.403 20 0 JIADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001354958278 1067304585 /nfs/dbraw/zinc/30/45/85/1067304585.db2.gz GIGFFWJQQBIWRA-HXUWFJFHSA-N 0 0 457.361 4.390 20 0 JIADRN COC(=O)c1cc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)n(-c2ccccc2)n1 ZINC001322600169 1067305038 /nfs/dbraw/zinc/30/50/38/1067305038.db2.gz KZDTYFGCONSIRJ-UHFFFAOYSA-N 0 0 487.537 4.138 20 0 JIADRN Cn1cc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c(C2CCCC2)n1 ZINC001352166368 1067305117 /nfs/dbraw/zinc/30/51/17/1067305117.db2.gz RCXLGVPZKPNMRZ-UHFFFAOYSA-N 0 0 459.388 4.331 20 0 JIADRN CCOc1ccc(CN(C)C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1OC ZINC001322591844 1067305168 /nfs/dbraw/zinc/30/51/68/1067305168.db2.gz VXJORAZOTPTNMF-UHFFFAOYSA-N 0 0 453.560 4.340 20 0 JIADRN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(Cn3nnc(-c4ccc(F)cc4)n3)nc(=O)c12 ZINC001322594822 1067305297 /nfs/dbraw/zinc/30/52/97/1067305297.db2.gz JZSFYEHMRKIHMD-UHFFFAOYSA-N 0 0 489.536 4.003 20 0 JIADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001300764489 1067305985 /nfs/dbraw/zinc/30/59/85/1067305985.db2.gz LELLTDMRKSBOGG-GVDBMIGSSA-N 0 0 464.525 4.050 20 0 JIADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)c21 ZINC001354961871 1067306299 /nfs/dbraw/zinc/30/62/99/1067306299.db2.gz FLUJBWRPGDKNKF-UHFFFAOYSA-N 0 0 451.836 4.129 20 0 JIADRN COc1ccc(N(Cc2ccccc2)C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC001322613136 1067306300 /nfs/dbraw/zinc/30/63/00/1067306300.db2.gz AUBNOPYYAYYBML-UHFFFAOYSA-N 0 0 458.514 4.313 20 0 JIADRN COc1ccc(N(Cc2ccccc2)C(=O)CSCc2cc(=O)n3ccsc3n2)cc1OC ZINC001322613831 1067306478 /nfs/dbraw/zinc/30/64/78/1067306478.db2.gz JVWVBDSQVRUSMZ-UHFFFAOYSA-N 0 0 481.599 4.240 20 0 JIADRN COc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1OC(F)F ZINC001352183216 1067306468 /nfs/dbraw/zinc/30/64/68/1067306468.db2.gz DSWODPCEGGTKMG-IRXDYDNUSA-N 0 0 454.514 4.433 20 0 JIADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1)N1CCCC[C@@H]1CO ZINC001322613124 1067306580 /nfs/dbraw/zinc/30/65/80/1067306580.db2.gz AEGKQNIDQBLMDS-HSZRJFAPSA-N 0 0 480.586 4.053 20 0 JIADRN CC(C)n1c2ccccc2n2c(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nnc21 ZINC000847218783 1067306932 /nfs/dbraw/zinc/30/69/32/1067306932.db2.gz CSHZFAICKSQXEZ-KRWDZBQOSA-N 0 0 464.595 4.221 20 0 JIADRN Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(C(=O)N3CCCC3)cc2)c(Br)c1 ZINC001322614679 1067307059 /nfs/dbraw/zinc/30/70/59/1067307059.db2.gz XKCWSTQKADMWGT-BCOMRZATSA-N 0 0 477.424 4.269 20 0 JIADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001352187746 1067307647 /nfs/dbraw/zinc/30/76/47/1067307647.db2.gz FKHMMYBOMYTKRO-ZWKOTPCHSA-N 0 0 457.260 4.137 20 0 JIADRN Cc1nc(NC(=O)c2c(F)cc(Br)cc2F)ccc1I ZINC001354965868 1067308826 /nfs/dbraw/zinc/30/88/26/1067308826.db2.gz PCEYWAKROJZMAA-UHFFFAOYSA-N 0 0 453.024 4.288 20 0 JIADRN COc1cc(NC(=O)COC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc(OC)c1OC ZINC001322816377 1067309494 /nfs/dbraw/zinc/30/94/94/1067309494.db2.gz ZXDLPAYPSJNASA-UHFFFAOYSA-N 0 0 497.523 4.237 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC001352203165 1067309887 /nfs/dbraw/zinc/30/98/87/1067309887.db2.gz NCFIFKLNIOCKAY-GDBMZVCRSA-N 0 0 453.377 4.079 20 0 JIADRN C[C@@H]1CCc2nc(NC(=O)N3CCN(Cc4nc(-c5ccc(Cl)cc5)no4)CC3)sc2C1 ZINC001322872034 1067310067 /nfs/dbraw/zinc/31/00/67/1067310067.db2.gz MZDRGEDAXJUYPZ-CQSZACIVSA-N 0 0 473.002 4.321 20 0 JIADRN C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cccc(Cl)c1 ZINC001352205994 1067310187 /nfs/dbraw/zinc/31/01/87/1067310187.db2.gz DKNMMLIRLDIPAV-BUESGFEBSA-N 0 0 458.923 4.025 20 0 JIADRN C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cccc(Cl)c1 ZINC001352206001 1067310347 /nfs/dbraw/zinc/31/03/47/1067310347.db2.gz DKNMMLIRLDIPAV-UZPSYVQNSA-N 0 0 458.923 4.025 20 0 JIADRN COC(=O)C[C@H](NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1cccs1 ZINC001322872540 1067310243 /nfs/dbraw/zinc/31/02/43/1067310243.db2.gz SZVQWAMQAGBWFQ-SFHVURJKSA-N 0 0 453.520 4.435 20 0 JIADRN C[C@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001354969650 1067310303 /nfs/dbraw/zinc/31/03/03/1067310303.db2.gz GFANPYLBUCEDQA-FQEVSTJZSA-N 0 0 450.604 4.216 20 0 JIADRN O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC001354969753 1067310499 /nfs/dbraw/zinc/31/04/99/1067310499.db2.gz HIIZOITUYJZTJM-UHFFFAOYSA-N 0 0 452.514 4.167 20 0 JIADRN CCc1ccc(N2C[C@H](C(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)CC2=O)cc1 ZINC001354970075 1067310564 /nfs/dbraw/zinc/31/05/64/1067310564.db2.gz KADJOGXMRUAIQP-OAQYLSRUSA-N 0 0 459.521 4.310 20 0 JIADRN O=C(COC(=O)Cc1csc(COc2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC001352210049 1067310610 /nfs/dbraw/zinc/31/06/10/1067310610.db2.gz RTHMAHNTNODNAL-UHFFFAOYSA-N 0 0 450.438 4.465 20 0 JIADRN O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001352212640 1067310964 /nfs/dbraw/zinc/31/09/64/1067310964.db2.gz IIZHZVGIXNUDCV-UHFFFAOYSA-N 0 0 457.303 4.052 20 0 JIADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1ccc(N(C)C)cc1C)C2 ZINC001354972933 1067311537 /nfs/dbraw/zinc/31/15/37/1067311537.db2.gz XQQBFRSJRYYFPO-FQEVSTJZSA-N 0 0 455.555 4.383 20 0 JIADRN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001352217924 1067311911 /nfs/dbraw/zinc/31/19/11/1067311911.db2.gz BNTPSEXXVHYSTF-JNSUZQQQSA-N 0 0 456.608 4.027 20 0 JIADRN COCC[S@@](=O)Cc1cccc(NC(=O)N2CCC(Nc3ccccc3Cl)CC2)c1 ZINC001322942837 1067312434 /nfs/dbraw/zinc/31/24/34/1067312434.db2.gz ZQORGLRABVLYFB-SSEXGKCCSA-N 0 0 450.004 4.344 20 0 JIADRN CC(C)[C@@H](SCc1ccccc1)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001352220022 1067312593 /nfs/dbraw/zinc/31/25/93/1067312593.db2.gz PAXNICZISCQIKS-QRRJMBGHSA-N 0 0 455.605 4.192 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)NCC(=O)NCC(=O)Nc1ccc2ccccc2c1 ZINC001200830012 1067312682 /nfs/dbraw/zinc/31/26/82/1067312682.db2.gz RMQVIKVJOGWZNW-UHFFFAOYSA-N 0 0 475.401 4.496 20 0 JIADRN Cc1cccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCCCC(F)(F)C2)n1 ZINC001492494296 1067313071 /nfs/dbraw/zinc/31/30/71/1067313071.db2.gz BFQAXGZHYUREAM-KZNAEPCWSA-N 0 0 469.602 4.122 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)F ZINC001492579340 1067313120 /nfs/dbraw/zinc/31/31/20/1067313120.db2.gz IMMBXTQXIXNLJI-WBVHZDCISA-N 0 0 453.509 4.089 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)n(C)c1 ZINC001352228488 1067313226 /nfs/dbraw/zinc/31/32/26/1067313226.db2.gz WPYVKAXWYPYEIF-UHFFFAOYSA-N 0 0 452.020 4.298 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001492579384 1067314058 /nfs/dbraw/zinc/31/40/58/1067314058.db2.gz JLGXVDYPMQYPPB-KDURUIRLSA-N 0 0 459.660 4.422 20 0 JIADRN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC001323088979 1067314335 /nfs/dbraw/zinc/31/43/35/1067314335.db2.gz SKRNMKXUKOOUFU-UHFFFAOYSA-N 0 0 473.589 4.482 20 0 JIADRN CCc1c(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cnn1-c1cccc(Cl)c1 ZINC001354979266 1067314516 /nfs/dbraw/zinc/31/45/16/1067314516.db2.gz RIGBDHYATYSWJT-QGZVFWFLSA-N 0 0 454.958 4.114 20 0 JIADRN O=C(COc1ccc(I)cc1)OCc1cccc(OC(F)(F)F)c1 ZINC001354977820 1067314871 /nfs/dbraw/zinc/31/48/71/1067314871.db2.gz SVDLWENLTMZZCH-UHFFFAOYSA-N 0 0 452.166 4.312 20 0 JIADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC001352238800 1067315610 /nfs/dbraw/zinc/31/56/10/1067315610.db2.gz XHLDFCDBKBTBLS-UHFFFAOYSA-N 0 0 457.567 4.268 20 0 JIADRN C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001354982542 1067315811 /nfs/dbraw/zinc/31/58/11/1067315811.db2.gz NKOJUAIOCMCOKB-KRWDZBQOSA-N 0 0 457.983 4.322 20 0 JIADRN CCC(=O)c1ccc(OC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)cc1 ZINC001352241178 1067316254 /nfs/dbraw/zinc/31/62/54/1067316254.db2.gz UYKYRRWGZJRKQB-JXFKEZNVSA-N 0 0 459.564 4.364 20 0 JIADRN CCOc1cc(CNC(=O)c2cc(OC)cc(Br)c2OC)ccc1OC(F)F ZINC001323218229 1067316339 /nfs/dbraw/zinc/31/63/39/1067316339.db2.gz PXVJHHGWUAYSHM-UHFFFAOYSA-N 0 0 460.271 4.396 20 0 JIADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)ccc1F ZINC001323217154 1067316389 /nfs/dbraw/zinc/31/63/89/1067316389.db2.gz JABWXOZWVQPDAL-UHFFFAOYSA-N 0 0 458.465 4.429 20 0 JIADRN C[C@@H](Sc1nc(CC(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cs1)C(N)=O ZINC001354983107 1067316481 /nfs/dbraw/zinc/31/64/81/1067316481.db2.gz CTABJEBFWYOOCZ-NWDGAFQWSA-N 0 0 457.543 4.423 20 0 JIADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Br)c2OC)c1 ZINC001352243659 1067316526 /nfs/dbraw/zinc/31/65/26/1067316526.db2.gz AJOSMQZHFQDJBG-UHFFFAOYSA-N 0 0 450.713 4.296 20 0 JIADRN O=C(N=c1sccn1Cc1ccccc1Cl)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001323317567 1067318191 /nfs/dbraw/zinc/31/81/91/1067318191.db2.gz PYDKZQKOBNYLDT-UHFFFAOYSA-N 0 0 464.934 4.345 20 0 JIADRN O=C(COc1ccc(Cl)cc1Br)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC001323366708 1067318781 /nfs/dbraw/zinc/31/87/81/1067318781.db2.gz HNLBELCYQGVCOK-UHFFFAOYSA-N 0 0 469.738 4.041 20 0 JIADRN COc1ccccc1CN(Cc1cccs1)C(=O)c1cnn2cc(Br)cnc12 ZINC001352259448 1067319299 /nfs/dbraw/zinc/31/92/99/1067319299.db2.gz XNJDYBIWKVRJNL-UHFFFAOYSA-N 0 0 457.353 4.405 20 0 JIADRN Cc1cccc(C)c1OCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492494845 1067319534 /nfs/dbraw/zinc/31/95/34/1067319534.db2.gz JTHAIUFZQRBQIL-NHCUHLMSSA-N 0 0 485.629 4.271 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)nc2)ccc1Cl ZINC001352259523 1067319634 /nfs/dbraw/zinc/31/96/34/1067319634.db2.gz MBDUONNOXWBBGX-UHFFFAOYSA-N 0 0 451.976 4.339 20 0 JIADRN CC1CCC(N2C[C@H](C(=O)N3CCOc4cc(Br)c(Cl)cc43)CC2=O)CC1 ZINC001354988550 1067319990 /nfs/dbraw/zinc/31/99/90/1067319990.db2.gz BYUWWAUZRBNVHE-ROKHWSDSSA-N 0 0 455.780 4.255 20 0 JIADRN COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC001352267165 1067320657 /nfs/dbraw/zinc/32/06/57/1067320657.db2.gz NQHTXQWEPRXYKJ-LJQANCHMSA-N 0 0 457.368 4.365 20 0 JIADRN Cc1ccc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc1S(=O)(=O)NC(C)(C)C ZINC001200834479 1067320856 /nfs/dbraw/zinc/32/08/56/1067320856.db2.gz IEEHGLPCOLTSRK-QGZVFWFLSA-N 0 0 455.584 4.140 20 0 JIADRN CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccc4c(c3)S(=O)(=O)N(CC)C4=O)ccc21 ZINC001323444077 1067320846 /nfs/dbraw/zinc/32/08/46/1067320846.db2.gz ZYUFKRDBTKPIRX-UHFFFAOYSA-N 0 0 475.570 4.251 20 0 JIADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1I ZINC001354989726 1067320905 /nfs/dbraw/zinc/32/09/05/1067320905.db2.gz BWPIRLVJHRPDFQ-MEDUHNTESA-N 0 0 455.315 4.435 20 0 JIADRN CO[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCSC(C)C)C1 ZINC001300772171 1067321236 /nfs/dbraw/zinc/32/12/36/1067321236.db2.gz KLXBVNAVVKWPOX-LJQANCHMSA-N 0 0 467.680 4.149 20 0 JIADRN CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([S@](C)=O)CCC2)C1 ZINC001300772415 1067321854 /nfs/dbraw/zinc/32/18/54/1067321854.db2.gz JPFBSVPSQKEJFR-MKTHODDLSA-N 0 0 487.453 4.080 20 0 JIADRN NC(=O)c1cc(Br)ccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001323467707 1067321898 /nfs/dbraw/zinc/32/18/98/1067321898.db2.gz GWOOFJSBEFYNEE-UHFFFAOYSA-N 0 0 464.772 4.430 20 0 JIADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 ZINC001352269573 1067322141 /nfs/dbraw/zinc/32/21/41/1067322141.db2.gz KIUBBBJAXQYPGW-CQSZACIVSA-N 0 0 453.465 4.162 20 0 JIADRN CO[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001300772483 1067322431 /nfs/dbraw/zinc/32/24/31/1067322431.db2.gz LEOMRMYEJJJRLZ-NRFANRHFSA-N 0 0 471.646 4.075 20 0 JIADRN C[C@H]1CN(c2ccc(NC(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCO1 ZINC001200834981 1067322447 /nfs/dbraw/zinc/32/24/47/1067322447.db2.gz NAAFWPROSMRNSV-AWEZNQCLSA-N 0 0 451.354 4.321 20 0 JIADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cn1 ZINC001354991357 1067322676 /nfs/dbraw/zinc/32/26/76/1067322676.db2.gz AMIZCIPQZGVLNH-UHFFFAOYSA-N 0 0 450.470 4.005 20 0 JIADRN C[C@@H]1CN(c2ccc(NC(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCO1 ZINC001200834982 1067322905 /nfs/dbraw/zinc/32/29/05/1067322905.db2.gz NAAFWPROSMRNSV-CQSZACIVSA-N 0 0 451.354 4.321 20 0 JIADRN 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COc1ccc(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC001300108421 1067704807 /nfs/dbraw/zinc/70/48/07/1067704807.db2.gz RLSANYPUXKACOQ-ZCVJKFOLSA-N 0 0 486.657 4.319 20 0 JIADRN O=C(COCCc1ccc(Br)cc1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC001356247380 1067706847 /nfs/dbraw/zinc/70/68/47/1067706847.db2.gz OUTNZIXJGBJAJE-UHFFFAOYSA-N 0 0 451.324 4.357 20 0 JIADRN COc1ccc(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001300109216 1067707079 /nfs/dbraw/zinc/70/70/79/1067707079.db2.gz YKKMUVDNXJIYKF-TZIWHRDSSA-N 0 0 495.590 4.134 20 0 JIADRN COc1ccc(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC001300109328 1067707768 /nfs/dbraw/zinc/70/77/68/1067707768.db2.gz ZZBIJQPORAMCMF-CUVVAGTFSA-N 0 0 456.631 4.138 20 0 JIADRN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)cc1OCC ZINC001352763628 1067708324 /nfs/dbraw/zinc/70/83/24/1067708324.db2.gz MFAKGQWVTVPIFR-UHFFFAOYSA-N 0 0 456.358 4.049 20 0 JIADRN COc1ccc(CNC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)c(OC)c1OC 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UNCFSAPFUWHHGJ-UHFFFAOYSA-N 0 0 469.586 4.134 20 0 JIADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccnn1C1CCCC1 ZINC000848954713 1067714078 /nfs/dbraw/zinc/71/40/78/1067714078.db2.gz MUWIPBTUZCBXGJ-UHFFFAOYSA-N 0 0 455.946 4.309 20 0 JIADRN O=C(NCc1ccccc1OC(F)(F)F)c1cc(Br)ncc1Br ZINC001352778208 1067714603 /nfs/dbraw/zinc/71/46/03/1067714603.db2.gz BJELYJPPPRSBHR-UHFFFAOYSA-N 0 0 454.040 4.435 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCc2nc(C)no2)cc1 ZINC001300112756 1067715864 /nfs/dbraw/zinc/71/58/64/1067715864.db2.gz BTKJTQNWANWSHB-GOSISDBHSA-N 0 0 452.603 4.269 20 0 JIADRN CCC1(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)CCCC1 ZINC001356280293 1067715900 /nfs/dbraw/zinc/71/59/00/1067715900.db2.gz JRZQFBHDZPGMHF-UHFFFAOYSA-N 0 0 457.434 4.324 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@H](C)[C@@H]4CCCC[C@@H]43)n2CCC(=O)NC(C)(C)C)cc1 ZINC001300112804 1067716134 /nfs/dbraw/zinc/71/61/34/1067716134.db2.gz COCZFSUKLMXLQM-VJBMBRPKSA-N 0 0 467.658 4.392 20 0 JIADRN COc1cc(C)c(Br)cc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC001352780213 1067716200 /nfs/dbraw/zinc/71/62/00/1067716200.db2.gz WRIPYISGIKCWOJ-UHFFFAOYSA-N 0 0 457.166 4.202 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1C ZINC001352780192 1067716251 /nfs/dbraw/zinc/71/62/51/1067716251.db2.gz KPXTZKCAPANNJY-MRXNPFEDSA-N 0 0 456.530 4.405 20 0 JIADRN COc1ccc(CCc2nnc(N(C)CCC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001300112949 1067716801 /nfs/dbraw/zinc/71/68/01/1067716801.db2.gz BEGZJGCXFXJYAU-UHFFFAOYSA-N 0 0 471.646 4.421 20 0 JIADRN Cc1cc(Br)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1Br ZINC001356292209 1067717561 /nfs/dbraw/zinc/71/75/61/1067717561.db2.gz QIQACGOERFGZPS-SECBINFHSA-N 0 0 454.118 4.492 20 0 JIADRN CC[C@H]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001356293022 1067718087 /nfs/dbraw/zinc/71/80/87/1067718087.db2.gz PKJPLECBDNTKRB-DZGCQCFKSA-N 0 0 452.926 4.018 20 0 JIADRN COc1ccc(CCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300113367 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CCCCCn1nc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c2ccccc2c1=O ZINC000848978873 1067728595 /nfs/dbraw/zinc/72/85/95/1067728595.db2.gz YUOXUOKDSNXSQS-SJORKVTESA-N 0 0 453.514 4.149 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001300117648 1067728937 /nfs/dbraw/zinc/72/89/37/1067728937.db2.gz OAVASCCXZYMSBZ-LJQANCHMSA-N 0 0 476.687 4.158 20 0 JIADRN Cc1cc(C(=O)COC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)c(C)n1Cc1ccco1 ZINC000848978054 1067729213 /nfs/dbraw/zinc/72/92/13/1067729213.db2.gz VVGMJMDSJWHNGL-UHFFFAOYSA-N 0 0 461.518 4.152 20 0 JIADRN CC(C)[C@@H](C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001352800231 1067729613 /nfs/dbraw/zinc/72/96/13/1067729613.db2.gz WKJYENDWHDVUCT-WMLDXEAASA-N 0 0 459.509 4.331 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@]2(C)CCCO2)cc1 ZINC001300118348 1067730784 /nfs/dbraw/zinc/73/07/84/1067730784.db2.gz WCDHPKXNVCTNEQ-PIKZIKFNSA-N 0 0 497.684 4.018 20 0 JIADRN COc1cccc(COc2cccc(NC(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)c2C)c1 ZINC001356343152 1067731133 /nfs/dbraw/zinc/73/11/33/1067731133.db2.gz GKNZBCZGSLVQEC-UHFFFAOYSA-N 0 0 456.502 4.120 20 0 JIADRN COc1cc(OC)cc([C@H](NC(=O)c2cc(Cl)cc3ccc(C)nc32)c2nccn2C)c1 ZINC001356348787 1067732124 /nfs/dbraw/zinc/73/21/24/1067732124.db2.gz IYGYTLJAADYXMH-QFIPXVFZSA-N 0 0 450.926 4.467 20 0 JIADRN CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC001356351758 1067733012 /nfs/dbraw/zinc/73/30/12/1067733012.db2.gz GYBGLSFKVPAKNS-UHFFFAOYSA-N 0 0 452.504 4.318 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCSC(C)C)cc1 ZINC001300119146 1067733183 /nfs/dbraw/zinc/73/31/83/1067733183.db2.gz OCVXIDFCLXRTLU-JOCHJYFZSA-N 0 0 458.672 4.466 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC([C@H]4CC4(F)F)CC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300119478 1067733669 /nfs/dbraw/zinc/73/36/69/1067733669.db2.gz VSQRYYRFGYRTRF-IFXFPORBSA-N 0 0 494.652 4.491 20 0 JIADRN Cc1c(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)nnn1-c1ccccc1Br ZINC001356353755 1067733829 /nfs/dbraw/zinc/73/38/29/1067733829.db2.gz WXMQROBFWPQCDW-NSHDSACASA-N 0 0 451.271 4.431 20 0 JIADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c2ccccc2)cc1 ZINC001356354762 1067734284 /nfs/dbraw/zinc/73/42/84/1067734284.db2.gz KVCMFSWMCQUFBO-OFVILXPXSA-N 0 0 458.558 4.494 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@H](c4ccco4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300119725 1067734482 /nfs/dbraw/zinc/73/44/82/1067734482.db2.gz YAJLJIKHRZYVNB-KGMZSHBCSA-N 0 0 470.639 4.206 20 0 JIADRN CCCOc1ccc(CN(CCC)C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1OC ZINC001356361743 1067735456 /nfs/dbraw/zinc/73/54/56/1067735456.db2.gz HIACQSPHOHUBOI-UHFFFAOYSA-N 0 0 453.514 4.221 20 0 JIADRN C[C@@H](C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)S(=O)(=O)C1CCOCC1 ZINC001356362655 1067735502 /nfs/dbraw/zinc/73/55/02/1067735502.db2.gz CCLKDIIRCQWCKJ-LBPRGKRZSA-N 0 0 459.351 4.102 20 0 JIADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc1 ZINC001356363259 1067736030 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JYNKWTVKLSFMIT-XFSFLGPDSA-N 0 0 458.672 4.246 20 0 JIADRN CCc1cccc(CC)c1Nc1nnc(SCC(=O)N[C@@H](C)C(=O)N2CCCCC2)s1 ZINC000501619233 1067738106 /nfs/dbraw/zinc/73/81/06/1067738106.db2.gz LIMVYRAAGDVAPF-HNNXBMFYSA-N 0 0 461.657 4.016 20 0 JIADRN COc1cnc2ccccc2c1C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F ZINC001356379774 1067740817 /nfs/dbraw/zinc/74/08/17/1067740817.db2.gz XIXFVVWSSNOGQM-INIZCTEOSA-N 0 0 450.514 4.448 20 0 JIADRN CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1C ZINC001356380604 1067741188 /nfs/dbraw/zinc/74/11/88/1067741188.db2.gz IBFYAJDXOIFRQG-UHFFFAOYSA-N 0 0 452.935 4.030 20 0 JIADRN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)(c2ccccc2)CC1 ZINC001356392740 1067743191 /nfs/dbraw/zinc/74/31/91/1067743191.db2.gz RNFJWVUUWKEFCK-OAQYLSRUSA-N 0 0 456.652 4.241 20 0 JIADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1 ZINC001356396912 1067743420 /nfs/dbraw/zinc/74/34/20/1067743420.db2.gz RFDAPNPCIRPOMC-KKSFZXQISA-N 0 0 454.514 4.457 20 0 JIADRN COc1ccc(CCc2nnc(N3CCCC[C@H](C)C3)n2Cc2ccc(NC(C)=O)nc2)cc1 ZINC001300123546 1067743967 /nfs/dbraw/zinc/74/39/67/1067743967.db2.gz UJICSKQNIHHTKY-IBGZPJMESA-N 0 0 462.598 4.100 20 0 JIADRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1C(=O)NCCc1ccccc1 ZINC001356401503 1067744658 /nfs/dbraw/zinc/74/46/58/1067744658.db2.gz YNSWTKXCAQBCFX-HXUWFJFHSA-N 0 0 459.521 4.098 20 0 JIADRN O=C(CCc1cccc(F)c1Br)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC001352822733 1067744664 /nfs/dbraw/zinc/74/46/64/1067744664.db2.gz GCMKQQLYBVSTTN-MRXNPFEDSA-N 0 0 455.324 4.200 20 0 JIADRN O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001352822744 1067744974 /nfs/dbraw/zinc/74/49/74/1067744974.db2.gz GFMQGCGGOACXEH-HNNXBMFYSA-N 0 0 459.287 4.220 20 0 JIADRN Cc1cc(NC(=O)c2cc(Br)cnc2F)n(-c2cccc(Br)c2)n1 ZINC001352824624 1067745562 /nfs/dbraw/zinc/74/55/62/1067745562.db2.gz PLECVZALACKUQX-UHFFFAOYSA-N 0 0 454.097 4.492 20 0 JIADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Br)ncc2Cl)c1C ZINC001352823884 1067745580 /nfs/dbraw/zinc/74/55/80/1067745580.db2.gz NTRBIFIMIIKWPP-HNNXBMFYSA-N 0 0 454.777 4.268 20 0 JIADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2csc(CCC(F)(F)F)n2)c(C)c1 ZINC001352826785 1067746430 /nfs/dbraw/zinc/74/64/30/1067746430.db2.gz USXIFJYXRXWRCG-INIZCTEOSA-N 0 0 457.543 4.338 20 0 JIADRN Cc1cc(C)n(-c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3cccc(C)c3C)cc2F)n1 ZINC001352827070 1067747054 /nfs/dbraw/zinc/74/70/54/1067747054.db2.gz VVENJXFTUABJJX-JOCHJYFZSA-N 0 0 452.555 4.399 20 0 JIADRN O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001356416120 1067747149 /nfs/dbraw/zinc/74/71/49/1067747149.db2.gz WXPVLYJXTRUJPO-UHFFFAOYSA-N 0 0 450.560 4.335 20 0 JIADRN COC[C@H]1CN(C(=S)Nc2ccc(C)cc2Br)Cc2cn(CC3CCOCC3)nc21 ZINC001200143905 1067747608 /nfs/dbraw/zinc/74/76/08/1067747608.db2.gz FHQIGFWOXHYKQM-GOSISDBHSA-N 0 0 493.471 4.323 20 0 JIADRN COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(=S)Nc1ccc(C)cc1Br ZINC001200143959 1067747625 /nfs/dbraw/zinc/74/76/25/1067747625.db2.gz GHUVYIGEVFFVEK-FQEVSTJZSA-N 0 0 493.471 4.323 20 0 JIADRN COc1ccc(CCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCSC2)cc1 ZINC001300125118 1067749693 /nfs/dbraw/zinc/74/96/93/1067749693.db2.gz BMMCPOBECIBIBX-FQEVSTJZSA-N 0 0 497.631 4.290 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)SC)cc1 ZINC001300125135 1067749825 /nfs/dbraw/zinc/74/98/25/1067749825.db2.gz CAFHFRJEJIHETF-UYAOXDASSA-N 0 0 489.686 4.317 20 0 JIADRN Cc1ccc(NC(=S)N2C[C@@H]3C[C@H](CC(=O)NCc4cccs4)O[C@@H]3C2)c(Br)c1 ZINC001200144988 1067750030 /nfs/dbraw/zinc/75/00/30/1067750030.db2.gz NNRKCVSIQDPMPT-QMTMVMCOSA-N 0 0 494.480 4.312 20 0 JIADRN COc1ccc(CCc2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CC(C)(C)C(C)C)cc1 ZINC001300125533 1067750565 /nfs/dbraw/zinc/75/05/65/1067750565.db2.gz GXJZZSKXRAMLLF-DHIUTWEWSA-N 0 0 456.631 4.138 20 0 JIADRN Cc1c(Cl)cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC001356432268 1067750645 /nfs/dbraw/zinc/75/06/45/1067750645.db2.gz JAVLKGSEUKGVKA-BETUJISGSA-N 0 0 457.379 4.352 20 0 JIADRN Cc1ccc(NC(=S)N2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c(Br)c1 ZINC001200145832 1067751066 /nfs/dbraw/zinc/75/10/66/1067751066.db2.gz PSQLEQSQNZYBRE-OAHLLOKOSA-N 0 0 451.434 4.460 20 0 JIADRN COc1ccc(CCc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCCC(C)(C)C)cc1 ZINC001300125960 1067751873 /nfs/dbraw/zinc/75/18/73/1067751873.db2.gz NWSAVDXHXMMJQU-PKTZIBPZSA-N 0 0 456.631 4.282 20 0 JIADRN CCNC(=O)c1cc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)nc2ccccc21 ZINC001356436881 1067751730 /nfs/dbraw/zinc/75/17/30/1067751730.db2.gz FFINBKJKDRGFPN-HXUWFJFHSA-N 0 0 454.571 4.349 20 0 JIADRN COc1ccc(CCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCC(C)(F)F)cc1 ZINC001300126160 1067752739 /nfs/dbraw/zinc/75/27/39/1067752739.db2.gz BYYHDGZKSGZTIM-INIZCTEOSA-N 0 0 475.506 4.190 20 0 JIADRN C[C@H]1[C@H](C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCN1C(=O)OC(C)(C)C ZINC001356444163 1067753682 /nfs/dbraw/zinc/75/36/82/1067753682.db2.gz SOYHCNSUGBHKTC-WMLDXEAASA-N 0 0 452.477 4.153 20 0 JIADRN Cc1ccc(NC(=S)N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)c(Br)c1 ZINC001200146586 1067754541 /nfs/dbraw/zinc/75/45/41/1067754541.db2.gz BVGDCPORKRZTQK-NRFANRHFSA-N 0 0 478.412 4.055 20 0 JIADRN CCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1OC ZINC001356453030 1067755700 /nfs/dbraw/zinc/75/57/00/1067755700.db2.gz SWOXFGNXVUSDJK-UHFFFAOYSA-N 0 0 453.560 4.388 20 0 JIADRN COc1ccc(CCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H]2CCCSC2)cc1 ZINC001300126887 1067755784 /nfs/dbraw/zinc/75/57/84/1067755784.db2.gz SFAGWCDGGTXLLE-AZUAARDMSA-N 0 0 497.631 4.288 20 0 JIADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC001352836347 1067755813 /nfs/dbraw/zinc/75/58/13/1067755813.db2.gz HOSJUNKKLUIHDQ-AOMIVXANSA-N 0 0 457.640 4.090 20 0 JIADRN COc1cccc(C2=NO[C@H](C(=O)Nc3cc(C)nn3-c3cccc(Br)c3)C2)c1 ZINC001356460028 1067756854 /nfs/dbraw/zinc/75/68/54/1067756854.db2.gz OHCDEDRDWBQLLK-IBGZPJMESA-N 0 0 455.312 4.084 20 0 JIADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)cc1 ZINC001352836942 1067756995 /nfs/dbraw/zinc/75/69/95/1067756995.db2.gz LGPVISAJEQNWLU-XIKOKIGWSA-N 0 0 455.363 4.310 20 0 JIADRN CNC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC001356461879 1067757317 /nfs/dbraw/zinc/75/73/17/1067757317.db2.gz UEGHIHKEZXAIPL-UHFFFAOYSA-N 0 0 452.536 4.108 20 0 JIADRN Cc1ccc(NC(=S)N2CCC3(CC2)CN(Cc2ccoc2)CCO3)c(Br)c1 ZINC001200147018 1067757954 /nfs/dbraw/zinc/75/79/54/1067757954.db2.gz ZUHIUXGKMZFRIU-UHFFFAOYSA-N 0 0 464.429 4.414 20 0 JIADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC001356467312 1067758248 /nfs/dbraw/zinc/75/82/48/1067758248.db2.gz BSKFRQOLOIJYSM-KBMIEXCESA-N 0 0 465.550 4.071 20 0 JIADRN COC(=O)c1cc(F)c(C)c(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC001356471044 1067759123 /nfs/dbraw/zinc/75/91/23/1067759123.db2.gz AKLWKCHSJPZGKN-QGZVFWFLSA-N 0 0 454.281 4.438 20 0 JIADRN Cc1nc(CNC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)oc1C ZINC001352841962 1067760407 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ZINC001358281841 1068058896 /nfs/dbraw/zinc/05/88/96/1068058896.db2.gz IYQRMGVWPJPDLV-HXUWFJFHSA-N 0 0 451.395 4.178 20 0 JIADRN COc1ccc2c(c1)OC[C@@H](NC(=O)COc1ccc(C(=O)c3ccc(Cl)cc3)cc1)C2 ZINC001358282633 1068059270 /nfs/dbraw/zinc/05/92/70/1068059270.db2.gz IOKMHOCHGBRJDB-FQEVSTJZSA-N 0 0 451.906 4.078 20 0 JIADRN CC(C)(C(=O)O[C@H]1CCOc2c(F)cccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC001358290165 1068061053 /nfs/dbraw/zinc/06/10/53/1068061053.db2.gz YXKZAUCQULXNBJ-INIZCTEOSA-N 0 0 457.317 4.208 20 0 JIADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C[C@H](C)Cc2cccc(OC)c2)c1 ZINC001353363688 1068061224 /nfs/dbraw/zinc/06/12/24/1068061224.db2.gz AQEASQQVVVTIBJ-JPYJTQIMSA-N 0 0 452.551 4.070 20 0 JIADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C[C@@H](C)Cc2cccc(OC)c2)c1 ZINC001353363689 1068061461 /nfs/dbraw/zinc/06/14/61/1068061461.db2.gz AQEASQQVVVTIBJ-MBSDFSHPSA-N 0 0 452.551 4.070 20 0 JIADRN Cc1ccc(I)c(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c1 ZINC001353363715 1068062018 /nfs/dbraw/zinc/06/20/18/1068062018.db2.gz BLDFIVYLVHSBFO-UHFFFAOYSA-N 0 0 457.333 4.175 20 0 JIADRN O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc(-c2cccc(Br)c2)no1 ZINC001358293667 1068062251 /nfs/dbraw/zinc/06/22/51/1068062251.db2.gz LVXKVMNMPRKHQP-UHFFFAOYSA-N 0 0 456.340 4.231 20 0 JIADRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001358299055 1068062878 /nfs/dbraw/zinc/06/28/78/1068062878.db2.gz JAPSMSJAPDGJJR-UHFFFAOYSA-N 0 0 451.013 4.472 20 0 JIADRN Cn1c(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)nc2ccccc21 ZINC001358303976 1068063434 /nfs/dbraw/zinc/06/34/34/1068063434.db2.gz FTWFNHZFWSLXOY-MOPGFXCFSA-N 0 0 468.985 4.494 20 0 JIADRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001358304036 1068063524 /nfs/dbraw/zinc/06/35/24/1068063524.db2.gz HCOUIRUOEWYDDG-JOCHJYFZSA-N 0 0 450.560 4.224 20 0 JIADRN O=C(O[C@H]1CCc2cc(Cl)ccc21)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001358315680 1068065111 /nfs/dbraw/zinc/06/51/11/1068065111.db2.gz BMWPLWGUHMEYJE-FQEVSTJZSA-N 0 0 455.910 4.250 20 0 JIADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1 ZINC001358314518 1068065266 /nfs/dbraw/zinc/06/52/66/1068065266.db2.gz OBAXHLWDAVIXRI-UHFFFAOYSA-N 0 0 452.555 4.012 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCc2nccc(C(F)(F)F)n2)cc1 ZINC001300278589 1068065642 /nfs/dbraw/zinc/06/56/42/1068065642.db2.gz RWVAWOYUSRBGMU-IAGOWNOFSA-N 0 0 490.530 4.400 20 0 JIADRN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001358319074 1068065926 /nfs/dbraw/zinc/06/59/26/1068065926.db2.gz JUMCUKWXLLHOJQ-UXHICEINSA-N 0 0 479.802 4.440 20 0 JIADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)Nc1cccc(CN2CCCCC2=O)c1 ZINC001358323730 1068066438 /nfs/dbraw/zinc/06/64/38/1068066438.db2.gz DCZGJJQAQBKTKA-SFHVURJKSA-N 0 0 456.340 4.026 20 0 JIADRN Cn1cc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)c(I)n1 ZINC001358326601 1068066716 /nfs/dbraw/zinc/06/67/16/1068066716.db2.gz PXVQSIKDDGSNSM-UHFFFAOYSA-N 0 0 451.352 4.174 20 0 JIADRN Cc1ccc(C(=O)NC2CCN(C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)s1 ZINC001358325142 1068066767 /nfs/dbraw/zinc/06/67/67/1068066767.db2.gz OGAOVUKICCLDKD-UHFFFAOYSA-N 0 0 457.596 4.367 20 0 JIADRN O=C(Cc1coc2c1ccc(F)c2F)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC001358326823 1068066881 /nfs/dbraw/zinc/06/68/81/1068066881.db2.gz UOQQWLFDPDYKLQ-UHFFFAOYSA-N 0 0 450.445 4.287 20 0 JIADRN CCCCc1ccc(N2C[C@@H](C(=O)N(CC(=O)OCC)Cc3ccc(F)cc3)CC2=O)cc1 ZINC001358326216 1068066915 /nfs/dbraw/zinc/06/69/15/1068066915.db2.gz UKERKAMXOBCQJJ-NRFANRHFSA-N 0 0 454.542 4.113 20 0 JIADRN C[C@H]1Cc2cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC001353372914 1068066823 /nfs/dbraw/zinc/06/68/23/1068066823.db2.gz IOQXVIVHAGWWRP-XDHUDOTRSA-N 0 0 452.551 4.398 20 0 JIADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc1 ZINC001358329346 1068067751 /nfs/dbraw/zinc/06/77/51/1068067751.db2.gz RLDLGSVCHGASNI-INIZCTEOSA-N 0 0 452.414 4.313 20 0 JIADRN COc1ccc(C2CCN(C(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)CC2)nc1 ZINC001300279338 1068067936 /nfs/dbraw/zinc/06/79/36/1068067936.db2.gz RMXYTRHRZPCOTI-QGZVFWFLSA-N 0 0 454.571 4.223 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001300279524 1068068086 /nfs/dbraw/zinc/06/80/86/1068068086.db2.gz CKQLDEVQSNVGPW-UHFFFAOYSA-N 0 0 495.571 4.405 20 0 JIADRN COCCCNC(=O)c1c(NC(=O)C(F)(F)c2ccc(OC)cc2)sc2c1CCCC2 ZINC001353374548 1068068355 /nfs/dbraw/zinc/06/83/55/1068068355.db2.gz AMNLXUGRVSCSRS-UHFFFAOYSA-N 0 0 452.523 4.132 20 0 JIADRN NC(=O)c1c(NC(=O)C2CCN(CC(F)(F)F)CC2)sc2c1-c1ccccc1CCC2 ZINC001358338255 1068068927 /nfs/dbraw/zinc/06/89/27/1068068927.db2.gz MAGOZWBFVSFJCH-UHFFFAOYSA-N 0 0 451.514 4.216 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)cc1 ZINC001300280034 1068069331 /nfs/dbraw/zinc/06/93/31/1068069331.db2.gz FBRSTFDOWMCLNM-IBGZPJMESA-N 0 0 499.637 4.421 20 0 JIADRN COCCN(CCOc1ccc(F)cc1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC001353377101 1068070331 /nfs/dbraw/zinc/07/03/31/1068070331.db2.gz QZOXIIAVSMQCSK-HXUWFJFHSA-N 0 0 452.567 4.105 20 0 JIADRN Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nccc(C(F)F)n1 ZINC001492564765 1068070487 /nfs/dbraw/zinc/07/04/87/1068070487.db2.gz RLTUGSYLIARGRH-MRXNPFEDSA-N 0 0 485.539 4.133 20 0 JIADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001353376862 1068070502 /nfs/dbraw/zinc/07/05/02/1068070502.db2.gz SSARZTVDOSYEIH-UHFFFAOYSA-N 0 0 453.392 4.062 20 0 JIADRN COC(=O)c1occc1CN(C(=O)[C@@H](C)Cc1cnc2ccccc2n1)[C@@H](C)c1ccccn1 ZINC001358347957 1068071438 /nfs/dbraw/zinc/07/14/38/1068071438.db2.gz BMMKUAJGPJPYLX-ROUUACIJSA-N 0 0 458.518 4.373 20 0 JIADRN CC(C)CN1C[C@@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1=O ZINC001358351517 1068072932 /nfs/dbraw/zinc/07/29/32/1068072932.db2.gz OCLIPVLOFYTHLW-VXKWHMMOSA-N 0 0 453.583 4.026 20 0 JIADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)F)cc3F)CC2)cc1 ZINC001353382207 1068073027 /nfs/dbraw/zinc/07/30/27/1068073027.db2.gz KJGCZINIZDBZJV-OAHLLOKOSA-N 0 0 454.514 4.424 20 0 JIADRN CCOC(=O)CN(C(=O)c1ccc(I)c(F)c1)[C@@H](C)c1ccccc1 ZINC001358353263 1068073169 /nfs/dbraw/zinc/07/31/69/1068073169.db2.gz XTQJRSDFTPQCKV-ZDUSSCGKSA-N 0 0 455.267 4.197 20 0 JIADRN Cn1c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2nc1C(C)(C)C ZINC001358360309 1068074238 /nfs/dbraw/zinc/07/42/38/1068074238.db2.gz LCHQNEMZDHKHDC-UHFFFAOYSA-N 0 0 454.596 4.298 20 0 JIADRN Cc1cc(Br)cc(C(=O)NCCCNC(=O)c2ccc(Br)cc2)c1 ZINC001358362417 1068074947 /nfs/dbraw/zinc/07/49/47/1068074947.db2.gz JVJOTAILFAXIAF-UHFFFAOYSA-N 0 0 454.162 4.070 20 0 JIADRN COC[C@@]1(C(=O)NCC2(c3c(F)cccc3F)CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001358361746 1068074993 /nfs/dbraw/zinc/07/49/93/1068074993.db2.gz GDCKDQJCESGKDH-XMMPIXPASA-N 0 0 452.542 4.166 20 0 JIADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cc(Br)c(C)cc2OC)C1 ZINC001358371262 1068076489 /nfs/dbraw/zinc/07/64/89/1068076489.db2.gz PLYABYKSIYIAHQ-CQSZACIVSA-N 0 0 453.764 4.437 20 0 JIADRN CN(C(=O)CN(C(=O)c1ccccc1)c1ccccc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001358372559 1068076758 /nfs/dbraw/zinc/07/67/58/1068076758.db2.gz LLZOBWFICOUEDV-SANMLTNESA-N 0 0 456.521 4.454 20 0 JIADRN CN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001358373008 1068077075 /nfs/dbraw/zinc/07/70/75/1068077075.db2.gz QLIUNWGIAJAOTJ-FQEVSTJZSA-N 0 0 458.419 4.020 20 0 JIADRN O=C(Cn1ccc2cc(NC(=O)c3ccccc3CCC(F)(F)F)ccc21)N1CCOCC1 ZINC001358373323 1068077310 /nfs/dbraw/zinc/07/73/10/1068077310.db2.gz UMXGOZPEHFFNMP-UHFFFAOYSA-N 0 0 459.468 4.247 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@]1(C)CCCO1 ZINC001492565465 1068079893 /nfs/dbraw/zinc/07/98/93/1068079893.db2.gz FKAPYMYNYGDDDH-RXFWQSSRSA-N 0 0 453.631 4.201 20 0 JIADRN COc1cc(COCC(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)ccn1 ZINC001358386447 1068080173 /nfs/dbraw/zinc/08/01/73/1068080173.db2.gz UKLZFEDXFWHAGA-UHFFFAOYSA-N 0 0 454.836 4.318 20 0 JIADRN Cc1c(CC(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)nnn1-c1ccc(C)cc1 ZINC001358384639 1068080185 /nfs/dbraw/zinc/08/01/85/1068080185.db2.gz ZFVBZNNEQWIEOQ-UHFFFAOYSA-N 0 0 457.321 4.058 20 0 JIADRN COc1cccc(C(=O)NCCNC(=O)C2(c3ccc(Br)cc3)CCCCC2)c1 ZINC001358390914 1068080298 /nfs/dbraw/zinc/08/02/98/1068080298.db2.gz QVUDLSYVZLXGRJ-UHFFFAOYSA-N 0 0 459.384 4.206 20 0 JIADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001358390619 1068080546 /nfs/dbraw/zinc/08/05/46/1068080546.db2.gz KOVAPAZNZXCFJL-GOSISDBHSA-N 0 0 452.617 4.011 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(Cn4cncn4)CC3)n2CCCC(C)(C)C)cc1 ZINC001300284316 1068080714 /nfs/dbraw/zinc/08/07/14/1068080714.db2.gz VROVYNOKJMUSFU-UHFFFAOYSA-N 0 0 467.618 4.200 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCSC)cc1 ZINC001300284308 1068080729 /nfs/dbraw/zinc/08/07/29/1068080729.db2.gz VISILYKNVRPYIW-GOSISDBHSA-N 0 0 491.658 4.064 20 0 JIADRN COc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001300284539 1068081133 /nfs/dbraw/zinc/08/11/33/1068081133.db2.gz PZVNOLDJQOQERR-UHFFFAOYSA-N 0 0 450.587 4.001 20 0 JIADRN COCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Cl ZINC001358395366 1068081324 /nfs/dbraw/zinc/08/13/24/1068081324.db2.gz ZPHFVXVCQMVSBV-VBKZILBWSA-N 0 0 455.313 4.316 20 0 JIADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001358398842 1068082016 /nfs/dbraw/zinc/08/20/16/1068082016.db2.gz JYOCQEKHYMTTHF-SJKOYZFVSA-N 0 0 453.789 4.283 20 0 JIADRN CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001358398164 1068082196 /nfs/dbraw/zinc/08/21/96/1068082196.db2.gz MUPAMWQENDWHMA-FQEVSTJZSA-N 0 0 451.007 4.043 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCN2CCCCCC2=O)cc1 ZINC001300285032 1068082481 /nfs/dbraw/zinc/08/24/81/1068082481.db2.gz RSPFDHSJOKZZPV-LJQANCHMSA-N 0 0 491.583 4.140 20 0 JIADRN CCCCN(CCOC)C(=O)c1cc(I)cc(Br)c1C ZINC001358401312 1068082962 /nfs/dbraw/zinc/08/29/62/1068082962.db2.gz GKMMUAZXTIJNSS-UHFFFAOYSA-N 0 0 454.146 4.251 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001300285301 1068083308 /nfs/dbraw/zinc/08/33/08/1068083308.db2.gz TZFVATDASFPOJW-PXNSSMCTSA-N 0 0 450.530 4.162 20 0 JIADRN COc1ccc(Br)cc1NC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001358402820 1068083391 /nfs/dbraw/zinc/08/33/91/1068083391.db2.gz CDHZWUMKFJVRFH-VGSWGCGISA-N 0 0 459.340 4.445 20 0 JIADRN COC(=O)[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1cccs1 ZINC001358405983 1068083797 /nfs/dbraw/zinc/08/37/97/1068083797.db2.gz TXQUJMHNWNHYGH-GOSISDBHSA-N 0 0 450.347 4.373 20 0 JIADRN COc1cccc(N2CC[C@H](NC(=O)c3ccc(Br)c(OC(F)(F)F)c3)C2)c1 ZINC001358407126 1068084187 /nfs/dbraw/zinc/08/41/87/1068084187.db2.gz CYXNNOUJQJDXDY-ZDUSSCGKSA-N 0 0 459.262 4.365 20 0 JIADRN CC(C)(C)OC(=O)COc1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC001358406449 1068084239 /nfs/dbraw/zinc/08/42/39/1068084239.db2.gz ZJFXVTLKJZPLPX-UHFFFAOYSA-N 0 0 450.491 4.182 20 0 JIADRN 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C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358423343 1068088008 /nfs/dbraw/zinc/08/80/08/1068088008.db2.gz XYDCUVUNFINJHH-CQSZACIVSA-N 0 0 456.905 4.491 20 0 JIADRN Cc1ccc(NC(=S)Nc2nn(C)c3ncc(I)cc23)c(Cl)c1 ZINC001200328184 1068088849 /nfs/dbraw/zinc/08/88/49/1068088849.db2.gz SCUGHLUKLCWGTE-UHFFFAOYSA-N 0 0 457.728 4.344 20 0 JIADRN CCCCOc1ccc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC001358427176 1068088911 /nfs/dbraw/zinc/08/89/11/1068088911.db2.gz BPKREJVJZUKKBC-UHFFFAOYSA-N 0 0 453.764 4.441 20 0 JIADRN CC[C@H](OC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)c1cccc(Br)c1 ZINC001358426480 1068088949 /nfs/dbraw/zinc/08/89/49/1068088949.db2.gz UDLZWWXDMHNXGY-KRWDZBQOSA-N 0 0 450.329 4.261 20 0 JIADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC001358428064 1068089426 /nfs/dbraw/zinc/08/94/26/1068089426.db2.gz IHAXXVWFJSTDJO-HSZRJFAPSA-N 0 0 451.567 4.387 20 0 JIADRN COc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC2(C)CC2)cc1 ZINC001300289330 1068090988 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IFUWEXAYXVRPAI-HXUWFJFHSA-N 0 0 499.656 4.140 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1C[C@](C)(O)c1cccs1 ZINC001300536701 1068957690 /nfs/dbraw/zinc/95/76/90/1068957690.db2.gz RWDGRLOZNGDCPV-DEOSSOPVSA-N 0 0 467.595 4.088 20 0 JIADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 ZINC000849200333 1068958333 /nfs/dbraw/zinc/95/83/33/1068958333.db2.gz FDOFFMOYMRDNJK-UHFFFAOYSA-N 0 0 463.929 4.069 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2ccc(C)o2)n1CC(F)(F)Br ZINC001300536775 1068958408 /nfs/dbraw/zinc/95/84/08/1068958408.db2.gz UGDNUORRPWSJJR-UHFFFAOYSA-N 0 0 455.303 4.403 20 0 JIADRN CN(Cc1ccccc1Br)C(=O)COC(=O)COc1c(Cl)cccc1Cl ZINC000849201842 1068958747 /nfs/dbraw/zinc/95/87/47/1068958747.db2.gz YZBWXAZSLOEJTR-UHFFFAOYSA-N 0 0 461.139 4.337 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2cccs2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001300536826 1068958849 /nfs/dbraw/zinc/95/88/49/1068958849.db2.gz VXAOMHMGZSHMND-QGZVFWFLSA-N 0 0 471.627 4.489 20 0 JIADRN 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Cc1ccccc1-c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC(F)(F)Br ZINC001492568920 1068962741 /nfs/dbraw/zinc/96/27/41/1068962741.db2.gz FWGUEJQNOLQLIH-UHFFFAOYSA-N 0 0 499.429 4.245 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[C@@H]1CCCCO1 ZINC001492568973 1068963405 /nfs/dbraw/zinc/96/34/05/1068963405.db2.gz HUMXGLZQIKICGL-OALUTQOASA-N 0 0 451.537 4.286 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCCOCC(C)C ZINC001492569076 1068964668 /nfs/dbraw/zinc/96/46/68/1068964668.db2.gz LDSLYVOQKWFHLM-UHFFFAOYSA-N 0 0 452.578 4.177 20 0 JIADRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)ccc21 ZINC000849208355 1068966991 /nfs/dbraw/zinc/96/69/91/1068966991.db2.gz MALSLCOWRCNERR-QZTJIDSGSA-N 0 0 473.529 4.326 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 ZINC001300539668 1068967221 /nfs/dbraw/zinc/96/72/21/1068967221.db2.gz KDDLKZPEVKLYJC-SFHVURJKSA-N 0 0 453.587 4.074 20 0 JIADRN 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/nfs/dbraw/zinc/46/23/74/721462374.db2.gz JVWAFEHUTLXTKF-GOSISDBHSA-N 0 0 475.829 4.482 20 0 JIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164891259 721470517 /nfs/dbraw/zinc/47/05/17/721470517.db2.gz MGLSUJVLNBUIJG-AWEZNQCLSA-N 0 0 470.307 4.258 20 0 JIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164891195 721474357 /nfs/dbraw/zinc/47/43/57/721474357.db2.gz CBFJOUCTBHKHMO-HXUWFJFHSA-N 0 0 463.941 4.446 20 0 JIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164788793 721474972 /nfs/dbraw/zinc/47/49/72/721474972.db2.gz LADWHRJHMBULAS-UHFFFAOYSA-N 0 0 455.900 4.442 20 0 JIADRN CSc1ccc(C(F)(F)N2CCCn3nnc(CNc4cccnc4)c3C2)nc1Cl ZINC001164791828 721474995 /nfs/dbraw/zinc/47/49/95/721474995.db2.gz ZVOWWAWGZWUGAJ-UHFFFAOYSA-N 0 0 451.934 4.011 20 0 JIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(-c2cccnc2)n1 ZINC001164891068 721475756 /nfs/dbraw/zinc/47/57/56/721475756.db2.gz APBHQINHTCJVIO-QHCPKHFHSA-N 0 0 484.938 4.294 20 0 JIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164892583 721475802 /nfs/dbraw/zinc/47/58/02/721475802.db2.gz GNRMKUWCSVCAOK-QFIPXVFZSA-N 0 0 473.911 4.492 20 0 JIADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]12)N1CCCO1 ZINC001164790953 721480674 /nfs/dbraw/zinc/48/06/74/721480674.db2.gz HVIGRFZPXKLDTL-ALKREAHSSA-N 0 0 486.346 4.482 20 0 JIADRN O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21)N1CCCO1 ZINC001164790958 721480769 /nfs/dbraw/zinc/48/07/69/721480769.db2.gz HVIGRFZPXKLDTL-SIXWZSSISA-N 0 0 486.346 4.482 20 0 JIADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]12)N1CCCO1 ZINC001164790887 721484134 /nfs/dbraw/zinc/48/41/34/721484134.db2.gz HHBXNEZTJUGSEL-NJAFHUGGSA-N 0 0 483.968 4.404 20 0 JIADRN O=C(C[C@]12COC[C@@H]1CN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2)NCC1CC1 ZINC001164893268 721484220 /nfs/dbraw/zinc/48/42/20/721484220.db2.gz CECMMROSNKKSHA-RDPSFJRHSA-N 0 0 491.966 4.228 20 0 JIADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164894730 721486883 /nfs/dbraw/zinc/48/68/83/721486883.db2.gz HROBYPCEJJDCFW-ZDUSSCGKSA-N 0 0 464.307 4.211 20 0 JIADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)c(Cl)nn2)cc1 ZINC001164897866 721487966 /nfs/dbraw/zinc/48/79/66/721487966.db2.gz UVIIYIZMRYPEBG-QGZVFWFLSA-N 0 0 469.927 4.380 20 0 JIADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164792812 721488209 /nfs/dbraw/zinc/48/82/09/721488209.db2.gz MJWQWAZYLYYBED-VGSWGCGISA-N 0 0 476.886 4.408 20 0 JIADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164900451 721490569 /nfs/dbraw/zinc/49/05/69/721490569.db2.gz PSNILFSBJAFQBC-LBPRGKRZSA-N 0 0 467.866 4.343 20 0 JIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901474 721493432 /nfs/dbraw/zinc/49/34/32/721493432.db2.gz VJDRASOEWLWYPL-AEGPPILISA-N 0 0 486.379 4.155 20 0 JIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164900841 721494406 /nfs/dbraw/zinc/49/44/06/721494406.db2.gz RVLWQQVOFXWEQT-GZBFAFLISA-N 0 0 486.379 4.155 20 0 JIADRN C(O[C@@H]1CCC[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@@H]21)C1CC1 ZINC001164899808 721498800 /nfs/dbraw/zinc/49/88/00/721498800.db2.gz LHZOQEVTTABGTR-ILWGZMRPSA-N 0 0 482.694 4.434 20 0 JIADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164896713 721503797 /nfs/dbraw/zinc/50/37/97/721503797.db2.gz JMZFLADDXLKNEU-INIZCTEOSA-N 0 0 461.875 4.005 20 0 JIADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164895238 721505137 /nfs/dbraw/zinc/50/51/37/721505137.db2.gz BCSQSDLGQZVUFF-FQEVSTJZSA-N 0 0 469.923 4.380 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803715 721536586 /nfs/dbraw/zinc/53/65/86/721536586.db2.gz IWXFSEQVPAVQRK-NJDAHSKKSA-N 0 0 459.928 4.091 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@H]12 ZINC001164803713 721536876 /nfs/dbraw/zinc/53/68/76/721536876.db2.gz IWXFSEQVPAVQRK-HBMCJLEFSA-N 0 0 459.928 4.091 20 0 JIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC3(C[C@H]3C(=O)N(C)C)CC2)cc1 ZINC001164901584 721570181 /nfs/dbraw/zinc/57/01/81/721570181.db2.gz GGWRXZJOOTULFA-SFHVURJKSA-N 0 0 477.939 4.428 20 0 JIADRN CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805441 721576160 /nfs/dbraw/zinc/57/61/60/721576160.db2.gz OAAKJVWWCDZZNK-AWRGLXIESA-N 0 0 480.996 4.328 20 0 JIADRN COCCN1C[C@H]2CN(C(F)(F)c3cc(-c4ccc(C(C)C)cc4)nnc3Cl)C[C@H]2C1=O ZINC001164901263 721577053 /nfs/dbraw/zinc/57/70/53/721577053.db2.gz CXMAGPQUZMTIBA-ZWKOTPCHSA-N 0 0 464.944 4.006 20 0 JIADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164900881 721577681 /nfs/dbraw/zinc/57/76/81/721577681.db2.gz AVVOIQVVJNSSNS-HNNXBMFYSA-N 0 0 476.355 4.092 20 0 JIADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(F)c(Cl)n1 ZINC001164901095 721577713 /nfs/dbraw/zinc/57/77/13/721577713.db2.gz BSVUOZUZGBZLKN-QGZVFWFLSA-N 0 0 458.912 4.182 20 0 JIADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806261 721577797 /nfs/dbraw/zinc/57/77/97/721577797.db2.gz MQVRPUHEKHZEKL-HWBMXIPRSA-N 0 0 492.693 4.167 20 0 JIADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)c(Cl)nn2)cc1 ZINC001164906314 721581138 /nfs/dbraw/zinc/58/11/38/721581138.db2.gz ZZGLSXXGGMELLL-QFIPXVFZSA-N 0 0 490.917 4.147 20 0 JIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902888 721581289 /nfs/dbraw/zinc/58/12/89/721581289.db2.gz JWLMXCWLGCPURZ-JOCHJYFZSA-N 0 0 463.960 4.215 20 0 JIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@H]2CCCO[C@H]12 ZINC001164810163 721587085 /nfs/dbraw/zinc/58/70/85/721587085.db2.gz UXBKPUWGUZSHNG-BDTNDASRSA-N 0 0 458.591 4.017 20 0 JIADRN COc1cccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810125 721590183 /nfs/dbraw/zinc/59/01/83/721590183.db2.gz ULMXYYMDCDEFBU-PMVMPFDFSA-N 0 0 481.984 4.194 20 0 JIADRN FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164798791 721600106 /nfs/dbraw/zinc/60/01/06/721600106.db2.gz GBMROJJWTKFELT-UHFFFAOYSA-N 0 0 491.926 4.277 20 0 JIADRN Cc1cccc(CN2CCO[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)CC[C@H]3C2=O)n1 ZINC001164802639 721602803 /nfs/dbraw/zinc/60/28/03/721602803.db2.gz SCEACAVXPUNWMQ-KNQAVFIVSA-N 0 0 486.950 4.390 20 0 JIADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)nc1Cl ZINC001164799947 721603624 /nfs/dbraw/zinc/60/36/24/721603624.db2.gz LBTHCYMMKSJCIZ-MRXNPFEDSA-N 0 0 481.927 4.164 20 0 JIADRN FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164802730 721604052 /nfs/dbraw/zinc/60/40/52/721604052.db2.gz TZWYDEFVNBLMGG-OPAMFIHVSA-N 0 0 486.922 4.032 20 0 JIADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164798483 721605807 /nfs/dbraw/zinc/60/58/07/721605807.db2.gz GWMZJIIUFYNRQS-IBGZPJMESA-N 0 0 486.306 4.005 20 0 JIADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2cccc3c(Cl)nccc32)C1 ZINC001164805467 721606571 /nfs/dbraw/zinc/60/65/71/721606571.db2.gz OHZRDFWYTHCRSQ-JOCHJYFZSA-N 0 0 459.928 4.276 20 0 JIADRN C[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007942 721691376 /nfs/dbraw/zinc/69/13/76/721691376.db2.gz HLGOJQLJFQXOEP-JPEVHGAISA-N 0 0 488.926 4.021 20 0 JIADRN COCCN(C)c1nc(C2CCN(C(F)(F)c3cnc(Cl)cn3)CC2)cc2c1ncn2C(C)C ZINC001165010228 721693543 /nfs/dbraw/zinc/69/35/43/721693543.db2.gz ULAOKNYGVLYOLY-UHFFFAOYSA-N 0 0 493.990 4.467 20 0 JIADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc(Cl)ncn1)C[C@H]2c1ccccc1 ZINC001164913751 721739295 /nfs/dbraw/zinc/73/92/95/721739295.db2.gz XLZPQSXIPYJLIL-AVRDEDQJSA-N 0 0 455.896 4.097 20 0 JIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC001164911829 721740138 /nfs/dbraw/zinc/74/01/38/721740138.db2.gz KTOJVSLBVXYJKY-YADARESESA-N 0 0 498.965 4.163 20 0 JIADRN Cc1cc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c(Cl)nn1 ZINC001164910629 721742545 /nfs/dbraw/zinc/74/25/45/721742545.db2.gz HCJIVJULLBKLBU-OFNKIYASSA-N 0 0 469.923 4.405 20 0 JIADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]12 ZINC001165013589 721754882 /nfs/dbraw/zinc/75/48/82/721754882.db2.gz OJPNCLHOPKYLMW-FCEUIQTBSA-N 0 0 490.982 4.143 20 0 JIADRN COc1ccc(-c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)c(OC)c1 ZINC001164909624 721762521 /nfs/dbraw/zinc/76/25/21/721762521.db2.gz CZALTPMKBJCPMA-UHFFFAOYSA-N 0 0 471.561 4.344 20 0 JIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)[C@H]2C1 ZINC001165014211 721772634 /nfs/dbraw/zinc/77/26/34/721772634.db2.gz AYDHLZODEKDZJL-ZBFHGGJFSA-N 0 0 459.884 4.071 20 0 JIADRN 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COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C2CCC(C)CC2)c(OC)c1 ZINC001315484728 1064353343 /nfs/dbraw/zinc/35/33/43/1064353343.db2.gz VBGFZLFPBLVFBM-UHFFFAOYSA-N 0 0 464.570 4.006 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC([C@H]3CCCO3)CC2)cc1OC(F)F ZINC001315485125 1064353970 /nfs/dbraw/zinc/35/39/70/1064353970.db2.gz ILPAOSIILVRCCN-GOSISDBHSA-N 0 0 450.530 4.455 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC(c3ccnn3C)CC2)cc1Br ZINC001315485567 1064355526 /nfs/dbraw/zinc/35/55/26/1064355526.db2.gz UKRCNIGNVYOLFJ-UHFFFAOYSA-N 0 0 473.419 4.338 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1Cl ZINC001315485527 1064355578 /nfs/dbraw/zinc/35/55/78/1064355578.db2.gz SKAUSHWHMIUJKI-LJQANCHMSA-N 0 0 458.010 4.237 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1F ZINC001315486121 1064357120 /nfs/dbraw/zinc/35/71/20/1064357120.db2.gz CBHSYFFHZMEABU-IBGZPJMESA-N 0 0 469.561 4.031 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@H](OC)C2)cn1 ZINC001315486255 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VBHJVLXXGHEMLV-UHFFFAOYSA-N 0 0 491.514 4.275 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)c(OC)n1 ZINC001315488079 1064364403 /nfs/dbraw/zinc/36/44/03/1064364403.db2.gz SFSGXHLJVLSHLC-UHFFFAOYSA-N 0 0 486.292 4.167 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)F)c(OC)c1 ZINC001315488074 1064364411 /nfs/dbraw/zinc/36/44/11/1064364411.db2.gz OKMFJIUVOWFYSK-UHFFFAOYSA-N 0 0 484.345 4.203 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cscn2)cc1F ZINC001315489181 1064367914 /nfs/dbraw/zinc/36/79/14/1064367914.db2.gz VTWGFIALUOMIBH-UHFFFAOYSA-N 0 0 491.390 4.335 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCOC2)cc1OC(F)F ZINC001315489236 1064368003 /nfs/dbraw/zinc/36/80/03/1064368003.db2.gz LZYPYHIPCMZBRG-HNNXBMFYSA-N 0 0 479.915 4.125 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)c2ccco2)cn1 ZINC001315489328 1064368734 /nfs/dbraw/zinc/36/87/34/1064368734.db2.gz XIVQWTNBMVWXHI-ZDUSSCGKSA-N 0 0 457.332 4.278 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@@H](SC)C2)cc1O ZINC001315489568 1064370255 /nfs/dbraw/zinc/37/02/55/1064370255.db2.gz PVTXKZNTEKIQAX-QGZVFWFLSA-N 0 0 460.003 4.478 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](OC)C2)c(OC)n1 ZINC001315489948 1064371048 /nfs/dbraw/zinc/37/10/48/1064371048.db2.gz PDBSBMYNMSFWAU-CTNGQTDRSA-N 0 0 481.597 4.111 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2C[C@H](OC)C(C)(C)C2)cn1 ZINC001315490091 1064371982 /nfs/dbraw/zinc/37/19/82/1064371982.db2.gz XUSZXFHQXVHHSX-QFIPXVFZSA-N 0 0 481.597 4.054 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001315490750 1064374210 /nfs/dbraw/zinc/37/42/10/1064374210.db2.gz CRDVYHLBPPMZNW-KRWDZBQOSA-N 0 0 499.015 4.496 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cn1 ZINC001315491230 1064375710 /nfs/dbraw/zinc/37/57/10/1064375710.db2.gz ROIDWXZBJHQJSQ-MRXNPFEDSA-N 0 0 465.451 4.084 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCCO[C@@H](C)C2)cc1Br ZINC001315491256 1064375900 /nfs/dbraw/zinc/37/59/00/1064375900.db2.gz IWXZHQCPNCCWIM-INIZCTEOSA-N 0 0 472.387 4.083 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C(C)(C)C)C2)c(OC)n1 ZINC001315492371 1064378718 /nfs/dbraw/zinc/37/87/18/1064378718.db2.gz ZUGPJKYWFIKMQV-SFHVURJKSA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)cc1F ZINC001315492971 1064379437 /nfs/dbraw/zinc/37/94/37/1064379437.db2.gz KJNPKYHZAQHUEJ-UHFFFAOYSA-N 0 0 483.510 4.027 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1Cl ZINC001315492774 1064379508 /nfs/dbraw/zinc/37/95/08/1064379508.db2.gz CIMYBRBZAOFGPM-AWEZNQCLSA-N 0 0 457.928 4.329 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001315493022 1064380149 /nfs/dbraw/zinc/38/01/49/1064380149.db2.gz MINPPGZWNJBAEN-INIZCTEOSA-N 0 0 459.566 4.093 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)o2)cc1 ZINC001315493718 1064380878 /nfs/dbraw/zinc/38/08/78/1064380878.db2.gz APDCRFPBSSPTJY-MRXNPFEDSA-N 0 0 461.360 4.221 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC(C)(C)C)cn1 ZINC001315493982 1064382443 /nfs/dbraw/zinc/38/24/43/1064382443.db2.gz DNGWZTXVNQTSGA-LJQANCHMSA-N 0 0 472.634 4.327 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCOC(C)(C)[C@H]2C)cc1Br ZINC001315494231 1064383141 /nfs/dbraw/zinc/38/31/41/1064383141.db2.gz HEDXIAHKICZVMY-DNVCBOLYSA-N 0 0 479.419 4.343 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1OC ZINC001315494673 1064384516 /nfs/dbraw/zinc/38/45/16/1064384516.db2.gz NPHFBHYYQZSWAD-FCEWJHQRSA-N 0 0 450.530 4.313 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c(F)c1 ZINC001315495315 1064387103 /nfs/dbraw/zinc/38/71/03/1064387103.db2.gz SIBCOZGLFARHDG-SFHVURJKSA-N 0 0 470.467 4.064 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCS[C@H](C)[C@H]2C)cc1Br ZINC001315495915 1064387692 /nfs/dbraw/zinc/38/76/92/1064387692.db2.gz KUXVPNYUZQQYQY-BFYDXBDKSA-N 0 0 481.460 4.322 20 0 JIADRN COc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)cc1OC(F)F ZINC001315495959 1064388534 /nfs/dbraw/zinc/38/85/34/1064388534.db2.gz LCBODHXXRDHBQL-UHFFFAOYSA-N 0 0 497.543 4.049 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC001315497640 1064390914 /nfs/dbraw/zinc/39/09/14/1064390914.db2.gz MZEDVHFUYILPJM-HJPURHCSSA-N 0 0 482.547 4.327 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)c(C(F)(F)F)c1 ZINC001315497722 1064391110 /nfs/dbraw/zinc/39/11/10/1064391110.db2.gz PNGUJPZLHKXLOJ-INIZCTEOSA-N 0 0 486.560 4.025 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C2CCC(NC(C)=O)CC2)cc1OC(F)F ZINC001315497900 1064391725 /nfs/dbraw/zinc/39/17/25/1064391725.db2.gz QNLHHKXPUCTEPY-UHFFFAOYSA-N 0 0 493.599 4.409 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC001315498433 1064392832 /nfs/dbraw/zinc/39/28/32/1064392832.db2.gz HVJXTZQQYKPJRH-UHFFFAOYSA-N 0 0 467.639 4.384 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)c(F)c1 ZINC001315499518 1064396994 /nfs/dbraw/zinc/39/69/94/1064396994.db2.gz AXUHPFUOECZXER-UHFFFAOYSA-N 0 0 486.636 4.273 20 0 JIADRN COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnc(C)s2)c(OC)n1 ZINC001315499639 1064397965 /nfs/dbraw/zinc/39/79/65/1064397965.db2.gz QEJBWKHTULDTOW-UHFFFAOYSA-N 0 0 486.548 4.009 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccccc2C)c(OC)n1 ZINC001315500240 1064399392 /nfs/dbraw/zinc/39/93/92/1064399392.db2.gz BGEPHBIGLUCFPX-LJQANCHMSA-N 0 0 458.566 4.230 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@]3(CCCOC3)C2)cc1Br ZINC001315500593 1064400963 /nfs/dbraw/zinc/40/09/63/1064400963.db2.gz JFRZDOWWPDNSHK-GAJHUEQPSA-N 0 0 493.446 4.070 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H]3OCCC[C@H]3C2)cc1OC(F)F ZINC001315500984 1064402082 /nfs/dbraw/zinc/40/20/82/1064402082.db2.gz NFQGVNNNGVLFOG-ROUUACIJSA-N 0 0 450.530 4.140 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC=C(C)CC2)cc1Br ZINC001315501335 1064402724 /nfs/dbraw/zinc/40/27/24/1064402724.db2.gz ONEHCSTYJBYYKX-UHFFFAOYSA-N 0 0 454.372 4.240 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(C)=O)C[C@H]2C)c(C(F)(F)F)c1 ZINC001315502118 1064405273 /nfs/dbraw/zinc/40/52/73/1064405273.db2.gz LGYMFPINTAEPIP-MRXNPFEDSA-N 0 0 479.547 4.144 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCSCC2)cc1Br ZINC001315502325 1064406127 /nfs/dbraw/zinc/40/61/27/1064406127.db2.gz RJHQACPDIQEYOR-UHFFFAOYSA-N 0 0 451.434 4.383 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccoc2C)c(OC)c1OC ZINC001315502738 1064406922 /nfs/dbraw/zinc/40/69/22/1064406922.db2.gz FRLUVIQPRNPZTE-UHFFFAOYSA-N 0 0 483.594 4.246 20 0 JIADRN COc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[C@H](C)[C@H]2C)c(OC)n1 ZINC001315503605 1064409892 /nfs/dbraw/zinc/40/98/92/1064409892.db2.gz GRPXWHYIRUMRET-PKOBYXMFSA-N 0 0 451.571 4.169 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001315503766 1064410751 /nfs/dbraw/zinc/41/07/51/1064410751.db2.gz SZPBVFSGQPMEHK-IBGZPJMESA-N 0 0 499.637 4.099 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2CCC=C(Br)C2)cc1OC(F)F ZINC001315503699 1064410794 /nfs/dbraw/zinc/41/07/94/1064410794.db2.gz PJPBJFQDAQZOHK-UHFFFAOYSA-N 0 0 469.330 4.378 20 0 JIADRN COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)[C@@H](C)C2)cc1Cl ZINC001315504216 1064412998 /nfs/dbraw/zinc/41/29/98/1064412998.db2.gz NGLZUQZXZNKKGF-GJZGRUSLSA-N 0 0 460.003 4.072 20 0 JIADRN COc1ccc(CN2CCN(c3nnc(CC4CCCC4)n3CCCOC(F)(F)F)CC2)cc1F ZINC001315504438 1064414644 /nfs/dbraw/zinc/41/46/44/1064414644.db2.gz CSAWHETWQOHFKW-UHFFFAOYSA-N 0 0 499.553 4.407 20 0 JIADRN COc1ccc(CN2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)SC)CC2)cc1F ZINC001315504792 1064416587 /nfs/dbraw/zinc/41/65/87/1064416587.db2.gz ISYHRNXGIGPYCT-UHFFFAOYSA-N 0 0 463.667 4.478 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)CCSC)cn1 ZINC001315505091 1064417355 /nfs/dbraw/zinc/41/73/55/1064417355.db2.gz GHPNSFJWIYRWTM-QRQLOZEOSA-N 0 0 490.674 4.079 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cn1 ZINC001315505898 1064421122 /nfs/dbraw/zinc/42/11/22/1064421122.db2.gz MLVBJLSFIXTVKI-PXNSSMCTSA-N 0 0 491.514 4.082 20 0 JIADRN COc1ccc(Cn2c(N3CCC(NC(=O)C(C)C)CC3)nnc2C(C)(C)C)cc1Br ZINC001315507058 1064425993 /nfs/dbraw/zinc/42/59/93/1064425993.db2.gz IAVKPNOLEFGWEP-UHFFFAOYSA-N 0 0 492.462 4.136 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1OC(F)F ZINC001315507262 1064427617 /nfs/dbraw/zinc/42/76/17/1064427617.db2.gz NWAJQWUMXFTORV-QGZVFWFLSA-N 0 0 466.529 4.182 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)C[C@H](C)C2)cc1O ZINC001315507513 1064428491 /nfs/dbraw/zinc/42/84/91/1064428491.db2.gz LCLGDHRRJFFUPF-QGZVKYPTSA-N 0 0 485.629 4.294 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001315507885 1064430076 /nfs/dbraw/zinc/43/00/76/1064430076.db2.gz ZTXOEUWDYJBURU-YGWPLHOASA-N 0 0 482.547 4.410 20 0 JIADRN COc1ccc(Cn2c(N(CC(C)C)C3CCCC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001315508116 1064430969 /nfs/dbraw/zinc/43/09/69/1064430969.db2.gz RIZSTWXATYXPIJ-VWLOTQADSA-N 0 0 457.619 4.176 20 0 JIADRN COc1ccc(Cn2c(N3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cn1 ZINC001315508488 1064432478 /nfs/dbraw/zinc/43/24/78/1064432478.db2.gz ZSBXBYDZKQGTTM-MJGOQNOKSA-N 0 0 472.634 4.157 20 0 JIADRN COc1ccc(Cn2c(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cn1 ZINC001315508489 1064432560 /nfs/dbraw/zinc/43/25/60/1064432560.db2.gz ZSBXBYDZKQGTTM-PKOBYXMFSA-N 0 0 472.634 4.157 20 0 JIADRN COc1ccc(COCCCn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)cc1 ZINC001315508783 1064434188 /nfs/dbraw/zinc/43/41/88/1064434188.db2.gz JIBNNWBCFQUBMD-UHFFFAOYSA-N 0 0 486.374 4.128 20 0 JIADRN COc1ccc(COCCCn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(F)F)C2)cc1 ZINC001315509120 1064434897 /nfs/dbraw/zinc/43/48/97/1064434897.db2.gz TVMQJGPTOPVTOA-UYAOXDASSA-N 0 0 450.530 4.227 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC(C)C)CC1 ZINC001315509387 1064435783 /nfs/dbraw/zinc/43/57/83/1064435783.db2.gz AIKMBDULKRRDIZ-KRWDZBQOSA-N 0 0 481.062 4.305 20 0 JIADRN COc1ccc(Cl)cc1Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001315509810 1064438599 /nfs/dbraw/zinc/43/85/99/1064438599.db2.gz IDCGWPSMWXANQX-SZNDQCEHSA-N 0 0 488.938 4.022 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(C2CCCC2)n1Cc1ccc(C)n(C)c1=O ZINC001315509768 1064438657 /nfs/dbraw/zinc/43/86/57/1064438657.db2.gz GTUWDIWGLHEMGF-UHFFFAOYSA-N 0 0 455.990 4.290 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccsc1 ZINC001315510030 1064439565 /nfs/dbraw/zinc/43/95/65/1064439565.db2.gz IDBBKHDLRYLQFC-WAIKUNEKSA-N 0 0 477.030 4.440 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001315510033 1064439586 /nfs/dbraw/zinc/43/95/86/1064439586.db2.gz IIBTVNAMHQKELE-IEBWSBKVSA-N 0 0 455.990 4.377 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001315510294 1064441269 /nfs/dbraw/zinc/44/12/69/1064441269.db2.gz JXGVEOQHQSRDOQ-NTKDMRAZSA-N 0 0 487.048 4.499 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCO2)n1CCc1nccc(C(F)(F)F)n1 ZINC001315511086 1064445493 /nfs/dbraw/zinc/44/54/93/1064445493.db2.gz RJOYBFKXIKHILN-QGZVFWFLSA-N 0 0 496.921 4.480 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)C(C)(C)C ZINC001315511818 1064448035 /nfs/dbraw/zinc/44/80/35/1064448035.db2.gz VXIPVNLMABRZIA-UHFFFAOYSA-N 0 0 491.061 4.095 20 0 JIADRN COc1ccc(COCCn2c(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001315513701 1064454167 /nfs/dbraw/zinc/45/41/67/1064454167.db2.gz JEEZXSSOXKSJLY-FQEVSTJZSA-N 0 0 487.645 4.247 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCC(OC)CC1 ZINC001315513192 1064454263 /nfs/dbraw/zinc/45/42/63/1064454263.db2.gz IPTFYISCTNNLEB-UHFFFAOYSA-N 0 0 476.021 4.018 20 0 JIADRN COc1ccc(COCCn2c(CC(C)(C)C)nnc2N2CCn3cc(C(F)(F)F)nc3C2)cc1 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COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOc2ccc(Cl)cn2)C1 ZINC001315991482 1065564336 /nfs/dbraw/zinc/56/43/36/1065564336.db2.gz BGEXAEBNIUMALH-IBGZPJMESA-N 0 0 499.015 4.137 20 0 JIADRN COCC[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)OC(C)(C)C)C1 ZINC001315991780 1065565323 /nfs/dbraw/zinc/56/53/23/1065565323.db2.gz KTXPWMGMRZHKAA-LJQANCHMSA-N 0 0 480.613 4.189 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001315992179 1065565773 /nfs/dbraw/zinc/56/57/73/1065565773.db2.gz FAMRGENPSPGPPA-AWEZNQCLSA-N 0 0 494.463 4.027 20 0 JIADRN COCC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001315992462 1065566469 /nfs/dbraw/zinc/56/64/69/1065566469.db2.gz OVFFBKALAJQYKZ-YGWSKSRPSA-N 0 0 478.678 4.023 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(C)c2)C1 ZINC001315992276 1065566543 /nfs/dbraw/zinc/56/65/43/1065566543.db2.gz IRHLGJWHVLACKI-IBGZPJMESA-N 0 0 453.612 4.428 20 0 JIADRN 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COCC[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cc(C)no2)C1 ZINC001315996103 1065575537 /nfs/dbraw/zinc/57/55/37/1065575537.db2.gz YJLLWVWFLVJVHD-MRXNPFEDSA-N 0 0 460.376 4.224 20 0 JIADRN COCC[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001315996341 1065576067 /nfs/dbraw/zinc/57/60/67/1065576067.db2.gz ZJBRQFHAEXWUAV-MJGOQNOKSA-N 0 0 460.644 4.357 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCc2cc(Br)ccc2F)C1 ZINC001315996762 1065576993 /nfs/dbraw/zinc/57/69/93/1065576993.db2.gz ULWONTIVZSJHGW-INIZCTEOSA-N 0 0 476.394 4.291 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(Br)s2)C1 ZINC001315996790 1065577005 /nfs/dbraw/zinc/57/70/05/1065577005.db2.gz VFGTWSBFXZMRTJ-HNNXBMFYSA-N 0 0 462.417 4.270 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC2(C)C)C1 ZINC001315997676 1065578341 /nfs/dbraw/zinc/57/83/41/1065578341.db2.gz AHGCUNBVZCYNPM-ICSRJNTNSA-N 0 0 461.651 4.302 20 0 JIADRN COCCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnc(C)s1 ZINC001315998100 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/nfs/dbraw/zinc/58/05/82/1065580582.db2.gz NGTTWOOLLLGZMV-QZTJIDSGSA-N 0 0 471.989 4.332 20 0 JIADRN COCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccsc2)CC1 ZINC001315999251 1065580934 /nfs/dbraw/zinc/58/09/34/1065580934.db2.gz QYHCHYWRYJCRMO-UHFFFAOYSA-N 0 0 454.600 4.188 20 0 JIADRN COCC[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001315999472 1065581587 /nfs/dbraw/zinc/58/15/87/1065581587.db2.gz JWWYLHMRMADBSG-HXUWFJFHSA-N 0 0 467.589 4.491 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC001316000541 1065583377 /nfs/dbraw/zinc/58/33/77/1065583377.db2.gz NJWIMJMGPZUYEE-ICSRJNTNSA-N 0 0 455.990 4.248 20 0 JIADRN COCC[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC001316001882 1065585598 /nfs/dbraw/zinc/58/55/98/1065585598.db2.gz QSULZHYUNOHJSD-INIZCTEOSA-N 0 0 450.530 4.457 20 0 JIADRN COCC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)C1 ZINC001316001934 1065585640 /nfs/dbraw/zinc/58/56/40/1065585640.db2.gz 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCOc1ccc(F)cc1 ZINC001316297982 1066058469 /nfs/dbraw/zinc/05/84/69/1066058469.db2.gz SAIYJEXRNADMAE-NDIWIEOSSA-N 0 0 490.620 4.252 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC3(C2)CCCCCC3)n1CCCCSC ZINC001316298534 1066059225 /nfs/dbraw/zinc/05/92/25/1066059225.db2.gz JFLKIDRZLBEEHX-PMACEKPBSA-N 0 0 452.665 4.075 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(OC)c(OC(F)F)c3)CC[C@H]12 ZINC001316299418 1066059718 /nfs/dbraw/zinc/05/97/18/1066059718.db2.gz IEXJSNPQWBBDQZ-RCCFBDPRSA-N 0 0 464.557 4.147 20 0 JIADRN CON(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001316301078 1066061045 /nfs/dbraw/zinc/06/10/45/1066061045.db2.gz GCFCXUNORIAMNJ-UHFFFAOYSA-N 0 0 477.363 4.429 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(-c4ccccc4Br)n3CC(C)(C)COC)CC[C@H]12 ZINC001316301654 1066061978 /nfs/dbraw/zinc/06/19/78/1066061978.db2.gz LRVXSNHTXCWHNB-CGTJXYLNSA-N 0 0 463.420 4.099 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC[C@@H]2C)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001316301967 1066062330 /nfs/dbraw/zinc/06/23/30/1066062330.db2.gz SDTIDQZKCRWEBN-BOSXTWCSSA-N 0 0 467.035 4.065 20 0 JIADRN CON(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001316304074 1066064706 /nfs/dbraw/zinc/06/47/06/1066064706.db2.gz BWFIZBYXLKHSKR-UHFFFAOYSA-N 0 0 492.321 4.346 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(COc4ccc(Br)cc4)n3C[C@H](OC)C(C)C)CC[C@H]12 ZINC001316303908 1066064818 /nfs/dbraw/zinc/06/48/18/1066064818.db2.gz UPFABKPZAIZHFB-BQJUDKOJSA-N 0 0 493.446 4.009 20 0 JIADRN CON(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001316304339 1066065157 /nfs/dbraw/zinc/06/51/57/1066065157.db2.gz LJEMTLXVXXTITG-QFBILLFUSA-N 0 0 478.018 4.204 20 0 JIADRN CON(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001316305418 1066066174 /nfs/dbraw/zinc/06/61/74/1066066174.db2.gz XUQMTTMMNCHNMG-MRXNPFEDSA-N 0 0 469.533 4.193 20 0 JIADRN 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OGINSRNCMUMUSE-LJQANCHMSA-N 0 0 490.693 4.108 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCOCC2)C[C@H](C)C1(F)F ZINC001316495824 1066442885 /nfs/dbraw/zinc/44/28/85/1066442885.db2.gz HAGYZFYBFZBVGQ-CALCHBBNSA-N 0 0 498.416 4.157 20 0 JIADRN S=c1n(CN2CCCN3c4ccccc4C[C@H]3C2)nc(-c2ccccn2)n1Cc1ccco1 ZINC001336705479 1066443812 /nfs/dbraw/zinc/44/38/12/1066443812.db2.gz JQLZJMHLHDHNTD-FQEVSTJZSA-N 0 0 458.591 4.212 20 0 JIADRN C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(c2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001316496055 1066443846 /nfs/dbraw/zinc/44/38/46/1066443846.db2.gz BOMQJPFIGOMMPT-HXUWFJFHSA-N 0 0 496.681 4.365 20 0 JIADRN C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001316496376 1066445231 /nfs/dbraw/zinc/44/52/31/1066445231.db2.gz KQULCPBXOIUAAY-MRXNPFEDSA-N 0 0 493.052 4.257 20 0 JIADRN Cc1cccc([C@@H](CC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)NC(N)=O)c1 ZINC001336773047 1066447085 /nfs/dbraw/zinc/44/70/85/1066447085.db2.gz AZQLXBYVYDUBQR-OAHLLOKOSA-N 0 0 460.909 4.070 20 0 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GOQAMIAWSSGQQM-INIZCTEOSA-N 0 0 478.437 4.034 20 0 JIADRN OCC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001316584623 1066605131 /nfs/dbraw/zinc/60/51/31/1066605131.db2.gz ILYLGVHQUMAQEO-CQSZACIVSA-N 0 0 473.337 4.491 20 0 JIADRN Oc1ccc(C2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOCC(F)F)CC2)cc1 ZINC001316585034 1066605769 /nfs/dbraw/zinc/60/57/69/1066605769.db2.gz NHUKEAAGCNYCKS-UHFFFAOYSA-N 0 0 496.356 4.407 20 0 JIADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(F)(F)F)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC001343273605 1066606026 /nfs/dbraw/zinc/60/60/26/1066606026.db2.gz ROMUOKWIDCESMX-UTKZUKDTSA-N 0 0 467.440 4.302 20 0 JIADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC001343291779 1066607808 /nfs/dbraw/zinc/60/78/08/1066607808.db2.gz DYULZELENYSRQK-AREMUKBSSA-N 0 0 498.579 4.494 20 0 JIADRN OCc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC001316585921 1066608452 /nfs/dbraw/zinc/60/84/52/1066608452.db2.gz YOXVDPKJFJNXEH-UHFFFAOYSA-N 0 0 471.405 4.202 20 0 JIADRN Cc1cc(CN2CCCN(C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)CC2)no1 ZINC001343317249 1066609357 /nfs/dbraw/zinc/60/93/57/1066609357.db2.gz OPPOMDXOYCLVEU-UHFFFAOYSA-N 0 0 477.940 4.060 20 0 JIADRN O=C(OCc1noc(-c2ccc(F)cc2)n1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001343327027 1066610132 /nfs/dbraw/zinc/61/01/32/1066610132.db2.gz HCTOSNBCDCEXNY-OAHLLOKOSA-N 0 0 475.423 4.073 20 0 JIADRN O=C(COc1ccccc1C(=O)OCc1nc2cccnc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC001343329726 1066610940 /nfs/dbraw/zinc/61/09/40/1066610940.db2.gz DZILSVBVOAXBHS-UHFFFAOYSA-N 0 0 470.407 4.351 20 0 JIADRN OCCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001316586642 1066611222 /nfs/dbraw/zinc/61/12/22/1066611222.db2.gz AAUSZJWZIHZEAG-WOJBJXKFSA-N 0 0 452.958 4.053 20 0 JIADRN OCCCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001316587311 1066612549 /nfs/dbraw/zinc/61/25/49/1066612549.db2.gz IWAPOAGBKXQVJO-JOCHJYFZSA-N 0 0 489.542 4.413 20 0 JIADRN 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20 0 JIADRN OCCN(Cc1ccc(F)c(Br)c1)c1nnc(-c2ccc[nH]2)n1CC1CCCC1 ZINC001316592227 1066624436 /nfs/dbraw/zinc/62/44/36/1066624436.db2.gz WYDXQHVAGDOLNU-UHFFFAOYSA-N 0 0 462.367 4.364 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001492539214 1066624878 /nfs/dbraw/zinc/62/48/78/1066624878.db2.gz GPGGJZKTKHGYAP-SFHVURJKSA-N 0 0 475.515 4.490 20 0 JIADRN OCCN(CCc1ccccc1)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC=CCO1 ZINC001316592384 1066625142 /nfs/dbraw/zinc/62/51/42/1066625142.db2.gz QFKSWXZEZQJBKW-SFHVURJKSA-N 0 0 489.439 4.156 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001492539537 1066626467 /nfs/dbraw/zinc/62/64/67/1066626467.db2.gz CUUQJUZIGNDEIO-JOCHJYFZSA-N 0 0 465.598 4.401 20 0 JIADRN Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)N2CCOCC2)c1 ZINC001492481113 1066626589 /nfs/dbraw/zinc/62/65/89/1066626589.db2.gz SFCKTEHXYNHPKT-RUZDIDTESA-N 0 0 482.717 4.342 20 0 JIADRN COc1ccc(Cn2ncc3cc(C(=O)OCc4noc(-c5ccc(F)cc5)n4)cnc32)c(OC)c1 ZINC001344388388 1066627939 /nfs/dbraw/zinc/62/79/39/1066627939.db2.gz MKWHYXCTTQSLGS-UHFFFAOYSA-N 0 0 489.463 4.043 20 0 JIADRN Cc1cccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCCC(F)(F)F)c1 ZINC001492540270 1066627953 /nfs/dbraw/zinc/62/79/53/1066627953.db2.gz UBBSVAGNEIYFPJ-UHFFFAOYSA-N 0 0 456.509 4.343 20 0 JIADRN C[C@H](OC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)NCc1ccco1 ZINC001317689984 1066630423 /nfs/dbraw/zinc/63/04/23/1066630423.db2.gz FFNRPDHCWBFBJC-ZDUSSCGKSA-N 0 0 461.337 4.450 20 0 JIADRN CCOC(=O)c1c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)sc2c1CC[C@H](C)C2 ZINC001317689591 1066630429 /nfs/dbraw/zinc/63/04/29/1066630429.db2.gz RHQPJKBLXJDWRE-NSHDSACASA-N 0 0 455.985 4.359 20 0 JIADRN Cc1ccc(NC(=O)CSc2nnc(NC(=O)COc3ccc4c(c3)CCC4)s2)c(C)c1 ZINC001317689632 1066630509 /nfs/dbraw/zinc/63/05/09/1066630509.db2.gz SJUBYEDRFVJWMI-UHFFFAOYSA-N 0 0 468.604 4.392 20 0 JIADRN O=C(Nc1ccc(C(=O)Oc2ccccc2C(=O)NCc2ccccc2)cc1)c1ccc(=O)[nH]c1 ZINC001344539322 1066631570 /nfs/dbraw/zinc/63/15/70/1066631570.db2.gz DOKVSPLGJLADIB-UHFFFAOYSA-N 0 0 467.481 4.189 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC001317696481 1066633815 /nfs/dbraw/zinc/63/38/15/1066633815.db2.gz VSNJEKQZSQQKJU-GOSISDBHSA-N 0 0 467.543 4.096 20 0 JIADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc(Br)s1 ZINC001317696733 1066633841 /nfs/dbraw/zinc/63/38/41/1066633841.db2.gz KSELQGNVRYMTIY-ZDUSSCGKSA-N 0 0 490.828 4.442 20 0 JIADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc(Br)s1 ZINC001317696732 1066633917 /nfs/dbraw/zinc/63/39/17/1066633917.db2.gz KSELQGNVRYMTIY-CYBMUJFWSA-N 0 0 490.828 4.442 20 0 JIADRN Cc1c(C(=O)OCc2nnc(-c3ccccc3Cl)o2)nnn1-c1ccc(OC(C)C)cc1 ZINC001344567672 1066633998 /nfs/dbraw/zinc/63/39/98/1066633998.db2.gz IBYHKJAXPUQWQU-UHFFFAOYSA-N 0 0 453.886 4.423 20 0 JIADRN Cc1nc2scc(-c3ccccc3)c2c(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC001317697946 1066634615 /nfs/dbraw/zinc/63/46/15/1066634615.db2.gz 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ZINC001355881450 1067597471 /nfs/dbraw/zinc/59/74/71/1067597471.db2.gz IKDQHNUFXCMZBE-UHFFFAOYSA-N 0 0 459.329 4.070 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC2CC(F)(F)C2)c(OC)c1 ZINC001300074066 1067597600 /nfs/dbraw/zinc/59/76/00/1067597600.db2.gz CZKVTIISXIJNBB-AWEZNQCLSA-N 0 0 489.489 4.080 20 0 JIADRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)[C@]3(C(=O)OC(C)(C)C)C[C@H]3C)n2)cc1 ZINC001355889315 1067599489 /nfs/dbraw/zinc/59/94/89/1067599489.db2.gz WOPPRDPMBIODGY-MYYSRTQBSA-N 0 0 457.596 4.185 20 0 JIADRN CSc1ccccc1NC(=O)CN(C)C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC001352651633 1067601431 /nfs/dbraw/zinc/60/14/31/1067601431.db2.gz LVBPZLGLUZWVCC-UHFFFAOYSA-N 0 0 450.586 4.231 20 0 JIADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC001355898643 1067601613 /nfs/dbraw/zinc/60/16/13/1067601613.db2.gz WHMCYJVFQROCRP-HXUWFJFHSA-N 0 0 452.511 4.010 20 0 JIADRN Cc1c(Br)cccc1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001352652454 1067601661 /nfs/dbraw/zinc/60/16/61/1067601661.db2.gz WHBXWBKJXSKUGC-FQEVSTJZSA-N 0 0 451.792 4.143 20 0 JIADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC001355898696 1067602478 /nfs/dbraw/zinc/60/24/78/1067602478.db2.gz WMSIUHZKKHZDLF-OZXSUGGESA-N 0 0 455.558 4.488 20 0 JIADRN CN(Cc1csc(Br)c1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC001355903135 1067604544 /nfs/dbraw/zinc/60/45/44/1067604544.db2.gz PLTMICHLKFKJCS-UHFFFAOYSA-N 0 0 456.163 4.126 20 0 JIADRN COc1ccc(CN2CCO[C@H]3CN(C(=S)Nc4cccc5ccccc54)CC[C@H]3C2=O)cc1 ZINC001200097592 1067604818 /nfs/dbraw/zinc/60/48/18/1067604818.db2.gz LBBBRSXPAIMSQE-NOZRDPDXSA-N 0 0 475.614 4.295 20 0 JIADRN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1 ZINC000847393550 1067604939 /nfs/dbraw/zinc/60/49/39/1067604939.db2.gz GTLATGFSOYFVFN-QGZVFWFLSA-N 0 0 462.502 4.449 20 0 JIADRN Cc1ccc(CNC(=O)c2nn(C(C)(C)C)cc2Br)c(OC[C@@H]2CCCO2)c1 ZINC001355908037 1067606331 /nfs/dbraw/zinc/60/63/31/1067606331.db2.gz XTKQYLDAVUSZPZ-INIZCTEOSA-N 0 0 450.377 4.197 20 0 JIADRN COc1ccc(Br)cc1C[C@H](CO)CNC(=O)Nc1cccc(CSC)c1 ZINC001200097824 1067606557 /nfs/dbraw/zinc/60/65/57/1067606557.db2.gz HMUOICBUCINIQI-HNNXBMFYSA-N 0 0 453.402 4.293 20 0 JIADRN Cc1cccc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)CC2)c1 ZINC001352658190 1067607469 /nfs/dbraw/zinc/60/74/69/1067607469.db2.gz LPQKZYBNTPEJHB-XOJVXBCLSA-N 0 0 451.998 4.392 20 0 JIADRN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001352658838 1067607671 /nfs/dbraw/zinc/60/76/71/1067607671.db2.gz WGSVGMXQPUVWJR-AWEZNQCLSA-N 0 0 459.984 4.229 20 0 JIADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1(c2ccc(N(C)C)cc2)CC1 ZINC001355914318 1067607915 /nfs/dbraw/zinc/60/79/15/1067607915.db2.gz PQAPCLQKQWNCRS-UHFFFAOYSA-N 0 0 453.583 4.057 20 0 JIADRN CCN1[C@H]2CCN(C(=S)Nc3cccc4ccccc43)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001200098023 1067607824 /nfs/dbraw/zinc/60/78/24/1067607824.db2.gz NHOBWSROQBHRJD-VXKWHMMOSA-N 0 0 481.643 4.473 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NCc3coc(-c4cccs4)n3)o2)CC1 ZINC001355922389 1067609414 /nfs/dbraw/zinc/60/94/14/1067609414.db2.gz UBRRAWGWNYBUNF-UHFFFAOYSA-N 0 0 458.540 4.436 20 0 JIADRN COc1cc(I)ccc1C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC001355921963 1067609519 /nfs/dbraw/zinc/60/95/19/1067609519.db2.gz KOGRBUKEHWXOTJ-UHFFFAOYSA-N 0 0 458.708 4.493 20 0 JIADRN COC[C@@]1(C(=O)NCc2nc3cc(Cl)ccc3s2)CCCCN1C(=O)OC(C)(C)C ZINC001355921613 1067609663 /nfs/dbraw/zinc/60/96/63/1067609663.db2.gz BULWVRRODCKTMJ-OAQYLSRUSA-N 0 0 453.992 4.372 20 0 JIADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(OC(C)(C)C)cc3)c2)C1 ZINC001355922312 1067609686 /nfs/dbraw/zinc/60/96/86/1067609686.db2.gz QYCXSOMGSQHUOH-OALUTQOASA-N 0 0 458.624 4.461 20 0 JIADRN CC(=O)NCc1ccc(-c2nc(NC(=O)CCc3nc(C4CCCC4)no3)sc2C)s1 ZINC001352660649 1067609528 /nfs/dbraw/zinc/60/95/28/1067609528.db2.gz IHOBWLJNJBWLRR-UHFFFAOYSA-N 0 0 459.597 4.428 20 0 JIADRN O=C(Nc1nncs1)C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001355923622 1067610346 /nfs/dbraw/zinc/61/03/46/1067610346.db2.gz NSBPOTYYGUTHNE-UHFFFAOYSA-N 0 0 451.371 4.006 20 0 JIADRN O=C(NC1CCCC1)c1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 ZINC001355924548 1067611098 /nfs/dbraw/zinc/61/10/98/1067611098.db2.gz UIDXBGGVABYAIG-UHFFFAOYSA-N 0 0 450.466 4.283 20 0 JIADRN COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3cccc(N4CCCC4=O)c3)s2)cc1OC ZINC001355924906 1067611143 /nfs/dbraw/zinc/61/11/43/1067611143.db2.gz LPSSRKZLCGGHDZ-HNNXBMFYSA-N 0 0 451.548 4.445 20 0 JIADRN O=C(COc1ccc(I)cc1)Nc1c2ccccc2nc2c1CCCC2 ZINC001352661653 1067611180 /nfs/dbraw/zinc/61/11/80/1067611180.db2.gz PNASSPWZSPIVOQ-UHFFFAOYSA-N 0 0 458.299 4.158 20 0 JIADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC001355938235 1067613531 /nfs/dbraw/zinc/61/35/31/1067613531.db2.gz NWOGYFMCNNXMEF-OPAMFIHVSA-N 0 0 452.429 4.182 20 0 JIADRN COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2csc([C@H](C)OC)n2)c(OC)c1 ZINC001300078700 1067613597 /nfs/dbraw/zinc/61/35/97/1067613597.db2.gz KOFBFFVGDKJVGD-JKSUJKDBSA-N 0 0 487.626 4.178 20 0 JIADRN COc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCC=CO2)cc1Br ZINC001300078773 1067613695 /nfs/dbraw/zinc/61/36/95/1067613695.db2.gz LQAZSIMSTPSWRZ-DOTOQJQBSA-N 0 0 477.403 4.413 20 0 JIADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(C)ccc1I ZINC001355938241 1067613594 /nfs/dbraw/zinc/61/35/94/1067613594.db2.gz PIYYCKGYIJYVLM-SFHVURJKSA-N 0 0 451.304 4.366 20 0 JIADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC001355938231 1067613634 /nfs/dbraw/zinc/61/36/34/1067613634.db2.gz NWOGYFMCNNXMEF-KSFYIVLOSA-N 0 0 452.429 4.182 20 0 JIADRN Cc1nc2ccc(Br)cn2c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC001355943500 1067613979 /nfs/dbraw/zinc/61/39/79/1067613979.db2.gz DBEWXIHKCWZANG-UHFFFAOYSA-N 0 0 450.720 4.150 20 0 JIADRN CON(C)S(=O)(=O)c1ccc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)cc1 ZINC001355944198 1067614009 /nfs/dbraw/zinc/61/40/09/1067614009.db2.gz IBUWXYVKFDXRQU-UHFFFAOYSA-N 0 0 454.335 4.218 20 0 JIADRN Cc1c[nH]c(-c2ccc(NC(=O)C3CCN(S(=O)(=O)C=Cc4ccccc4)CC3)cc2)n1 ZINC001300079154 1067614128 /nfs/dbraw/zinc/61/41/28/1067614128.db2.gz CPHHLBDBERPFMH-DTQAZKPQSA-N 0 0 450.564 4.036 20 0 JIADRN COc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCc2nc(C)c(C)s2)c(OC)c1 ZINC001300079311 1067614758 /nfs/dbraw/zinc/61/47/58/1067614758.db2.gz PIJZAPMWZVSDSO-KRWDZBQOSA-N 0 0 471.627 4.282 20 0 JIADRN CC(C)c1nc([C@H](CO)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cs1 ZINC001300079503 1067615443 /nfs/dbraw/zinc/61/54/43/1067615443.db2.gz XEGVCWKBNGTPLV-HNNXBMFYSA-N 0 0 450.630 4.242 20 0 JIADRN Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(Cc3ccccc3)c2Br)c1C ZINC001352671215 1067619214 /nfs/dbraw/zinc/61/92/14/1067619214.db2.gz NGAUUPMPGLBIIZ-UHFFFAOYSA-N 0 0 455.356 4.021 20 0 JIADRN O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001300081360 1067619633 /nfs/dbraw/zinc/61/96/33/1067619633.db2.gz QSYPMLPOCDMOQI-KRWDZBQOSA-N 0 0 454.412 4.336 20 0 JIADRN COc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1OC ZINC001300083017 1067621420 /nfs/dbraw/zinc/62/14/20/1067621420.db2.gz GXFIMTKJCQHRRJ-SFGWALBWSA-N 0 0 472.630 4.417 20 0 JIADRN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3F)CC2)cc1 ZINC001355970900 1067621637 /nfs/dbraw/zinc/62/16/37/1067621637.db2.gz CHSWAOBNVFTDFG-UHFFFAOYSA-N 0 0 459.370 4.232 20 0 JIADRN O=C(Cc1cc(Cl)cc2ccccc21)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001352680538 1067621952 /nfs/dbraw/zinc/62/19/52/1067621952.db2.gz CKKNTVGLDZVSMW-JMIUGGIZSA-N 0 0 451.935 4.283 20 0 JIADRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)CCC2=O)cc1C ZINC001355972249 1067622261 /nfs/dbraw/zinc/62/22/61/1067622261.db2.gz OLTINBBMYYEBNF-LJQANCHMSA-N 0 0 455.002 4.090 20 0 JIADRN C[C@H](c1ccccc1)n1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC001355974116 1067623167 /nfs/dbraw/zinc/62/31/67/1067623167.db2.gz JFIGTKJJQUPMOP-XMSQKQJNSA-N 0 0 459.550 4.408 20 0 JIADRN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC001355979980 1067624252 /nfs/dbraw/zinc/62/42/52/1067624252.db2.gz AEVNEALXRASBCC-GJZGRUSLSA-N 0 0 457.328 4.251 20 0 JIADRN COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@](C)(O)c2ccco2)cc1Br ZINC001300085032 1067625933 /nfs/dbraw/zinc/62/59/33/1067625933.db2.gz JSPAMDPMZRJKGU-QKKBWIMNSA-N 0 0 493.427 4.159 20 0 JIADRN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001355992978 1067626167 /nfs/dbraw/zinc/62/61/67/1067626167.db2.gz RZYUTQRGOZDLTQ-WFXMLNOXSA-N 0 0 458.624 4.167 20 0 JIADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)c1 ZINC001355996928 1067626605 /nfs/dbraw/zinc/62/66/05/1067626605.db2.gz LVKZXWURFDNCGG-LBPRGKRZSA-N 0 0 458.408 4.200 20 0 JIADRN COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](OC)C2CC2)cc1Br ZINC001300085362 1067627388 /nfs/dbraw/zinc/62/73/88/1067627388.db2.gz SOHGEGWVZKPMMO-SCLBCKFNSA-N 0 0 467.433 4.083 20 0 JIADRN CCOc1ccc([C@@]2(C(=O)N[C@](C)(C(N)=O)c3cccc(Cl)c3)CC2(Cl)Cl)cc1 ZINC001356000530 1067627910 /nfs/dbraw/zinc/62/79/10/1067627910.db2.gz DXUWVNIMAZOYFJ-VQTJNVASSA-N 0 0 455.769 4.071 20 0 JIADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cc2c(c(Br)c1)OCO2 ZINC001356001373 1067628327 /nfs/dbraw/zinc/62/83/27/1067628327.db2.gz XSOQMUSIMNNRCH-UHFFFAOYSA-N 0 0 455.190 4.030 20 0 JIADRN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc(OC)cc1OC ZINC001356002118 1067628467 /nfs/dbraw/zinc/62/84/67/1067628467.db2.gz NMVSQZYVMDAFMO-GFCCVEGCSA-N 0 0 452.301 4.049 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)ccc1OC ZINC001356000604 1067628555 /nfs/dbraw/zinc/62/85/55/1067628555.db2.gz FJWLFXASQRIOFU-SQJMNOBHSA-N 0 0 456.608 4.267 20 0 JIADRN Cc1ccc(CCC(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001356003120 1067628938 /nfs/dbraw/zinc/62/89/38/1067628938.db2.gz UMWJIIIJRVMYNG-IBGZPJMESA-N 0 0 457.290 4.226 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)C1CCCCCC1 ZINC001356002420 1067629044 /nfs/dbraw/zinc/62/90/44/1067629044.db2.gz UUFMSCGWVYCMAV-OAQYLSRUSA-N 0 0 454.571 4.145 20 0 JIADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC001352694898 1067629510 /nfs/dbraw/zinc/62/95/10/1067629510.db2.gz JVGXLGHPEHYQRB-MRXNPFEDSA-N 0 0 458.605 4.121 20 0 JIADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC001356003611 1067629598 /nfs/dbraw/zinc/62/95/98/1067629598.db2.gz IMBZYOOUSFCWBP-UHFFFAOYSA-N 0 0 459.612 4.263 20 0 JIADRN CN(C(N)=O)c1ccc(OC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC001356003774 1067629981 /nfs/dbraw/zinc/62/99/81/1067629981.db2.gz PMDJBUDTUGEWEJ-UKILVPOCSA-N 0 0 457.530 4.287 20 0 JIADRN O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1csc(-c2ncccc2F)n1 ZINC001356005899 1067631163 /nfs/dbraw/zinc/63/11/63/1067631163.db2.gz HTUUPXDNGLKWDA-UHFFFAOYSA-N 0 0 450.495 4.127 20 0 JIADRN COC(=O)c1cc(Br)ccc1OC(=O)[C@H](OC)c1ccccc1Br ZINC001356008507 1067631661 /nfs/dbraw/zinc/63/16/61/1067631661.db2.gz FGFBMQIQKOQETA-OAHLLOKOSA-N 0 0 458.102 4.291 20 0 JIADRN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001200106801 1067632059 /nfs/dbraw/zinc/63/20/59/1067632059.db2.gz ANNIVECCUHUIKD-VWLOTQADSA-N 0 0 486.037 4.192 20 0 JIADRN COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3cccc(OC(F)(F)F)c3)CCC(=O)N2C)cc1 ZINC001356009168 1067632180 /nfs/dbraw/zinc/63/21/80/1067632180.db2.gz CWLADYZHSSZKCX-TZIWHRDSSA-N 0 0 450.457 4.162 20 0 JIADRN Cc1nc(CN2C[C@@]3(CCN(S(=O)(=O)c4ccc(Cl)c5ccccc54)C3)CC2=O)cs1 ZINC001200106926 1067632794 /nfs/dbraw/zinc/63/27/94/1067632794.db2.gz QRRBKZKDBNYSOE-JOCHJYFZSA-N 0 0 476.023 4.071 20 0 JIADRN COc1ccc(NC(=O)c2csc(I)c2Br)c(C)n1 ZINC001356009806 1067633085 /nfs/dbraw/zinc/63/30/85/1067633085.db2.gz OGKLTEIAMHSYMT-UHFFFAOYSA-N 0 0 453.099 4.080 20 0 JIADRN O=C(Nc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1)OCC(F)(F)F ZINC001356011445 1067633164 /nfs/dbraw/zinc/63/31/64/1067633164.db2.gz QPLWQALKELSTJX-UHFFFAOYSA-N 0 0 451.323 4.064 20 0 JIADRN COc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H]2OCCC2(C)C)cc1Br ZINC001300087853 1067633912 /nfs/dbraw/zinc/63/39/12/1067633912.db2.gz JXQHCTGDIIRUMR-KBXCAEBGSA-N 0 0 481.460 4.473 20 0 JIADRN COc1ccc(-c2nnc(N3CCSCC3)n2CCCc2nnc(C)s2)cc1Br ZINC001300087961 1067634537 /nfs/dbraw/zinc/63/45/37/1067634537.db2.gz KLSLBTVDWQKLFU-UHFFFAOYSA-N 0 0 495.472 4.062 20 0 JIADRN Cc1cccc(CCCOC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC001356017363 1067634970 /nfs/dbraw/zinc/63/49/70/1067634970.db2.gz PWXRCCGGTWHISN-SFHVURJKSA-N 0 0 450.322 4.078 20 0 JIADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001352702706 1067635218 /nfs/dbraw/zinc/63/52/18/1067635218.db2.gz MSPNYYKOJVOIDV-LLVKDONJSA-N 0 0 454.741 4.388 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2cccs2)cc1 ZINC001300088334 1067636265 /nfs/dbraw/zinc/63/62/65/1067636265.db2.gz FOAPRJATPWOZGT-AVRWGWEMSA-N 0 0 499.637 4.026 20 0 JIADRN O=C(NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc43)C[C@@H]21)c1ccsc1 ZINC001200107748 1067636388 /nfs/dbraw/zinc/63/63/88/1067636388.db2.gz HDCCHPZBLQGGKF-PAXLWEDBSA-N 0 0 491.034 4.010 20 0 JIADRN COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCOC(C)(C)C)cc1OC ZINC001300088655 1067637288 /nfs/dbraw/zinc/63/72/88/1067637288.db2.gz HOUCGQULSPUWPK-GDBMZVCRSA-N 0 0 456.509 4.412 20 0 JIADRN CN(C)c1nnc(-c2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cc2)o1 ZINC001356028488 1067639754 /nfs/dbraw/zinc/63/97/54/1067639754.db2.gz KPZAJZRDVCOEJU-UHFFFAOYSA-N 0 0 453.587 4.387 20 0 JIADRN COc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)cc1 ZINC001300088932 1067640107 /nfs/dbraw/zinc/64/01/07/1067640107.db2.gz ODQOTWHWQJLWSD-OAHLLOKOSA-N 0 0 483.585 4.055 20 0 JIADRN CC(C)(C)n1cnc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)n1 ZINC001356031533 1067640327 /nfs/dbraw/zinc/64/03/27/1067640327.db2.gz ARDXEPXKOYVAJA-UHFFFAOYSA-N 0 0 453.309 4.014 20 0 JIADRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001356031692 1067640416 /nfs/dbraw/zinc/64/04/16/1067640416.db2.gz CRQTWEUMFYLTKC-UHFFFAOYSA-N 0 0 455.605 4.270 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C)cc1Br ZINC001300089249 1067640453 /nfs/dbraw/zinc/64/04/53/1067640453.db2.gz NYSGIMJFTYQEJA-UKPHBRMFSA-N 0 0 492.418 4.401 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@H]2C[C@H]2C)cc1Br ZINC001300089247 1067640514 /nfs/dbraw/zinc/64/05/14/1067640514.db2.gz NYSGIMJFTYQEJA-KMFMINBZSA-N 0 0 492.418 4.401 20 0 JIADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COc3ccc(Cl)cc32)c1 ZINC001356033059 1067640923 /nfs/dbraw/zinc/64/09/23/1067640923.db2.gz PCZIJBYLJYJISU-OAQYLSRUSA-N 0 0 456.951 4.419 20 0 JIADRN Cc1nc(CN2CC[C@@]3(CCCN(S(=O)(=O)c4ccc(Cl)c5ccccc54)C3)C2=O)cs1 ZINC001200109146 1067642617 /nfs/dbraw/zinc/64/26/17/1067642617.db2.gz MIJLXUWFPMMVMV-HSZRJFAPSA-N 0 0 490.050 4.462 20 0 JIADRN COc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CCCSC)cc1Br ZINC001300089822 1067642690 /nfs/dbraw/zinc/64/26/90/1067642690.db2.gz RRPJMDFOXNQGPM-CYBMUJFWSA-N 0 0 457.463 4.411 20 0 JIADRN COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@](C)(O)c2cc(C)oc2C)cc1 ZINC001300089852 1067643187 /nfs/dbraw/zinc/64/31/87/1067643187.db2.gz RYEUBNWHCMVPOQ-GXYVPTEVSA-N 0 0 456.612 4.401 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1 ZINC001356045128 1067643824 /nfs/dbraw/zinc/64/38/24/1067643824.db2.gz CKPUUZXQJYOLBX-UHFFFAOYSA-N 0 0 458.502 4.473 20 0 JIADRN O=C(c1ccco1)N1CCC2(C1)CCN(S(=O)(=O)c1ccc(Cl)c3ccccc31)CC2 ZINC001200109380 1067644324 /nfs/dbraw/zinc/64/43/24/1067644324.db2.gz PEDQZEIFQUEFBJ-UHFFFAOYSA-N 0 0 458.967 4.403 20 0 JIADRN CCCN(C(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCc2ccccc2C1 ZINC001356053658 1067645850 /nfs/dbraw/zinc/64/58/50/1067645850.db2.gz XIEDHDSKOGOLSY-GOSISDBHSA-N 0 0 459.331 4.349 20 0 JIADRN CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1 ZINC001356057188 1067646316 /nfs/dbraw/zinc/64/63/16/1067646316.db2.gz AYNGVNWRWWNXPH-WIYYLYMNSA-N 0 0 459.384 4.200 20 0 JIADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)Cc1ccccc1Br ZINC001356055283 1067646381 /nfs/dbraw/zinc/64/63/81/1067646381.db2.gz CYXMAUGZZQEWQU-PNLZDCPESA-N 0 0 457.412 4.496 20 0 JIADRN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001200109929 1067646298 /nfs/dbraw/zinc/64/62/98/1067646298.db2.gz UPWZSSYMBOMOIG-UHFFFAOYSA-N 0 0 478.039 4.257 20 0 JIADRN Cc1nc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)sc1Cc1ccc(F)cc1 ZINC001356058419 1067647008 /nfs/dbraw/zinc/64/70/08/1067647008.db2.gz DRBLFUAGTWRMLQ-UHFFFAOYSA-N 0 0 454.449 4.108 20 0 JIADRN CC[C@@H](Cc1ccccc1Br)NC(=O)CCCNC(=O)c1ccc(F)cc1F ZINC001356057839 1067647147 /nfs/dbraw/zinc/64/71/47/1067647147.db2.gz HPEFFQOYZWBFQQ-INIZCTEOSA-N 0 0 453.327 4.375 20 0 JIADRN CC[C@@H](Cc1ccccc1Br)NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC001356058418 1067647263 /nfs/dbraw/zinc/64/72/63/1067647263.db2.gz LVLUIYCHXCANSP-MJGOQNOKSA-N 0 0 452.437 4.354 20 0 JIADRN COCCn1ncc2ccc(NC(=O)c3cnc(Nc4ccccc4)nc3C(F)(F)F)cc21 ZINC001356059630 1067647515 /nfs/dbraw/zinc/64/75/15/1067647515.db2.gz GCFHTXXVHACZNH-UHFFFAOYSA-N 0 0 456.428 4.487 20 0 JIADRN CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(Br)ccc1Br ZINC001356065218 1067649202 /nfs/dbraw/zinc/64/92/02/1067649202.db2.gz CIZIEITUIURIKG-UHFFFAOYSA-N 0 0 454.162 4.241 20 0 JIADRN COC(=O)N1CCC(C(=O)Nc2nc(C)c(Cc3cccc(Br)c3)s2)CC1 ZINC001356067989 1067649558 /nfs/dbraw/zinc/64/95/58/1067649558.db2.gz GVOUVWDIRWYIOT-UHFFFAOYSA-N 0 0 452.374 4.222 20 0 JIADRN COC(=O)COc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)c2cccnc12 ZINC001356067444 1067649619 /nfs/dbraw/zinc/64/96/19/1067649619.db2.gz APAZUQXMTYWGFJ-UHFFFAOYSA-N 0 0 450.882 4.093 20 0 JIADRN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(OCc3ccccc3F)cc1)C2=O ZINC001356078568 1067652242 /nfs/dbraw/zinc/65/22/42/1067652242.db2.gz BXMOSPASHNQPDH-MSQBMUPWSA-N 0 0 453.514 4.090 20 0 JIADRN CCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)[C@]3(C)Oc4ccccc4NC3=O)ccc21 ZINC001356083962 1067653013 /nfs/dbraw/zinc/65/30/13/1067653013.db2.gz BJNKAIGMUTYPCT-RUZDIDTESA-N 0 0 450.491 4.232 20 0 JIADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1cnn(C(C)C)c1I ZINC001352724690 1067653464 /nfs/dbraw/zinc/65/34/64/1067653464.db2.gz ZXGRBLMIXFBTNC-MRXNPFEDSA-N 0 0 453.324 4.445 20 0 JIADRN C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O ZINC001473006519 1067654019 /nfs/dbraw/zinc/65/40/19/1067654019.db2.gz RZRWCVQKSITDJD-SFHVURJKSA-N 0 0 459.674 4.227 20 0 JIADRN COc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCc2sc(C)nc2C)cc1OC ZINC001300093787 1067654134 /nfs/dbraw/zinc/65/41/34/1067654134.db2.gz ANVODODVYOJWKK-IBGZPJMESA-N 0 0 498.653 4.091 20 0 JIADRN COc1ccc([C@@H]2CCCN2c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)OC)cc1 ZINC001300094355 1067656437 /nfs/dbraw/zinc/65/64/37/1067656437.db2.gz KQMKHZBPGVPBES-KXBFYZLASA-N 0 0 474.403 4.431 20 0 JIADRN CCN(C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001356092116 1067657434 /nfs/dbraw/zinc/65/74/34/1067657434.db2.gz VTNFOLKOUHONCD-RBUKOAKNSA-N 0 0 459.608 4.254 20 0 JIADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N3CC[C@@](C)(C(=O)OC(C)(C)C)C3)ccc21 ZINC001200113646 1067657500 /nfs/dbraw/zinc/65/75/00/1067657500.db2.gz QVMMLYFKFLECLZ-RUZDIDTESA-N 0 0 456.587 4.095 20 0 JIADRN CCc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)nnn1-c1cccc(Cl)c1 ZINC001356092959 1067658158 /nfs/dbraw/zinc/65/81/58/1067658158.db2.gz AZTBJNNOUMPXCN-UHFFFAOYSA-N 0 0 451.836 4.028 20 0 JIADRN O=C(Nc1nc2c(s1)CCC2)c1csc(I)c1Br ZINC001356094658 1067658938 /nfs/dbraw/zinc/65/89/38/1067658938.db2.gz ZDFLRYAPUAHWDQ-UHFFFAOYSA-N 0 0 455.140 4.313 20 0 JIADRN Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001352732532 1067659444 /nfs/dbraw/zinc/65/94/44/1067659444.db2.gz AAQOQQSPUMARMW-UHFFFAOYSA-N 0 0 452.532 4.061 20 0 JIADRN O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1nccn2c(Br)cnc12 ZINC001352732887 1067660836 /nfs/dbraw/zinc/66/08/36/1067660836.db2.gz HHWRLLHYOJHIJJ-UHFFFAOYSA-N 0 0 451.280 4.101 20 0 JIADRN O=C(Oc1c(Br)cccc1Br)c1cn(Cc2cccc(F)c2)nn1 ZINC001356106562 1067661308 /nfs/dbraw/zinc/66/13/08/1067661308.db2.gz XQKMYAQLCJGEFN-UHFFFAOYSA-N 0 0 455.081 4.210 20 0 JIADRN COc1ccc(C2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCCCSC)CC2)cc1 ZINC001300096779 1067661968 /nfs/dbraw/zinc/66/19/68/1067661968.db2.gz MYHQCSSSLFEYGO-NRFANRHFSA-N 0 0 492.711 4.106 20 0 JIADRN Cc1ccc(NC(=O)COc2ccc(CCNC(=O)[C@@H]3CC[C@H]3C(=O)OC(C)(C)C)cc2)cc1 ZINC001356111708 1067662661 /nfs/dbraw/zinc/66/26/61/1067662661.db2.gz JGJRTNNFPNTQML-DHIUTWEWSA-N 0 0 466.578 4.039 20 0 JIADRN COc1cccc(C2(C(=O)NCCc3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)CC2)c1 ZINC001356113131 1067663282 /nfs/dbraw/zinc/66/32/82/1067663282.db2.gz WVNHNLXNQUJCPA-UHFFFAOYSA-N 0 0 458.558 4.412 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)/C=C\c3cccnc3C)n2)cc1 ZINC001356113693 1067663344 /nfs/dbraw/zinc/66/33/44/1067663344.db2.gz LOZVTBTXPAIXBM-RAXLEYEMSA-N 0 0 456.593 4.196 20 0 JIADRN COc1ccc(C2CCN(c3nnc(C4CC4)n3CCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001300097550 1067664560 /nfs/dbraw/zinc/66/45/60/1067664560.db2.gz WRGXLTWVLVNOBA-UHFFFAOYSA-N 0 0 455.603 4.463 20 0 JIADRN COc1ccc([C@@H]2CCCN2c2nnc(Cc3csc(C)n3)n2CCC(C)(C)O)c(OC)c1 ZINC001300097954 1067665118 /nfs/dbraw/zinc/66/51/18/1067665118.db2.gz FDDJOFOFVSDWAR-FQEVSTJZSA-N 0 0 471.627 4.154 20 0 JIADRN COc1ccc([C@H]2CCCN2c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCC(C)C)cc1OC ZINC001300097946 1067665241 /nfs/dbraw/zinc/66/52/41/1067665241.db2.gz DZEVCYSAQMHYTB-QFQXNSOFSA-N 0 0 482.629 4.225 20 0 JIADRN COc1ccc([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)C(F)(F)F)C2)cc1 ZINC001300098198 1067665690 /nfs/dbraw/zinc/66/56/90/1067665690.db2.gz HWTXIBGUOCVJGW-KRWDZBQOSA-N 0 0 465.520 4.105 20 0 JIADRN CCCCc1ccc(N2C[C@@H](C(=O)NCC(C)(C)c3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC001356125173 1067665832 /nfs/dbraw/zinc/66/58/32/1067665832.db2.gz BBSBEWYERGCPBN-FQEVSTJZSA-N 0 0 450.579 4.247 20 0 JIADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)c1 ZINC001356123055 1067665981 /nfs/dbraw/zinc/66/59/81/1067665981.db2.gz GHSCAMAXGGXXED-UHFFFAOYSA-N 0 0 458.301 4.253 20 0 JIADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1cc(Br)ccc1F ZINC001473011620 1067667063 /nfs/dbraw/zinc/66/70/63/1067667063.db2.gz CLFCLXCIQFVTDR-UHFFFAOYSA-N 0 0 458.305 4.355 20 0 JIADRN Cc1nc2cccc(Cl)c2cc1C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC001356129439 1067667119 /nfs/dbraw/zinc/66/71/19/1067667119.db2.gz QIKJXTZKOGUWGV-UHFFFAOYSA-N 0 0 458.345 4.213 20 0 JIADRN COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[C@H]2COCCO2)cc1OC ZINC001300098892 1067667466 /nfs/dbraw/zinc/66/74/66/1067667466.db2.gz SHZJGBKJEQMTHE-PMACEKPBSA-N 0 0 458.603 4.031 20 0 JIADRN COc1ccc([C@H]2CCCN2c2nnc(Cc3cccnc3)n2CCCSC)c(OC)c1 ZINC001300098809 1067667837 /nfs/dbraw/zinc/66/78/37/1067667837.db2.gz QVNSXYDHHKCAPO-OAQYLSRUSA-N 0 0 453.612 4.376 20 0 JIADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC001356129860 1067667956 /nfs/dbraw/zinc/66/79/56/1067667956.db2.gz UKSFIAQUSWRSGD-LJQANCHMSA-N 0 0 458.986 4.289 20 0 JIADRN COc1ccc([C@@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3CCSC(C)C)C2)cc1 ZINC001300099057 1067668873 /nfs/dbraw/zinc/66/88/73/1067668873.db2.gz AWWNEZHGVJAIQL-LJQANCHMSA-N 0 0 485.679 4.414 20 0 JIADRN COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2)cc1 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DBPJPSUZYSCRLH-UHFFFAOYSA-N 0 0 457.962 4.446 20 0 JIADRN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(-n2cc(Br)cn2)nn1 ZINC001357490379 1067858354 /nfs/dbraw/zinc/85/83/54/1067858354.db2.gz WTIZCXVFXLCQGQ-CYBMUJFWSA-N 0 0 450.749 4.045 20 0 JIADRN Cc1noc(COc2ccc(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)cn2)n1 ZINC001357492428 1067858709 /nfs/dbraw/zinc/85/87/09/1067858709.db2.gz NDJDELBQVPHGBK-UHFFFAOYSA-N 0 0 454.380 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)c(OC)n1 ZINC001300193233 1067859046 /nfs/dbraw/zinc/85/90/46/1067859046.db2.gz LHBSVFBGTWNMRD-CRAIPNDOSA-N 0 0 456.978 4.469 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1 ZINC001357494305 1067859059 /nfs/dbraw/zinc/85/90/59/1067859059.db2.gz BONOPZGFTQVYSG-IAGOWNOFSA-N 0 0 456.461 4.380 20 0 JIADRN Cc1c(C(=O)Nc2c(Br)cc(F)cc2Br)nnn1-c1ccccc1 ZINC001357494801 1067859096 /nfs/dbraw/zinc/85/90/96/1067859096.db2.gz PXAGYAIVWNPJEW-UHFFFAOYSA-N 0 0 454.097 4.492 20 0 JIADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O[C@@H]3c4ccccc4OC[C@H]3C)CC2)c(C)c1 ZINC001357496165 1067859467 /nfs/dbraw/zinc/85/94/67/1067859467.db2.gz WJRRAUHXOZYVEX-XXBNENTESA-N 0 0 457.592 4.326 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC001353090567 1067859754 /nfs/dbraw/zinc/85/97/54/1067859754.db2.gz GGOBPFCWCXUMEN-XZOQPEGZSA-N 0 0 459.631 4.040 20 0 JIADRN Cc1ccn(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c(=NC2CCCCC2)c1 ZINC001357501867 1067860161 /nfs/dbraw/zinc/86/01/61/1067860161.db2.gz YXFXBSGRTWGRLB-QGZVFWFLSA-N 0 0 456.384 4.486 20 0 JIADRN Cc1c(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)nnn1CCOc1ccc(F)cc1 ZINC001357504806 1067860417 /nfs/dbraw/zinc/86/04/17/1067860417.db2.gz BYSPVBRGMGYIOQ-FQEVSTJZSA-N 0 0 454.399 4.151 20 0 JIADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2cn(-c3ccccc3)cn2)CC1 ZINC001357502655 1067860475 /nfs/dbraw/zinc/86/04/75/1067860475.db2.gz DFBHLLLIIZBYOO-UHFFFAOYSA-N 0 0 453.340 4.126 20 0 JIADRN CC(C)COc1ccc(C(C)(C)CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 ZINC001353094479 1067861156 /nfs/dbraw/zinc/86/11/56/1067861156.db2.gz HKFZUYCPOLXPGU-GOSISDBHSA-N 0 0 458.624 4.140 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1O ZINC001300194765 1067861164 /nfs/dbraw/zinc/86/11/64/1067861164.db2.gz WPLUYEHOGUGQGL-SFHVURJKSA-N 0 0 483.569 4.103 20 0 JIADRN C[C@@H](COCC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)c1ccccc1 ZINC001357512025 1067861801 /nfs/dbraw/zinc/86/18/01/1067861801.db2.gz KTFPBQQLINRPTI-KRWDZBQOSA-N 0 0 459.384 4.447 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@H](C)[C@H]2C)c(OC)n1 ZINC001300195421 1067862584 /nfs/dbraw/zinc/86/25/84/1067862584.db2.gz AUCJIUJSRQLRCR-QZTJIDSGSA-N 0 0 481.597 4.436 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)n3ccccc3=NC3CCCCC3)CC2)c(C)c1 ZINC001353098575 1067862605 /nfs/dbraw/zinc/86/26/05/1067862605.db2.gz KDCXIUQAXINGCE-UHFFFAOYSA-N 0 0 455.624 4.079 20 0 JIADRN CCCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001357512927 1067862582 /nfs/dbraw/zinc/86/25/82/1067862582.db2.gz ZOBMLGYCJFKRHB-RPBOFIJWSA-N 0 0 456.652 4.108 20 0 JIADRN CCOC(=O)c1nc2c(s1)CCN(C(=S)Nc1c(C)cc(Br)cc1C)CC2 ZINC001200221769 1067863214 /nfs/dbraw/zinc/86/32/14/1067863214.db2.gz HGJDEIHOLIEFQZ-UHFFFAOYSA-N 0 0 468.442 4.497 20 0 JIADRN CCOC(=O)c1cc2n(n1)CCCN(C(=S)Nc1c(C)cc(Br)cc1C)C2 ZINC001200221787 1067863221 /nfs/dbraw/zinc/86/32/21/1067863221.db2.gz HQSABRSBPWVHOJ-UHFFFAOYSA-N 0 0 451.390 4.042 20 0 JIADRN Cc1c([C@@H](C)NC(=O)c2cc3cc(Br)cnc3n2C)cnn1-c1ccc(F)cc1 ZINC001357522595 1067864001 /nfs/dbraw/zinc/86/40/01/1067864001.db2.gz MALZENPFRQOKGW-GFCCVEGCSA-N 0 0 456.319 4.460 20 0 JIADRN CC(C)n1nnnc1-c1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1F ZINC001357520235 1067864055 /nfs/dbraw/zinc/86/40/55/1067864055.db2.gz XTEYTAXCARITGX-UHFFFAOYSA-N 0 0 452.515 4.277 20 0 JIADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC001357522765 1067864364 /nfs/dbraw/zinc/86/43/64/1067864364.db2.gz DDTRAJPEZRPSIH-UHFFFAOYSA-N 0 0 453.564 4.437 20 0 JIADRN Cc1cc(Br)cc(C)c1NC(=S)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC001200222030 1067864426 /nfs/dbraw/zinc/86/44/26/1067864426.db2.gz OKOCUKLLEPQAET-SFHVURJKSA-N 0 0 480.472 4.114 20 0 JIADRN Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 ZINC001200222205 1067864466 /nfs/dbraw/zinc/86/44/66/1067864466.db2.gz QAVHTYWEDWIIQL-GUDVDZBRSA-N 0 0 492.439 4.294 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(OC)n1 ZINC001300196262 1067864692 /nfs/dbraw/zinc/86/46/92/1067864692.db2.gz JHPIEMMOZHRBDW-OAHLLOKOSA-N 0 0 456.978 4.326 20 0 JIADRN Cc1cc(Br)cc(C)c1NC(=S)N1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001200222593 1067865684 /nfs/dbraw/zinc/86/56/84/1067865684.db2.gz UAWOOWUPNNYZCE-UHFFFAOYSA-N 0 0 451.434 4.427 20 0 JIADRN CCCOc1cc(OC)ccc1C(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC001357528909 1067865738 /nfs/dbraw/zinc/86/57/38/1067865738.db2.gz HWFAXTHYFIXVIL-GOSISDBHSA-N 0 0 450.329 4.281 20 0 JIADRN Cc1cccc(F)c1-n1nc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c2c1CCC2 ZINC001357529543 1067866046 /nfs/dbraw/zinc/86/60/46/1067866046.db2.gz ZSZUSUQQPKLSHS-UHFFFAOYSA-N 0 0 456.562 4.185 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)c(OC)n1 ZINC001300196896 1067866506 /nfs/dbraw/zinc/86/65/06/1067866506.db2.gz WHOJOWZUBHFGMW-WOJBJXKFSA-N 0 0 495.624 4.444 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001300196900 1067866540 /nfs/dbraw/zinc/86/65/40/1067866540.db2.gz WHXKKVPBJMAOMB-SUMWQHHRSA-N 0 0 467.879 4.206 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC001300196972 1067866778 /nfs/dbraw/zinc/86/67/78/1067866778.db2.gz ACUQHKHMOOMRCI-MRXNPFEDSA-N 0 0 452.584 4.046 20 0 JIADRN Cc1cc(I)cc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)c1 ZINC001353105748 1067867431 /nfs/dbraw/zinc/86/74/31/1067867431.db2.gz ICPVMOVZFVWFOO-HNNXBMFYSA-N 0 0 450.320 4.245 20 0 JIADRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC001357547811 1067868026 /nfs/dbraw/zinc/86/80/26/1067868026.db2.gz KNNDMPNFIZEYOR-FQEVSTJZSA-N 0 0 457.592 4.032 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(F)(F)CC2)cc1Br ZINC001300198570 1067868597 /nfs/dbraw/zinc/86/85/97/1067868597.db2.gz JSSWMNKQDKXCJZ-UHFFFAOYSA-N 0 0 464.314 4.395 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(OC)c(OC)cc2SC)cn1 ZINC001300198895 1067869207 /nfs/dbraw/zinc/86/92/07/1067869207.db2.gz REIHEISRDJUNQL-UHFFFAOYSA-N 0 0 480.594 4.101 20 0 JIADRN COc1cc(C(N)=O)c(NC(=S)Nc2c(C)cc(Br)cc2C)c(F)c1OC ZINC001200225643 1067869503 /nfs/dbraw/zinc/86/95/03/1067869503.db2.gz ACMCDNMRAOIZIG-UHFFFAOYSA-N 0 0 456.337 4.130 20 0 JIADRN COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccsc2)c(C(F)(F)F)c1 ZINC001300199287 1067869719 /nfs/dbraw/zinc/86/97/19/1067869719.db2.gz BEXLLSQDWDNXBS-UHFFFAOYSA-N 0 0 462.501 4.452 20 0 JIADRN CC(C)n1ncc(C(=O)N[C@@H](c2nccs2)c2ccccc2)c1I ZINC001353117685 1067869734 /nfs/dbraw/zinc/86/97/34/1067869734.db2.gz VVLNMUPDDPGAGD-CQSZACIVSA-N 0 0 452.321 4.045 20 0 JIADRN CC(C)n1ncc(C(=O)N[C@H](c2nccs2)c2ccccc2)c1I ZINC001353117684 1067869810 /nfs/dbraw/zinc/86/98/10/1067869810.db2.gz VVLNMUPDDPGAGD-AWEZNQCLSA-N 0 0 452.321 4.045 20 0 JIADRN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001353118187 1067870054 /nfs/dbraw/zinc/87/00/54/1067870054.db2.gz SJGWAWSQGUZRPF-UHFFFAOYSA-N 0 0 455.308 4.224 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001492557300 1067870978 /nfs/dbraw/zinc/87/09/78/1067870978.db2.gz GIUZHPOWSVBFLF-NRFANRHFSA-N 0 0 490.986 4.294 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1CCCN1CCCCC1=O ZINC001492557418 1067871285 /nfs/dbraw/zinc/87/12/85/1067871285.db2.gz KFGHUJKYIDRMIP-IBGZPJMESA-N 0 0 452.628 4.353 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)Cc2ccc(Br)o2)n1CC(C)(C)N1CCOCC1 ZINC001492557336 1067871321 /nfs/dbraw/zinc/87/13/21/1067871321.db2.gz HCOQQOPPHYHVQB-UHFFFAOYSA-N 0 0 488.430 4.356 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1Br ZINC001300200315 1067871337 /nfs/dbraw/zinc/87/13/37/1067871337.db2.gz ZGXDYTPFMFEUEY-UHFFFAOYSA-N 0 0 474.403 4.486 20 0 JIADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC001353124005 1067871509 /nfs/dbraw/zinc/87/15/09/1067871509.db2.gz GRTVEKVXIOOGSN-MOPGFXCFSA-N 0 0 455.511 4.024 20 0 JIADRN CCOC(=O)N1[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC[C@H]1c1ccc(C)o1 ZINC001353124009 1067871574 /nfs/dbraw/zinc/87/15/74/1067871574.db2.gz GRTVEKVXIOOGSN-RBUKOAKNSA-N 0 0 455.511 4.024 20 0 JIADRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC001357568000 1067871789 /nfs/dbraw/zinc/87/17/89/1067871789.db2.gz SGSLQCVVLIHILP-UHFFFAOYSA-N 0 0 458.511 4.075 20 0 JIADRN CCCNC(=O)c1ccc(NC(=O)Cc2ccccc2I)cc1Cl ZINC001357572833 1067872237 /nfs/dbraw/zinc/87/22/37/1067872237.db2.gz WVOGOMSDHBXYKC-UHFFFAOYSA-N 0 0 456.711 4.266 20 0 JIADRN COc1ccc(Cn2nnc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)c2C)cc1 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COc1cc(NC(=S)N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c(OC)cc1Cl ZINC001200535182 1068846289 /nfs/dbraw/zinc/84/62/89/1068846289.db2.gz LKTKBTXTHJFCHH-BXKMTCNYSA-N 0 0 490.025 4.108 20 0 JIADRN COc1cc(NC(=S)N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)c(OC)cc1Cl ZINC001200535547 1068847894 /nfs/dbraw/zinc/84/78/94/1068847894.db2.gz QTQJCXYVHMPUNR-QFIPXVFZSA-N 0 0 495.070 4.334 20 0 JIADRN COc1cc(NC(=S)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)c(OC)cc1Cl ZINC001200536181 1068849472 /nfs/dbraw/zinc/84/94/72/1068849472.db2.gz UZCGRWZIFZBEIK-FQEVSTJZSA-N 0 0 483.972 4.082 20 0 JIADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cccnc2Br)c1 ZINC001354034068 1068851102 /nfs/dbraw/zinc/85/11/02/1068851102.db2.gz SJCISXAKGICJGH-UHFFFAOYSA-N 0 0 452.374 4.050 20 0 JIADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 ZINC001354034081 1068851474 /nfs/dbraw/zinc/85/14/74/1068851474.db2.gz TXCRNMSSHUITSP-UHFFFAOYSA-N 0 0 455.580 4.241 20 0 JIADRN Cc1cc(Cl)cc2c1N(C(=O)c1cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn1)CCC2 ZINC001354035662 1068852569 /nfs/dbraw/zinc/85/25/69/1068852569.db2.gz FPSLEFVANZAFPE-GOSISDBHSA-N 0 0 459.978 4.405 20 0 JIADRN CCOC[C@H]1CN(C(=S)Nc2cc(OC)c(Cl)cc2OC)Cc2ncn(CC3CC3)c21 ZINC001200538800 1068852710 /nfs/dbraw/zinc/85/27/10/1068852710.db2.gz WSLNKDDFTZWLCC-OAHLLOKOSA-N 0 0 465.019 4.296 20 0 JIADRN CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1C(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200539411 1068853535 /nfs/dbraw/zinc/85/35/35/1068853535.db2.gz GKATUBFUZHCJAJ-HXUWFJFHSA-N 0 0 464.971 4.225 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CCCOC(C)C ZINC001300490497 1068854250 /nfs/dbraw/zinc/85/42/50/1068854250.db2.gz HMOVBYTZYBMTAP-UHFFFAOYSA-N 0 0 487.004 4.260 20 0 JIADRN COc1cc(NC(=S)N2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)c(OC)cc1Cl ZINC001200539829 1068854280 /nfs/dbraw/zinc/85/42/80/1068854280.db2.gz JECXRBQOLQYGBZ-UHFFFAOYSA-N 0 0 469.028 4.337 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1ncccc1C ZINC001300490590 1068854531 /nfs/dbraw/zinc/85/45/31/1068854531.db2.gz ISTUVARXOSBDOK-UHFFFAOYSA-N 0 0 478.597 4.199 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(OC3CCCC3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001300490758 1068854869 /nfs/dbraw/zinc/85/48/69/1068854869.db2.gz JJWIWZZQIITJEN-MGBGTMOVSA-N 0 0 474.671 4.429 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001300490727 1068854914 /nfs/dbraw/zinc/85/49/14/1068854914.db2.gz HKHVMTOZANOIIM-IBGZPJMESA-N 0 0 487.670 4.448 20 0 JIADRN COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001300490967 1068855236 /nfs/dbraw/zinc/85/52/36/1068855236.db2.gz LHUIPKFHECKEQJ-LJQANCHMSA-N 0 0 492.624 4.430 20 0 JIADRN COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001300490809 1068855261 /nfs/dbraw/zinc/85/52/61/1068855261.db2.gz KDUQATFNEKMYFG-UFYCRDLUSA-N 0 0 485.629 4.262 20 0 JIADRN CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)N2CCc3sccc3C2)cc1 ZINC001354040148 1068857393 /nfs/dbraw/zinc/85/73/93/1068857393.db2.gz VMEXOPADGJHIFC-GOTSBHOMSA-N 0 0 453.652 4.487 20 0 JIADRN O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000503830131 1068859639 /nfs/dbraw/zinc/85/96/39/1068859639.db2.gz PCIQYTJKTOKZLY-UHFFFAOYSA-N 0 0 481.965 4.227 20 0 JIADRN COc1cc(NC(=S)Nc2cc(CO)ccc2I)c(OC)cc1Cl ZINC001200542958 1068859962 /nfs/dbraw/zinc/85/99/62/1068859962.db2.gz OOKYMMAVIDBDDI-UHFFFAOYSA-N 0 0 478.739 4.263 20 0 JIADRN COC(=O)c1ccc(CN2CCN(C(=S)Nc3cc(OC)c(Cl)cc3OC)[C@H](C)C2)cc1 ZINC001200543118 1068860411 /nfs/dbraw/zinc/86/04/11/1068860411.db2.gz VWIXRYACLMLJRA-OAHLLOKOSA-N 0 0 478.014 4.047 20 0 JIADRN CCOC(=O)CN(C(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(F)cn1 ZINC001354044346 1068860684 /nfs/dbraw/zinc/86/06/84/1068860684.db2.gz MWDAHPSUWDHFSV-UHFFFAOYSA-N 0 0 450.557 4.065 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H](OC)C1CC1 ZINC001300494016 1068861640 /nfs/dbraw/zinc/86/16/40/1068861640.db2.gz ZWANTCPUOYYCDK-QFIPXVFZSA-N 0 0 485.629 4.120 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001300494373 1068862452 /nfs/dbraw/zinc/86/24/52/1068862452.db2.gz OKEDQXYOXYZBRI-AWEZNQCLSA-N 0 0 497.472 4.356 20 0 JIADRN COc1cc(NC(=S)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(OC)cc1Cl ZINC001200544102 1068862831 /nfs/dbraw/zinc/86/28/31/1068862831.db2.gz NFKPXTWOMAJYCW-QGZVFWFLSA-N 0 0 456.008 4.433 20 0 JIADRN COc1cc(NC(=S)NC2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(OC)cc1Cl ZINC001200544108 1068862838 /nfs/dbraw/zinc/86/28/38/1068862838.db2.gz NKOXLHRLLXGGTQ-UHFFFAOYSA-N 0 0 456.008 4.433 20 0 JIADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N(c2cccc(F)c2)C2CCOCC2)C1 ZINC001354046167 1068864221 /nfs/dbraw/zinc/86/42/21/1068864221.db2.gz OQSDDGRNRWUZGL-FQEVSTJZSA-N 0 0 454.542 4.045 20 0 JIADRN COc1cc(NC(=S)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c(OC)cc1Cl ZINC001200546073 1068865288 /nfs/dbraw/zinc/86/52/88/1068865288.db2.gz BRQBDMYHVHPKIH-OAHLLOKOSA-N 0 0 465.950 4.288 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccc(C)n1 ZINC001300498918 1068867290 /nfs/dbraw/zinc/86/72/90/1068867290.db2.gz QBJSCASPZKDDCK-OAQYLSRUSA-N 0 0 492.624 4.393 20 0 JIADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1 ZINC001300499056 1068867329 /nfs/dbraw/zinc/86/73/29/1068867329.db2.gz YOWAXVGJZSNKPB-VQTJNVASSA-N 0 0 457.537 4.215 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001300500060 1068868499 /nfs/dbraw/zinc/86/84/99/1068868499.db2.gz XFTPKIPQUUXLET-BHDDXSALSA-N 0 0 483.657 4.148 20 0 JIADRN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cnn(Cc2ccccc2)c1Cl ZINC001354055269 1068869253 /nfs/dbraw/zinc/86/92/53/1068869253.db2.gz QCCLURCAHAMVEM-OAQYLSRUSA-N 0 0 459.377 4.042 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCOC(C)(C)C ZINC001300500368 1068869262 /nfs/dbraw/zinc/86/92/62/1068869262.db2.gz CATMTQMZIPDFDK-MRXNPFEDSA-N 0 0 456.509 4.317 20 0 JIADRN Cc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c(Br)c1 ZINC001354055586 1068869661 /nfs/dbraw/zinc/86/96/61/1068869661.db2.gz RRCYBORZWSZUHG-FQEVSTJZSA-N 0 0 451.792 4.143 20 0 JIADRN COC(=O)[C@@H](NC(=S)Nc1cc(OC)c(Cl)cc1OC)c1ccc(Br)cc1 ZINC001200548998 1068869736 /nfs/dbraw/zinc/86/97/36/1068869736.db2.gz BBGIGKUNKGYXBG-INIZCTEOSA-N 0 0 473.776 4.320 20 0 JIADRN Cc1ccc(COc2cccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)c2)cc1 ZINC001200550215 1068870588 /nfs/dbraw/zinc/87/05/88/1068870588.db2.gz WOYQNGRTACIUDQ-FGZHOGPDSA-N 0 0 455.555 4.066 20 0 JIADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)/C=C/c3scnc3C)cc2)c1C(F)(F)F ZINC001354057631 1068871523 /nfs/dbraw/zinc/87/15/23/1068871523.db2.gz LPUOZRYXJLCTDH-CMDGGOBGSA-N 0 0 450.442 4.485 20 0 JIADRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nn(C)cc1Br ZINC001354061039 1068872283 /nfs/dbraw/zinc/87/22/83/1068872283.db2.gz XZPPMNICFGBVCO-VXGBXAGGSA-N 0 0 453.768 4.491 20 0 JIADRN C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1cccc(OC(F)F)c1 ZINC001354063631 1068872606 /nfs/dbraw/zinc/87/26/06/1068872606.db2.gz OYBKOHHPTIKBBF-YWZLYKJASA-N 0 0 459.493 4.442 20 0 JIADRN O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001300505038 1068874933 /nfs/dbraw/zinc/87/49/33/1068874933.db2.gz SQPDLRRXFKTUIX-DTKKNGCVSA-N 0 0 454.592 4.098 20 0 JIADRN COc1cc(NC(=S)N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(OC)cc1Cl ZINC001200552644 1068875086 /nfs/dbraw/zinc/87/50/86/1068875086.db2.gz FNQGVVZNCROUHF-UMVBOHGHSA-N 0 0 453.992 4.065 20 0 JIADRN O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001300505039 1068875474 /nfs/dbraw/zinc/87/54/74/1068875474.db2.gz SQPDLRRXFKTUIX-REEUPSRWSA-N 0 0 454.592 4.098 20 0 JIADRN COc1ccccc1-c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCCCSC ZINC001300505299 1068875947 /nfs/dbraw/zinc/87/59/47/1068875947.db2.gz DSAALOZMJDUWFZ-UHFFFAOYSA-N 0 0 475.659 4.402 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001300505597 1068876998 /nfs/dbraw/zinc/87/69/98/1068876998.db2.gz KKUDDKGQILWYLR-SBHAEUEKSA-N 0 0 485.629 4.214 20 0 JIADRN COc1ccc([C@H]2[C@H](C(=O)Nc3ncc(Cc4ccccc4F)s3)CCC(=O)N2C)cc1 ZINC001354068692 1068877554 /nfs/dbraw/zinc/87/75/54/1068877554.db2.gz OCOWAWWGMBWBSK-KNQAVFIVSA-N 0 0 453.539 4.430 20 0 JIADRN CCOc1ccc(-n2c(SCC(=O)N(CC)CC(F)(F)F)nnc2-c2ccco2)cc1 ZINC001354069873 1068878097 /nfs/dbraw/zinc/87/80/97/1068878097.db2.gz NBLIKMKVIVIOSA-UHFFFAOYSA-N 0 0 454.474 4.429 20 0 JIADRN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001354071995 1068878761 /nfs/dbraw/zinc/87/87/61/1068878761.db2.gz FFVUAVYMSQJRHX-CQSZACIVSA-N 0 0 456.392 4.487 20 0 JIADRN COc1ccccc1-c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCCCCSC ZINC001300506522 1068879264 /nfs/dbraw/zinc/87/92/64/1068879264.db2.gz CKCFLJCMQMWWSA-UHFFFAOYSA-N 0 0 469.611 4.042 20 0 JIADRN C=Cc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](NC(=O)CCC)C2)cc1 ZINC001359170499 1068881546 /nfs/dbraw/zinc/88/15/46/1068881546.db2.gz SCKQZISADYQSEU-QHCPKHFHSA-N 0 0 458.610 4.419 20 0 JIADRN CCCN(Cc1ccccc1Br)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000503890773 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CC(C)(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCn1cc(Br)cn1 ZINC001359532741 1069825216 /nfs/dbraw/zinc/82/52/16/1069825216.db2.gz ATPVWZJLQJPLTC-UHFFFAOYSA-N 0 0 479.373 4.367 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2nccn2C1 ZINC001359535226 1069828591 /nfs/dbraw/zinc/82/85/91/1069828591.db2.gz MVINQTJNKLVRDD-PMACEKPBSA-N 0 0 485.677 4.067 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)n1CC[S@](=O)C(C)(C)C ZINC001359534254 1069827310 /nfs/dbraw/zinc/82/73/10/1069827310.db2.gz QXAFSPJFAPXVCJ-IAQAZVPISA-N 0 0 462.664 4.058 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@H](n3cncn3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359535310 1069828966 /nfs/dbraw/zinc/82/89/66/1069828966.db2.gz OPIQBCLEMNURGQ-FQEVSTJZSA-N 0 0 465.650 4.020 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC1CC2(C1)CCOCC2 ZINC001359535534 1069829626 /nfs/dbraw/zinc/82/96/26/1069829626.db2.gz TVRFCPZDZOUQDJ-FQEVSTJZSA-N 0 0 473.706 4.452 20 0 JIADRN 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ZINC001359538652 1069834670 /nfs/dbraw/zinc/83/46/70/1069834670.db2.gz ZIGRMQQTDUEOPN-UHFFFAOYSA-N 0 0 459.038 4.101 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCN(c3cnccn3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359539705 1069836701 /nfs/dbraw/zinc/83/67/01/1069836701.db2.gz SASQOMIGPQCUSV-SJORKVTESA-N 0 0 451.541 4.277 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001359542192 1069840478 /nfs/dbraw/zinc/84/04/78/1069840478.db2.gz RUEXVHMYEUDATL-LJQANCHMSA-N 0 0 480.579 4.458 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001359542762 1069841305 /nfs/dbraw/zinc/84/13/05/1069841305.db2.gz HQLAGATXAAWLHW-LJQANCHMSA-N 0 0 496.681 4.346 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001359543298 1069841633 /nfs/dbraw/zinc/84/16/33/1069841633.db2.gz VZQHOCRFRVOOQH-AUSIDOKSSA-N 0 0 478.515 4.488 20 0 JIADRN CC(C)(C)Cc1nnc(N2CCOC3(CCOCC3)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001359543200 1069841777 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471.499 4.333 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359550814 1069859779 /nfs/dbraw/zinc/85/97/79/1069859779.db2.gz PHFNFDDDDKFYDQ-IBGZPJMESA-N 0 0 489.064 4.034 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359550738 1069859805 /nfs/dbraw/zinc/85/98/05/1069859805.db2.gz NENDPXJSHAGMRY-OAQYLSRUSA-N 0 0 464.614 4.049 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001359552056 1069861452 /nfs/dbraw/zinc/86/14/52/1069861452.db2.gz BSABCOIXNRKASB-IERDGZPVSA-N 0 0 456.462 4.336 20 0 JIADRN CC(C)(C)NC(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001359552437 1069861815 /nfs/dbraw/zinc/86/18/15/1069861815.db2.gz PFEZJRKDZLTGKM-SFTDATJTSA-N 0 0 453.631 4.221 20 0 JIADRN CC(C)(C)OC(=O)N(CCn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1C(C)(C)C)C1CC1 ZINC001359554867 1069867147 /nfs/dbraw/zinc/86/71/47/1069867147.db2.gz YUTWNVRQYDIOBJ-LJQANCHMSA-N 0 0 470.618 4.028 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001359553843 1069863840 /nfs/dbraw/zinc/86/38/40/1069863840.db2.gz PSGCCXWGCMKFMM-UHFFFAOYSA-N 0 0 497.594 4.054 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCOC2)C1 ZINC001359553869 1069863990 /nfs/dbraw/zinc/86/39/90/1069863990.db2.gz QZVCYXQYXCUXLZ-MSOLQXFVSA-N 0 0 485.620 4.473 20 0 JIADRN CC(C)(C)OC(=O)N(CCn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1C(C)(C)C)C1CC1 ZINC001359554866 1069867222 /nfs/dbraw/zinc/86/72/22/1069867222.db2.gz YUTWNVRQYDIOBJ-IBGZPJMESA-N 0 0 470.618 4.028 20 0 JIADRN CC(C)(C)NC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccsc2)CC1 ZINC001359553948 1069864292 /nfs/dbraw/zinc/86/42/92/1069864292.db2.gz UXIXCPQMGYBFQY-UHFFFAOYSA-N 0 0 466.655 4.193 20 0 JIADRN CC(C)(C)OC(=O)N1CC(Cn2c(Cc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001359554132 1069864791 /nfs/dbraw/zinc/86/47/91/1069864791.db2.gz AHNZOFKRPUMPTD-UHFFFAOYSA-N 0 0 494.562 4.300 20 0 JIADRN CC(C)(C)OC(=O)N(CCn1c(C2CCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C1CC1 ZINC001359554332 1069865081 /nfs/dbraw/zinc/86/50/81/1069865081.db2.gz HVPSLUOITWYFRM-SFHVURJKSA-N 0 0 487.567 4.493 20 0 JIADRN CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CC2(C)C)C1 ZINC001359554336 1069865118 /nfs/dbraw/zinc/86/51/18/1069865118.db2.gz HWTRPLKUZWOARI-RCCFBDPRSA-N 0 0 483.604 4.299 20 0 JIADRN CC(C)(C)OC(=O)N1CC=C(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001359555228 1069868006 /nfs/dbraw/zinc/86/80/06/1069868006.db2.gz LZHDZQBAIPTYAE-PMACEKPBSA-N 0 0 459.635 4.222 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C2CC2)CC1 ZINC001359555333 1069868244 /nfs/dbraw/zinc/86/82/44/1069868244.db2.gz OXHGLUFVQIZTBG-JOCHJYFZSA-N 0 0 487.567 4.257 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCCC3(C)C)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001359555752 1069869621 /nfs/dbraw/zinc/86/96/21/1069869621.db2.gz BHMOHKLOSMTLPP-PIJWYQRNSA-N 0 0 481.707 4.319 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCCC3(C)C)n2C[C@@H]2CC(F)(F)CO2)C1 ZINC001359555818 1069870136 /nfs/dbraw/zinc/87/01/36/1069870136.db2.gz DCRSLWAJRYGZLI-IRXDYDNUSA-N 0 0 469.577 4.196 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCCOCC2)C1 ZINC001359557308 1069875297 /nfs/dbraw/zinc/87/52/97/1069875297.db2.gz HNGBRSFTEOIONT-SFHVURJKSA-N 0 0 476.021 4.472 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001359557970 1069877008 /nfs/dbraw/zinc/87/70/08/1069877008.db2.gz UTILXHLWYUKYPQ-VQTJNVASSA-N 0 0 490.599 4.393 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359557902 1069876558 /nfs/dbraw/zinc/87/65/58/1069876558.db2.gz SVWJSGQKXPDPGP-RBUKOAKNSA-N 0 0 477.650 4.313 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001359557104 1069874453 /nfs/dbraw/zinc/87/44/53/1069874453.db2.gz CUNNJXQKXGAWTJ-VQTJNVASSA-N 0 0 490.599 4.393 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2C[C@@H]3CCC[C@H]32)n1CCOCC(F)(F)C(F)F ZINC001359558874 1069879463 /nfs/dbraw/zinc/87/94/63/1069879463.db2.gz VQTNLCSITBHZHG-XHSDSOJGSA-N 0 0 491.530 4.256 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001359558151 1069877340 /nfs/dbraw/zinc/87/73/40/1069877340.db2.gz YXHRPJAJQAQGGU-INIZCTEOSA-N 0 0 466.508 4.372 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCSCC3)n2C[C@H]2CCSC2(C)C)C1 ZINC001359558142 1069877363 /nfs/dbraw/zinc/87/73/63/1069877363.db2.gz YVKZLWBZHFCVPW-QZTJIDSGSA-N 0 0 481.732 4.478 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC1(O)CCC1 ZINC001359558587 1069878625 /nfs/dbraw/zinc/87/86/25/1069878625.db2.gz LRFRZJKQRGWSJJ-INIZCTEOSA-N 0 0 472.417 4.164 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1CCSCCCO ZINC001359558566 1069878764 /nfs/dbraw/zinc/87/87/64/1069878764.db2.gz LFOWSIVYENGTTC-HKBOAZHASA-N 0 0 493.718 4.482 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N(CCCCO)C2CC2)n1C[C@@]1(C)CCCS1 ZINC001359558704 1069878956 /nfs/dbraw/zinc/87/89/56/1069878956.db2.gz PDKZGWYIIKRNJG-YADARESESA-N 0 0 479.691 4.377 20 0 JIADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCCC2(C)C)n1CC1(O)CCCCCC1 ZINC001359561498 1069885500 /nfs/dbraw/zinc/88/55/00/1069885500.db2.gz WFUCIBJGXVESQW-IBGZPJMESA-N 0 0 477.650 4.051 20 0 JIADRN CC(C)(C)OC(=O)N1CCN(c2nnc(CC3CC3)n2Cc2cc(Br)cs2)CC1 ZINC001359560169 1069882780 /nfs/dbraw/zinc/88/27/80/1069882780.db2.gz SHBOKROYYGTDGR-UHFFFAOYSA-N 0 0 482.448 4.160 20 0 JIADRN CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCCOC2CCCCC2)CC1 ZINC001359560058 1069882806 /nfs/dbraw/zinc/88/28/06/1069882806.db2.gz OGLNRTSSVROHGF-UHFFFAOYSA-N 0 0 484.645 4.060 20 0 JIADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCCCCCC2)n1CC[C@H]1CCCCO1 ZINC001359560458 1069883314 /nfs/dbraw/zinc/88/33/14/1069883314.db2.gz AUXPOQNZQHFHSX-NHCUHLMSSA-N 0 0 477.650 4.316 20 0 JIADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[C@H](C3CC3)C2)n1CCCC(F)(F)F ZINC001359561030 1069884358 /nfs/dbraw/zinc/88/43/58/1069884358.db2.gz MJFJPRAMMJHVDF-IRXDYDNUSA-N 0 0 473.540 4.165 20 0 JIADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCCC2(C)C)n1CCOc1cccc(F)c1 ZINC001359560924 1069884411 /nfs/dbraw/zinc/88/44/11/1069884411.db2.gz KFDAGZOJOQNEFU-FQEVSTJZSA-N 0 0 489.592 4.183 20 0 JIADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(F)(F)CC2)n1CCCC1CCOCC1 ZINC001359560913 1069884460 /nfs/dbraw/zinc/88/44/60/1069884460.db2.gz KCELZBWRBKZPPC-IBGZPJMESA-N 0 0 499.603 4.029 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[C@H]2CCOC2)C1 ZINC001359562481 1069887827 /nfs/dbraw/zinc/88/78/27/1069887827.db2.gz BZKLNCHMDSJQNS-ROUUACIJSA-N 0 0 459.566 4.004 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C/C=C/c2ccccc2)C1 ZINC001359562924 1069889072 /nfs/dbraw/zinc/88/90/72/1069889072.db2.gz VMMIYCAXWQHHIJ-BVRWQAIYSA-N 0 0 474.609 4.471 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(-n3cccn3)cc2)CC1 ZINC001359563763 1069891893 /nfs/dbraw/zinc/89/18/93/1069891893.db2.gz XWSKKNIGNSXZKX-UHFFFAOYSA-N 0 0 493.656 4.498 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCOCCc2ccccc2)C1 ZINC001359563467 1069890489 /nfs/dbraw/zinc/89/04/89/1069890489.db2.gz PCTDFKUWPGFIDB-OAQYLSRUSA-N 0 0 471.646 4.328 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2Cl)C1 ZINC001359563838 1069892377 /nfs/dbraw/zinc/89/23/77/1069892377.db2.gz ZSVOWAUIYKGIRV-HNNXBMFYSA-N 0 0 472.952 4.284 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(Cl)s2)C1 ZINC001359563874 1069892403 /nfs/dbraw/zinc/89/24/03/1069892403.db2.gz AUHAKPANGCUKHJ-MRXNPFEDSA-N 0 0 475.018 4.131 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccccc2C(F)(F)F)C1 ZINC001359565443 1069896314 /nfs/dbraw/zinc/89/63/14/1069896314.db2.gz RBMDEXTYPCRQFP-KRWDZBQOSA-N 0 0 465.520 4.401 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCSCc2ccccc2)C1 ZINC001359565488 1069896395 /nfs/dbraw/zinc/89/63/95/1069896395.db2.gz RXZXKGPKZRTLEQ-JOCHJYFZSA-N 0 0 494.665 4.301 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001359564253 1069893240 /nfs/dbraw/zinc/89/32/40/1069893240.db2.gz LDDUFKOIFVMQFF-UHFFFAOYSA-N 0 0 496.656 4.136 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCOC2)CC1 ZINC001359564160 1069893306 /nfs/dbraw/zinc/89/33/06/1069893306.db2.gz IPGXCCUJFKNWIW-LJQANCHMSA-N 0 0 490.048 4.442 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2cccc(Br)n2)C1 ZINC001359564187 1069893340 /nfs/dbraw/zinc/89/33/40/1069893340.db2.gz JHECYIHOGZWPIW-KRWDZBQOSA-N 0 0 491.434 4.245 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)CC1 ZINC001359564390 1069893813 /nfs/dbraw/zinc/89/38/13/1069893813.db2.gz NUTQNHLYYMZLDY-UHFFFAOYSA-N 0 0 490.048 4.442 20 0 JIADRN CC(C)(C)OC(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(F)c2)CC1 ZINC001359564402 1069893823 /nfs/dbraw/zinc/89/38/23/1069893823.db2.gz OFVGEGUMQGMWSC-FQEVSTJZSA-N 0 0 459.566 4.201 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCSCc2ccccc2)C1 ZINC001359565489 1069896502 /nfs/dbraw/zinc/89/65/02/1069896502.db2.gz RXZXKGPKZRTLEQ-QFIPXVFZSA-N 0 0 494.665 4.301 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCS2)C1 ZINC001359564955 1069894435 /nfs/dbraw/zinc/89/44/35/1069894435.db2.gz BQMAMLJHPVYXLK-TZIWHRDSSA-N 0 0 487.670 4.289 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(C)(C)C2CC2)C1 ZINC001359565535 1069896820 /nfs/dbraw/zinc/89/68/20/1069896820.db2.gz TVANHHDINOKHGW-HXUWFJFHSA-N 0 0 454.619 4.194 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2ccccc2)C1 ZINC001359565047 1069894939 /nfs/dbraw/zinc/89/49/39/1069894939.db2.gz FZMXEPGLRXGWTC-RLWLMLJZSA-N 0 0 469.630 4.022 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001359565161 1069894951 /nfs/dbraw/zinc/89/49/51/1069894951.db2.gz IWPPTDCQMTWPRN-SJLPKXTDSA-N 0 0 462.545 4.269 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCCCO2)nnc1N1CCCCCCC1 ZINC001359565747 1069897656 /nfs/dbraw/zinc/89/76/56/1069897656.db2.gz AHPJXCNXYILYMS-KRWDZBQOSA-N 0 0 457.566 4.450 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001359565768 1069897694 /nfs/dbraw/zinc/89/76/94/1069897694.db2.gz AVEXZRQJAZHPOU-XRSWDHFMSA-N 0 0 489.686 4.233 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[C@H](O)C2)C1 ZINC001359566435 1069900538 /nfs/dbraw/zinc/90/05/38/1069900538.db2.gz RCMXYIXMIGMYNU-UFYCRDLUSA-N 0 0 487.620 4.376 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001359566589 1069901787 /nfs/dbraw/zinc/90/17/87/1069901787.db2.gz VXWZHNPTRDYQMG-FQEVSTJZSA-N 0 0 497.631 4.424 20 0 JIADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001359566694 1069902722 /nfs/dbraw/zinc/90/27/22/1069902722.db2.gz XVEHLWPKFUVQOA-HXUWFJFHSA-N 0 0 475.584 4.460 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001359566905 1069904057 /nfs/dbraw/zinc/90/40/57/1069904057.db2.gz CUEJYNJQXIGULB-AREMUKBSSA-N 0 0 486.661 4.346 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001359566829 1069904090 /nfs/dbraw/zinc/90/40/90/1069904090.db2.gz BBZBVJOBEQHSCR-QZTJIDSGSA-N 0 0 497.612 4.096 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCCC(F)(F)F)CC1 ZINC001359567004 1069906660 /nfs/dbraw/zinc/90/66/60/1069906660.db2.gz FXUUSQIEFSWOPE-UHFFFAOYSA-N 0 0 468.524 4.424 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3cccnc3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001359567116 1069907541 /nfs/dbraw/zinc/90/75/41/1069907541.db2.gz IAMBQUATVCSHBU-UHFFFAOYSA-N 0 0 495.628 4.415 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001359567133 1069908776 /nfs/dbraw/zinc/90/87/76/1069908776.db2.gz IURBPTYXZOGXMY-WTGUMLROSA-N 0 0 465.614 4.399 20 0 JIADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)cc2)CC1 ZINC001359568205 1069920703 /nfs/dbraw/zinc/92/07/03/1069920703.db2.gz GVVSPRITCYXJPO-IBGZPJMESA-N 0 0 476.021 4.225 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2Cc2ccc(Cl)nc2)C1 ZINC001359567946 1069919728 /nfs/dbraw/zinc/91/97/28/1069919728.db2.gz ZVWMFJJHIFTVIM-QGZVFWFLSA-N 0 0 461.010 4.068 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCCC2CCOCC2)C1 ZINC001359568635 1069924943 /nfs/dbraw/zinc/92/49/43/1069924943.db2.gz PMRNLCHCNKXABE-FQEVSTJZSA-N 0 0 461.651 4.494 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC(F)(F)C2)C1 ZINC001359568920 1069926806 /nfs/dbraw/zinc/92/68/06/1069926806.db2.gz VOGAZSCTVCXDEO-MOPGFXCFSA-N 0 0 476.572 4.050 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCSC2(C)C)CCO1 ZINC001359569185 1069927878 /nfs/dbraw/zinc/92/78/78/1069927878.db2.gz BSFQVSLFVXEMHR-VQTJNVASSA-N 0 0 487.670 4.207 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCSC2(C)C)CCO1 ZINC001359569183 1069928245 /nfs/dbraw/zinc/92/82/45/1069928245.db2.gz BSFQVSLFVXEMHR-PMACEKPBSA-N 0 0 487.670 4.207 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001359569298 1069928803 /nfs/dbraw/zinc/92/88/03/1069928803.db2.gz DVIZOMCYVCWVNP-QWFCFKBJSA-N 0 0 491.583 4.485 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCOCC1 ZINC001359570858 1069938183 /nfs/dbraw/zinc/93/81/83/1069938183.db2.gz NWVGSVXREXGPHL-UHFFFAOYSA-N 0 0 494.434 4.239 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001359570995 1069939301 /nfs/dbraw/zinc/93/93/01/1069939301.db2.gz RZJHOIDZRBFFSB-AREMUKBSSA-N 0 0 487.620 4.320 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001359571237 1069941898 /nfs/dbraw/zinc/94/18/98/1069941898.db2.gz ZYWMWFWQSBDMIX-HXUWFJFHSA-N 0 0 456.635 4.441 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001359571523 1069942778 /nfs/dbraw/zinc/94/27/78/1069942778.db2.gz KVNLTYAXAKORSF-UHFFFAOYSA-N 0 0 498.672 4.233 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001359571446 1069943186 /nfs/dbraw/zinc/94/31/86/1069943186.db2.gz HPDZIFUDJGNRBE-NHCUHLMSSA-N 0 0 471.602 4.482 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001359571591 1069944277 /nfs/dbraw/zinc/94/42/77/1069944277.db2.gz MQGLJOLKJHCAKP-UHFFFAOYSA-N 0 0 486.617 4.103 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(F)F)C1 ZINC001359571650 1069944850 /nfs/dbraw/zinc/94/48/50/1069944850.db2.gz ONQSEDDBEGGTMM-KRWDZBQOSA-N 0 0 493.555 4.113 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC2(C1)CCOCC2 ZINC001359571648 1069945171 /nfs/dbraw/zinc/94/51/71/1069945171.db2.gz OLLIFCITGIYESJ-UHFFFAOYSA-N 0 0 459.566 4.006 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1C2CCC1(C)CC2 ZINC001359572439 1069950303 /nfs/dbraw/zinc/95/03/03/1069950303.db2.gz NTQPZHFSVCXUCX-UHFFFAOYSA-N 0 0 455.603 4.336 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001359571895 1069946107 /nfs/dbraw/zinc/94/61/07/1069946107.db2.gz XFNOIUOBYXHWTB-IBGZPJMESA-N 0 0 473.593 4.394 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001359572064 1069947076 /nfs/dbraw/zinc/94/70/76/1069947076.db2.gz BZHBWEGQTQJDJC-IFMALSPDSA-N 0 0 485.629 4.340 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(N(Cc2ccco2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001359572597 1069951411 /nfs/dbraw/zinc/95/14/11/1069951411.db2.gz QQYCOQUGWRWUKV-IBGZPJMESA-N 0 0 461.607 4.269 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001359572702 1069951786 /nfs/dbraw/zinc/95/17/86/1069951786.db2.gz UKRHJTXDIIVMKD-QHCPKHFHSA-N 0 0 492.624 4.147 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001359573085 1069954083 /nfs/dbraw/zinc/95/40/83/1069954083.db2.gz IPVQOIHEPDJLGT-SFTDATJTSA-N 0 0 496.656 4.015 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 ZINC001359573228 1069955265 /nfs/dbraw/zinc/95/52/65/1069955265.db2.gz OAECRWIIYWZNLJ-UHFFFAOYSA-N 0 0 452.024 4.455 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001359573922 1069958094 /nfs/dbraw/zinc/95/80/94/1069958094.db2.gz JRJYWXGKCFNVGO-MRXNPFEDSA-N 0 0 474.556 4.356 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001359575052 1069963211 /nfs/dbraw/zinc/96/32/11/1069963211.db2.gz UPIWFJMTOCRIKT-ZWKOTPCHSA-N 0 0 472.659 4.365 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)c2ccccn2)C1 ZINC001359575265 1069965586 /nfs/dbraw/zinc/96/55/86/1069965586.db2.gz CCROEJIPYOKKKL-WOJBJXKFSA-N 0 0 484.645 4.386 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccco2)C1 ZINC001359575306 1069965651 /nfs/dbraw/zinc/96/56/51/1069965651.db2.gz DTMYGJTXPBMQFX-GOSISDBHSA-N 0 0 471.533 4.131 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccnc(C(F)(F)F)c2)C1 ZINC001359575914 1069972122 /nfs/dbraw/zinc/97/21/22/1069972122.db2.gz DXDJWKGPVIAFNM-MRXNPFEDSA-N 0 0 466.508 4.111 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2nccs2)C1 ZINC001359576285 1069975820 /nfs/dbraw/zinc/97/58/20/1069975820.db2.gz VTJQOIDBKQLFQB-LJQANCHMSA-N 0 0 468.627 4.062 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H]2CCSC2)C[C@H]1CC1CC1 ZINC001359576486 1069977027 /nfs/dbraw/zinc/97/70/27/1069977027.db2.gz FCJVYIRUUWYNES-GUDVDZBRSA-N 0 0 463.692 4.458 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccs2)C1 ZINC001359576860 1069979369 /nfs/dbraw/zinc/97/93/69/1069979369.db2.gz XEAKCBFQFVYMAY-HNNXBMFYSA-N 0 0 460.991 4.207 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCOCC(F)F)C1 ZINC001359576879 1069980126 /nfs/dbraw/zinc/98/01/26/1069980126.db2.gz YKXZASZGZFOFNM-INIZCTEOSA-N 0 0 490.555 4.202 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)CCCS2)C1 ZINC001359577051 1069981035 /nfs/dbraw/zinc/98/10/35/1069981035.db2.gz GPYJAXWXEDXVQC-HTAPYJJXSA-N 0 0 463.673 4.320 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOC2CCCCCC2)C1 ZINC001359576976 1069981128 /nfs/dbraw/zinc/98/11/28/1069981128.db2.gz CPZPHDIEULMBKF-FPOVZHCZSA-N 0 0 477.650 4.363 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001359577351 1069983144 /nfs/dbraw/zinc/98/31/44/1069983144.db2.gz RQZAMTVTRNIGBW-SFHVURJKSA-N 0 0 498.603 4.445 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001359577395 1069983872 /nfs/dbraw/zinc/98/38/72/1069983872.db2.gz UCDPMTUWBQDGQE-VJBWXMMDSA-N 0 0 483.657 4.108 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001359577396 1069983973 /nfs/dbraw/zinc/98/39/73/1069983973.db2.gz UCDPMTUWBQDGQE-XPWALMASSA-N 0 0 483.657 4.108 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@](C)(O)C2CCCCC2)C1 ZINC001359577443 1069984886 /nfs/dbraw/zinc/98/48/86/1069984886.db2.gz WIRVCSJESICSGD-CPJSRVTESA-N 0 0 461.651 4.370 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2CCCOC2)C1 ZINC001359577556 1069986438 /nfs/dbraw/zinc/98/64/38/1069986438.db2.gz BEPLUBKWSZSRRC-ZRNYENFQSA-N 0 0 461.651 4.348 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H]2CCCCO2)C1 ZINC001359577807 1069987070 /nfs/dbraw/zinc/98/70/70/1069987070.db2.gz KSPPJOFXXXLJRJ-PLACYPQZSA-N 0 0 491.677 4.402 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[C@H](OCC4CC4)C3)n2CC(F)(F)F)C1 ZINC001359577994 1069987115 /nfs/dbraw/zinc/98/71/15/1069987115.db2.gz QEIIZZRLQDJQHI-BBWFWOEESA-N 0 0 473.540 4.007 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC=C(Br)C3)n2C[C@H]2CCC=CO2)C1 ZINC001359578273 1069989437 /nfs/dbraw/zinc/98/94/37/1069989437.db2.gz ZGTCBDFUTCRRCJ-BPQIPLTHSA-N 0 0 494.434 4.230 20 0 JIADRN CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(c1nnc(-c3ccccc3)n1CC(F)(F)Br)C2 ZINC001359578700 1069990959 /nfs/dbraw/zinc/99/09/59/1069990959.db2.gz PIOBNGJLDFPJFJ-LIRRHRJNSA-N 0 0 484.345 4.036 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2CC2(C)C)C1 ZINC001359578953 1069992827 /nfs/dbraw/zinc/99/28/27/1069992827.db2.gz YEKUPJPVFQCCFA-OKYOBFRVSA-N 0 0 461.651 4.346 20 0 JIADRN CC(C)(C)O[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCSC2)C1 ZINC001359579338 1069995641 /nfs/dbraw/zinc/99/56/41/1069995641.db2.gz IJAWGJZXDZEGHL-PGRDOPGGSA-N 0 0 495.487 4.360 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2Cl)C1 ZINC001359580934 1070002453 /nfs/dbraw/zinc/00/24/53/1070002453.db2.gz PLIVNCZKJWZNAF-OSPHWJPCSA-N 0 0 471.005 4.080 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CCSCCCO)C1 ZINC001359579815 1069999479 /nfs/dbraw/zinc/99/94/79/1069999479.db2.gz UHRBCDUNSFPTRT-HXUWFJFHSA-N 0 0 469.655 4.393 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3c[nH]c4ccccc43)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359580360 1070001089 /nfs/dbraw/zinc/00/10/89/1070001089.db2.gz FBBMMTGQVQIOOG-GOSISDBHSA-N 0 0 487.670 4.424 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCOc2ncccc2F)C1 ZINC001359580189 1070001204 /nfs/dbraw/zinc/00/12/04/1070001204.db2.gz BQZDHYKRRAKLCJ-OAQYLSRUSA-N 0 0 483.588 4.297 20 0 JIADRN CC(C)(C)O[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CCN2CCOC(C)(C)C2)C1 ZINC001359580286 1070001433 /nfs/dbraw/zinc/00/14/33/1070001433.db2.gz DDUQPODYFYKQGE-DEOSSOPVSA-N 0 0 483.701 4.348 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 ZINC001359580553 1070002115 /nfs/dbraw/zinc/00/21/15/1070002115.db2.gz ILHHOVYQNNCWRV-HXUWFJFHSA-N 0 0 480.657 4.296 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCc2ccncc2)C1 ZINC001359581632 1070004410 /nfs/dbraw/zinc/00/44/10/1070004410.db2.gz GIGQBWKJGLMWJI-HXUWFJFHSA-N 0 0 453.562 4.418 20 0 JIADRN CC(C)(C)OC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001359582494 1070007762 /nfs/dbraw/zinc/00/77/62/1070007762.db2.gz KEPMAYZUJKKKOW-JOCHJYFZSA-N 0 0 488.698 4.062 20 0 JIADRN CC(C)(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001359582076 1070006220 /nfs/dbraw/zinc/00/62/20/1070006220.db2.gz VMFHLDRHVHPOKN-INIZCTEOSA-N 0 0 455.937 4.202 20 0 JIADRN CC(C)(C)OCc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(N)=O)CC2)c1 ZINC001359583082 1070009330 /nfs/dbraw/zinc/00/93/30/1070009330.db2.gz DJJVDQTZSBHDTG-DHIUTWEWSA-N 0 0 497.684 4.262 20 0 JIADRN CC(C)(C)OCc1cc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)no1 ZINC001359583628 1070011271 /nfs/dbraw/zinc/01/12/71/1070011271.db2.gz YAAZYGFBCQMPBR-RUZDIDTESA-N 0 0 468.602 4.333 20 0 JIADRN CC(C)(C)OCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC(C)(C)C1 ZINC001359583598 1070011399 /nfs/dbraw/zinc/01/13/99/1070011399.db2.gz XDGUNUATHUCKKE-UHFFFAOYSA-N 0 0 455.372 4.277 20 0 JIADRN CC(C)(C)OCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001359585760 1070016196 /nfs/dbraw/zinc/01/61/96/1070016196.db2.gz NGGJTUAFDJDXAZ-UHFFFAOYSA-N 0 0 488.057 4.248 20 0 JIADRN CC(C)(C)OCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001359584142 1070012865 /nfs/dbraw/zinc/01/28/65/1070012865.db2.gz QWUUNMFBDWGJOY-HXUWFJFHSA-N 0 0 473.524 4.335 20 0 JIADRN CC(C)(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359584684 1070013499 /nfs/dbraw/zinc/01/34/99/1070013499.db2.gz GXZIUGBCUYKCJO-PMACEKPBSA-N 0 0 493.693 4.459 20 0 JIADRN CC(C)(C)O[C@@H]1C[C@H](Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1(C)C ZINC001359586819 1070019747 /nfs/dbraw/zinc/01/97/47/1070019747.db2.gz ZCPPYPWPFRRTDS-NJDAHSKKSA-N 0 0 474.671 4.188 20 0 JIADRN CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001359587419 1070020495 /nfs/dbraw/zinc/02/04/95/1070020495.db2.gz RCBSXYHIGLDIPJ-FXAWDEMLSA-N 0 0 497.061 4.044 20 0 JIADRN CC(C)(C)O[C@@H]1C[C@H](Cn2c(C3CCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1(C)C ZINC001359586534 1070018620 /nfs/dbraw/zinc/01/86/20/1070018620.db2.gz PINOAPGJOOLBOS-HSALFYBXSA-N 0 0 466.692 4.179 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N(Cc1c(F)cccc1F)C1CC1 ZINC001359589901 1070026769 /nfs/dbraw/zinc/02/67/69/1070026769.db2.gz SGNAZIUEGPJGGY-FTDQSSOUSA-N 0 0 466.598 4.167 20 0 JIADRN CC(C)(C)[S@](=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001359589188 1070025159 /nfs/dbraw/zinc/02/51/59/1070025159.db2.gz GYWMISFVBAFALU-LDLUVENISA-N 0 0 481.460 4.043 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001359590372 1070027999 /nfs/dbraw/zinc/02/79/99/1070027999.db2.gz AMCKVGNJGAQYLP-PMERELPUSA-N 0 0 490.471 4.317 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001359590941 1070030230 /nfs/dbraw/zinc/03/02/30/1070030230.db2.gz NEZYYWBPGPALIT-QTEAWJPNSA-N 0 0 495.487 4.118 20 0 JIADRN 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/nfs/dbraw/zinc/32/89/67/1064328967.db2.gz IYONYLYDJOQRNC-UUOWRZLLSA-N 0 0 492.523 4.267 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCCC3)n2CCNC(=O)c2cccs2)cc1OC ZINC001315478548 1064334322 /nfs/dbraw/zinc/33/43/22/1064334322.db2.gz WRIKHVLJTMRJRV-UHFFFAOYSA-N 0 0 469.611 4.081 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001315479162 1064334855 /nfs/dbraw/zinc/33/48/55/1064334855.db2.gz DWEWVRQAXTTXLR-AUSIDOKSSA-N 0 0 455.628 4.340 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC2(O)CCCCCC2)cc1 ZINC001315480546 1064340075 /nfs/dbraw/zinc/34/00/75/1064340075.db2.gz WDZZUFSKFGJUFB-UHFFFAOYSA-N 0 0 455.628 4.364 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC2(C)CCOCC2)cc1C ZINC001315480772 1064341417 /nfs/dbraw/zinc/34/14/17/1064341417.db2.gz ZSECIBFQCIBJLG-UHFFFAOYSA-N 0 0 455.628 4.404 20 0 JIADRN COc1ccc(CN(c2nnc(C(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)C2CC2)cc1 ZINC001315482037 1064344306 /nfs/dbraw/zinc/34/43/06/1064344306.db2.gz WHDCLUNWDYXUEN-OAQYLSRUSA-N 0 0 477.600 4.109 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)cc1 ZINC001315482080 1064344435 /nfs/dbraw/zinc/34/44/35/1064344435.db2.gz XEVFQWMWIHVKDX-LJQANCHMSA-N 0 0 477.487 4.159 20 0 JIADRN COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C)(C)CC2)c(C(F)(F)F)c1 ZINC001315482381 1064344970 /nfs/dbraw/zinc/34/49/70/1064344970.db2.gz ATNIBLGRCFAVIQ-UHFFFAOYSA-N 0 0 465.520 4.216 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCSC2)cc1 ZINC001315482100 1064345130 /nfs/dbraw/zinc/34/51/30/1064345130.db2.gz XTZOWESYBTYMQA-SLFFLAALSA-N 0 0 487.670 4.447 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCOC2)cc1 ZINC001315482460 1064345699 /nfs/dbraw/zinc/34/56/99/1064345699.db2.gz ACAKOONTLMMHOL-UNMCSNQZSA-N 0 0 485.629 4.422 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(-c3cccnc3)n2C[C@H]2CCCC2(C)C)c(OC)c1 ZINC001315483261 1064347185 /nfs/dbraw/zinc/34/71/85/1064347185.db2.gz KQNRENVWVGWLKP-OAQYLSRUSA-N 0 0 465.598 4.183 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)cc1C ZINC001315483092 1064347197 /nfs/dbraw/zinc/34/71/97/1064347197.db2.gz JGPBIPFYTLTVMB-SFTDATJTSA-N 0 0 485.629 4.340 20 0 JIADRN COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2CCc2csc(C(C)(C)C)n2)cc1 ZINC001315482852 1064347284 /nfs/dbraw/zinc/34/72/84/1064347284.db2.gz HLSQGCNJZRYKLT-UHFFFAOYSA-N 0 0 482.654 4.042 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccncc2Cl)cc1F ZINC001315483441 1064348900 /nfs/dbraw/zinc/34/89/00/1064348900.db2.gz PABWZQGDXSKWBZ-UHFFFAOYSA-N 0 0 469.952 4.021 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCCSC)c(C(F)(F)F)c1 ZINC001315483940 1064351252 /nfs/dbraw/zinc/35/12/52/1064351252.db2.gz BPBCCZGTJSEFOE-UHFFFAOYSA-N 0 0 494.543 4.190 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N(CCO)Cc2ccc(Br)s2)cc1OC ZINC001315485445 1064354793 /nfs/dbraw/zinc/35/47/93/1064354793.db2.gz PKULBVMFMKXDSS-UHFFFAOYSA-N 0 0 495.443 4.290 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(OC)n1 ZINC001315486138 1064357147 /nfs/dbraw/zinc/35/71/47/1064357147.db2.gz CNCQOJUAVHPDQO-XXICBBBGSA-N 0 0 495.605 4.242 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@H](C)C2)c(OC)n1 ZINC001315486593 1064358373 /nfs/dbraw/zinc/35/83/73/1064358373.db2.gz AENGAGSWLUXIJO-HOTGVXAUSA-N 0 0 457.962 4.378 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)cn1 ZINC001315486964 1064360093 /nfs/dbraw/zinc/36/00/93/1064360093.db2.gz LFJKSTUUTKHEHP-KXBFYZLASA-N 0 0 472.387 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001315487452 1064361410 /nfs/dbraw/zinc/36/14/10/1064361410.db2.gz OJKGOFZHTUHRFM-SFHVURJKSA-N 0 0 497.596 4.263 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(C)on2)c(C(F)(F)F)c1 ZINC001315487726 1064362771 /nfs/dbraw/zinc/36/27/71/1064362771.db2.gz JYBAERVJAUPWJC-UHFFFAOYSA-N 0 0 458.444 4.349 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2C[C@H](OC)C(C)(C)C2)cc1Br ZINC001315487773 1064362822 /nfs/dbraw/zinc/36/28/22/1064362822.db2.gz LLRFFMBKRSOTQT-IBGZPJMESA-N 0 0 472.387 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CCn2cccn2)c(C(F)(F)F)c1 ZINC001315488594 1064364215 /nfs/dbraw/zinc/36/42/15/1064364215.db2.gz VLGZSNLDEUPZJG-UHFFFAOYSA-N 0 0 460.460 4.255 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)[C@@H]2C)c(OC)n1 ZINC001315488393 1064365048 /nfs/dbraw/zinc/36/50/48/1064365048.db2.gz GWXCGXAGEZHMAI-PMACEKPBSA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CCCSC)c(OC)n1 ZINC001315488586 1064365790 /nfs/dbraw/zinc/36/57/90/1064365790.db2.gz QJOFNDBOBFMZHK-UHFFFAOYSA-N 0 0 478.622 4.452 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC=C(C)CC2)cc1OC ZINC001315489351 1064368752 /nfs/dbraw/zinc/36/87/52/1064368752.db2.gz XQNBKOJTHMOTHD-UHFFFAOYSA-N 0 0 472.387 4.268 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)cn1 ZINC001315490353 1064372662 /nfs/dbraw/zinc/37/26/62/1064372662.db2.gz RXRYJDUMOKJHHN-IRXDYDNUSA-N 0 0 455.534 4.013 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC2COC(C)(C)OC2)cc1Cl ZINC001315490824 1064374171 /nfs/dbraw/zinc/37/41/71/1064374171.db2.gz CQLBDBLIAFPCML-UHFFFAOYSA-N 0 0 471.989 4.194 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC(C)(C)OC[C@@H]2C)cc1Br ZINC001315491147 1064374862 /nfs/dbraw/zinc/37/48/62/1064374862.db2.gz GTCYKVKVVWIUNU-AWEZNQCLSA-N 0 0 460.376 4.096 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2cccs2)c(OC)c1OC ZINC001315491203 1064375782 /nfs/dbraw/zinc/37/57/82/1064375782.db2.gz QSVMQMQKFHEQNN-UHFFFAOYSA-N 0 0 451.552 4.112 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1Br ZINC001315491997 1064377068 /nfs/dbraw/zinc/37/70/68/1064377068.db2.gz MDSVXRSUZLSHNJ-FQEVSTJZSA-N 0 0 486.414 4.411 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H]2CCSC2)cc1Br ZINC001315492174 1064377996 /nfs/dbraw/zinc/37/79/96/1064377996.db2.gz XXBRZTPRUMJRLK-INIZCTEOSA-N 0 0 474.428 4.410 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)c(OC)c1OC ZINC001315492797 1064379496 /nfs/dbraw/zinc/37/94/96/1064379496.db2.gz DFRZKSVKCFAUBE-UHFFFAOYSA-N 0 0 474.993 4.033 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315494297 1064383151 /nfs/dbraw/zinc/38/31/51/1064383151.db2.gz IDEIIIAGPLLJKA-SCWSEQNSSA-N 0 0 489.592 4.065 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(F)(F)F)CC2)cc1OC ZINC001315495004 1064385552 /nfs/dbraw/zinc/38/55/52/1064385552.db2.gz CIXWAHJAYJPQMS-QGZVFWFLSA-N 0 0 454.493 4.016 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1OC(F)F ZINC001315495699 1064387769 /nfs/dbraw/zinc/38/77/69/1064387769.db2.gz KJDZXBXBXDKNLN-CABCVRRESA-N 0 0 476.446 4.219 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1OC(F)F ZINC001315495702 1064387822 /nfs/dbraw/zinc/38/78/22/1064387822.db2.gz KJDZXBXBXDKNLN-LSDHHAIUSA-N 0 0 476.446 4.219 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)c2nccs2)cc1OC(F)F ZINC001315496761 1064389285 /nfs/dbraw/zinc/38/92/85/1064389285.db2.gz ULLLSEQIBQMPLX-GOEBONIOSA-N 0 0 479.553 4.137 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)c2nccs2)cc1OC(F)F ZINC001315496759 1064389299 /nfs/dbraw/zinc/38/92/99/1064389299.db2.gz ULLLSEQIBQMPLX-GDBMZVCRSA-N 0 0 479.553 4.137 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)cc1Cl ZINC001315497678 1064390930 /nfs/dbraw/zinc/39/09/30/1064390930.db2.gz OBSSKPPGSQVFCW-DEOSSOPVSA-N 0 0 463.022 4.351 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC001315497641 1064391147 /nfs/dbraw/zinc/39/11/47/1064391147.db2.gz MZEDVHFUYILPJM-MWTRTKDXSA-N 0 0 482.547 4.327 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)c(C(F)(F)F)c1 ZINC001315497723 1064391711 /nfs/dbraw/zinc/39/17/11/1064391711.db2.gz PNGUJPZLHKXLOJ-MRXNPFEDSA-N 0 0 486.560 4.025 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3cncn3)CC2)c(C(F)(F)F)c1 ZINC001315498098 1064392513 /nfs/dbraw/zinc/39/25/13/1064392513.db2.gz GIWGPZMJUXUYHN-UHFFFAOYSA-N 0 0 491.562 4.451 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(F)c(F)c3)C2)cn1 ZINC001315499310 1064396186 /nfs/dbraw/zinc/39/61/86/1064396186.db2.gz PMVJTHQYMGOWCV-FQEVSTJZSA-N 0 0 457.525 4.175 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cccs2)c(OC)n1 ZINC001315499124 1064396237 /nfs/dbraw/zinc/39/62/37/1064396237.db2.gz LCVWUKPOGMLGBI-UHFFFAOYSA-N 0 0 453.543 4.166 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@@H](OC)C(C)(C)C2)c(C(F)(F)F)c1 ZINC001315499747 1064397857 /nfs/dbraw/zinc/39/78/57/1064397857.db2.gz QUAWDTUGCFTXHW-HXUWFJFHSA-N 0 0 475.515 4.201 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(F)c1 ZINC001315499923 1064398912 /nfs/dbraw/zinc/39/89/12/1064398912.db2.gz FKWLECICYHHBMB-JXFKEZNVSA-N 0 0 461.582 4.022 20 0 JIADRN COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)=C(Br)C2)cn1 ZINC001315500020 1064399427 /nfs/dbraw/zinc/39/94/27/1064399427.db2.gz TZBCZPMSUFCZQT-UHFFFAOYSA-N 0 0 490.352 4.478 20 0 JIADRN COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H]2CC=CCC2)c(OC)n1 ZINC001315500446 1064400293 /nfs/dbraw/zinc/40/02/93/1064400293.db2.gz WJZBBUNQUMGCMH-QGZVFWFLSA-N 0 0 469.536 4.400 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1Br ZINC001315500595 1064401096 /nfs/dbraw/zinc/40/10/96/1064401096.db2.gz JFRZDOWWPDNSHK-HXOBKFHXSA-N 0 0 493.446 4.070 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC001315501275 1064402712 /nfs/dbraw/zinc/40/27/12/1064402712.db2.gz MRZGFCRDRWALDN-HXUWFJFHSA-N 0 0 475.515 4.345 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(OCCC(C)C)CC2)cc1F ZINC001315501497 1064403706 /nfs/dbraw/zinc/40/37/06/1064403706.db2.gz PQDVAWHRUWCRRH-UHFFFAOYSA-N 0 0 467.589 4.491 20 0 JIADRN COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(Cl)s2)cc1Cl ZINC001315501939 1064404292 /nfs/dbraw/zinc/40/42/92/1064404292.db2.gz 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ZINC001315524039 1064496832 /nfs/dbraw/zinc/49/68/32/1064496832.db2.gz RCPRBSAUCXYBRF-FQEVSTJZSA-N 0 0 471.602 4.404 20 0 JIADRN COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2CC2(SC)CCOCC2)cc1 ZINC001315523991 1064496862 /nfs/dbraw/zinc/49/68/62/1064496862.db2.gz QMURGIDUYJWPGK-UHFFFAOYSA-N 0 0 474.549 4.167 20 0 JIADRN COc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)c2c(C)noc2C)cc1 ZINC001315524454 1064497700 /nfs/dbraw/zinc/49/77/00/1064497700.db2.gz UKEIHNZSGRPGPV-VGOFRKELSA-N 0 0 469.586 4.280 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCNC(=O)C2CCC2)cc1 ZINC001315525143 1064500119 /nfs/dbraw/zinc/50/01/19/1064500119.db2.gz NLMCUVVRHXEQRL-IBGZPJMESA-N 0 0 469.630 4.045 20 0 JIADRN COc1ccc(OCc2nnc(N(C)C3CCCCC3)n2CCCN2CCCCCC2=O)cc1 ZINC001315525333 1064500648 /nfs/dbraw/zinc/50/06/48/1064500648.db2.gz ZDUQYXRKFYFMFE-UHFFFAOYSA-N 0 0 469.630 4.427 20 0 JIADRN COc1ccc(OCc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC001315525492 1064500789 /nfs/dbraw/zinc/50/07/89/1064500789.db2.gz QCVYVLBLHAQSOT-OAQYLSRUSA-N 0 0 481.597 4.132 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H]2CC(F)(F)CO2)cc1 ZINC001315525886 1064502040 /nfs/dbraw/zinc/50/20/40/1064502040.db2.gz UAMCUPDKMIWATD-QFBILLFUSA-N 0 0 450.530 4.162 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2ccc(C)nc2)cc1 ZINC001315526971 1064503381 /nfs/dbraw/zinc/50/33/81/1064503381.db2.gz NIDCMTSLRXMREK-UHFFFAOYSA-N 0 0 464.957 4.302 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3ccc(Br)s3)n2C[C@@H]2CCOC2)cc1 ZINC001315526928 1064503470 /nfs/dbraw/zinc/50/34/70/1064503470.db2.gz LYVVHCRWGPZCRG-HNNXBMFYSA-N 0 0 493.427 4.363 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2Cc2cccs2)cc1 ZINC001315526974 1064503502 /nfs/dbraw/zinc/50/35/02/1064503502.db2.gz NJYZZKHMOWXDEE-UHFFFAOYSA-N 0 0 492.527 4.364 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCSC(F)(F)F)cc1 ZINC001315527220 1064503995 /nfs/dbraw/zinc/50/39/95/1064503995.db2.gz PYZZOKAAXCLRSA-UHFFFAOYSA-N 0 0 484.548 4.105 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2Cc2nc(C)c(C)s2)cc1 ZINC001315527147 1064504009 /nfs/dbraw/zinc/50/40/09/1064504009.db2.gz OVWDBYKTIZFRCW-UHFFFAOYSA-N 0 0 450.568 4.019 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3c(C)noc3C)n2CCc2scnc2C)cc1 ZINC001315527209 1064504034 /nfs/dbraw/zinc/50/40/34/1064504034.db2.gz PVRHGLQKRLWVFT-UHFFFAOYSA-N 0 0 468.583 4.115 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2c(C)noc2C)cc1 ZINC001315527269 1064504186 /nfs/dbraw/zinc/50/41/86/1064504186.db2.gz QXHJSBPOPGTKKJ-UHFFFAOYSA-N 0 0 482.972 4.398 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCCOC(F)(F)F)cc1 ZINC001315527980 1064506465 /nfs/dbraw/zinc/50/64/65/1064506465.db2.gz CZPGNOXSRLHEEP-GJZGRUSLSA-N 0 0 460.522 4.122 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCc2nc(C)c(C)s2)cc1 ZINC001315528401 1064507436 /nfs/dbraw/zinc/50/74/36/1064507436.db2.gz IRUPTIBSNIKOSQ-INIZCTEOSA-N 0 0 471.627 4.185 20 0 JIADRN COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1Cc1csc(C)c1)C[C@H]2O ZINC001315528487 1064507573 /nfs/dbraw/zinc/50/75/73/1064507573.db2.gz ZZBMAHIKOXOJFN-GOSISDBHSA-N 0 0 456.612 4.356 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CCCc2c[nH]nc2C)cc1 ZINC001315528666 1064508738 /nfs/dbraw/zinc/50/87/38/1064508738.db2.gz DWRDKDTWBHTHDY-UHFFFAOYSA-N 0 0 452.603 4.402 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2Cc2ccc(C)s2)cc1 ZINC001315528831 1064509386 /nfs/dbraw/zinc/50/93/86/1064509386.db2.gz OHODGAGJDTUKEZ-UHFFFAOYSA-N 0 0 497.665 4.367 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2CCC(=O)NC2CCCCC2)cc1 ZINC001315529179 1064510380 /nfs/dbraw/zinc/51/03/80/1064510380.db2.gz SUPAQLJPMRWNKD-WOJBJXKFSA-N 0 0 469.630 4.330 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001315529892 1064512436 /nfs/dbraw/zinc/51/24/36/1064512436.db2.gz PPQPALKVFQFCOE-SFHVURJKSA-N 0 0 457.619 4.043 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2CCOC(C)C)cc1 ZINC001315531029 1064515601 /nfs/dbraw/zinc/51/56/01/1064515601.db2.gz BMDJOZFVOCJABS-FQEVSTJZSA-N 0 0 450.530 4.162 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(C)CC3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001315530994 1064515757 /nfs/dbraw/zinc/51/57/57/1064515757.db2.gz BFGXVLAUOAJQPV-UHFFFAOYSA-N 0 0 473.618 4.359 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@H]2CCCC2(C)C)cc1 ZINC001315531319 1064516148 /nfs/dbraw/zinc/51/61/48/1064516148.db2.gz FRKMZFDLBJIQOM-HXUWFJFHSA-N 0 0 469.630 4.139 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001315531636 1064516935 /nfs/dbraw/zinc/51/69/35/1064516935.db2.gz LYBUOTKCTLSWOE-UHFFFAOYSA-N 0 0 483.613 4.188 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CC[C@H](OC)C(F)(F)F)cc1 ZINC001315531891 1064517611 /nfs/dbraw/zinc/51/76/11/1064517611.db2.gz AEPDNELNPABXRD-SNRMKQJTSA-N 0 0 454.493 4.212 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001315532039 1064518573 /nfs/dbraw/zinc/51/85/73/1064518573.db2.gz UUHGRMCUBJDPLD-REWPJTCUSA-N 0 0 464.557 4.144 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(F)(F)Br)cc1 ZINC001315532340 1064519418 /nfs/dbraw/zinc/51/94/18/1064519418.db2.gz HCQVDFJNBRLMFV-LBPRGKRZSA-N 0 0 481.288 4.335 20 0 JIADRN COc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001315532819 1064520544 /nfs/dbraw/zinc/52/05/44/1064520544.db2.gz ALGKMUIHOGYXTB-GOSISDBHSA-N 0 0 473.618 4.405 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](c4nc(C)no4)C3)n2CCSC(F)(F)F)cc1 ZINC001315533555 1064521405 /nfs/dbraw/zinc/52/14/05/1064521405.db2.gz FHYFJYZSEKNYCD-HNNXBMFYSA-N 0 0 498.531 4.194 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H]4CCC[C@@H]43)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001315534216 1064523373 /nfs/dbraw/zinc/52/33/73/1064523373.db2.gz SRMCPOZMCKADFP-NQIIRXRSSA-N 0 0 471.602 4.159 20 0 JIADRN COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001315534914 1064525301 /nfs/dbraw/zinc/52/53/01/1064525301.db2.gz QZMCNWOWZBFERD-IBGZPJMESA-N 0 0 481.597 4.100 20 0 JIADRN COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001315534916 1064525533 /nfs/dbraw/zinc/52/55/33/1064525533.db2.gz QZMCNWOWZBFERD-LJQANCHMSA-N 0 0 481.597 4.100 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2CCCSC2)cc1 ZINC001315535332 1064525835 /nfs/dbraw/zinc/52/58/35/1064525835.db2.gz YESFIYVYZWWGMS-DENIHFKCSA-N 0 0 460.644 4.260 20 0 JIADRN COc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCSCC(F)(F)F)cc1 ZINC001315535573 1064526844 /nfs/dbraw/zinc/52/68/44/1064526844.db2.gz LKIFDEZYFGMLFD-AWEZNQCLSA-N 0 0 462.563 4.103 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001315536328 1064528183 /nfs/dbraw/zinc/52/81/83/1064528183.db2.gz WPYAYSKTMYYTCE-NHCUHLMSSA-N 0 0 460.644 4.259 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001315536754 1064528598 /nfs/dbraw/zinc/52/85/98/1064528598.db2.gz XYDWZNVGAGKMSG-OAHLLOKOSA-N 0 0 474.656 4.005 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC2(SC)CC2)cc1 ZINC001315537343 1064530075 /nfs/dbraw/zinc/53/00/75/1064530075.db2.gz SSLONTYDACIOPD-GOSISDBHSA-N 0 0 486.560 4.309 20 0 JIADRN COc1ccc(OCc2nnc(N3CCSCC3)n2Cc2cc(Br)cs2)cc1 ZINC001315537879 1064531376 /nfs/dbraw/zinc/53/13/76/1064531376.db2.gz ZYZBBMCDDNWYKJ-UHFFFAOYSA-N 0 0 481.441 4.291 20 0 JIADRN COc1ccc(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H]2CC[C@H](C)C2)cc1 ZINC001315538211 1064531442 /nfs/dbraw/zinc/53/14/42/1064531442.db2.gz OONWCSXVOLDBHA-ROUUACIJSA-N 0 0 499.553 4.324 20 0 JIADRN COc1ccc(OCCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 ZINC001315538069 1064531787 /nfs/dbraw/zinc/53/17/87/1064531787.db2.gz YVAZPJRNPHULCB-IBGZPJMESA-N 0 0 478.597 4.276 20 0 JIADRN COc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC001315538082 1064532011 /nfs/dbraw/zinc/53/20/11/1064532011.db2.gz ZGZDCCVMDJBDEI-JOCHJYFZSA-N 0 0 495.672 4.469 20 0 JIADRN COc1ccc(OCCN(C)c2nnc(Cn3nc(C)cc3C)n2CC2CCCCC2)cc1 ZINC001315539828 1064535384 /nfs/dbraw/zinc/53/53/84/1064535384.db2.gz ZKZGNHYRYYXRGA-UHFFFAOYSA-N 0 0 452.603 4.244 20 0 JIADRN COc1ccc(OCCCn2c(N3CCC[C@H](n4cc(C)cn4)C3)nnc2C(C)(C)C)cc1 ZINC001315540253 1064535849 /nfs/dbraw/zinc/53/58/49/1064535849.db2.gz CPLSDTVJQMYBLJ-FQEVSTJZSA-N 0 0 452.603 4.400 20 0 JIADRN COc1ccc(OCCCn2c(Cc3cccnc3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 ZINC001315540781 1064537532 /nfs/dbraw/zinc/53/75/32/1064537532.db2.gz LDJYRFPESFQZER-RTBURBONSA-N 0 0 453.612 4.072 20 0 JIADRN COc1ccc(OCCn2c(CC3CCCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC001315541096 1064538219 /nfs/dbraw/zinc/53/82/19/1064538219.db2.gz DWWVUXDQJXIEDD-JOCHJYFZSA-N 0 0 497.684 4.477 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](OC)C(C)(C)C2)c1 ZINC001315541925 1064540741 /nfs/dbraw/zinc/54/07/41/1064540741.db2.gz JDWSCCDJKWSUJM-NRFANRHFSA-N 0 0 497.665 4.117 20 0 JIADRN COc1ccc2c(c1)CCC[C@@H]2Cn1c(C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001315542682 1064541697 /nfs/dbraw/zinc/54/16/97/1064541697.db2.gz NSVLMIUYJYGDBK-WOJBJXKFSA-N 0 0 455.603 4.161 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(C)=O)C2)c1 ZINC001315542774 1064542283 /nfs/dbraw/zinc/54/22/83/1064542283.db2.gz RAAYKNNVQJZVSC-HXUWFJFHSA-N 0 0 455.647 4.206 20 0 JIADRN COc1cccc([C@@H](C)N2CCN(c3nnc(CC4CC4)n3CC(F)(F)Br)CC2)c1 ZINC001315545133 1064549405 /nfs/dbraw/zinc/54/94/05/1064549405.db2.gz LVEHJGDTWLPMLR-OAHLLOKOSA-N 0 0 484.389 4.110 20 0 JIADRN COc1ccc2c(c1)nc(Cn1c([C@@H]3CCO[C@H]3C(C)(C)C)nnc1N(C)CCCSC)n2C ZINC001315545595 1064551199 /nfs/dbraw/zinc/55/11/99/1064551199.db2.gz ZEAXWCMRMXJAAH-XMSQKQJNSA-N 0 0 486.686 4.330 20 0 JIADRN COc1ccc2[nH]cc(C3=CCN(c4nnc(C(C)C)n4CCCNC(=O)C(C)C)CC3)c2c1 ZINC001315546322 1064553452 /nfs/dbraw/zinc/55/34/52/1064553452.db2.gz NQXCHVAOZSRLCL-UHFFFAOYSA-N 0 0 464.614 4.347 20 0 JIADRN COc1cccc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001315547000 1064555430 /nfs/dbraw/zinc/55/54/30/1064555430.db2.gz ZOJMXOROSFDYQY-DUTUXMCTSA-N 0 0 475.703 4.015 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3cc(C)cs3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC001315548561 1064561357 /nfs/dbraw/zinc/56/13/57/1064561357.db2.gz BBZWLLBLMBMUNR-LJQANCHMSA-N 0 0 453.612 4.219 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3csc(Br)c3)n2CC[C@@H]2COCCO2)c1 ZINC001315548972 1064562737 /nfs/dbraw/zinc/56/27/37/1064562737.db2.gz IRTDTWGKZBJYQW-GOSISDBHSA-N 0 0 493.427 4.220 20 0 JIADRN COc1cccc(-c2nnc(N(C)C[C@@H](c3cccs3)N3CCOCC3)n2CCOC(C)(C)C)c1 ZINC001315549257 1064563794 /nfs/dbraw/zinc/56/37/94/1064563794.db2.gz GSTVOPZVUFMMBG-QFIPXVFZSA-N 0 0 499.681 4.340 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3ccc(C)o3)n2CC(F)(F)C2(OC)CCOCC2)c1 ZINC001315549734 1064565057 /nfs/dbraw/zinc/56/50/57/1064565057.db2.gz SZJVZACMGHTDDH-UHFFFAOYSA-N 0 0 476.524 4.322 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001315549710 1064565144 /nfs/dbraw/zinc/56/51/44/1064565144.db2.gz SCBDXDSHXMGDOX-UHFFFAOYSA-N 0 0 474.531 4.259 20 0 JIADRN COc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H]2CCOC[C@@H]2OC)c1 ZINC001315550964 1064567881 /nfs/dbraw/zinc/56/78/81/1064567881.db2.gz CDKYMVNJERMQPO-RDJZCZTQSA-N 0 0 497.543 4.117 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCOc2ccc(Cl)cn2)c1 ZINC001315554499 1064572991 /nfs/dbraw/zinc/57/29/91/1064572991.db2.gz WFHLFHPUTWQRKS-KBXCAEBGSA-N 0 0 497.905 4.237 20 0 JIADRN COc1cccc(-c2nnc(N3CCC(Cn4cc(C)cn4)CC3)n2C[C@H](OC)C(C)C)c1 ZINC001315557352 1064577598 /nfs/dbraw/zinc/57/75/98/1064577598.db2.gz JSGMXEMOXTYICX-QHCPKHFHSA-N 0 0 452.603 4.046 20 0 JIADRN COc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCCCC2(F)F)c1 ZINC001315558223 1064580290 /nfs/dbraw/zinc/58/02/90/1064580290.db2.gz QQZBEJRAAJNOIO-LJQANCHMSA-N 0 0 461.557 4.261 20 0 JIADRN COc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC001315558548 1064580905 /nfs/dbraw/zinc/58/09/05/1064580905.db2.gz YIJAVTRGGIEQIM-MRXNPFEDSA-N 0 0 464.397 4.112 20 0 JIADRN 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JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001316287611 1066045380 /nfs/dbraw/zinc/04/53/80/1066045380.db2.gz RFHRRDMQFOEDEM-FUDKSRODSA-N 0 0 499.656 4.171 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC(C)(C)C(C)C ZINC001316288492 1066046867 /nfs/dbraw/zinc/04/68/67/1066046867.db2.gz OLMLRGDQNQOHLB-URXFXBBRSA-N 0 0 486.657 4.307 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OCCC(C)C)CC2)n1Cc1ccc(F)c(F)c1 ZINC001316288657 1066047220 /nfs/dbraw/zinc/04/72/20/1066047220.db2.gz UMZRQJMJVSEYMC-CVDCTZTESA-N 0 0 478.584 4.360 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](OCC(C)C)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001316288812 1066047453 /nfs/dbraw/zinc/04/74/53/1066047453.db2.gz YHGZXQVPTOXNNL-JBACZVJFSA-N 0 0 491.702 4.250 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCc1sccc1C ZINC001316290057 1066049279 /nfs/dbraw/zinc/04/92/79/1066049279.db2.gz BNFXWBWHDDXPQD-ZJOUEHCJSA-N 0 0 462.660 4.399 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1CCc1cc(C)ccc1OC ZINC001316290861 1066050339 /nfs/dbraw/zinc/05/03/39/1066050339.db2.gz OZKZCIBULKXUIS-ZJOUEHCJSA-N 0 0 464.557 4.043 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCc1ccc(OC)cc1OC ZINC001316290862 1066050380 /nfs/dbraw/zinc/05/03/80/1066050380.db2.gz PAOIJADLXMEFFT-UEXGIBASSA-N 0 0 498.546 4.041 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccccc1Br ZINC001316291163 1066051745 /nfs/dbraw/zinc/05/17/45/1066051745.db2.gz DXVXJVDHNUOAKQ-QRFRQXIXSA-N 0 0 463.420 4.439 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1c(F)cccc1SC ZINC001316291238 1066051767 /nfs/dbraw/zinc/05/17/67/1066051767.db2.gz QPLLZHYBPDBSGE-VCBZYWHSSA-N 0 0 470.561 4.393 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC1CCC(OC)CC1 ZINC001316291323 1066052027 /nfs/dbraw/zinc/05/20/27/1066052027.db2.gz RTNRTQUVORDYSO-DHRHBVOQSA-N 0 0 474.568 4.376 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC3(CCCC3)C2)n1CCCN(C)CC(F)(F)F ZINC001316292041 1066052998 /nfs/dbraw/zinc/05/29/98/1066052998.db2.gz MQKNCBQJYINEKJ-OALUTQOASA-N 0 0 473.584 4.047 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1Cc1ccc(Cl)s1 ZINC001316292884 1066054261 /nfs/dbraw/zinc/05/42/61/1066054261.db2.gz RJIDFDBRVIUMPC-DAYGRLMNSA-N 0 0 457.065 4.487 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccccc1OCC(C)C ZINC001316293269 1066055201 /nfs/dbraw/zinc/05/52/01/1066055201.db2.gz OEKNFUGFPFXBAB-DPPGTGKWSA-N 0 0 486.657 4.481 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H](OC)c1ccc(Cl)cc1 ZINC001316297158 1066058029 /nfs/dbraw/zinc/05/80/29/1066058029.db2.gz GTYLNIRNRVUVNV-QESAQDPVSA-N 0 0 493.048 4.295 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCc1ccccc1F ZINC001316297804 1066058352 /nfs/dbraw/zinc/05/83/52/1066058352.db2.gz PARLQFMOMRXXEX-QYXIYQDXSA-N 0 0 460.594 4.025 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCSCc1ccc(C)cc1 ZINC001316298645 1066059269 /nfs/dbraw/zinc/05/92/69/1066059269.db2.gz YNIDDJLCPOTERX-VABKMULXSA-N 0 0 488.698 4.495 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1ccccc1OC(F)(F)F ZINC001316301158 1066061555 /nfs/dbraw/zinc/06/15/55/1066061555.db2.gz OBTLHDJONSUDJN-MRHSLFKSSA-N 0 0 486.560 4.279 20 0 JIADRN CON(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(=O)NC1CCCCC1 ZINC001316303609 1066063771 /nfs/dbraw/zinc/06/37/71/1066063771.db2.gz YQYGBWCTEJBBIF-UHFFFAOYSA-N 0 0 454.600 4.214 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(-c4ccccc4F)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC[C@H]12 ZINC001316303453 1066063874 /nfs/dbraw/zinc/06/38/74/1066063874.db2.gz ZGNBQPASAASBRX-FMWKFLBASA-N 0 0 487.620 4.306 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCc1ccc(C)c(OC)c1 ZINC001316303823 1066064338 /nfs/dbraw/zinc/06/43/38/1066064338.db2.gz XKYBBKRNKQSOPR-TWWGPRNNSA-N 0 0 478.584 4.289 20 0 JIADRN CON(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001316306336 1066066245 /nfs/dbraw/zinc/06/62/45/1066066245.db2.gz IMNXBXCBKDNLBY-CYBMUJFWSA-N 0 0 486.386 4.347 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001316312471 1066068346 /nfs/dbraw/zinc/06/83/46/1066068346.db2.gz NBXDNARENYRKFS-GOSISDBHSA-N 0 0 475.659 4.368 20 0 JIADRN CON(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001316312734 1066069016 /nfs/dbraw/zinc/06/90/16/1066069016.db2.gz HMQIUEDQEYSXMC-SFHVURJKSA-N 0 0 480.059 4.356 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001316313216 1066069199 /nfs/dbraw/zinc/06/91/99/1066069199.db2.gz VXWNCPHSYPLHKC-RTBURBONSA-N 0 0 461.994 4.223 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccnc(SC)c2)C1 ZINC001316315148 1066071391 /nfs/dbraw/zinc/07/13/91/1066071391.db2.gz ZKFOZIHHUGAAFM-QGZVFWFLSA-N 0 0 460.401 4.098 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2)C1 ZINC001316317131 1066072960 /nfs/dbraw/zinc/07/29/60/1066072960.db2.gz QBSNLZWFIUAPLF-FCHUYYIVSA-N 0 0 469.630 4.169 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H](C)c2ccccc2)C1 ZINC001316317505 1066073583 /nfs/dbraw/zinc/07/35/83/1066073583.db2.gz DNIBFQCGPDFMKP-KSEOMHKRSA-N 0 0 485.629 4.005 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H](C)c2ccccc2)C1 ZINC001316317506 1066073626 /nfs/dbraw/zinc/07/36/26/1066073626.db2.gz DNIBFQCGPDFMKP-NNWRFLSQSA-N 0 0 485.629 4.005 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCN(C)CC(F)(F)F)C1 ZINC001316322650 1066078739 /nfs/dbraw/zinc/07/87/39/1066078739.db2.gz QOPAMDJHAAUPGK-AEFFLSMTSA-N 0 0 489.970 4.408 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)c2ccc(F)cc2)C1 ZINC001316322744 1066078764 /nfs/dbraw/zinc/07/87/64/1066078764.db2.gz SRMFHMPAHQJNGS-KSSFIOAISA-N 0 0 462.367 4.214 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@](C)(O)c2ccco2)C1 ZINC001316322980 1066078939 /nfs/dbraw/zinc/07/89/39/1066078939.db2.gz VPIYLMWTUAVXAP-WVMBUTMQSA-N 0 0 474.989 4.414 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001316323633 1066080035 /nfs/dbraw/zinc/08/00/35/1066080035.db2.gz CJJPAJRIEQANOI-AEFFLSMTSA-N 0 0 475.659 4.223 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(F)(F)Br)C1 ZINC001316324707 1066081431 /nfs/dbraw/zinc/08/14/31/1066081431.db2.gz XSBJICFZJLNVHL-JTQLQIEISA-N 0 0 456.118 4.465 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)C1 ZINC001316325622 1066082447 /nfs/dbraw/zinc/08/24/47/1066082447.db2.gz KNXMHLOFQPBQFQ-XPNTWCBSSA-N 0 0 499.656 4.394 20 0 JIADRN CO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001316328227 1066084119 /nfs/dbraw/zinc/08/41/19/1066084119.db2.gz HZBCRIYFJVWIPK-UNMCSNQZSA-N 0 0 485.629 4.038 20 0 JIADRN CO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC001316328712 1066084627 /nfs/dbraw/zinc/08/46/27/1066084627.db2.gz NXWHBQBHFWCGCE-IBGZPJMESA-N 0 0 494.493 4.137 20 0 JIADRN CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCSC2)C[C@@H]1OC ZINC001316329164 1066085167 /nfs/dbraw/zinc/08/51/67/1066085167.db2.gz OZQYYECRTLCQCV-SMOSDQRPSA-N 0 0 467.035 4.065 20 0 JIADRN CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCc2sccc2C)C[C@@H]1OC ZINC001316331540 1066087419 /nfs/dbraw/zinc/08/74/19/1066087419.db2.gz SCPGYHZRFDDWHR-OKILXGFUSA-N 0 0 483.457 4.232 20 0 JIADRN CO[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CC(C)C)CC2)C[C@@H]1OC ZINC001316331546 1066087523 /nfs/dbraw/zinc/08/75/23/1066087523.db2.gz SMCSJXAUJOEKBW-KDURUIRLSA-N 0 0 450.530 4.223 20 0 JIADRN CS(=O)(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](C(F)F)C2)CCC1 ZINC001316334768 1066089276 /nfs/dbraw/zinc/08/92/76/1066089276.db2.gz XRIQSQMSUNXMFN-HNNXBMFYSA-N 0 0 458.962 4.047 20 0 JIADRN CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@H]1OC ZINC001316334080 1066089386 /nfs/dbraw/zinc/08/93/86/1066089386.db2.gz PBJVOZGXGNOMNI-QGZVKYPTSA-N 0 0 470.511 4.227 20 0 JIADRN CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccsc2)C1 ZINC001316335110 1066089649 /nfs/dbraw/zinc/08/96/49/1066089649.db2.gz ALLWMDPSOJDBTM-GOSISDBHSA-N 0 0 495.468 4.221 20 0 JIADRN CS(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCc2ccsc2)c1 ZINC001316335178 1066089761 /nfs/dbraw/zinc/08/97/61/1066089761.db2.gz HKJARWOKEJPWOH-QGZVFWFLSA-N 0 0 466.579 4.134 20 0 JIADRN CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCC2(F)F)C1 ZINC001316336113 1066090988 /nfs/dbraw/zinc/09/09/88/1066090988.db2.gz JASKLIFPKNOIAU-SJORKVTESA-N 0 0 470.561 4.313 20 0 JIADRN CS(=O)(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001316343430 1066094686 /nfs/dbraw/zinc/09/46/86/1066094686.db2.gz KBQKELVYSAGCDK-UHFFFAOYSA-N 0 0 499.946 4.074 20 0 JIADRN 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Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(C)c2)cnn1C ZINC001492528297 1066430032 /nfs/dbraw/zinc/43/00/32/1066430032.db2.gz KCLRDXLNKRJSON-UHFFFAOYSA-N 0 0 468.403 4.265 20 0 JIADRN Cc1cccc(CCn2c(-c3cccn3C)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001492528659 1066432661 /nfs/dbraw/zinc/43/26/61/1066432661.db2.gz CQJRKDGDXMOCCD-UHFFFAOYSA-N 0 0 464.614 4.328 20 0 JIADRN C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncnn2C(C)(C)C)C[C@@H]1F ZINC001316492693 1066432615 /nfs/dbraw/zinc/43/26/15/1066432615.db2.gz VOEQGKIFPVBGOR-XLIONFOSSA-N 0 0 469.609 4.344 20 0 JIADRN C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001316493648 1066436032 /nfs/dbraw/zinc/43/60/32/1066436032.db2.gz CCTIPUZHMWGHEH-LSTHTHJFSA-N 0 0 459.566 4.145 20 0 JIADRN Cc1cccc(CCn2c(-c3cccc(Br)c3)nnc2N2CCC(CCC(N)=O)CC2)n1 ZINC001492529085 1066437797 /nfs/dbraw/zinc/43/77/97/1066437797.db2.gz YVUYNMQIEUBFQY-UHFFFAOYSA-N 0 0 497.441 4.136 20 0 JIADRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NC[C@@H]1CCOC1 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/nfs/dbraw/zinc/44/91/11/1066449111.db2.gz GXCYFSAFRLIDNP-MRXNPFEDSA-N 0 0 472.540 4.092 20 0 JIADRN C[C@H](Cn1c(CC2CC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001316498343 1066452799 /nfs/dbraw/zinc/45/27/99/1066452799.db2.gz OPFOTLWBONIKMF-AEFFLSMTSA-N 0 0 476.021 4.455 20 0 JIADRN C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC001316498422 1066453639 /nfs/dbraw/zinc/45/36/39/1066453639.db2.gz QRFPTIMCWAUWEH-WIYYLYMNSA-N 0 0 487.620 4.174 20 0 JIADRN COc1ccc(Cn2nccc2NC(=O)CSc2ccc(Br)cc2)c(OC)c1OC ZINC001337028694 1066454373 /nfs/dbraw/zinc/45/43/73/1066454373.db2.gz FTVUNVOWKLAPDI-UHFFFAOYSA-N 0 0 492.395 4.451 20 0 JIADRN Cc1cc(C(=O)COC(=O)CCc2nc(-c3ccccc3)no2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC001337028737 1066454743 /nfs/dbraw/zinc/45/47/43/1066454743.db2.gz KNEMWSNWROHXLQ-UHFFFAOYSA-N 0 0 487.512 4.291 20 0 JIADRN C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)CCOC(C)(C)C)NC(=O)OC(C)(C)C ZINC001316498675 1066455342 /nfs/dbraw/zinc/45/53/42/1066455342.db2.gz 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C[C@@H]1CN(CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCC(F)(F)F)C[C@H](C)O1 ZINC001316503114 1066467281 /nfs/dbraw/zinc/46/72/81/1066467281.db2.gz LRJMRXUBHYDEAX-CALCHBBNSA-N 0 0 473.971 4.410 20 0 JIADRN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)Nc1ccc(Cl)cc1C(N)=O ZINC001337245260 1066468586 /nfs/dbraw/zinc/46/85/86/1066468586.db2.gz QQZUORXCJWWVFE-UHFFFAOYSA-N 0 0 491.935 4.455 20 0 JIADRN C[C@@H]1CN(CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC001316503646 1066470440 /nfs/dbraw/zinc/47/04/40/1066470440.db2.gz RPDXUZLVMDTQHS-FGTMMUONSA-N 0 0 483.554 4.128 20 0 JIADRN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001337323988 1066474033 /nfs/dbraw/zinc/47/40/33/1066474033.db2.gz ZGUHUEMWEAMXTH-UHFFFAOYSA-N 0 0 455.234 4.201 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(Br)c2)n1CCNC(=O)OC(C)(C)C ZINC001316504584 1066475980 /nfs/dbraw/zinc/47/59/80/1066475980.db2.gz GWZYNNJZSFSUMG-HNNXBMFYSA-N 0 0 494.434 4.236 20 0 JIADRN 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CCc1ccc([C@@H](NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c2cccc(F)c2)cc1 ZINC001337446745 1066483922 /nfs/dbraw/zinc/48/39/22/1066483922.db2.gz RDQGSIVWPXOSTP-OFNKIYASSA-N 0 0 478.490 4.350 20 0 JIADRN COc1cc(C(=O)N2CCN(C(=O)c3nc(-c4ccc(F)cc4)n4c3CCCCC4)CC2)ccc1C ZINC001337490877 1066486322 /nfs/dbraw/zinc/48/63/22/1066486322.db2.gz YHLLHCPFKBHXDP-UHFFFAOYSA-N 0 0 490.579 4.331 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1OCCC1(C)C ZINC001316508486 1066487845 /nfs/dbraw/zinc/48/78/45/1066487845.db2.gz QWCYBZGVVUZYEZ-UFYCRDLUSA-N 0 0 491.677 4.211 20 0 JIADRN C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCO2)n1CCc1ccc(Br)s1 ZINC001316508461 1066488111 /nfs/dbraw/zinc/48/81/11/1066488111.db2.gz VDYWKTLDRTTYEL-DZGCQCFKSA-N 0 0 455.422 4.200 20 0 JIADRN FC(F)(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001316508414 1066488134 /nfs/dbraw/zinc/48/81/34/1066488134.db2.gz KAYYVRMOYWYACH-DZGCQCFKSA-N 0 0 477.737 4.001 20 0 JIADRN 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JIADRN O=C(CCc1cc(F)ccc1Br)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001355860535 1067593626 /nfs/dbraw/zinc/59/36/26/1067593626.db2.gz DMETWBLKHCCCSR-UHFFFAOYSA-N 0 0 456.315 4.485 20 0 JIADRN O=C(Nc1nc(-c2cccc(-n3cnnn3)c2)cs1)c1ccc(Cl)nc1C(F)(F)F ZINC001355863715 1067594057 /nfs/dbraw/zinc/59/40/57/1067594057.db2.gz RHBNWQMNCLXUBS-UHFFFAOYSA-N 0 0 451.821 4.105 20 0 JIADRN COc1ccc(CCNC(=S)N[C@@H]2CCOc3ccc(OC(F)(F)F)cc32)cc1OC ZINC001200092743 1067594476 /nfs/dbraw/zinc/59/44/76/1067594476.db2.gz GRNRLJMGIKXYRB-MRXNPFEDSA-N 0 0 456.486 4.133 20 0 JIADRN Cc1cc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cc(C)n1 ZINC001352635764 1067595255 /nfs/dbraw/zinc/59/52/55/1067595255.db2.gz IORBGWFHFXMMOL-UHFFFAOYSA-N 0 0 455.444 4.103 20 0 JIADRN CN(CCOc1cccc(Cl)c1)C(=O)c1cc(F)c(F)cc1I ZINC001352637915 1067595711 /nfs/dbraw/zinc/59/57/11/1067595711.db2.gz ZOBSHMFLTJQDAZ-UHFFFAOYSA-N 0 0 451.638 4.374 20 0 JIADRN CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cs1 ZINC001352639450 1067596383 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0 JIADRN COC(=O)[C@H](Cc1ccc(Cl)cn1)NC(=S)Nc1c(C)cc(Br)cc1C ZINC001200242389 1067883981 /nfs/dbraw/zinc/88/39/81/1067883981.db2.gz QAFWNJBQTZOFJF-HNNXBMFYSA-N 0 0 456.793 4.185 20 0 JIADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001357669394 1067884346 /nfs/dbraw/zinc/88/43/46/1067884346.db2.gz CDEAIYJNUCEFKR-IFMALSPDSA-N 0 0 457.412 4.368 20 0 JIADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001357669670 1067884462 /nfs/dbraw/zinc/88/44/62/1067884462.db2.gz DBYYVPCNLOXSBL-GFCCVEGCSA-N 0 0 459.171 4.267 20 0 JIADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC001200243492 1067884584 /nfs/dbraw/zinc/88/45/84/1067884584.db2.gz ICCGVCDLILTYMS-SFHVURJKSA-N 0 0 457.596 4.345 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccco3)CC2)c(C(F)(F)F)c1 ZINC001300215518 1067885673 /nfs/dbraw/zinc/88/56/73/1067885673.db2.gz AMMZFRZCUVRBKH-UHFFFAOYSA-N 0 0 491.514 4.108 20 0 JIADRN CCOC(=O)[C@@H](NC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccc(OC)c(Br)c1 ZINC001357679706 1067885648 /nfs/dbraw/zinc/88/56/48/1067885648.db2.gz FZEKCSQECDYHDN-GOEBONIOSA-N 0 0 453.160 4.152 20 0 JIADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC001357680653 1067885690 /nfs/dbraw/zinc/88/56/90/1067885690.db2.gz PKERUUGBZMNBHY-UHFFFAOYSA-N 0 0 455.562 4.354 20 0 JIADRN Cc1ccc(NC(=O)CSCC(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)cc1 ZINC001357680461 1067885722 /nfs/dbraw/zinc/88/57/22/1067885722.db2.gz PGRGOISDNWKAQY-UHFFFAOYSA-N 0 0 450.608 4.349 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](n3cc(C)cn3)C2)cc1OC(F)F ZINC001300215773 1067885940 /nfs/dbraw/zinc/88/59/40/1067885940.db2.gz HHDBGCCGEWOPDO-LJQANCHMSA-N 0 0 474.556 4.481 20 0 JIADRN CCCc1c(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cnn1-c1ccc(C)cc1 ZINC001357685528 1067886459 /nfs/dbraw/zinc/88/64/59/1067886459.db2.gz IFHSDNFHCHCOKI-HXUWFJFHSA-N 0 0 459.594 4.490 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1Cl ZINC001300216146 1067886418 /nfs/dbraw/zinc/88/64/18/1067886418.db2.gz CSEVLWYJQPICMI-FQEVSTJZSA-N 0 0 497.043 4.105 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c(OC)n1 ZINC001300216250 1067886489 /nfs/dbraw/zinc/88/64/89/1067886489.db2.gz DTBRUQRYMBPGPQ-OAQYLSRUSA-N 0 0 495.624 4.122 20 0 JIADRN CSc1ccccc1NC(=O)CN(C)C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001357687014 1067886697 /nfs/dbraw/zinc/88/66/97/1067886697.db2.gz HKWYKNFNOIFHJE-UHFFFAOYSA-N 0 0 450.351 4.007 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3F)nnc2N2C[C@H](C)CC(C)(C)C2)c(OC)n1 ZINC001300217009 1067887667 /nfs/dbraw/zinc/88/76/67/1067887667.db2.gz QYYWQDOOVPWFAO-QGZVFWFLSA-N 0 0 453.562 4.341 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1Cl ZINC001300217088 1067887780 /nfs/dbraw/zinc/88/77/80/1067887780.db2.gz UWAXVLIXAAHRER-NRFANRHFSA-N 0 0 455.990 4.226 20 0 JIADRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC000490092647 1067887956 /nfs/dbraw/zinc/88/79/56/1067887956.db2.gz LTFGGTZERFMSNY-OAQYLSRUSA-N 0 0 486.663 4.349 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CCc2ccc(Br)cc2)cn1 ZINC001300217467 1067888273 /nfs/dbraw/zinc/88/82/73/1067888273.db2.gz BERVNTSWXANETN-UHFFFAOYSA-N 0 0 493.409 4.157 20 0 JIADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(C4CC4)[nH]n3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000490097504 1067888497 /nfs/dbraw/zinc/88/84/97/1067888497.db2.gz UCBOCUIZNOMGCP-RXFWQSSRSA-N 0 0 490.560 4.436 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC001300217888 1067888891 /nfs/dbraw/zinc/88/88/91/1067888891.db2.gz JCTJRRQPTRPEOW-MRXNPFEDSA-N 0 0 450.493 4.191 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC=C(Br)C2)cc1 ZINC001300218437 1067889716 /nfs/dbraw/zinc/88/97/16/1067889716.db2.gz FABXQHKVPRUADI-UHFFFAOYSA-N 0 0 460.401 4.180 20 0 JIADRN Cc1cc(F)c(NC(=O)c2nc(Br)ccc2F)c(I)c1 ZINC001357708293 1067889703 /nfs/dbraw/zinc/88/97/03/1067889703.db2.gz IQFDIUBGELXEGC-UHFFFAOYSA-N 0 0 453.024 4.288 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC001300218637 1067890049 /nfs/dbraw/zinc/89/00/49/1067890049.db2.gz XJYYALSIHCMLFE-JTJFVBHCSA-N 0 0 496.662 4.021 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1O ZINC001300218699 1067890316 /nfs/dbraw/zinc/89/03/16/1067890316.db2.gz KWIUGWCPAHPHNR-CZUORRHYSA-N 0 0 452.502 4.328 20 0 JIADRN COc1cc(CNc2ccc3nnc(-c4ccccc4F)n3n2)cc(Br)c1OC ZINC000502312393 1067890562 /nfs/dbraw/zinc/89/05/62/1067890562.db2.gz KQQLMKSOFXVBKR-UHFFFAOYSA-N 0 0 458.291 4.322 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CCc2cnccn2)c(C(F)(F)F)c1 ZINC001300219064 1067890772 /nfs/dbraw/zinc/89/07/72/1067890772.db2.gz VLAJJDOFRBQOKX-UHFFFAOYSA-N 0 0 488.539 4.475 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1F ZINC001300219180 1067890797 /nfs/dbraw/zinc/89/07/97/1067890797.db2.gz ZHVJDDLPWVOHKO-UHFFFAOYSA-N 0 0 470.492 4.020 20 0 JIADRN Cn1c(C(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)cc2cc(Br)cnc21 ZINC001357719267 1067891047 /nfs/dbraw/zinc/89/10/47/1067891047.db2.gz HZJRANFYCPKJDK-GOSISDBHSA-N 0 0 458.356 4.224 20 0 JIADRN Cc1ccsc1CCNC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC001357720836 1067891455 /nfs/dbraw/zinc/89/14/55/1067891455.db2.gz ZVIGYASYJPZDQS-UHFFFAOYSA-N 0 0 454.371 4.022 20 0 JIADRN CCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(OC2CCCC2)c1 ZINC001353180196 1067891517 /nfs/dbraw/zinc/89/15/17/1067891517.db2.gz LFSFBQSKSRKBBX-UHFFFAOYSA-N 0 0 458.580 4.490 20 0 JIADRN CC(C)(C)OC(=O)N1CCCCN1C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001300220028 1067891547 /nfs/dbraw/zinc/89/15/47/1067891547.db2.gz QUZPIWJVQRDTMY-UHFFFAOYSA-N 0 0 451.567 4.467 20 0 JIADRN O=C(Nc1cc(F)c(I)c(F)c1)c1c(C(F)F)nc2n1CCCC2 ZINC001357731292 1067892204 /nfs/dbraw/zinc/89/22/04/1067892204.db2.gz XXNDBQYVRNNAHN-UHFFFAOYSA-N 0 0 453.177 4.292 20 0 JIADRN Cc1ccc(-n2ccnc2SCC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1C ZINC001300221059 1067892273 /nfs/dbraw/zinc/89/22/73/1067892273.db2.gz BOIDTJOZBVIUSC-RBUKOAKNSA-N 0 0 458.628 4.485 20 0 JIADRN CCOc1ccc(CCCC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCC ZINC001357735044 1067892488 /nfs/dbraw/zinc/89/24/88/1067892488.db2.gz UHASMXICXMURDE-OAQYLSRUSA-N 0 0 453.583 4.387 20 0 JIADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC2(CCC2)C1 ZINC001357734448 1067892536 /nfs/dbraw/zinc/89/25/36/1067892536.db2.gz WUCOGDALADRGRS-UHFFFAOYSA-N 0 0 455.599 4.157 20 0 JIADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001357737580 1067892927 /nfs/dbraw/zinc/89/29/27/1067892927.db2.gz JEXAYTKJORRMRY-PBEJRMEISA-N 0 0 459.384 4.194 20 0 JIADRN CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001357744889 1067893636 /nfs/dbraw/zinc/89/36/36/1067893636.db2.gz FVVCAHVMYPLCNG-KRWDZBQOSA-N 0 0 450.988 4.477 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2cscn2)cn1 ZINC001300222803 1067894058 /nfs/dbraw/zinc/89/40/58/1067894058.db2.gz DRIDGWGPNDFHJP-UHFFFAOYSA-N 0 0 450.568 4.019 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c(OC)n1 ZINC001300223026 1067894512 /nfs/dbraw/zinc/89/45/12/1067894512.db2.gz HRUGGDYNCMGART-SANMLTNESA-N 0 0 499.587 4.098 20 0 JIADRN COc1ccc(Cn2c(N(C)Cc3cnn(C)c3C)nnc2C(C)(C)C)cc1Br ZINC001300223084 1067894549 /nfs/dbraw/zinc/89/45/49/1067894549.db2.gz BELDAHNXDDWYQY-UHFFFAOYSA-N 0 0 461.408 4.073 20 0 JIADRN COc1ccc(Cn2c(CSc3ccccc3OC)nnc2N2CC(C)(C)OC[C@@H]2C)c(OC)n1 ZINC001300223315 1067894718 /nfs/dbraw/zinc/89/47/18/1067894718.db2.gz DBIXWMLYRPTWDB-KRWDZBQOSA-N 0 0 499.637 4.043 20 0 JIADRN COc1ccc(Cn2c(N(C)C[C@H](c3cccs3)N3CCOCC3)nnc2C(C)(C)C)cc1F ZINC001300223610 1067895014 /nfs/dbraw/zinc/89/50/14/1067895014.db2.gz HDHZJSPCMCJFFE-HXUWFJFHSA-N 0 0 487.645 4.343 20 0 JIADRN COc1ccc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)Cc2cnccn2)cn1 ZINC001300223919 1067895291 /nfs/dbraw/zinc/89/52/91/1067895291.db2.gz JBBBWFJWLHQJFF-UHFFFAOYSA-N 0 0 467.986 4.102 20 0 JIADRN COc1ccc(Cn2c(N(C)C[C@H]3CCCO3)nnc2[C@]2(OC(C)C)CCOC2)c(C(F)(F)F)c1 ZINC001300224282 1067895895 /nfs/dbraw/zinc/89/58/95/1067895895.db2.gz PQBJBGBWZCDCKS-XXBNENTESA-N 0 0 498.546 4.010 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(C)C)C2)c(OC)n1 ZINC001300224400 1067896117 /nfs/dbraw/zinc/89/61/17/1067896117.db2.gz YGWJEUXHAKPGDB-FQEVSTJZSA-N 0 0 465.598 4.498 20 0 JIADRN COc1ccc(Cn2c(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)cn1 ZINC001300224419 1067896124 /nfs/dbraw/zinc/89/61/24/1067896124.db2.gz PVBGNHOWOACVHM-UHFFFAOYSA-N 0 0 472.634 4.111 20 0 JIADRN COc1ccc(Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C(C)(C)C)C2)c(OC)n1 ZINC001300224502 1067896347 /nfs/dbraw/zinc/89/63/47/1067896347.db2.gz SCJUZVOVHOQYAA-LJQANCHMSA-N 0 0 481.597 4.199 20 0 JIADRN O=C(Cc1cccc2cnccc21)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001357769822 1067896723 /nfs/dbraw/zinc/89/67/23/1067896723.db2.gz ANFCFIYVYHQYTE-UHFFFAOYSA-N 0 0 452.352 4.417 20 0 JIADRN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1I)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001357770612 1067896836 /nfs/dbraw/zinc/89/68/36/1067896836.db2.gz DDAQGWNVTOJLBN-JKTDJZPLSA-N 0 0 465.306 4.451 20 0 JIADRN COc1cc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)cc(Cl)c1OCCC(C)C ZINC001353196250 1067897155 /nfs/dbraw/zinc/89/71/55/1067897155.db2.gz PBLDAWJSOZXGKG-QAPCUYQASA-N 0 0 457.036 4.449 20 0 JIADRN COCCN(CCCc1ccccc1)C(=O)c1ncc(Br)cc1Br ZINC001357771811 1067897159 /nfs/dbraw/zinc/89/71/59/1067897159.db2.gz UIXMEUXXKPGDOI-UHFFFAOYSA-N 0 0 456.178 4.328 20 0 JIADRN Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)nn1-c1ccc(Cl)cc1Cl ZINC001357772400 1067897457 /nfs/dbraw/zinc/89/74/57/1067897457.db2.gz VMDQIKQMMJUECW-CYBMUJFWSA-N 0 0 457.317 4.419 20 0 JIADRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001353197132 1067897478 /nfs/dbraw/zinc/89/74/78/1067897478.db2.gz UVOLEGSFLBUNRV-QMTHXVAHSA-N 0 0 458.424 4.280 20 0 JIADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CSC[C@H]3C(=O)N[C@@H](C)C(C)C)c12 ZINC001353197427 1067897511 /nfs/dbraw/zinc/89/75/11/1067897511.db2.gz XFQNSXVREICEOT-KSSFIOAISA-N 0 0 456.568 4.111 20 0 JIADRN CCOC(=O)C1CCC(CC(=O)NC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC001357776475 1067897847 /nfs/dbraw/zinc/89/78/47/1067897847.db2.gz NLRXNORNGJZCRS-UHFFFAOYSA-N 0 0 452.389 4.331 20 0 JIADRN O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001357776241 1067897852 /nfs/dbraw/zinc/89/78/52/1067897852.db2.gz LFELLWLUBJRTRY-CVEARBPZSA-N 0 0 450.295 4.319 20 0 JIADRN CN(C(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccc(S(C)(=O)=O)cc1 ZINC001357776195 1067897933 /nfs/dbraw/zinc/89/79/33/1067897933.db2.gz JPVUIRXHTTUTHS-UHFFFAOYSA-N 0 0 451.367 4.253 20 0 JIADRN COC(=O)c1cnc(C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1 ZINC001357776721 1067898160 /nfs/dbraw/zinc/89/81/60/1067898160.db2.gz STIISNBDLNIQJK-UHFFFAOYSA-N 0 0 458.396 4.095 20 0 JIADRN COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1OC1CCCC1 ZINC001357778123 1067898200 /nfs/dbraw/zinc/89/82/00/1067898200.db2.gz GDPLGDOIXMPEKL-JOCHJYFZSA-N 0 0 458.986 4.473 20 0 JIADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC001357776860 1067898245 /nfs/dbraw/zinc/89/82/45/1067898245.db2.gz YOKXCSFYWMEKMB-HXUWFJFHSA-N 0 0 453.004 4.137 20 0 JIADRN CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](C)c2ccc(I)cc2)cc1 ZINC001353201874 1067898502 /nfs/dbraw/zinc/89/85/02/1067898502.db2.gz FKQVXCXQYFAJAZ-AWEZNQCLSA-N 0 0 450.320 4.306 20 0 JIADRN CCc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)ccc1Br ZINC001357780174 1067898663 /nfs/dbraw/zinc/89/86/63/1067898663.db2.gz QFBMNWHROJUARJ-HXUWFJFHSA-N 0 0 451.792 4.468 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)[C@@H]2C)cc1 ZINC001300227519 1067898699 /nfs/dbraw/zinc/89/86/99/1067898699.db2.gz FPZZXTXUEARQCX-KVPLUYHFSA-N 0 0 487.670 4.436 20 0 JIADRN CCN(Cc1cccc(NC(=O)Cn2c(C)nc3cc(F)c(F)cc32)c1)C(=O)C(F)(F)F ZINC001353204291 1067898943 /nfs/dbraw/zinc/89/89/43/1067898943.db2.gz VKWBBBDNBHKMQA-UHFFFAOYSA-N 0 0 454.399 4.172 20 0 JIADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(Br)c(F)cc1F 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RSBGXEROVDSFML-MJGOQNOKSA-N 0 0 482.629 4.033 20 0 JIADRN COc1ccc(CCn2c(N3CCC[C@@H](C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1OC ZINC001315466298 1064295787 /nfs/dbraw/zinc/29/57/87/1064295787.db2.gz ZFLNNOONGASSIM-IBVKSMDESA-N 0 0 472.630 4.205 20 0 JIADRN COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)c(Cl)c1OC ZINC001315466685 1064296991 /nfs/dbraw/zinc/29/69/91/1064296991.db2.gz URLZJDONFONJTO-SFHVURJKSA-N 0 0 481.037 4.337 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](C)C2)cc1OC(F)F ZINC001315466795 1064297064 /nfs/dbraw/zinc/29/70/64/1064297064.db2.gz BPFZCIKGFMXAQJ-DLBZAZTESA-N 0 0 477.556 4.197 20 0 JIADRN COc1ccc(CCn2c(C3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC(F)F ZINC001315467025 1064297927 /nfs/dbraw/zinc/29/79/27/1064297927.db2.gz JTHXRJFGSXEAIA-QGZVFWFLSA-N 0 0 493.555 4.112 20 0 JIADRN COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](C)[C@@H]2C)cc1Br ZINC001315467452 1064300256 /nfs/dbraw/zinc/30/02/56/1064300256.db2.gz XOAIDFKTAURVIU-SOLBZPMBSA-N 0 0 463.420 4.421 20 0 JIADRN COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(OC)CC2)cc1OC(F)F ZINC001315467599 1064300800 /nfs/dbraw/zinc/30/08/00/1064300800.db2.gz ZAAHWPXUHDBHAX-DFBJGRDBSA-N 0 0 494.583 4.420 20 0 JIADRN COc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315467899 1064302018 /nfs/dbraw/zinc/30/20/18/1064302018.db2.gz KTCQUODHPOGYNL-WIYYLYMNSA-N 0 0 489.592 4.014 20 0 JIADRN COc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1OC ZINC001315468229 1064302521 /nfs/dbraw/zinc/30/25/21/1064302521.db2.gz HUMLAJJTFHQGJC-UHFFFAOYSA-N 0 0 496.637 4.473 20 0 JIADRN COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(C)(C)C)C2)c(OC)c1OC ZINC001315468140 1064302639 /nfs/dbraw/zinc/30/26/39/1064302639.db2.gz QBSRIIRPSSHPNJ-OAQYLSRUSA-N 0 0 479.625 4.405 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCO[C@@H]2CCCC[C@H]2C)cc1C ZINC001315468860 1064303926 /nfs/dbraw/zinc/30/39/26/1064303926.db2.gz VSBJDGYJGJVIKA-AUSIDOKSSA-N 0 0 469.630 4.063 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCOC[C@@H]2C)cc1OC(F)F ZINC001315470428 1064307688 /nfs/dbraw/zinc/30/76/88/1064307688.db2.gz OOBWJCFQYGHWEX-DOTOQJQBSA-N 0 0 452.546 4.495 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCO[C@H]2CCCC[C@H]2C)cc1C ZINC001315470467 1064307727 /nfs/dbraw/zinc/30/77/27/1064307727.db2.gz PTLXCVJYIAUUND-XXBNENTESA-N 0 0 492.624 4.474 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001315470535 1064308431 /nfs/dbraw/zinc/30/84/31/1064308431.db2.gz LBUPLKZAPQHDMI-RVNGOIKDSA-N 0 0 472.630 4.167 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)cc1C ZINC001315470579 1064308572 /nfs/dbraw/zinc/30/85/72/1064308572.db2.gz MWEHPDABULSLIW-DEOSSOPVSA-N 0 0 460.644 4.168 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NC(C)C)cc1F ZINC001315470847 1064309154 /nfs/dbraw/zinc/30/91/54/1064309154.db2.gz PGWLYFMSFPCOFU-INIZCTEOSA-N 0 0 485.629 4.440 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)c(OC)c1 ZINC001315471602 1064310957 /nfs/dbraw/zinc/31/09/57/1064310957.db2.gz JGVQKMKVXNDKGS-JOCHJYFZSA-N 0 0 483.613 4.030 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)c(OC)c1 ZINC001315471603 1064311908 /nfs/dbraw/zinc/31/19/08/1064311908.db2.gz JGVQKMKVXNDKGS-QFIPXVFZSA-N 0 0 483.613 4.030 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2ncc(C)s2)cc1F ZINC001315472624 1064312799 /nfs/dbraw/zinc/31/27/99/1064312799.db2.gz NTJORMBRFMASLH-AWEZNQCLSA-N 0 0 455.563 4.031 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)OC(C)(C)C)cc1F ZINC001315472758 1064312920 /nfs/dbraw/zinc/31/29/20/1064312920.db2.gz CURRFENKIHAUNF-UHFFFAOYSA-N 0 0 490.967 4.302 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC001315473216 1064315273 /nfs/dbraw/zinc/31/52/73/1064315273.db2.gz GPORJWZJUCILOC-UGKGYDQZSA-N 0 0 450.587 4.221 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)cc1O ZINC001315473651 1064316515 /nfs/dbraw/zinc/31/65/15/1064316515.db2.gz AHSAWIFLJRTXJE-MSOLQXFVSA-N 0 0 450.530 4.348 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCO[C@@H]2C(C)C)c(OC)c1 ZINC001315474109 1064318234 /nfs/dbraw/zinc/31/82/34/1064318234.db2.gz KMDBSBRWQILJBD-NFBKMPQASA-N 0 0 451.571 4.055 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC2CCOCC2)cc1OC(F)F ZINC001315474776 1064321305 /nfs/dbraw/zinc/32/13/05/1064321305.db2.gz NZEHURKTENADRQ-UHFFFAOYSA-N 0 0 473.524 4.403 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1O ZINC001315474779 1064321364 /nfs/dbraw/zinc/32/13/64/1064321364.db2.gz SHBBQRCLKLWOEA-SFHVURJKSA-N 0 0 459.591 4.055 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1O ZINC001315474777 1064321436 /nfs/dbraw/zinc/32/14/36/1064321436.db2.gz SHBBQRCLKLWOEA-GOSISDBHSA-N 0 0 459.591 4.055 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCN(C)CC(F)(F)F)cc1OC ZINC001315474923 1064321949 /nfs/dbraw/zinc/32/19/49/1064321949.db2.gz IMMPXUWOQJIZKH-UHFFFAOYSA-N 0 0 457.541 4.014 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@@H]2C)cc1OC(F)F ZINC001315474960 1064322664 /nfs/dbraw/zinc/32/26/64/1064322664.db2.gz LDINCMFLYKRGFZ-CGTJXYLNSA-N 0 0 450.530 4.465 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCC3)n2CCC(=O)N2CCCCC2)cc1OC(F)F ZINC001315475259 1064323577 /nfs/dbraw/zinc/32/35/77/1064323577.db2.gz BSHKJMQGVKRIFC-UHFFFAOYSA-N 0 0 477.556 4.195 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@H]2C[C@@H]2C)cc1O ZINC001315475319 1064324220 /nfs/dbraw/zinc/32/42/20/1064324220.db2.gz MLYBCIZVTASTHK-UHOSZYNNSA-N 0 0 471.602 4.324 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)cc1OC ZINC001315476017 1064325772 /nfs/dbraw/zinc/32/57/72/1064325772.db2.gz QJMQBAURRMYZAY-GOSISDBHSA-N 0 0 471.627 4.454 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO2)cc1OC(F)F ZINC001315476338 1064327537 /nfs/dbraw/zinc/32/75/37/1064327537.db2.gz WFLDTGTVLYOLRO-INIZCTEOSA-N 0 0 479.915 4.419 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2OCCC2(C)C)cc1OC ZINC001315476280 1064327622 /nfs/dbraw/zinc/32/76/22/1064327622.db2.gz VUDKTSAKEGYVFR-HXUWFJFHSA-N 0 0 471.989 4.462 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCCc2nnc(C)s2)cc1C ZINC001315478361 1064333191 /nfs/dbraw/zinc/33/31/91/1064333191.db2.gz UPDWPNFSSXOPGY-FQEVSTJZSA-N 0 0 456.616 4.266 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c(OC)c1 ZINC001315478815 1064334304 /nfs/dbraw/zinc/33/43/04/1064334304.db2.gz UQKOGEWIUDUCRT-RYRKJORJSA-N 0 0 481.519 4.176 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2nc(C)cs2)cc1OC ZINC001315479130 1064334955 /nfs/dbraw/zinc/33/49/55/1064334955.db2.gz CPHXURKEGIUPRK-UHFFFAOYSA-N 0 0 470.624 4.101 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccsc2)cc1F ZINC001315479330 1064336433 /nfs/dbraw/zinc/33/64/33/1064336433.db2.gz DMENXOBJXXFEPI-DEOSSOPVSA-N 0 0 467.570 4.017 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCn2nc(C)cc2C)cc1C ZINC001315479749 1064337888 /nfs/dbraw/zinc/33/78/88/1064337888.db2.gz OKVMCPLZJBCYCO-UHFFFAOYSA-N 0 0 479.654 4.491 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)cc1OC ZINC001315481058 1064341406 /nfs/dbraw/zinc/34/14/06/1064341406.db2.gz VUOVYYQJGXMDNP-UHFFFAOYSA-N 0 0 467.517 4.171 20 0 JIADRN COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@]2(O)CCSC2)cc1OC(F)F ZINC001315480983 1064341555 /nfs/dbraw/zinc/34/15/55/1064341555.db2.gz UQPSRCYZUIWIKO-HSZRJFAPSA-N 0 0 482.597 4.125 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@H]2C)cc1O ZINC001315481490 1064343016 /nfs/dbraw/zinc/34/30/16/1064343016.db2.gz JGVJFGALGNKWDW-OWYHZJEWSA-N 0 0 471.602 4.055 20 0 JIADRN COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccs2)cc1Br ZINC001315482711 1064346420 /nfs/dbraw/zinc/34/64/20/1064346420.db2.gz FXPOOZLCNMJADB-UHFFFAOYSA-N 0 0 490.427 4.031 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCO2)c(OC)c1 ZINC001315483151 1064348008 /nfs/dbraw/zinc/34/80/08/1064348008.db2.gz KYLSASDWYGJPML-MQSCRBSSSA-N 0 0 472.630 4.419 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(=O)N(C)C)CCCC2)cc1 ZINC001315483338 1064348548 /nfs/dbraw/zinc/34/85/48/1064348548.db2.gz LOAAWAOWYCNTDX-DHIUTWEWSA-N 0 0 497.684 4.490 20 0 JIADRN COc1ccc(Cn2c(C)nnc2N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c(C(F)(F)F)c1 ZINC001315485338 1064354587 /nfs/dbraw/zinc/35/45/87/1064354587.db2.gz CIGVELZYWYEUII-UHFFFAOYSA-N 0 0 488.514 4.221 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC001315485437 1064354703 /nfs/dbraw/zinc/35/47/03/1064354703.db2.gz PFBHACVJYWKHJH-UHFFFAOYSA-N 0 0 468.989 4.362 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1F ZINC001315485691 1064355556 /nfs/dbraw/zinc/35/55/56/1064355556.db2.gz VCGUCMKLJJZCQR-FUHWJXTLSA-N 0 0 461.582 4.337 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CC(C)C)c(OC)n1 ZINC001315486306 1064357723 /nfs/dbraw/zinc/35/77/23/1064357723.db2.gz FTFQVFONANETHP-UHFFFAOYSA-N 0 0 466.405 4.322 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CCCCCO)cn1 ZINC001315486818 1064359161 /nfs/dbraw/zinc/35/91/61/1064359161.db2.gz KGTSRRBEPPCKNR-UHFFFAOYSA-N 0 0 494.821 4.412 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001315486966 1064359822 /nfs/dbraw/zinc/35/98/22/1064359822.db2.gz LJIHCEHSBINDIV-QGZVFWFLSA-N 0 0 471.533 4.146 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)cn1 ZINC001315487088 1064360603 /nfs/dbraw/zinc/36/06/03/1064360603.db2.gz OBNHHIDHAXREDR-UHFFFAOYSA-N 0 0 466.929 4.027 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCCCCO)cc1 ZINC001315487439 1064361092 /nfs/dbraw/zinc/36/10/92/1064361092.db2.gz OCOVMSHIXIZPAC-UHFFFAOYSA-N 0 0 465.417 4.425 20 0 JIADRN COc1ccc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)[C@H](C)CCSC)cn1 ZINC001315487437 1064361239 /nfs/dbraw/zinc/36/12/39/1064361239.db2.gz JYNLBRCKCIHZNW-QGZVFWFLSA-N 0 0 463.611 4.365 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)c(OC)n1 ZINC001315487507 1064362181 /nfs/dbraw/zinc/36/21/81/1064362181.db2.gz KZOKVOPOIPBIAW-UHFFFAOYSA-N 0 0 483.370 4.133 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)OC(C)(C)C2)cc1OC ZINC001315487683 1064362813 /nfs/dbraw/zinc/36/28/13/1064362813.db2.gz DAUSAQPACGJYGL-HNNXBMFYSA-N 0 0 457.962 4.063 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@@H]2CCCCO2)cn1 ZINC001315488201 1064364238 /nfs/dbraw/zinc/36/42/38/1064364238.db2.gz FIOLARCGXOUAAP-SFHVURJKSA-N 0 0 457.962 4.064 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)[C@H](OC)C2)c(F)c1 ZINC001315488160 1064364428 /nfs/dbraw/zinc/36/44/28/1064364428.db2.gz PHSFVTUHNOOHHI-BFUOFWGJSA-N 0 0 478.366 4.093 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)[C@H]2C)cc1F ZINC001315488558 1064365634 /nfs/dbraw/zinc/36/56/34/1064365634.db2.gz PZXYUXCVTSZUBI-CYBMUJFWSA-N 0 0 478.366 4.235 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)cc1Cl ZINC001315488952 1064367251 /nfs/dbraw/zinc/36/72/51/1064367251.db2.gz YOEBLLUQPWXFQO-UHFFFAOYSA-N 0 0 485.032 4.077 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)cn1 ZINC001315488865 1064367475 /nfs/dbraw/zinc/36/74/75/1064367475.db2.gz KTRVXIZHBZJTOP-UHFFFAOYSA-N 0 0 474.874 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@H](C)[C@H]2C)cn1 ZINC001315489596 1064370280 /nfs/dbraw/zinc/37/02/80/1064370280.db2.gz QSAMMWNQIMDRJX-QZTJIDSGSA-N 0 0 451.571 4.428 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](COC(C)C)C2)cn1 ZINC001315489632 1064370380 /nfs/dbraw/zinc/37/03/80/1064370380.db2.gz RWJSJULOEJCMTC-GOSISDBHSA-N 0 0 492.407 4.334 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCS[C@@H](C)C2)cn1 ZINC001315489787 1064371274 /nfs/dbraw/zinc/37/12/74/1064371274.db2.gz UITCBDPBQPJRNX-KRWDZBQOSA-N 0 0 469.611 4.135 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(F)(F)F)c(OC)c1OC ZINC001315490063 1064371747 /nfs/dbraw/zinc/37/17/47/1064371747.db2.gz WROIPQFNIUFQII-UHFFFAOYSA-N 0 0 471.867 4.066 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@H](C(C)C)C2)c(OC)n1 ZINC001315490694 1064374161 /nfs/dbraw/zinc/37/41/61/1064374161.db2.gz OXKQJIBGDPRTIC-SFHVURJKSA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001315490898 1064374182 /nfs/dbraw/zinc/37/41/82/1064374182.db2.gz GAOJVZFENNCCNX-KBXCAEBGSA-N 0 0 461.994 4.215 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCSCC2)cc1Br ZINC001315490835 1064374244 /nfs/dbraw/zinc/37/42/44/1064374244.db2.gz DHPBOAUDNAAEEA-UHFFFAOYSA-N 0 0 460.401 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H]2CCCOC2)cc1Br ZINC001315491356 1064375912 /nfs/dbraw/zinc/37/59/12/1064375912.db2.gz LBLAYWMXKXQCFT-GOSISDBHSA-N 0 0 486.414 4.331 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1F ZINC001315492157 1064377973 /nfs/dbraw/zinc/37/79/73/1064377973.db2.gz XRRGOUPXZXKRAO-LIRRHRJNSA-N 0 0 465.451 4.001 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315492969 1064379341 /nfs/dbraw/zinc/37/93/41/1064379341.db2.gz KJAZPTBJUIIMOU-OXQOHEQNSA-N 0 0 473.593 4.481 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1F ZINC001315494104 1064382581 /nfs/dbraw/zinc/38/25/81/1064382581.db2.gz GPSSIMAEFMMYFJ-KPFFTGBYSA-N 0 0 491.583 4.383 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001315494395 1064383819 /nfs/dbraw/zinc/38/38/19/1064383819.db2.gz JYVHGZNNSZXSQW-UHFFFAOYSA-N 0 0 471.602 4.058 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1OC(F)F ZINC001315495700 1064387725 /nfs/dbraw/zinc/38/77/25/1064387725.db2.gz KJDZXBXBXDKNLN-GJZGRUSLSA-N 0 0 476.446 4.219 20 0 JIADRN COc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(C)(C)CC2)cn1 ZINC001315496767 1064389399 /nfs/dbraw/zinc/38/93/99/1064389399.db2.gz UMVBAKPKXXRBKD-UHFFFAOYSA-N 0 0 484.645 4.471 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(C)=O)C3(CCCCC3)C2)c(OC)c1 ZINC001315498042 1064392759 /nfs/dbraw/zinc/39/27/59/1064392759.db2.gz DEXJKVSDCDKTTI-UHFFFAOYSA-N 0 0 483.657 4.304 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)c(OC)n1 ZINC001315498516 1064393588 /nfs/dbraw/zinc/39/35/88/1064393588.db2.gz LEAXXOFUPVEYCC-UHFFFAOYSA-N 0 0 478.641 4.271 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3F)nnc2N(C)[C@@H](C)c2ccco2)c(OC)n1 ZINC001315498683 1064394677 /nfs/dbraw/zinc/39/46/77/1064394677.db2.gz GGPJOQFISSVASX-INIZCTEOSA-N 0 0 451.502 4.259 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315499357 1064396226 /nfs/dbraw/zinc/39/62/26/1064396226.db2.gz RBXXMQVAWONFKO-QGZVFWFLSA-N 0 0 461.582 4.166 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccn2)c(C(F)(F)F)c1 ZINC001315500989 1064402109 /nfs/dbraw/zinc/40/21/09/1064402109.db2.gz ITZTWXOLYSIHRG-UHFFFAOYSA-N 0 0 468.483 4.371 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)cc1OC(F)F ZINC001315500949 1064402129 /nfs/dbraw/zinc/40/21/29/1064402129.db2.gz IEKIEZPCLMWNMV-GOSISDBHSA-N 0 0 475.565 4.254 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@]3(C2)CCCOC3)cc1Br ZINC001315501274 1064402785 /nfs/dbraw/zinc/40/27/85/1064402785.db2.gz UEBFUMRHPNSRDS-JOCHJYFZSA-N 0 0 463.420 4.303 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(OC)c1OC ZINC001315501722 1064403765 /nfs/dbraw/zinc/40/37/65/1064403765.db2.gz WJVWUTRGAZCSKC-CALCHBBNSA-N 0 0 487.551 4.066 20 0 JIADRN COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C)s2)cc1Cl ZINC001315501933 1064404275 /nfs/dbraw/zinc/40/42/75/1064404275.db2.gz IATCPGDMDPKPQE-UHFFFAOYSA-N 0 0 460.003 4.117 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(Cl)ccn2)c(F)c1 ZINC001315502017 1064404463 /nfs/dbraw/zinc/40/44/63/1064404463.db2.gz YWKUNCXUSUMCED-UHFFFAOYSA-N 0 0 452.921 4.145 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(F)c1 ZINC001315501826 1064404477 /nfs/dbraw/zinc/40/44/77/1064404477.db2.gz DBLPJRCVFDGVRY-FQEVSTJZSA-N 0 0 471.621 4.338 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1O ZINC001315502440 1064406063 /nfs/dbraw/zinc/40/60/63/1064406063.db2.gz VTFZKZOFYMWIHI-SFHVURJKSA-N 0 0 485.629 4.219 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H]2CSC)cc1OC ZINC001315502692 1064406835 /nfs/dbraw/zinc/40/68/35/1064406835.db2.gz DSCLNDRKASKKSL-SFHVURJKSA-N 0 0 459.641 4.031 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N(C)C2CCC(NC(C)=O)CC2)c(C(F)(F)F)c1 ZINC001315502689 1064406872 /nfs/dbraw/zinc/40/68/72/1064406872.db2.gz AVHRNYBIHPXXPJ-UHFFFAOYSA-N 0 0 479.547 4.190 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H]2CSC)c(OC)c1OC ZINC001315502763 1064406904 /nfs/dbraw/zinc/40/69/04/1064406904.db2.gz BQGUMNVAHUXRPR-SFHVURJKSA-N 0 0 474.652 4.336 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(OC)CC2)c(OC)c1OC ZINC001315502882 1064407261 /nfs/dbraw/zinc/40/72/61/1064407261.db2.gz FEZMKQFINBGVGR-VWLOTQADSA-N 0 0 486.638 4.400 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC(C)(C)C2)c(OC)c1OC ZINC001315503004 1064407363 /nfs/dbraw/zinc/40/73/63/1064407363.db2.gz JUAHEMLDNPGSQZ-UHFFFAOYSA-N 0 0 471.627 4.334 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccn2)cc1OC(F)F ZINC001315503007 1064407432 /nfs/dbraw/zinc/40/74/32/1064407432.db2.gz JVJHAODHSOSQNV-UHFFFAOYSA-N 0 0 486.548 4.324 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC001315503378 1064408987 /nfs/dbraw/zinc/40/89/87/1064408987.db2.gz MCLXJIOXPLRKNS-GOSISDBHSA-N 0 0 483.638 4.064 20 0 JIADRN COc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CCOC(C)(C)C)cn1 ZINC001315503326 1064409203 /nfs/dbraw/zinc/40/92/03/1064409203.db2.gz CTIOUNFBGODSRR-UHFFFAOYSA-N 0 0 453.587 4.177 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(OC)C2)c(OC)c1OC ZINC001315504010 1064411734 /nfs/dbraw/zinc/41/17/34/1064411734.db2.gz TYKUOZMVWPWKJO-DEOSSOPVSA-N 0 0 472.611 4.010 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@H](C)[C@@H]2C)c(OC)c1OC ZINC001315503984 1064411765 /nfs/dbraw/zinc/41/17/65/1064411765.db2.gz SEANGJUAJJUFES-JKSUJKDBSA-N 0 0 474.652 4.335 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(F)cc2F)c(OC)n1 ZINC001315504136 1064412789 /nfs/dbraw/zinc/41/27/89/1064412789.db2.gz YPCPVAHRMBMWFC-UHFFFAOYSA-N 0 0 471.533 4.306 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)c(OC)c1 ZINC001315504352 1064413508 /nfs/dbraw/zinc/41/35/08/1064413508.db2.gz ZEESHPPRYZRYJV-UHFFFAOYSA-N 0 0 458.994 4.100 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1O ZINC001315504291 1064413714 /nfs/dbraw/zinc/41/37/14/1064413714.db2.gz WIJZKJVXFQPSHD-KRWDZBQOSA-N 0 0 499.637 4.139 20 0 JIADRN COc1ccc(COCCCn2c(C(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001315504910 1064417193 /nfs/dbraw/zinc/41/71/93/1064417193.db2.gz MBQQYBAFXCLHQW-FNZWTVRRSA-N 0 0 485.629 4.120 20 0 JIADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CCCCC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001316274313 1066023957 /nfs/dbraw/zinc/02/39/57/1066023957.db2.gz DSHGEKOMGUNYJG-XTJBDQBJSA-N 0 0 460.619 4.136 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1sccc1C ZINC001316274463 1066024465 /nfs/dbraw/zinc/02/44/65/1066024465.db2.gz UDIJNKNVNCYZKH-JNCAVTIUSA-N 0 0 488.679 4.355 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(F)c2)n1C[C@@H](C)c1c(C)noc1C ZINC001316274538 1066024895 /nfs/dbraw/zinc/02/48/95/1066024895.db2.gz QNJNVWNOWURSKX-GHNFSYLKSA-N 0 0 475.540 4.325 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(Br)c2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001316274660 1066025189 /nfs/dbraw/zinc/02/51/89/1066025189.db2.gz NTUNQSDFEACYLO-RBAQFSTRSA-N 0 0 493.446 4.216 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(C)C)n1Cc1cc(Br)ccc1OC ZINC001316275144 1066025870 /nfs/dbraw/zinc/02/58/70/1066025870.db2.gz JDZGXFMGRSYIKE-JXFKEZNVSA-N 0 0 481.435 4.304 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001316276832 1066029488 /nfs/dbraw/zinc/02/94/88/1066029488.db2.gz WXNOXGYVZAFWME-HXHBTQRASA-N 0 0 479.021 4.128 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001316277244 1066030223 /nfs/dbraw/zinc/03/02/23/1066030223.db2.gz LRQALDAENKODNH-MBDNFAEBSA-N 0 0 491.677 4.344 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1sccc1Br ZINC001316277547 1066030608 /nfs/dbraw/zinc/03/06/08/1066030608.db2.gz WWHKOKJTNFENRA-BBRMVZONSA-N 0 0 491.402 4.356 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(F)F)n1C[C@H]1SCCc2ccccc21 ZINC001316277817 1066030889 /nfs/dbraw/zinc/03/08/89/1066030889.db2.gz GBJAZGMAEQMAFS-HQRMLTQVSA-N 0 0 452.571 4.124 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2nccs2)n1Cc1c(F)cccc1SC ZINC001316277823 1066031015 /nfs/dbraw/zinc/03/10/15/1066031015.db2.gz GGZPUTHVKPZLRO-YWZLYKJASA-N 0 0 477.631 4.047 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC[C@H](OC)C(F)(F)F ZINC001316278668 1066031916 /nfs/dbraw/zinc/03/19/16/1066031916.db2.gz IJVVYMXPHCMDHC-WNHJNPCNSA-N 0 0 462.557 4.375 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCSCc1ccccc1 ZINC001316278785 1066032244 /nfs/dbraw/zinc/03/22/44/1066032244.db2.gz AOSYDVCMEPKDBS-YHELAOLJSA-N 0 0 462.685 4.266 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@@H](C)COc1ccccc1OC ZINC001316279190 1066032633 /nfs/dbraw/zinc/03/26/33/1066032633.db2.gz CRLCQDZKRLHQAI-FYTJFPQHSA-N 0 0 490.670 4.056 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001316281143 1066035228 /nfs/dbraw/zinc/03/52/28/1066035228.db2.gz GPWKSWVVLPUMPA-FHWLQOOXSA-N 0 0 492.690 4.029 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001316281424 1066035648 /nfs/dbraw/zinc/03/56/48/1066035648.db2.gz MQFBJNOABUSNLV-HVAMYJMISA-N 0 0 460.644 4.108 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)C)C2)n1Cc1sccc1Br ZINC001316281258 1066035714 /nfs/dbraw/zinc/03/57/14/1066035714.db2.gz JBLOUDLPAYULNZ-MPGHIAIKSA-N 0 0 469.449 4.357 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001316282268 1066036971 /nfs/dbraw/zinc/03/69/71/1066036971.db2.gz NSPWIULAYKSPQJ-HBXLWWENSA-N 0 0 468.520 4.084 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(COC)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001316282467 1066037087 /nfs/dbraw/zinc/03/70/87/1066037087.db2.gz PHEFRZOEVCXHAK-AABGKKOBSA-N 0 0 470.605 4.471 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCCC(C)C ZINC001316283280 1066038388 /nfs/dbraw/zinc/03/83/88/1066038388.db2.gz UZNKIYJDGKFCII-GMAHTHKFSA-N 0 0 475.678 4.104 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1C[C@H](OC)C(C)C ZINC001316284339 1066040303 /nfs/dbraw/zinc/04/03/03/1066040303.db2.gz WJMSKTIMKBKGEY-PQSFEVJCSA-N 0 0 472.630 4.269 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)Oc1ccccc1F ZINC001316284709 1066041120 /nfs/dbraw/zinc/04/11/20/1066041120.db2.gz ZFISLTDZGJNYPW-IWQHBPENSA-N 0 0 460.594 4.481 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001316285286 1066041597 /nfs/dbraw/zinc/04/15/97/1066041597.db2.gz KHVFRYLLJPETAN-DUPRYPCISA-N 0 0 468.520 4.378 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001316285596 1066042360 /nfs/dbraw/zinc/04/23/60/1066042360.db2.gz MLQCAPLYDSKHEG-IGGJEDBVSA-N 0 0 477.447 4.490 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(F)(F)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001316285875 1066042826 /nfs/dbraw/zinc/04/28/26/1066042826.db2.gz UZJVTCSNAZQUTD-RDJZCZTQSA-N 0 0 469.602 4.234 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001316287064 1066044108 /nfs/dbraw/zinc/04/41/08/1066044108.db2.gz KEPDKGQFQAJBFL-TYPHKJRUSA-N 0 0 498.546 4.059 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001316287034 1066044233 /nfs/dbraw/zinc/04/42/33/1066044233.db2.gz UQHVQICUJZUXLV-VCOUNFBDSA-N 0 0 484.645 4.016 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](OCC(C)C)C2)n1Cc1cscc1C(F)(F)F ZINC001316288123 1066045868 /nfs/dbraw/zinc/04/58/68/1066045868.db2.gz IIUQOMFWIWDJIM-WDYCEAGBSA-N 0 0 488.576 4.382 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3cc(Br)ccc3C2)n1CCOC(C)(C)C ZINC001316288520 1066046906 /nfs/dbraw/zinc/04/69/06/1066046906.db2.gz PBJBXODDFLIFKN-ICSRJNTNSA-N 0 0 493.446 4.142 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(Br)C2)n1CCc1ccccc1C ZINC001316289714 1066048571 /nfs/dbraw/zinc/04/85/71/1066048571.db2.gz FSAXTPCEHQXXJU-ICSRJNTNSA-N 0 0 461.404 4.042 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C(C)C)n1C[C@](C)(O)c1ccccc1Cl ZINC001316290332 1066049220 /nfs/dbraw/zinc/04/92/20/1066049220.db2.gz AZCQQJXTLLGYQN-QBVRBKIRSA-N 0 0 463.022 4.188 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001316290887 1066050845 /nfs/dbraw/zinc/05/08/45/1066050845.db2.gz PRJLTQHFLZGDMO-DFPKUZHUSA-N 0 0 499.553 4.065 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1Cc1cc(F)ccc1F ZINC001316291699 1066052550 /nfs/dbraw/zinc/05/25/50/1066052550.db2.gz LITLLMSJNMDFKV-CVAIRZPRSA-N 0 0 452.571 4.051 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001316292203 1066053039 /nfs/dbraw/zinc/05/30/39/1066053039.db2.gz NRPJWKXDAYUCKY-IPJJNNNSSA-N 0 0 493.048 4.496 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(C)C)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001316292198 1066053275 /nfs/dbraw/zinc/05/32/75/1066053275.db2.gz XQTNEMLTPFFUDA-HKBOAZHASA-N 0 0 487.611 4.149 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001316292577 1066054024 /nfs/dbraw/zinc/05/40/24/1066054024.db2.gz YVFNOBAMYZESCZ-JKBKZWBZSA-N 0 0 481.563 4.306 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1CCSC(C)C ZINC001316293163 1066054576 /nfs/dbraw/zinc/05/45/76/1066054576.db2.gz SKZSGFNUQWYSJW-BVSLBCMMSA-N 0 0 460.644 4.494 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CCCC(C)C ZINC001316294984 1066056274 /nfs/dbraw/zinc/05/62/74/1066056274.db2.gz UHIMDKIWMUOJGN-UPVQGACJSA-N 0 0 455.647 4.382 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1C[C@@](C)(O)CCC(C)C ZINC001316296231 1066057448 /nfs/dbraw/zinc/05/74/48/1066057448.db2.gz WLZOAJMWQXQRSH-UQWVPHONSA-N 0 0 477.675 4.296 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1CCSC(F)(F)F ZINC001316299195 1066059607 /nfs/dbraw/zinc/05/96/07/1066059607.db2.gz UKUYGZOGLZZZEY-UHOSZYNNSA-N 0 0 486.560 4.141 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1cccc(C)c1 ZINC001316299995 1066060089 /nfs/dbraw/zinc/06/00/89/1066060089.db2.gz FQGIGMPQMBWGQR-PNJWGLBASA-N 0 0 499.656 4.218 20 0 JIADRN 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Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccs2)n1 ZINC001492505389 1066323615 /nfs/dbraw/zinc/32/36/15/1066323615.db2.gz AFCRRZPFIOJDLF-OXJNMPFZSA-N 0 0 468.627 4.302 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)c1cc(C)oc1C ZINC001316448607 1066323997 /nfs/dbraw/zinc/32/39/97/1066323997.db2.gz VYYKWJPGYPGHJZ-OWJWWREXSA-N 0 0 472.611 4.369 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001316448608 1066324130 /nfs/dbraw/zinc/32/41/30/1066324130.db2.gz VYYKWJPGYPGHJZ-OYLFLEFRSA-N 0 0 472.611 4.369 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 ZINC001492505649 1066324791 /nfs/dbraw/zinc/32/47/91/1066324791.db2.gz CVXJNYCCLACSIT-XFSFLGPDSA-N 0 0 451.640 4.448 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001316448711 1066324772 /nfs/dbraw/zinc/32/47/72/1066324772.db2.gz QRBJYOKLPTXFMW-IEBWSBKVSA-N 0 0 467.680 4.149 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCc2ccc(N(C)C)cc2)n1 ZINC001492506001 1066325324 /nfs/dbraw/zinc/32/53/24/1066325324.db2.gz HVKXPGZYKKORMY-UHFFFAOYSA-N 0 0 486.542 4.305 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001316449072 1066325269 /nfs/dbraw/zinc/32/52/69/1066325269.db2.gz RWHWRSBLMNTJOD-BZSNNMDCSA-N 0 0 455.669 4.005 20 0 JIADRN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(Nc3ccccc3Cl)CC2)C1=O ZINC001328576755 1066326030 /nfs/dbraw/zinc/32/60/30/1066326030.db2.gz BSPFFHYRFAEZNE-MHZLTWQESA-N 0 0 490.991 4.363 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncccc1N(C)C ZINC001316449872 1066327155 /nfs/dbraw/zinc/32/71/55/1066327155.db2.gz LNCAZDXCKPBSLL-WAOWUJCRSA-N 0 0 460.692 4.284 20 0 JIADRN Cc1cccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCNc2nccc(C(F)(F)F)n2)n1 ZINC001492506728 1066328656 /nfs/dbraw/zinc/32/86/56/1066328656.db2.gz MHTZYMLVRMAVKQ-GDBMZVCRSA-N 0 0 460.508 4.194 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@]2(C)CCCS2)n1 ZINC001492506766 1066329155 /nfs/dbraw/zinc/32/91/55/1066329155.db2.gz RLUMGQAIHJXNQN-KBMIEXCESA-N 0 0 470.687 4.311 20 0 JIADRN CSCCCCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001316451052 1066330018 /nfs/dbraw/zinc/33/00/18/1066330018.db2.gz AIHYEDQLCBPJRH-LJQANCHMSA-N 0 0 487.695 4.348 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CSCCS2)n1 ZINC001492507987 1066331934 /nfs/dbraw/zinc/33/19/34/1066331934.db2.gz FIZVRUBSUYOCEU-OXJNMPFZSA-N 0 0 487.617 4.027 20 0 JIADRN CSCCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001316451617 1066332131 /nfs/dbraw/zinc/33/21/31/1066332131.db2.gz IAHSYARVIHXNOA-MRXNPFEDSA-N 0 0 480.476 4.298 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C(C)C ZINC001316451490 1066332226 /nfs/dbraw/zinc/33/22/26/1066332226.db2.gz STSDDXAAOIELNH-INDMIFKZSA-N 0 0 467.680 4.381 20 0 JIADRN CSCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001316451684 1066332786 /nfs/dbraw/zinc/33/27/86/1066332786.db2.gz JZPAGAQLJKABKO-OAQYLSRUSA-N 0 0 487.066 4.286 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2Cc2ncccc2N(C)C)n1 ZINC001492508198 1066333226 /nfs/dbraw/zinc/33/32/26/1066333226.db2.gz KREDEBBWGKEGKW-UHFFFAOYSA-N 0 0 499.463 4.479 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(Br)n1 ZINC001316452275 1066334323 /nfs/dbraw/zinc/33/43/23/1066334323.db2.gz XLBPGEIZMTZECU-OAHLLOKOSA-N 0 0 461.433 4.048 20 0 JIADRN CSCCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001316452313 1066334672 /nfs/dbraw/zinc/33/46/72/1066334672.db2.gz RXGTYJXPUUFTSM-HXUWFJFHSA-N 0 0 464.701 4.399 20 0 JIADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1nnc(-c2nnc(-c3ccccc3)o2)o1 ZINC001329133141 1066334607 /nfs/dbraw/zinc/33/46/07/1066334607.db2.gz ADICJJHCDOXVGY-UHFFFAOYSA-N 0 0 479.452 4.258 20 0 JIADRN Cc1nc(Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)sc1C ZINC001492508701 1066334708 /nfs/dbraw/zinc/33/47/08/1066334708.db2.gz XVNKFQXWDKXMOE-OAQYLSRUSA-N 0 0 480.560 4.300 20 0 JIADRN CSCCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)(=O)CC1 ZINC001316452345 1066335214 /nfs/dbraw/zinc/33/52/14/1066335214.db2.gz SOPLRAFCIVDSHR-UHFFFAOYSA-N 0 0 463.456 4.020 20 0 JIADRN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(N2CCNC2=O)c1 ZINC001329403317 1066337887 /nfs/dbraw/zinc/33/78/87/1066337887.db2.gz YSWPYJVYEONDLX-UHFFFAOYSA-N 0 0 477.361 4.351 20 0 JIADRN CSCCCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001316453354 1066337863 /nfs/dbraw/zinc/33/78/63/1066337863.db2.gz JVPHUUOHQDILKN-IBGZPJMESA-N 0 0 467.680 4.153 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001492509885 1066339573 /nfs/dbraw/zinc/33/95/73/1066339573.db2.gz ABTTYQDORJHHBD-HNNXBMFYSA-N 0 0 450.534 4.045 20 0 JIADRN CSCCCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H]1C ZINC001316454175 1066340028 /nfs/dbraw/zinc/34/00/28/1066340028.db2.gz PDQRCUDSHNMQEA-QZTJIDSGSA-N 0 0 454.644 4.350 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2)n1 ZINC001492510109 1066340237 /nfs/dbraw/zinc/34/02/37/1066340237.db2.gz HVLPWDKXVPOWRK-WOJBJXKFSA-N 0 0 478.597 4.219 20 0 JIADRN CSCCCCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001316454403 1066340437 /nfs/dbraw/zinc/34/04/37/1066340437.db2.gz RCCKHBQDDTUYMK-UHFFFAOYSA-N 0 0 464.639 4.272 20 0 JIADRN CSCCCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001316454504 1066340836 /nfs/dbraw/zinc/34/08/36/1066340836.db2.gz RZVGQWGFNRNPPR-UHFFFAOYSA-N 0 0 454.644 4.090 20 0 JIADRN CSCCCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001316454960 1066342360 /nfs/dbraw/zinc/34/23/60/1066342360.db2.gz TVYCKMDFTZURQW-SFHVURJKSA-N 0 0 463.614 4.170 20 0 JIADRN CSCCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001316455475 1066343600 /nfs/dbraw/zinc/34/36/00/1066343600.db2.gz IJBFKKRCSTVWCI-UHFFFAOYSA-N 0 0 491.105 4.440 20 0 JIADRN CSCCCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001316456515 1066345678 /nfs/dbraw/zinc/34/56/78/1066345678.db2.gz XTBYUKHLJSLIQH-LJQANCHMSA-N 0 0 468.671 4.331 20 0 JIADRN COc1ccc(-c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)cc1S(=O)(=O)N1CCCC1 ZINC001330036591 1066346156 /nfs/dbraw/zinc/34/61/56/1066346156.db2.gz LCMPACFIOOOYIM-CQSZACIVSA-N 0 0 459.593 4.383 20 0 JIADRN CSCCCCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001316457223 1066346936 /nfs/dbraw/zinc/34/69/36/1066346936.db2.gz NFPXWAUSWRGGSB-SFHVURJKSA-N 0 0 467.680 4.151 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2ccccc2OC(F)(F)F)n1 ZINC001492511844 1066347682 /nfs/dbraw/zinc/34/76/82/1066347682.db2.gz MDHSKMWKGIQPOQ-UHFFFAOYSA-N 0 0 488.514 4.077 20 0 JIADRN CSCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001316458043 1066348530 /nfs/dbraw/zinc/34/85/30/1066348530.db2.gz AYKIVUHIBCRFMK-WOJBJXKFSA-N 0 0 480.700 4.192 20 0 JIADRN CSCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001316458093 1066349083 /nfs/dbraw/zinc/34/90/83/1066349083.db2.gz BNXADCIDDXVPTI-ROUUACIJSA-N 0 0 458.607 4.428 20 0 JIADRN Cc1cccc(-c2nnc(N3CCc4cc(F)cc(F)c4C3)n2CCOCC(F)(F)C(F)F)n1 ZINC001492512686 1066351250 /nfs/dbraw/zinc/35/12/50/1066351250.db2.gz NLKAPYWVOADANH-UHFFFAOYSA-N 0 0 485.432 4.406 20 0 JIADRN CSCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001316459131 1066351223 /nfs/dbraw/zinc/35/12/23/1066351223.db2.gz PLNHMJLLXLBPHB-GOSISDBHSA-N 0 0 486.045 4.387 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC2CC(F)(F)C2)n1 ZINC001492512440 1066351302 /nfs/dbraw/zinc/35/13/02/1066351302.db2.gz ZJJARNZBOCKZJB-KRWDZBQOSA-N 0 0 476.572 4.387 20 0 JIADRN CSCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001316459918 1066353895 /nfs/dbraw/zinc/35/38/95/1066353895.db2.gz RVPCSTAJMUJLIG-UHFFFAOYSA-N 0 0 497.507 4.073 20 0 JIADRN CSCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001316460337 1066354889 /nfs/dbraw/zinc/35/48/89/1066354889.db2.gz XXDFXPZXQUBEKN-HXUWFJFHSA-N 0 0 451.434 4.468 20 0 JIADRN CSCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 ZINC001316460357 1066355006 /nfs/dbraw/zinc/35/50/06/1066355006.db2.gz FKBMTRXQDXKUIU-QGZVFWFLSA-N 0 0 489.633 4.211 20 0 JIADRN CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001316460844 1066355762 /nfs/dbraw/zinc/35/57/62/1066355762.db2.gz YQYAMMHJLMRZDD-IFXJQAMLSA-N 0 0 469.442 4.089 20 0 JIADRN CSCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 ZINC001316461037 1066356523 /nfs/dbraw/zinc/35/65/23/1066356523.db2.gz NMHSYPHPVAPULP-SFHVURJKSA-N 0 0 469.652 4.040 20 0 JIADRN CSCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001316460955 1066356628 /nfs/dbraw/zinc/35/66/28/1066356628.db2.gz NJZUQEOELKMALK-KRWDZBQOSA-N 0 0 465.614 4.031 20 0 JIADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4cccc(C)n4)n3CCC(=O)NC(C)(C)C)C2)sc1C ZINC001492514729 1066356503 /nfs/dbraw/zinc/35/65/03/1066356503.db2.gz UQXOKOAZCBULOJ-LJQANCHMSA-N 0 0 481.670 4.411 20 0 JIADRN 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Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCCN(C)c2ccccc2)n1 ZINC001492514960 1066358178 /nfs/dbraw/zinc/35/81/78/1066358178.db2.gz UAVYFRAFPYDQRZ-QHCPKHFHSA-N 0 0 489.668 4.306 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@H]2C)n1 ZINC001492515174 1066359516 /nfs/dbraw/zinc/35/95/16/1066359516.db2.gz WVJZLTCPAIKJNH-FXABVQRQSA-N 0 0 484.645 4.035 20 0 JIADRN CSCCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001316462684 1066359826 /nfs/dbraw/zinc/35/98/26/1066359826.db2.gz RISJNYUKOYBBJF-UHFFFAOYSA-N 0 0 475.416 4.226 20 0 JIADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cccc(C)n4)n3CCSC(F)(F)F)C2)n1 ZINC001492515249 1066360193 /nfs/dbraw/zinc/36/01/93/1066360193.db2.gz ZMIZNOHUEDEPSN-KRWDZBQOSA-N 0 0 480.564 4.026 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCOCC1 ZINC001316464474 1066363324 /nfs/dbraw/zinc/36/33/24/1066363324.db2.gz BFKSOUZEQLTOTC-ROUUACIJSA-N 0 0 463.717 4.041 20 0 JIADRN 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C[C@@H](OC(=O)c1nn(-c2ccccc2F)cc1Br)C(=O)NCCc1c[nH]c2ccccc12 ZINC001321911785 1067225793 /nfs/dbraw/zinc/22/57/93/1067225793.db2.gz AHYJJCNRYOCXKU-CQSZACIVSA-N 0 0 499.340 4.159 20 0 JIADRN O=C(NCCc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001351860376 1067226300 /nfs/dbraw/zinc/22/63/00/1067226300.db2.gz CVJAETUVDIBGJT-ZDUSSCGKSA-N 0 0 456.167 4.468 20 0 JIADRN O=C(COC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)Nc1ccnn1Cc1cccs1 ZINC001321916716 1067227103 /nfs/dbraw/zinc/22/71/03/1067227103.db2.gz KRLMUEIHTCPBQB-UHFFFAOYSA-N 0 0 464.425 4.168 20 0 JIADRN Fc1cc(Br)cc(Br)c1NC(=S)N[C@@H]1CCCC2(C1)OCCO2 ZINC001200805587 1067227900 /nfs/dbraw/zinc/22/79/00/1067227900.db2.gz UXQKRHGBCKUGRN-SNVBAGLBSA-N 0 0 468.186 4.323 20 0 JIADRN C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001354872159 1067228830 /nfs/dbraw/zinc/22/88/30/1067228830.db2.gz OKXPRHXATWGVCY-LBPRGKRZSA-N 0 0 451.748 4.251 20 0 JIADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2F)c1 ZINC001321943260 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4.037 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC001315519385 1064477386 /nfs/dbraw/zinc/47/73/86/1064477386.db2.gz GRPCWAXGPUAZMJ-LJQANCHMSA-N 0 0 497.665 4.367 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N(C)[C@H]2CCC[C@H](C)C2)c1 ZINC001315519767 1064478046 /nfs/dbraw/zinc/47/80/46/1064478046.db2.gz HLOIVEYTUJDGIT-RDJZCZTQSA-N 0 0 458.513 4.408 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001315519840 1064478939 /nfs/dbraw/zinc/47/89/39/1064478939.db2.gz JJKKBCNRQRWNBB-HXUWFJFHSA-N 0 0 473.524 4.250 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCS[C@@H](C)[C@H]2C)cc1 ZINC001315520326 1064481477 /nfs/dbraw/zinc/48/14/77/1064481477.db2.gz OFOMVNPEEZKIRW-QRVBRYPASA-N 0 0 453.612 4.070 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC001315520371 1064482230 /nfs/dbraw/zinc/48/22/30/1064482230.db2.gz MSCPMGFZMKZFPK-NUJGCVRESA-N 0 0 450.530 4.455 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC001315520603 1064483021 /nfs/dbraw/zinc/48/30/21/1064483021.db2.gz PKGHLBFODYTNHW-HNNXBMFYSA-N 0 0 486.445 4.302 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(C3CC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001315520530 1064483204 /nfs/dbraw/zinc/48/32/04/1064483204.db2.gz ULOOIDWAMDDHIO-QGZVFWFLSA-N 0 0 471.602 4.125 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001315520737 1064483955 /nfs/dbraw/zinc/48/39/55/1064483955.db2.gz SFZVOJGMJAYGOT-YYULODDRSA-N 0 0 494.583 4.459 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)cc1 ZINC001315521638 1064487201 /nfs/dbraw/zinc/48/72/01/1064487201.db2.gz YLKZOOJOCHSHRY-YLJYHZDGSA-N 0 0 467.618 4.102 20 0 JIADRN COc1ccc(OC)c(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001315521865 1064488154 /nfs/dbraw/zinc/48/81/54/1064488154.db2.gz BWCDFGCRDRNACA-KDOFPFPSSA-N 0 0 456.509 4.088 20 0 JIADRN COc1ccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001315521967 1064489093 /nfs/dbraw/zinc/48/90/93/1064489093.db2.gz DQRCZOAWHRIQDW-GVDBMIGSSA-N 0 0 454.493 4.384 20 0 JIADRN COc1ccc(OC)c(Cn2c(N3CCC[C@H]3C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001315522054 1064489858 /nfs/dbraw/zinc/48/98/58/1064489858.db2.gz FVGWXUSAFHDUEZ-SQJMNOBHSA-N 0 0 458.603 4.009 20 0 JIADRN COc1ccc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001315522251 1064490868 /nfs/dbraw/zinc/49/08/68/1064490868.db2.gz IOKAKNYFZFDARI-IBGZPJMESA-N 0 0 485.654 4.235 20 0 JIADRN COc1ccc(OCc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001315522632 1064491506 /nfs/dbraw/zinc/49/15/06/1064491506.db2.gz KNEZTIBOILPBES-XLIONFOSSA-N 0 0 490.651 4.092 20 0 JIADRN COc1ccc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001315522631 1064491561 /nfs/dbraw/zinc/49/15/61/1064491561.db2.gz KNEZTIBOILPBES-PXNSSMCTSA-N 0 0 490.651 4.092 20 0 JIADRN COc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCc2cccs2)cc1 ZINC001315522746 1064492572 /nfs/dbraw/zinc/49/25/72/1064492572.db2.gz FNFQFLDVPSCWSP-UHFFFAOYSA-N 0 0 472.611 4.005 20 0 JIADRN COc1ccc(OC)c(Cn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001315522970 1064493408 /nfs/dbraw/zinc/49/34/08/1064493408.db2.gz MKESJLZFRQJXPY-FQEVSTJZSA-N 0 0 499.656 4.379 20 0 JIADRN COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@](C)(O)c2cccs2)cc1 ZINC001315524103 1064496938 /nfs/dbraw/zinc/49/69/38/1064496938.db2.gz RNJQVPUNRMXZCN-FQEVSTJZSA-N 0 0 470.517 4.224 20 0 JIADRN COc1ccc(OCc2nnc(N(C)C3CCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001315524751 1064498701 /nfs/dbraw/zinc/49/87/01/1064498701.db2.gz WADOZOUVDVICKP-IBGZPJMESA-N 0 0 471.602 4.254 20 0 JIADRN COc1ccc(OC)c(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001315524935 1064499250 /nfs/dbraw/zinc/49/92/50/1064499250.db2.gz OAIMVTKPRYUFSF-IFMALSPDSA-N 0 0 458.603 4.369 20 0 JIADRN COc1ccc(OC)c(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001315524940 1064499389 /nfs/dbraw/zinc/49/93/89/1064499389.db2.gz OAIMVTKPRYUFSF-RBBKRZOGSA-N 0 0 458.603 4.369 20 0 JIADRN COc1ccc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCOC[C@@H]2OC)cc1 ZINC001315525670 1064501090 /nfs/dbraw/zinc/50/10/90/1064501090.db2.gz ATQVSYCAOWARHY-UZLBHIALSA-N 0 0 493.029 4.269 20 0 JIADRN COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2Cc2ccnc(N3CCCCC3)c2)cc1 ZINC001315526190 1064502452 /nfs/dbraw/zinc/50/24/52/1064502452.db2.gz DNDWHRNVBUWTEJ-UHFFFAOYSA-N 0 0 490.530 4.298 20 0 JIADRN COc1ccc(OC)c2c1CN(c1nnc(C)n1Cc1c(C)sc(C)c1Br)C[C@@H]2O ZINC001315527628 1064505138 /nfs/dbraw/zinc/50/51/38/1064505138.db2.gz SYWYMXXYRSHTCQ-INIZCTEOSA-N 0 0 493.427 4.146 20 0 JIADRN COc1ccc(OC)c2c1CN(c1nnc(-c3cccnc3)n1CCCSCC(C)C)C[C@@H]2O ZINC001315527484 1064505228 /nfs/dbraw/zinc/50/52/28/1064505228.db2.gz RWHOJKMSKZKNAD-FQEVSTJZSA-N 0 0 483.638 4.190 20 0 JIADRN COc1ccc(OC)c2c1CN(c1nnc(CC3CCCC3)n1CCSC(C)C)C[C@@H]2O ZINC001315527648 1064505897 /nfs/dbraw/zinc/50/58/97/1064505897.db2.gz UDFDFPQPBMELIS-IBGZPJMESA-N 0 0 460.644 4.223 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC001315528221 1064507103 /nfs/dbraw/zinc/50/71/03/1064507103.db2.gz BPPFLZXJLLUWHK-SJORKVTESA-N 0 0 491.514 4.485 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C4CC4)C3)n2CCSC(F)(F)F)cc1 ZINC001315528555 1064508295 /nfs/dbraw/zinc/50/82/95/1064508295.db2.gz KWOVSOSDNYROOK-KBXCAEBGSA-N 0 0 472.533 4.122 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@H](C)c2nc(C)cs2)cc1 ZINC001315528771 1064508926 /nfs/dbraw/zinc/50/89/26/1064508926.db2.gz NILKXJMUWVHCDM-JXFKEZNVSA-N 0 0 471.627 4.296 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001315529897 1064512114 /nfs/dbraw/zinc/51/21/14/1064512114.db2.gz PTEVOMNQVPBSBZ-WNXIRNOKSA-N 0 0 472.630 4.322 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2Cc2ccoc2)cc1 ZINC001315529989 1064513000 /nfs/dbraw/zinc/51/30/00/1064513000.db2.gz SBMPCRNUBAZEJY-QFIPXVFZSA-N 0 0 480.487 4.037 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001315530457 1064513746 /nfs/dbraw/zinc/51/37/46/1064513746.db2.gz IDKRYJYVAIMJLU-MHZLTWQESA-N 0 0 481.641 4.355 20 0 JIADRN COc1ccc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001315531083 1064515801 /nfs/dbraw/zinc/51/58/01/1064515801.db2.gz CITCDFVFGLBNLM-HXUWFJFHSA-N 0 0 464.614 4.247 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC([C@H]4CC4(F)F)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001315532036 1064518092 /nfs/dbraw/zinc/51/80/92/1064518092.db2.gz UUHGRMCUBJDPLD-NFBKMPQASA-N 0 0 464.557 4.144 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2CC(F)(F)F)cc1 ZINC001315534198 1064523423 /nfs/dbraw/zinc/52/34/23/1064523423.db2.gz SDVBCOSNHPSBLA-UHFFFAOYSA-N 0 0 456.509 4.460 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@](C)(O)CCC(C)C)cc1 ZINC001315534344 1064523828 /nfs/dbraw/zinc/52/38/28/1064523828.db2.gz NOVGCZLNLAVTFT-IECBHUPTSA-N 0 0 462.660 4.383 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@](C)(O)CCC(C)C)cc1 ZINC001315534347 1064523931 /nfs/dbraw/zinc/52/39/31/1064523931.db2.gz NOVGCZLNLAVTFT-KHCICDEESA-N 0 0 462.660 4.383 20 0 JIADRN COc1ccc(OCc2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001315535585 1064527132 /nfs/dbraw/zinc/52/71/32/1064527132.db2.gz LPKQDBIWVUKLMO-CPLUKWAASA-N 0 0 484.519 4.009 20 0 JIADRN COc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCc2sc(C)nc2C)cc1 ZINC001315536058 1064527544 /nfs/dbraw/zinc/52/75/44/1064527544.db2.gz UZKFRLKZGUJCMJ-HNNXBMFYSA-N 0 0 459.641 4.123 20 0 JIADRN COc1ccc(OCc2nnc(N3CCC[C@H](OC)C3)n2Cc2sccc2Br)cc1 ZINC001315536672 1064528579 /nfs/dbraw/zinc/52/85/79/1064528579.db2.gz QRZWOBXVFCSQFF-KRWDZBQOSA-N 0 0 493.427 4.353 20 0 JIADRN COc1ccc(OCCCn2c(CC(C)C)nnc2N2CCCN(c3ncccc3F)CC2)cc1 ZINC001315537532 1064530616 /nfs/dbraw/zinc/53/06/16/1064530616.db2.gz QUULTYGKVJHCDW-UHFFFAOYSA-N 0 0 482.604 4.205 20 0 JIADRN COc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCO[C@H]2CCCC[C@H]2C)cc1 ZINC001315537784 1064531141 /nfs/dbraw/zinc/53/11/41/1064531141.db2.gz YZOQVCVUOBSNAW-DXIQSLLYSA-N 0 0 460.644 4.403 20 0 JIADRN COc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001315537791 1064531346 /nfs/dbraw/zinc/53/13/46/1064531346.db2.gz YZOQVCVUOBSNAW-XQBPLPMBSA-N 0 0 460.644 4.403 20 0 JIADRN COc1ccc(OCCCn2c(CC(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001315538044 1064531945 /nfs/dbraw/zinc/53/19/45/1064531945.db2.gz YFIFEFGPRAPUKN-FQEVSTJZSA-N 0 0 487.645 4.400 20 0 JIADRN COc1ccc(OCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)o2)cc1 ZINC001315540133 1064535352 /nfs/dbraw/zinc/53/53/52/1064535352.db2.gz QIEMVROVPWPTNY-UHFFFAOYSA-N 0 0 472.343 4.353 20 0 JIADRN COc1ccc(OCCn2c(-c3ccc(C)o3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001315540346 1064535767 /nfs/dbraw/zinc/53/57/67/1064535767.db2.gz UITBUNKZZAYVCE-UHFFFAOYSA-N 0 0 479.503 4.009 20 0 JIADRN COc1ccc(OCCCn2c(N3CCN(Cc4cccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001315540677 1064536925 /nfs/dbraw/zinc/53/69/25/1064536925.db2.gz HUMZPVRMFJBYIZ-UHFFFAOYSA-N 0 0 469.655 4.437 20 0 JIADRN COc1ccc(OCCn2c(CC(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001315540884 1064537524 /nfs/dbraw/zinc/53/75/24/1064537524.db2.gz BAVXKTXMEGSZQX-HXUWFJFHSA-N 0 0 487.645 4.257 20 0 JIADRN COc1ccc(OCCN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCO2)cc1 ZINC001315540968 1064538162 /nfs/dbraw/zinc/53/81/62/1064538162.db2.gz NNPMMRPDWCEHIY-KRWDZBQOSA-N 0 0 493.427 4.472 20 0 JIADRN COc1ccc(OCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001315540934 1064538202 /nfs/dbraw/zinc/53/82/02/1064538202.db2.gz CFJLRMQZFPGKHC-CJFMBICVSA-N 0 0 458.603 4.033 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)CCc2nccs2)c1 ZINC001315541284 1064538572 /nfs/dbraw/zinc/53/85/72/1064538572.db2.gz AZAWTBCZRWQUJE-UHFFFAOYSA-N 0 0 479.654 4.262 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001315541419 1064539010 /nfs/dbraw/zinc/53/90/10/1064539010.db2.gz CSEIDIADMDZONP-VQIMIIECSA-N 0 0 479.547 4.135 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H]2CCOC2)c1 ZINC001315541929 1064540593 /nfs/dbraw/zinc/54/05/93/1064540593.db2.gz HMXAVYLRVXFHKE-SFHVURJKSA-N 0 0 488.430 4.258 20 0 JIADRN COc1ccc(OCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001315542163 1064540755 /nfs/dbraw/zinc/54/07/55/1064540755.db2.gz ZGGTWFQQSSNESX-DEOSSOPVSA-N 0 0 496.656 4.401 20 0 JIADRN COc1cccc(C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)C2CCC(NC(C)=O)CC2)c1 ZINC001315542354 1064541181 /nfs/dbraw/zinc/54/11/81/1064541181.db2.gz LIOVWRDAEJMHNQ-UHFFFAOYSA-N 0 0 476.625 4.210 20 0 JIADRN COc1ccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCO2)cc1 ZINC001315542177 1064541315 /nfs/dbraw/zinc/54/13/15/1064541315.db2.gz ZOELOIRURRTEFO-HXUWFJFHSA-N 0 0 457.962 4.086 20 0 JIADRN COc1cccc(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001315542916 1064542863 /nfs/dbraw/zinc/54/28/63/1064542863.db2.gz 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COc1cccc(-c2nnc(N3CCN(Cc4cccs4)CC3)n2C[C@@H](OC)C(C)C)c1 ZINC001315564961 1064595690 /nfs/dbraw/zinc/59/56/90/1064595690.db2.gz YZJRSPQPIOWXAS-JOCHJYFZSA-N 0 0 455.628 4.008 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCn2cc(Cl)cn2)c1 ZINC001315565366 1064596860 /nfs/dbraw/zinc/59/68/60/1064596860.db2.gz BEVAAHZKYBRMRF-CXAGYDPISA-N 0 0 454.884 4.138 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)nc2)c1 ZINC001315566473 1064598258 /nfs/dbraw/zinc/59/82/58/1064598258.db2.gz OYYNKRQDMMEMBL-GOSISDBHSA-N 0 0 484.988 4.154 20 0 JIADRN COc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2ccc(Cl)s2)c1 ZINC001315566371 1064598425 /nfs/dbraw/zinc/59/84/25/1064598425.db2.gz FKDNWCXJUDBULM-SFHVURJKSA-N 0 0 463.003 4.347 20 0 JIADRN COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)CCO2)c1 ZINC001315568914 1064605439 /nfs/dbraw/zinc/60/54/39/1064605439.db2.gz DABKONCHFPCYBA-NRFANRHFSA-N 0 0 485.629 4.029 20 0 JIADRN 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ZINC001492505857 1066325175 /nfs/dbraw/zinc/32/51/75/1066325175.db2.gz GEJSCEQANAXVAU-OFNKIYASSA-N 0 0 482.673 4.232 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001316449067 1066325461 /nfs/dbraw/zinc/32/54/61/1066325461.db2.gz RWAQVPQIFKDYDK-FUHWJXTLSA-N 0 0 463.614 4.372 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(=O)NCCCOC(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)n1 ZINC001492505858 1066325624 /nfs/dbraw/zinc/32/56/24/1066325624.db2.gz GEJSCEQANAXVAU-REWPJTCUSA-N 0 0 482.673 4.232 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCOCC1 ZINC001316449440 1066326721 /nfs/dbraw/zinc/32/67/21/1066326721.db2.gz IRMPCFMGNYKBDS-QRQLOZEOSA-N 0 0 467.680 4.053 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001316450012 1066327662 /nfs/dbraw/zinc/32/76/62/1066327662.db2.gz WYSXKPOTJUTXMB-ZJPYXAASSA-N 0 0 451.681 4.037 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001316450111 1066328383 /nfs/dbraw/zinc/32/83/83/1066328383.db2.gz KLKUSIJNJTYJFI-HKUYNNGSSA-N 0 0 484.695 4.265 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492506827 1066329449 /nfs/dbraw/zinc/32/94/49/1066329449.db2.gz SYIXCWBZTVXEBF-UUWRZZSWSA-N 0 0 479.650 4.295 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001316450886 1066329428 /nfs/dbraw/zinc/32/94/28/1066329428.db2.gz SBYHNQJPWQGWEK-MDYRTPRTSA-N 0 0 458.550 4.158 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 ZINC001316450836 1066329570 /nfs/dbraw/zinc/32/95/70/1066329570.db2.gz RHWZTANDKCVELR-KSZLIROESA-N 0 0 453.653 4.107 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1sc(C)nc1C ZINC001316451009 1066329904 /nfs/dbraw/zinc/32/99/04/1066329904.db2.gz QMYNSISVDHQPQA-KUHUBIRLSA-N 0 0 459.641 4.490 20 0 JIADRN CSCCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001316451138 1066330610 /nfs/dbraw/zinc/33/06/10/1066330610.db2.gz CMFGFTHJHRKJNA-WMZOPIPTSA-N 0 0 482.741 4.288 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ncccc2C)n1 ZINC001492507847 1066331912 /nfs/dbraw/zinc/33/19/12/1066331912.db2.gz AXWUJFJJGXDJAW-UXHICEINSA-N 0 0 477.613 4.140 20 0 JIADRN Cc1ncsc1CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492508049 1066332407 /nfs/dbraw/zinc/33/24/07/1066332407.db2.gz GXFUVTOWEOHIKD-PKOBYXMFSA-N 0 0 497.669 4.396 20 0 JIADRN Cc1ncsc1CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492508047 1066332448 /nfs/dbraw/zinc/33/24/48/1066332448.db2.gz GXFUVTOWEOHIKD-IEBWSBKVSA-N 0 0 497.669 4.396 20 0 JIADRN CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001316451986 1066333519 /nfs/dbraw/zinc/33/35/19/1066333519.db2.gz AUIPMNWPNJUTCS-CTNGQTDRSA-N 0 0 478.684 4.151 20 0 JIADRN Cc1noc2nc(-c3ccc(C)cc3)cc(-c3nnc(-c4nn(C)c(=O)c5ccccc54)o3)c12 ZINC001329136168 1066335757 /nfs/dbraw/zinc/33/57/57/1066335757.db2.gz XPAIHSVHTMWDFM-UHFFFAOYSA-N 0 0 450.458 4.471 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001316452738 1066336402 /nfs/dbraw/zinc/33/64/02/1066336402.db2.gz YJLWWNIRDJMSFI-HLIPFELVSA-N 0 0 491.658 4.282 20 0 JIADRN C[C@]1(c2cccc(CNC(=O)C=Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)NC(=O)NC1=O ZINC001329258721 1066336844 /nfs/dbraw/zinc/33/68/44/1066336844.db2.gz FVUJIGIQTOYRGJ-RRFGBZISSA-N 0 0 485.384 4.108 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(CC(=O)NC4CCCC4)CC3)n2CCOC(C)(C)C)n1 ZINC001492509153 1066337287 /nfs/dbraw/zinc/33/72/87/1066337287.db2.gz INXWNQDMWWPOJF-UHFFFAOYSA-N 0 0 468.646 4.129 20 0 JIADRN CSCCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001316453290 1066337681 /nfs/dbraw/zinc/33/76/81/1066337681.db2.gz DOACIQHEWXIXBH-IBGZPJMESA-N 0 0 489.711 4.374 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](c4ccccc4C)C3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492509670 1066337923 /nfs/dbraw/zinc/33/79/23/1066337923.db2.gz UYFDQWHRCLKTOZ-WEZXKFLESA-N 0 0 451.640 4.498 20 0 JIADRN CSCCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001316453292 1066337949 /nfs/dbraw/zinc/33/79/49/1066337949.db2.gz DOACIQHEWXIXBH-LJQANCHMSA-N 0 0 489.711 4.374 20 0 JIADRN CSCCCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001316453769 1066338827 /nfs/dbraw/zinc/33/88/27/1066338827.db2.gz LWMNHKUVBFVYDG-JOCHJYFZSA-N 0 0 477.719 4.180 20 0 JIADRN CSCCCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001316454301 1066340333 /nfs/dbraw/zinc/34/03/33/1066340333.db2.gz SHMGDQVDDKXUIM-AWEZNQCLSA-N 0 0 486.505 4.394 20 0 JIADRN CSCCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001316455657 1066342800 /nfs/dbraw/zinc/34/28/00/1066342800.db2.gz NQADWRXDQGSWOZ-ICSRJNTNSA-N 0 0 459.660 4.235 20 0 JIADRN CSCCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001316455268 1066342904 /nfs/dbraw/zinc/34/29/04/1066342904.db2.gz YEMMVVMBFHCZNB-HTAPYJJXSA-N 0 0 466.051 4.301 20 0 JIADRN CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001316455134 1066342966 /nfs/dbraw/zinc/34/29/66/1066342966.db2.gz KPIIMNHBLYFFNE-SFHVURJKSA-N 0 0 460.648 4.243 20 0 JIADRN CSCCCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001316455415 1066343410 /nfs/dbraw/zinc/34/34/10/1066343410.db2.gz YLTAIVKORVCLAV-UHFFFAOYSA-N 0 0 466.659 4.113 20 0 JIADRN O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc(Br)c1Cl ZINC001329691393 1066343588 /nfs/dbraw/zinc/34/35/88/1066343588.db2.gz YGUAZAIEGHIXCA-UHFFFAOYSA-N 0 0 473.776 4.197 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCC(=O)NCc2ccccc2)n1 ZINC001492511317 1066344326 /nfs/dbraw/zinc/34/43/26/1066344326.db2.gz UVYCGPFVGDVIHO-UHFFFAOYSA-N 0 0 476.625 4.139 20 0 JIADRN CSCCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001316457320 1066346984 /nfs/dbraw/zinc/34/69/84/1066346984.db2.gz OZFIUTKJUJPLOV-GOSISDBHSA-N 0 0 477.700 4.166 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@H]2CCSC2(C)C)n1 ZINC001492511837 1066347899 /nfs/dbraw/zinc/34/78/99/1066347899.db2.gz LTPMCMFVVKIWNQ-QGZVFWFLSA-N 0 0 496.603 4.075 20 0 JIADRN CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001316457903 1066347954 /nfs/dbraw/zinc/34/79/54/1066347954.db2.gz ACHUECYROKRNRX-RHSMWYFYSA-N 0 0 454.438 4.184 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)n1 ZINC001492511967 1066348949 /nfs/dbraw/zinc/34/89/49/1066348949.db2.gz QMCSNLYWTZQJRJ-SXLOBPIMSA-N 0 0 454.619 4.436 20 0 JIADRN CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001316458628 1066349628 /nfs/dbraw/zinc/34/96/28/1066349628.db2.gz FXBZGJDADMMGRS-OAHLLOKOSA-N 0 0 478.464 4.296 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](COCc4ccccc4)C3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001492512207 1066350638 /nfs/dbraw/zinc/35/06/38/1066350638.db2.gz WOHYRLXCJLPEOI-JOCHJYFZSA-N 0 0 492.624 4.216 20 0 JIADRN CSCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001316459631 1066352763 /nfs/dbraw/zinc/35/27/63/1066352763.db2.gz YWHJYVRWGPYWDO-HXUWFJFHSA-N 0 0 487.670 4.329 20 0 JIADRN CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001316459554 1066352851 /nfs/dbraw/zinc/35/28/51/1066352851.db2.gz WXYKXQSAAGNMOF-CQSZACIVSA-N 0 0 490.621 4.419 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CCCO2)n1 ZINC001492513808 1066354161 /nfs/dbraw/zinc/35/41/61/1066354161.db2.gz GPBPQQSKRVVUJJ-KBMIEXCESA-N 0 0 470.618 4.053 20 0 JIADRN Cc1nc([C@H]2CCCN(c3nnc(-c4cccc(C)n4)n3CCC(=O)NC(C)(C)C)C2)sc1C ZINC001492514725 1066356703 /nfs/dbraw/zinc/35/67/03/1066356703.db2.gz UQXOKOAZCBULOJ-IBGZPJMESA-N 0 0 481.670 4.411 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCCC(F)(F)F)n1 ZINC001492514738 1066356760 /nfs/dbraw/zinc/35/67/60/1066356760.db2.gz URVCCHVFVUWDQQ-QGZVFWFLSA-N 0 0 466.552 4.370 20 0 JIADRN COc1cccc(Cc2cnc(NC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)s2)c1 ZINC001331258156 1066357896 /nfs/dbraw/zinc/35/78/96/1066357896.db2.gz NEDJYHHARACDCF-UHFFFAOYSA-N 0 0 478.496 4.313 20 0 JIADRN CSCCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001316462030 1066358550 /nfs/dbraw/zinc/35/85/50/1066358550.db2.gz WLKWXELQFZTGFV-SFHVURJKSA-N 0 0 455.594 4.393 20 0 JIADRN CSCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001316462004 1066358797 /nfs/dbraw/zinc/35/87/97/1066358797.db2.gz KTAOKICAHGMGHC-IAGOWNOFSA-N 0 0 461.701 4.366 20 0 JIADRN CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001316462230 1066359275 /nfs/dbraw/zinc/35/92/75/1066359275.db2.gz MGYCWHFXKHABRN-KRWDZBQOSA-N 0 0 493.431 4.120 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCOC[C@H]2CCCO2)n1 ZINC001492515105 1066359763 /nfs/dbraw/zinc/35/97/63/1066359763.db2.gz VWGNGWPQHDRABZ-NHCUHLMSSA-N 0 0 457.619 4.018 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2Cc2cccc(Cl)c2)n1 ZINC001492515230 1066360234 /nfs/dbraw/zinc/36/02/34/1066360234.db2.gz XRVLORYHYLCAGW-HXUWFJFHSA-N 0 0 467.017 4.481 20 0 JIADRN CSCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001316463102 1066360765 /nfs/dbraw/zinc/36/07/65/1066360765.db2.gz RNMBYNIWKNCWEE-UHFFFAOYSA-N 0 0 494.459 4.238 20 0 JIADRN CSCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001316463180 1066360882 /nfs/dbraw/zinc/36/08/82/1066360882.db2.gz PKRLZZNTXZBSEX-OAQYLSRUSA-N 0 0 468.671 4.165 20 0 JIADRN CCN(CC)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1 ZINC001331700679 1066361521 /nfs/dbraw/zinc/36/15/21/1066361521.db2.gz GVTNAYKDYJCENF-UHFFFAOYSA-N 0 0 464.657 4.190 20 0 JIADRN CSCCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001316463402 1066361433 /nfs/dbraw/zinc/36/14/33/1066361433.db2.gz NKIZETRQIDYIHO-LJQANCHMSA-N 0 0 463.673 4.077 20 0 JIADRN CSCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001316464129 1066362576 /nfs/dbraw/zinc/36/25/76/1066362576.db2.gz SZYPLGBCRGCICD-HKUYNNGSSA-N 0 0 467.680 4.055 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1OCCC1(C)C ZINC001316464435 1066363359 /nfs/dbraw/zinc/36/33/59/1066363359.db2.gz AARCJVAVRHGKDE-INIZCTEOSA-N 0 0 456.454 4.051 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2CCC(C(F)(F)F)CC2)n1 ZINC001492516087 1066363967 /nfs/dbraw/zinc/36/39/67/1066363967.db2.gz KIEUXIURCVIFOD-CTWPCTMYSA-N 0 0 499.603 4.421 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2CC[C@H](F)C2)n1 ZINC001492516252 1066364723 /nfs/dbraw/zinc/36/47/23/1066364723.db2.gz MJQQWGSVQHUNHV-UXHICEINSA-N 0 0 458.582 4.091 20 0 JIADRN CCCCCn1nc(-c2nnc(-c3sc4nc5n(c(=O)c4c3C)CCC5)o2)c2ccccc2c1=O ZINC001331962219 1066365023 /nfs/dbraw/zinc/36/50/23/1066365023.db2.gz BXYSIWYXENGVOD-UHFFFAOYSA-N 0 0 488.573 4.330 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC1CCN(C(C)=O)CC1 ZINC001316465212 1066365594 /nfs/dbraw/zinc/36/55/94/1066365594.db2.gz HVLNXHHWEAKDBO-UHFFFAOYSA-N 0 0 486.505 4.217 20 0 JIADRN 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O=C(COC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1cccc(C(F)(F)F)c1 ZINC001317839034 1066723377 /nfs/dbraw/zinc/72/33/77/1066723377.db2.gz UNMNEAYUJJGITR-UHFFFAOYSA-N 0 0 454.202 4.088 20 0 JIADRN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cc(F)c(C(F)(F)F)cc1F ZINC001348163861 1066724754 /nfs/dbraw/zinc/72/47/54/1066724754.db2.gz NZKYXDHCVNCASV-PXNMLYILSA-N 0 0 456.392 4.450 20 0 JIADRN O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cc(F)c(C(F)(F)F)cc1F ZINC001348163860 1066724872 /nfs/dbraw/zinc/72/48/72/1066724872.db2.gz NZKYXDHCVNCASV-LZYBPNLTSA-N 0 0 456.392 4.450 20 0 JIADRN Cc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317843035 1066725222 /nfs/dbraw/zinc/72/52/22/1066725222.db2.gz CRVYYNYRSRATED-GOSISDBHSA-N 0 0 454.530 4.468 20 0 JIADRN CCOC(=O)C1=C(NC(=O)Cc2cc(Br)ccc2C)Nc2ccccc2N=C1C ZINC001348172160 1066725404 /nfs/dbraw/zinc/72/54/04/1066725404.db2.gz BVIGBGRVIVYPQH-UHFFFAOYSA-N 0 0 456.340 4.409 20 0 JIADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCCNC(=O)c3ccccc3C(F)(F)F)c21 ZINC001317843260 1066725758 /nfs/dbraw/zinc/72/57/58/1066725758.db2.gz GRYRHCYHYWHXGH-UHFFFAOYSA-N 0 0 460.456 4.402 20 0 JIADRN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(-c3ccco3)s2)c(=O)[nH]c1=O ZINC001348174355 1066725861 /nfs/dbraw/zinc/72/58/61/1066725861.db2.gz NFCWXRMMOGKOMA-UHFFFAOYSA-N 0 0 454.508 4.093 20 0 JIADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317843473 1066726329 /nfs/dbraw/zinc/72/63/29/1066726329.db2.gz KNCMVNXDQWMEPW-UHFFFAOYSA-N 0 0 465.859 4.493 20 0 JIADRN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001317843796 1066726681 /nfs/dbraw/zinc/72/66/81/1066726681.db2.gz MEOUDPOSXNZLCL-INIZCTEOSA-N 0 0 475.501 4.062 20 0 JIADRN COc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC001348189221 1066726880 /nfs/dbraw/zinc/72/68/80/1066726880.db2.gz SXASLUMWISVRQL-FQEVSTJZSA-N 0 0 458.580 4.016 20 0 JIADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC001348200370 1066726894 /nfs/dbraw/zinc/72/68/94/1066726894.db2.gz XFELIXSQFWLJGH-MRXNPFEDSA-N 0 0 456.491 4.081 20 0 JIADRN CCOC(=O)c1c2c(sc1NC(=O)CN1c3ccccc3OCCC1=O)C[C@@H](CC)CC2 ZINC001348205074 1066727383 /nfs/dbraw/zinc/72/73/83/1066727383.db2.gz JSUZHVPMYHDMFI-HNNXBMFYSA-N 0 0 456.564 4.194 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)[C@@H](OC(=O)c2ccc(Cl)nn2)c2ccccc2)cc1 ZINC001348210305 1066727699 /nfs/dbraw/zinc/72/76/99/1066727699.db2.gz FEZBCLULWCXYLU-HRAATJIYSA-N 0 0 459.955 4.046 20 0 JIADRN COC1CCC(C(=O)O[C@@H](c2ccccc2)[C@H](C)N(C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001348211285 1066728140 /nfs/dbraw/zinc/72/81/40/1066728140.db2.gz XBHVWYUUCZORKL-LNGVDGETSA-N 0 0 459.608 4.494 20 0 JIADRN COC(=O)C[C@@H](NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(C)cc1 ZINC001317845642 1066728403 /nfs/dbraw/zinc/72/84/03/1066728403.db2.gz IZHYJGBCSREGAS-OAQYLSRUSA-N 0 0 480.590 4.381 20 0 JIADRN COc1cccc([C@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1 ZINC001317845302 1066728413 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/nfs/dbraw/zinc/73/11/29/1066731129.db2.gz DOPSMEDNKBJSIB-QHCPKHFHSA-N 0 0 458.624 4.019 20 0 JIADRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2sc(C3CCCCC3)nc2C)cc1 ZINC001348259594 1066731262 /nfs/dbraw/zinc/73/12/62/1066731262.db2.gz QFAPBLPXSKQJTO-AWEZNQCLSA-N 0 0 451.614 4.065 20 0 JIADRN CNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC001317850362 1066731874 /nfs/dbraw/zinc/73/18/74/1066731874.db2.gz GCIZQHQCIXPBND-JTQLQIEISA-N 0 0 480.211 4.497 20 0 JIADRN CCc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c2cccc(F)c2)cc1 ZINC001317851072 1066732245 /nfs/dbraw/zinc/73/22/45/1066732245.db2.gz MKABAWQEDAUTIH-HJPURHCSSA-N 0 0 455.555 4.185 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@H](C)SCC(=O)Nc3ccc(C)cc3)c2)n1 ZINC001317850570 1066732305 /nfs/dbraw/zinc/73/23/05/1066732305.db2.gz PARGSAXUVWMYGD-KRWDZBQOSA-N 0 0 466.563 4.056 20 0 JIADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cn3)CC2)c(C)c1C ZINC001348273377 1066732933 /nfs/dbraw/zinc/73/29/33/1066732933.db2.gz WOTFDMUVSUTAKG-UHFFFAOYSA-N 0 0 457.640 4.068 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2 ZINC001317851309 1066733100 /nfs/dbraw/zinc/73/31/00/1066733100.db2.gz SXHFOJIAOFKYTD-AWEZNQCLSA-N 0 0 456.568 4.241 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC001348303443 1066735096 /nfs/dbraw/zinc/73/50/96/1066735096.db2.gz YNEZIKUZAOEDHK-NTUVXCKYSA-N 0 0 455.624 4.306 20 0 JIADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2=O)cc1 ZINC001348347014 1066737601 /nfs/dbraw/zinc/73/76/01/1066737601.db2.gz OJIRITDGTRGGTJ-QKIFEPKBSA-N 0 0 456.486 4.038 20 0 JIADRN Cc1cc(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1N1CCCC1=O ZINC001317858392 1066737646 /nfs/dbraw/zinc/73/76/46/1066737646.db2.gz CHSQWXFHFMSCRH-UHFFFAOYSA-N 0 0 460.500 4.490 20 0 JIADRN O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001317858376 1066737657 /nfs/dbraw/zinc/73/76/57/1066737657.db2.gz OBHACVZHYBGYRI-UHFFFAOYSA-N 0 0 488.009 4.339 20 0 JIADRN Cc1cccc(N2CCN(C(=O)COC(=O)c3csc(Cc4ccc(Cl)cc4)n3)CC2)c1 ZINC001317858613 1066737667 /nfs/dbraw/zinc/73/76/67/1066737667.db2.gz RURKFPKKQAAQAV-UHFFFAOYSA-N 0 0 469.994 4.201 20 0 JIADRN O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)Nc1ccnn1Cc1ccsc1 ZINC001317858642 1066737724 /nfs/dbraw/zinc/73/77/24/1066737724.db2.gz XIODQKSBRTTZMI-UHFFFAOYSA-N 0 0 492.380 4.238 20 0 JIADRN C[C@H]1CN([C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2C)c2c(F)cccc2Cl)CCO1 ZINC001317858953 1066737961 /nfs/dbraw/zinc/73/79/61/1066737961.db2.gz ZCMAFOWVLZZTPF-WMLDXEAASA-N 0 0 451.974 4.094 20 0 JIADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001317859588 1066738565 /nfs/dbraw/zinc/73/85/65/1066738565.db2.gz OYHLSZGFWJEXSS-UHFFFAOYSA-N 0 0 451.857 4.147 20 0 JIADRN COc1cc(NC(=O)CSc2ccc(Br)cc2)c(C(=O)N2CCCC2)cc1OC ZINC001317860518 1066739253 /nfs/dbraw/zinc/73/92/53/1066739253.db2.gz QISYJGKVCNPDSU-UHFFFAOYSA-N 0 0 479.396 4.433 20 0 JIADRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001317860286 1066739422 /nfs/dbraw/zinc/73/94/22/1066739422.db2.gz DHBXPPFISHYVBB-UHFFFAOYSA-N 0 0 459.243 4.296 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(Cc3ccccc3Cl)CC2)c1 ZINC001348354528 1066739343 /nfs/dbraw/zinc/73/93/43/1066739343.db2.gz IAEIZLOEURQUGJ-UHFFFAOYSA-N 0 0 450.988 4.341 20 0 JIADRN CC(C)c1ccc([C@H](CNC(=O)NCCc2cnn(C)c2)N2CCc3sccc3C2)cc1 ZINC001317862919 1066739864 /nfs/dbraw/zinc/73/98/64/1066739864.db2.gz FCPXYGLUGTWJNA-QHCPKHFHSA-N 0 0 451.640 4.246 20 0 JIADRN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317863170 1066739958 /nfs/dbraw/zinc/73/99/58/1066739958.db2.gz GTEVIPBYPKGOOE-RUZDIDTESA-N 0 0 467.573 4.101 20 0 JIADRN COC(=O)[C@@H](NCC(=O)N[C@@H](C)c1cccc2ccccc21)c1ccccc1OC(F)(F)F ZINC001348373988 1066740568 /nfs/dbraw/zinc/74/05/68/1066740568.db2.gz YSSJFTIEGMOIEW-NYHFZMIOSA-N 0 0 460.452 4.420 20 0 JIADRN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCN(c2ncnc3sccc32)CC1 ZINC001317867548 1066742908 /nfs/dbraw/zinc/74/29/08/1066742908.db2.gz SVXHNNBDSNBYFO-UHFFFAOYSA-N 0 0 450.499 4.372 20 0 JIADRN Cc1noc(C)c1CSc1ncccc1C(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317867481 1066743017 /nfs/dbraw/zinc/74/30/17/1066743017.db2.gz GJTFUCMKJRKHJV-UHFFFAOYSA-N 0 0 478.496 4.157 20 0 JIADRN O=C(Nc1nnc2ccc(Cl)nn21)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001317868134 1066743458 /nfs/dbraw/zinc/74/34/58/1066743458.db2.gz MNJFUFYPFFIAMA-QGZVFWFLSA-N 0 0 458.703 4.299 20 0 JIADRN C[C@H](OC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC001317868082 1066743510 /nfs/dbraw/zinc/74/35/10/1066743510.db2.gz ZYWIJUDMMRHZQT-LBPRGKRZSA-N 0 0 457.845 4.016 20 0 JIADRN O=C(CCC1CCCC1)N1CCN(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)CC1 ZINC001317870636 1066745266 /nfs/dbraw/zinc/74/52/66/1066745266.db2.gz CTDHTQLQVYETDZ-XMMPIXPASA-N 0 0 463.626 4.133 20 0 JIADRN Cc1cccc(C(=O)N2CCCN(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)CC2)c1 ZINC001317871695 1066745630 /nfs/dbraw/zinc/74/56/30/1066745630.db2.gz 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CSc1ccccc1NC(=O)CN(C)C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC001354859455 1067210002 /nfs/dbraw/zinc/21/00/02/1067210002.db2.gz PPRHIACBBALCFX-UHFFFAOYSA-N 0 0 451.361 4.439 20 0 JIADRN Cc1c(Cl)cccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC001351802276 1067209994 /nfs/dbraw/zinc/20/99/94/1067209994.db2.gz HNFWCBXGMUAGQR-UHFFFAOYSA-N 0 0 452.894 4.325 20 0 JIADRN CCOc1ccc(-n2c(-c3cccnc3)nn(CN3CCN(C(=O)CC(C)C)CC3)c2=S)cc1 ZINC001321783407 1067210280 /nfs/dbraw/zinc/21/02/80/1067210280.db2.gz LHANZFBKJSOTGT-UHFFFAOYSA-N 0 0 480.638 4.012 20 0 JIADRN Cc1cc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)ccc1Oc1ccc(Cl)cc1Cl ZINC001351806633 1067210962 /nfs/dbraw/zinc/21/09/62/1067210962.db2.gz UOSBFRVNVTUOQY-KRWDZBQOSA-N 0 0 457.379 4.134 20 0 JIADRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001321783794 1067211348 /nfs/dbraw/zinc/21/13/48/1067211348.db2.gz QCMOPRJVPKTDDU-UHFFFAOYSA-N 0 0 450.520 4.325 20 0 JIADRN O=C1Cc2cccc(NC(=S)Nc3c(F)cc(Br)cc3Br)c2CN1 ZINC001200803090 1067211493 /nfs/dbraw/zinc/21/14/93/1067211493.db2.gz XLTBBXYKQSXQSF-UHFFFAOYSA-N 0 0 473.165 4.332 20 0 JIADRN Cc1cccc(N2N=C(C(=O)Nc3cccc(OCC(=O)Nc4ccccc4)c3)CCC2=O)c1 ZINC001321784466 1067212782 /nfs/dbraw/zinc/21/27/82/1067212782.db2.gz ZPRZAPTWBZKMDT-UHFFFAOYSA-N 0 0 456.502 4.134 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001300739029 1067212779 /nfs/dbraw/zinc/21/27/79/1067212779.db2.gz NENNNRFUILJDLC-VXSCBNMQSA-N 0 0 469.630 4.500 20 0 JIADRN CCCCS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001351815391 1067212756 /nfs/dbraw/zinc/21/27/56/1067212756.db2.gz KUULKIVZLLMOPE-IBGZPJMESA-N 0 0 453.486 4.002 20 0 JIADRN OC[C@H](CNC(=S)Nc1c(F)cc(Br)cc1Br)c1ccccc1 ZINC001200803496 1067213353 /nfs/dbraw/zinc/21/33/53/1067213353.db2.gz AFZFIDRROQNLDT-NSHDSACASA-N 0 0 462.182 4.413 20 0 JIADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1OC ZINC001321798398 1067213396 /nfs/dbraw/zinc/21/33/96/1067213396.db2.gz RHXILBGTAJLHSZ-UHFFFAOYSA-N 0 0 470.485 4.140 20 0 JIADRN O=c1ccc2c([nH]1)CC[C@H](NC(=S)Nc1c(F)cc(Br)cc1Br)C2 ZINC001200803481 1067213522 /nfs/dbraw/zinc/21/35/22/1067213522.db2.gz FZGMCRLLXRHMNJ-JTQLQIEISA-N 0 0 475.181 4.295 20 0 JIADRN CCC(=O)N[C@H]1CC[C@H](NC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200803655 1067214627 /nfs/dbraw/zinc/21/46/27/1067214627.db2.gz FCRZBHOQUCFZND-XYPYZODXSA-N 0 0 481.229 4.475 20 0 JIADRN OCCc1cccc(CNC(=S)Nc2c(F)cc(Br)cc2Br)c1 ZINC001200804092 1067216273 /nfs/dbraw/zinc/21/62/73/1067216273.db2.gz ISUKGZGVXBHUCZ-UHFFFAOYSA-N 0 0 462.182 4.372 20 0 JIADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001351829267 1067217025 /nfs/dbraw/zinc/21/70/25/1067217025.db2.gz QAHAUDNOZOZJME-HOTGVXAUSA-N 0 0 454.514 4.302 20 0 JIADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC001351828390 1067217197 /nfs/dbraw/zinc/21/71/97/1067217197.db2.gz FMKCTQVOWUSAEQ-UHFFFAOYSA-N 0 0 456.520 4.031 20 0 JIADRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cn(CCNC(=O)OC(C)(C)C)nn3)c2)C1 ZINC001351832298 1067218948 /nfs/dbraw/zinc/21/89/48/1067218948.db2.gz JOJGPMLCIWLLSW-FXAWDEMLSA-N 0 0 457.575 4.150 20 0 JIADRN CCCc1c(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cnn1-c1cccc(C)c1 ZINC001351832943 1067218978 /nfs/dbraw/zinc/21/89/78/1067218978.db2.gz PMRXHMKZSGFIPE-VWLOTQADSA-N 0 0 450.558 4.076 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccsc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492492133 1067219618 /nfs/dbraw/zinc/21/96/18/1067219618.db2.gz DBFNWPRBYRCNNL-SFHVURJKSA-N 0 0 453.612 4.190 20 0 JIADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC001354866317 1067220038 /nfs/dbraw/zinc/22/00/38/1067220038.db2.gz MXIOWMLULYZRQN-UHFFFAOYSA-N 0 0 450.491 4.182 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)n1 ZINC001321874696 1067220553 /nfs/dbraw/zinc/22/05/53/1067220553.db2.gz FTYCTICQEIXPIY-KRWDZBQOSA-N 0 0 479.512 4.071 20 0 JIADRN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC001351841295 1067220790 /nfs/dbraw/zinc/22/07/90/1067220790.db2.gz DUYMGUTVCKAWDO-SNVBAGLBSA-N 0 0 459.351 4.008 20 0 JIADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)/C=C/c2ccc(I)o2)cc1 ZINC001354867156 1067221657 /nfs/dbraw/zinc/22/16/57/1067221657.db2.gz SPKAMMHAHKEJQP-PKNBQFBNSA-N 0 0 453.276 4.169 20 0 JIADRN CC(=O)N1CCCc2cc(NC(=O)c3ccccc3-n3ncc(Cl)c(Cl)c3=O)ccc21 ZINC001351850772 1067222774 /nfs/dbraw/zinc/22/27/74/1067222774.db2.gz DQBDEAWVWPMHOZ-UHFFFAOYSA-N 0 0 457.317 4.091 20 0 JIADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2c(C)cc(Br)cc2C)cc1 ZINC001351850775 1067222795 /nfs/dbraw/zinc/22/27/95/1067222795.db2.gz DTLQKOKWTWHGRB-HNNXBMFYSA-N 0 0 453.402 4.073 20 0 JIADRN CCCOc1ccc(CNC(=O)c2nc(Br)ccc2Br)cc1OC ZINC001351853675 1067222896 /nfs/dbraw/zinc/22/28/96/1067222896.db2.gz IBYFCVYXLZQVPT-UHFFFAOYSA-N 0 0 458.150 4.334 20 0 JIADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C(=O)N1CCCC1 ZINC001351853802 1067223275 /nfs/dbraw/zinc/22/32/75/1067223275.db2.gz LCTHPGRXDZGDLW-UHFFFAOYSA-N 0 0 459.340 4.214 20 0 JIADRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cn(Cc2ccccn2)nn1 ZINC001351854833 1067223995 /nfs/dbraw/zinc/22/39/95/1067223995.db2.gz UWBUZMDDGHMBLX-HZPDHXFCSA-N 0 0 452.946 4.030 20 0 JIADRN CCc1ccc(-c2nc(C(=O)OCC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cs2)cc1 ZINC001321904871 1067225655 /nfs/dbraw/zinc/22/56/55/1067225655.db2.gz XRKGVUMIDGNZCI-OAQYLSRUSA-N 0 0 454.523 4.269 20 0 JIADRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccc(F)c(F)c1 ZINC001321904702 1067225813 /nfs/dbraw/zinc/22/58/13/1067225813.db2.gz UXHKNZFQORVJHM-NSHDSACASA-N 0 0 494.379 4.494 20 0 JIADRN CCCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1Cl ZINC001351859831 1067226687 /nfs/dbraw/zinc/22/66/87/1067226687.db2.gz OQAUMNCMUMDVNF-IYBDPMFKSA-N 0 0 450.988 4.343 20 0 JIADRN COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001321913306 1067227628 /nfs/dbraw/zinc/22/76/28/1067227628.db2.gz QLDDPXIUXQTAJL-AWEZNQCLSA-N 0 0 490.329 4.159 20 0 JIADRN C[C@H](NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccc(OCc2ccccn2)c1 ZINC001354870589 1067227805 /nfs/dbraw/zinc/22/78/05/1067227805.db2.gz ABIPVIPKDDWFTF-REWPJTCUSA-N 0 0 459.546 4.497 20 0 JIADRN Cc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c(Br)c1 ZINC001354872961 1067228901 /nfs/dbraw/zinc/22/89/01/1067228901.db2.gz LGOXDXJWHSWFNS-UHFFFAOYSA-N 0 0 451.386 4.113 20 0 JIADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc2)C1 ZINC001321931251 1067228982 /nfs/dbraw/zinc/22/89/82/1067228982.db2.gz HXOKTMBKWBHVGF-HSZRJFAPSA-N 0 0 479.584 4.171 20 0 JIADRN CCOC(=O)[C@@H]1CC[C@@H](NC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200806253 1067230433 /nfs/dbraw/zinc/23/04/33/1067230433.db2.gz LJQWOMCAJSFLNL-PSASIEDQSA-N 0 0 468.186 4.369 20 0 JIADRN CCc1occc1C(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1 ZINC001351884053 1067230881 /nfs/dbraw/zinc/23/08/81/1067230881.db2.gz HELPPWAUDRLJOS-SBUREZEXSA-N 0 0 457.548 4.458 20 0 JIADRN 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454.951 4.200 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CC(F)(F)CO1 ZINC001300238109 1067938095 /nfs/dbraw/zinc/93/80/95/1067938095.db2.gz ZAXZSZYRHCKEIO-FUHWJXTLSA-N 0 0 456.921 4.242 20 0 JIADRN Cc1ccc(CC(=O)N2CCN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001357910952 1067938979 /nfs/dbraw/zinc/93/89/79/1067938979.db2.gz KHDWDIGNHZDVAA-UHFFFAOYSA-N 0 0 457.452 4.196 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001300238524 1067940466 /nfs/dbraw/zinc/94/04/66/1067940466.db2.gz MSGZGFVHFRFHEZ-UHFFFAOYSA-N 0 0 471.989 4.252 20 0 JIADRN COC[C@@]1(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCCN1C(=O)OC(C)(C)C ZINC001357914291 1067941311 /nfs/dbraw/zinc/94/13/11/1067941311.db2.gz CIGJVGCQEVCHGZ-RUZDIDTESA-N 0 0 459.587 4.057 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCO1 ZINC001300238607 1067941779 /nfs/dbraw/zinc/94/17/79/1067941779.db2.gz PVVLUBPCDLTMNZ-GOSISDBHSA-N 0 0 490.029 4.137 20 0 JIADRN 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CC(C)c1ccc([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC001357927590 1067945155 /nfs/dbraw/zinc/94/51/55/1067945155.db2.gz OZQFWYVPWRCXJL-HXUWFJFHSA-N 0 0 454.636 4.325 20 0 JIADRN CCc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001357927102 1067945191 /nfs/dbraw/zinc/94/51/91/1067945191.db2.gz ICDLNCGUZCAWBL-UHFFFAOYSA-N 0 0 459.319 4.047 20 0 JIADRN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(I)c(C)cc1C ZINC001357928790 1067946415 /nfs/dbraw/zinc/94/64/15/1067946415.db2.gz VODOTDROZMHOFJ-UHFFFAOYSA-N 0 0 450.320 4.181 20 0 JIADRN Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC001353246389 1067948916 /nfs/dbraw/zinc/94/89/16/1067948916.db2.gz FRNZEFRHXUTPAY-HSZRJFAPSA-N 0 0 458.649 4.490 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001300240678 1067949371 /nfs/dbraw/zinc/94/93/71/1067949371.db2.gz AIFCXWORQPTYDW-HXUWFJFHSA-N 0 0 460.022 4.387 20 0 JIADRN C[C@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC001357936079 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O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)NN1CCc2ccccc2C1 ZINC001200383438 1068337864 /nfs/dbraw/zinc/33/78/64/1068337864.db2.gz CRGAZFMYHCGFBY-UHFFFAOYSA-N 0 0 457.502 4.034 20 0 JIADRN CCCCc1ccc(NC(=S)Nc2ncc(I)nc2C(=O)OC)cc1 ZINC001200383826 1068339449 /nfs/dbraw/zinc/33/94/49/1068339449.db2.gz VMYNNELLKAWZHR-UHFFFAOYSA-N 0 0 470.336 4.019 20 0 JIADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC001200383990 1068339721 /nfs/dbraw/zinc/33/97/21/1068339721.db2.gz KMIQYLCGFTWMRQ-MSOLQXFVSA-N 0 0 452.548 4.441 20 0 JIADRN Cc1cc(NC(=O)C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3cccc(Cl)c3)CC2)no1 ZINC000522372305 1068339855 /nfs/dbraw/zinc/33/98/55/1068339855.db2.gz BHFPBOCKTMLSNF-QIJUGHKUSA-N 0 0 499.011 4.287 20 0 JIADRN COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C[C@@H]1c1ccccc1 ZINC001200384273 1068341637 /nfs/dbraw/zinc/34/16/37/1068341637.db2.gz UGYNYNZLXPMYRF-DHIUTWEWSA-N 0 0 479.577 4.400 20 0 JIADRN 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470.973 4.126 20 0 JIADRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164888794 721376018 /nfs/dbraw/zinc/37/60/18/721376018.db2.gz WVPVXEGVLGMUJP-SFHVURJKSA-N 0 0 479.380 4.266 20 0 JIADRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164780156 721381927 /nfs/dbraw/zinc/38/19/27/721381927.db2.gz FBPQTKYZPIVALY-VLCRHTCISA-N 0 0 499.949 4.151 20 0 JIADRN c1ccc(CN2CCc3c(ncnc3N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)C2)cc1 ZINC001164781406 721384329 /nfs/dbraw/zinc/38/43/29/721384329.db2.gz JOODKEHVBAESGO-VAVYLYDRSA-N 0 0 485.632 4.022 20 0 JIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164787877 721384381 /nfs/dbraw/zinc/38/43/81/721384381.db2.gz XWHTVDYCCPPAOM-JTSKRJEESA-N 0 0 481.927 4.054 20 0 JIADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl ZINC001164788407 721384764 /nfs/dbraw/zinc/38/47/64/721384764.db2.gz YYTQQTXQTXTCLB-DYESRHJHSA-N 0 0 453.917 4.276 20 0 JIADRN 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COc1cccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCCSC)c1 ZINC001315578245 1064639435 /nfs/dbraw/zinc/63/94/35/1064639435.db2.gz GOTDVIOKJCQEPU-UHFFFAOYSA-N 0 0 464.433 4.292 20 0 JIADRN COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)(C)C)n2CC[S@](=O)C(C)(C)C)c1 ZINC001315578429 1064639826 /nfs/dbraw/zinc/63/98/26/1064639826.db2.gz VFFKHEJFWPAHEF-VTLMBFNKSA-N 0 0 476.687 4.317 20 0 JIADRN COc1cccc(Cn2c(C3CCC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1OC ZINC001315579966 1064643770 /nfs/dbraw/zinc/64/37/70/1064643770.db2.gz KHZUIQJHIOOZOK-UHFFFAOYSA-N 0 0 485.629 4.352 20 0 JIADRN COc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001315580215 1064643929 /nfs/dbraw/zinc/64/39/29/1064643929.db2.gz SQKYQBHCFNKNAK-IBGZPJMESA-N 0 0 478.597 4.151 20 0 JIADRN COc1cccc(CO[C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3c[nH]nc3C)C2)c1 ZINC001315581023 1064645169 /nfs/dbraw/zinc/64/51/69/1064645169.db2.gz CLDHPRRYDACCHV-QHCPKHFHSA-N 0 0 466.630 4.335 20 0 JIADRN 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C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(F)cc2F)CCN1C(=O)OC(C)(C)C ZINC001316487052 1066408912 /nfs/dbraw/zinc/40/89/12/1066408912.db2.gz IOMTTZJQZJYICR-MRXNPFEDSA-N 0 0 470.524 4.112 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)C[C@H]1C(F)(F)F ZINC001316487032 1066408986 /nfs/dbraw/zinc/40/89/86/1066408986.db2.gz HMAPJXGBQGQVNO-TZMCWYRMSA-N 0 0 467.293 4.181 20 0 JIADRN S=c1n(CN2CCCN3c4ccccc4C[C@H]3C2)nc(-c2cccs2)n1C[C@H]1CCCO1 ZINC001335330977 1066410365 /nfs/dbraw/zinc/41/03/65/1066410365.db2.gz KJFZVPXTXSVMEY-VQTJNVASSA-N 0 0 467.664 4.416 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001316488347 1066414791 /nfs/dbraw/zinc/41/47/91/1066414791.db2.gz VDPLOLJMEMJEEN-HMXCVIKNSA-N 0 0 477.650 4.028 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C)C(=O)[C@@H]2C)n1 ZINC001492526355 1066415380 /nfs/dbraw/zinc/41/53/80/1066415380.db2.gz VNTKRFONGNYGLG-INIZCTEOSA-N 0 0 473.408 4.255 20 0 JIADRN 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C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001350199910 1066930558 /nfs/dbraw/zinc/93/05/58/1066930558.db2.gz KLUQGDMDMHRXQA-CQSZACIVSA-N 0 0 455.755 4.353 20 0 JIADRN CCc1ccc([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC001350200740 1066930582 /nfs/dbraw/zinc/93/05/82/1066930582.db2.gz RGDUJRNBWCXGQH-HXUWFJFHSA-N 0 0 450.604 4.429 20 0 JIADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCc2cccc(Cl)c2)c1 ZINC001350199146 1066930607 /nfs/dbraw/zinc/93/06/07/1066930607.db2.gz JUSSUUVXSQCYAR-QGZVFWFLSA-N 0 0 454.979 4.452 20 0 JIADRN Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC001350211581 1066931923 /nfs/dbraw/zinc/93/19/23/1066931923.db2.gz UFGGTNKLLQRIFY-ZDUSSCGKSA-N 0 0 451.474 4.134 20 0 JIADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C ZINC001350218634 1066932254 /nfs/dbraw/zinc/93/22/54/1066932254.db2.gz FGUJTJCMACOZLL-UHFFFAOYSA-N 0 0 456.568 4.214 20 0 JIADRN O=C(COC(=O)c1cc(F)ccc1I)c1ccc(Br)s1 ZINC001318163971 1066932554 /nfs/dbraw/zinc/93/25/54/1066932554.db2.gz RPAKFBVUWQRYKY-UHFFFAOYSA-N 0 0 469.069 4.294 20 0 JIADRN Cc1cccnc1C(F)(F)C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1 ZINC001350219915 1066932630 /nfs/dbraw/zinc/93/26/30/1066932630.db2.gz GQTLZLBVQSHBAE-UHFFFAOYSA-N 0 0 450.438 4.052 20 0 JIADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ccnn3Cc3cccc4ccccc43)cc2)C1 ZINC001318163879 1066932823 /nfs/dbraw/zinc/93/28/23/1066932823.db2.gz DNORDTVCMZXVIN-QFIPXVFZSA-N 0 0 453.546 4.039 20 0 JIADRN CCn1cc(N=c2scc(-c3cc(C)[nH]c3C)n2Cc2ccccc2NS(C)(=O)=O)cn1 ZINC001318164938 1066933019 /nfs/dbraw/zinc/93/30/19/1066933019.db2.gz PIXSJWBMTDGRJF-UHFFFAOYSA-N 0 0 470.624 4.030 20 0 JIADRN COc1cc(OC)cc(N2C[C@H](C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)CC2=O)c1 ZINC001350220621 1066933106 /nfs/dbraw/zinc/93/31/06/1066933106.db2.gz LWEDXKBDLPUIKG-GFCCVEGCSA-N 0 0 459.474 4.097 20 0 JIADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)C2=O)cc1 ZINC001350225563 1066933581 /nfs/dbraw/zinc/93/35/81/1066933581.db2.gz KJSGUYHADCQVDO-BWCLHNGZSA-N 0 0 450.560 4.492 20 0 JIADRN Cc1cc(C)c(-c2csc(NC(=O)c3cn(C)nc3I)n2)cc1C ZINC001350227143 1066933796 /nfs/dbraw/zinc/93/37/96/1066933796.db2.gz CAOUVJDRGKRZJJ-UHFFFAOYSA-N 0 0 452.321 4.326 20 0 JIADRN O=C(N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001318168781 1066936110 /nfs/dbraw/zinc/93/61/10/1066936110.db2.gz WCGAOPJJRVNYOJ-QFIPXVFZSA-N 0 0 483.406 4.472 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)cc(Br)c2)c1 ZINC001350243642 1066936417 /nfs/dbraw/zinc/93/64/17/1066936417.db2.gz NKUUXUSFCZIWBF-UHFFFAOYSA-N 0 0 455.374 4.049 20 0 JIADRN CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC001350251848 1066937619 /nfs/dbraw/zinc/93/76/19/1066937619.db2.gz LCZMFIOKMSZWKK-SJKOYZFVSA-N 0 0 453.923 4.049 20 0 JIADRN COC(=O)COc1c(C)cc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1C ZINC001350259067 1066937971 /nfs/dbraw/zinc/93/79/71/1066937971.db2.gz MQWNZJNASMKRTC-UHFFFAOYSA-N 0 0 450.491 4.090 20 0 JIADRN O=C(COC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Nc1ncc(C(F)(F)F)cc1Cl ZINC001318172105 1066938022 /nfs/dbraw/zinc/93/80/22/1066938022.db2.gz SBNPRGWKYHVNRI-UHFFFAOYSA-N 0 0 465.819 4.007 20 0 JIADRN CCOc1ccc2c(c1)CN(C(=O)c1ccc(OCC(=O)Nc3cccc(OC)c3)cc1)CC2 ZINC001318172276 1066938075 /nfs/dbraw/zinc/93/80/75/1066938075.db2.gz RJERILXWXLRXSP-UHFFFAOYSA-N 0 0 460.530 4.310 20 0 JIADRN CN1C(=O)CO[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)[C@H]1c1cccnc1 ZINC001350260056 1066938357 /nfs/dbraw/zinc/93/83/57/1066938357.db2.gz SJDWPXLMSDWOAH-MSOLQXFVSA-N 0 0 463.346 4.049 20 0 JIADRN O=C(NCCOc1ccc2c(c1)CCC2)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001318172374 1066938362 /nfs/dbraw/zinc/93/83/62/1066938362.db2.gz ZBYFUOFXEDNBFH-FQEVSTJZSA-N 0 0 450.514 4.332 20 0 JIADRN O=C(Nc1cc(N2CCOC2=O)ccc1F)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001318172363 1066938474 /nfs/dbraw/zinc/93/84/74/1066938474.db2.gz YUQKWQGJSXJYPT-OAHLLOKOSA-N 0 0 469.448 4.383 20 0 JIADRN O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001318173838 1066939582 /nfs/dbraw/zinc/93/95/82/1066939582.db2.gz PBHBZXAEDHHZAV-MRXNPFEDSA-N 0 0 481.482 4.226 20 0 JIADRN CCn1cnnc1-c1cccc(NC(=O)c2cc(I)c(F)cc2F)c1 ZINC001350275283 1066939666 /nfs/dbraw/zinc/93/96/66/1066939666.db2.gz BOSQKLLYPMUGPT-UHFFFAOYSA-N 0 0 454.218 4.100 20 0 JIADRN CCCc1nnc(NC(=O)c2cc(Br)cc(I)c2)s1 ZINC001350272756 1066939777 /nfs/dbraw/zinc/93/97/77/1066939777.db2.gz LKHXWGZQYUQRNM-UHFFFAOYSA-N 0 0 452.115 4.110 20 0 JIADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001318174066 1066939787 /nfs/dbraw/zinc/93/97/87/1066939787.db2.gz RBXHDGFJYWZIFU-DEOSSOPVSA-N 0 0 492.620 4.411 20 0 JIADRN CCOC(=O)c1c2c(sc1NC(=O)c1nc(C3CC3)n(-c3ccccc3)n1)CSCC2 ZINC001318174688 1066939885 /nfs/dbraw/zinc/93/98/85/1066939885.db2.gz MVZQIKMYTNMKSH-UHFFFAOYSA-N 0 0 454.577 4.425 20 0 JIADRN CCC(CC)N(CCOC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001350284410 1066940068 /nfs/dbraw/zinc/94/00/68/1066940068.db2.gz UEWMBMDBLOSTEI-QGZVFWFLSA-N 0 0 453.421 4.273 20 0 JIADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCCc1coc(-c2ccccc2)n1 ZINC001318176936 1066941083 /nfs/dbraw/zinc/94/10/83/1066941083.db2.gz LBBAICPEZDDPCA-LJQANCHMSA-N 0 0 461.566 4.201 20 0 JIADRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)c1 ZINC001350295380 1066941463 /nfs/dbraw/zinc/94/14/63/1066941463.db2.gz NBVXJWHPJJBRJO-UHFFFAOYSA-N 0 0 451.479 4.151 20 0 JIADRN COC(=O)c1ccc(-c2nc(COC(=O)c3nc(C4CC4)n(-c4ccccc4)n3)cs2)cc1 ZINC001318178754 1066941780 /nfs/dbraw/zinc/94/17/80/1066941780.db2.gz PZSPRHIYXJPKER-UHFFFAOYSA-N 0 0 460.515 4.412 20 0 JIADRN CC(C)c1ccc(-c2noc(CCC(=O)OCc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC001318180528 1066942820 /nfs/dbraw/zinc/94/28/20/1066942820.db2.gz ZJICWXLEMGLXKY-UHFFFAOYSA-N 0 0 462.462 4.315 20 0 JIADRN O=C(CC1CCCCC1)NC1CCC(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001318180933 1066942846 /nfs/dbraw/zinc/94/28/46/1066942846.db2.gz MWRSYPOBRGMLHD-HQNXYIODSA-N 0 0 453.627 4.053 20 0 JIADRN Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc(Cl)c1Br ZINC001350318256 1066942782 /nfs/dbraw/zinc/94/27/82/1066942782.db2.gz SGKHMUKIGFUFQN-UHFFFAOYSA-N 0 0 457.155 4.253 20 0 JIADRN CCN1C(=O)C[C@H](C(=O)OCCc2cc3cc(Br)ccc3o2)[C@H]1c1cccnc1 ZINC001350313997 1066942889 /nfs/dbraw/zinc/94/28/89/1066942889.db2.gz MWJSNROMQXCNOQ-GHTZIAJQSA-N 0 0 457.324 4.286 20 0 JIADRN CCOc1ccc(NC(=O)c2ccc(F)c(SC)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001350335401 1066944522 /nfs/dbraw/zinc/94/45/22/1066944522.db2.gz RQRSMUODOKRMDE-UHFFFAOYSA-N 0 0 452.573 4.373 20 0 JIADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001318183316 1066944638 /nfs/dbraw/zinc/94/46/38/1066944638.db2.gz WKGGMMFERFKNBD-CQSZACIVSA-N 0 0 481.366 4.245 20 0 JIADRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3nnn(Cc4ccc(F)cc4)c3C)n2)cc1 ZINC001350337706 1066945158 /nfs/dbraw/zinc/94/51/58/1066945158.db2.gz WJRFBALZDMICSK-UHFFFAOYSA-N 0 0 450.499 4.108 20 0 JIADRN CCCC(CCC)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001350349889 1066946032 /nfs/dbraw/zinc/94/60/32/1066946032.db2.gz ZTGREYKNWTZYJL-UHFFFAOYSA-N 0 0 454.942 4.408 20 0 JIADRN COC(=O)c1cc(Br)ccc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC001350346406 1066946237 /nfs/dbraw/zinc/94/62/37/1066946237.db2.gz YFMYZCYNLYCEGP-UHFFFAOYSA-N 0 0 454.324 4.471 20 0 JIADRN CCOc1ccccc1OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001350359131 1066947138 /nfs/dbraw/zinc/94/71/38/1066947138.db2.gz QVOYUGPZIVLAOY-OAHLLOKOSA-N 0 0 450.304 4.445 20 0 JIADRN COC(=O)[C@H](CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)NC(=O)OCc1ccccc1 ZINC001350358381 1066947249 /nfs/dbraw/zinc/94/72/49/1066947249.db2.gz BFVRINPIXGAMBS-DEOSSOPVSA-N 0 0 458.514 4.445 20 0 JIADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001318188099 1066947638 /nfs/dbraw/zinc/94/76/38/1066947638.db2.gz FYGNLOSJYHQXFU-HNNXBMFYSA-N 0 0 460.452 4.008 20 0 JIADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)C1 ZINC001350362394 1066948255 /nfs/dbraw/zinc/94/82/55/1066948255.db2.gz VTIITCYDCMAWMP-RDTXWAMCSA-N 0 0 453.942 4.110 20 0 JIADRN COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc(OC)c1OC(F)F ZINC001350361979 1066948326 /nfs/dbraw/zinc/94/83/26/1066948326.db2.gz NYJICIDWJNUTPZ-UHFFFAOYSA-N 0 0 454.857 4.447 20 0 JIADRN COc1ccc(-c2cc(NC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)ccc2OC)cc1 ZINC001318188556 1066948322 /nfs/dbraw/zinc/94/83/22/1066948322.db2.gz IYLVFKRCSUIZEV-UHFFFAOYSA-N 0 0 465.472 4.436 20 0 JIADRN C[C@@H](C(=O)Nc1cccc(I)c1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188227 1066948395 /nfs/dbraw/zinc/94/83/95/1066948395.db2.gz RNLUQRFMVOKPBM-XOBRGWDASA-N 0 0 489.357 4.066 20 0 JIADRN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ncc2cc(Cl)ccn21 ZINC001350368617 1066948626 /nfs/dbraw/zinc/94/86/26/1066948626.db2.gz CDNVHASVVUFQTK-QGZVFWFLSA-N 0 0 450.848 4.100 20 0 JIADRN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccnc(-c2ccccc2)n1 ZINC001350369188 1066948715 /nfs/dbraw/zinc/94/87/15/1066948715.db2.gz DWHVHGXDZALMDG-FQEVSTJZSA-N 0 0 454.452 4.256 20 0 JIADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001318191994 1066949728 /nfs/dbraw/zinc/94/97/28/1066949728.db2.gz PEJLYGLSBCQJOX-UHFFFAOYSA-N 0 0 462.509 4.347 20 0 JIADRN CSc1cc(-c2csc(=NCCc3ccccn3)n2C[C@H]2CCOC2)ccc1NC(C)=O ZINC001318192016 1066949889 /nfs/dbraw/zinc/94/98/89/1066949889.db2.gz ANRUJPGBRTWNBX-GOSISDBHSA-N 0 0 468.648 4.472 20 0 JIADRN C[C@H](OC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC001318193434 1066950679 /nfs/dbraw/zinc/95/06/79/1066950679.db2.gz FFJRDHYRYOTPGL-HNNXBMFYSA-N 0 0 459.531 4.452 20 0 JIADRN O=C(NCCc1coc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC001318193962 1066951308 /nfs/dbraw/zinc/95/13/08/1066951308.db2.gz KCXOVESKLJUTPS-HSZRJFAPSA-N 0 0 455.514 4.164 20 0 JIADRN COc1cccc(-n2c(C)nnc2SCC(=O)N2CCC(Nc3ccccc3Cl)CC2)c1 ZINC001318194220 1066951347 /nfs/dbraw/zinc/95/13/47/1066951347.db2.gz IRCYPFCGHSJTOJ-UHFFFAOYSA-N 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Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)n(-c2cccc(Br)c2)n1 ZINC001351864009 1067227700 /nfs/dbraw/zinc/22/77/00/1067227700.db2.gz OGBYIEXTDVNRKE-UHFFFAOYSA-N 0 0 457.719 4.430 20 0 JIADRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C/C=C\c1ccc(Br)cc1 ZINC001351881624 1067228883 /nfs/dbraw/zinc/22/88/83/1067228883.db2.gz JYIUOWHHVSPLHE-IHWYPQMZSA-N 0 0 459.340 4.114 20 0 JIADRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC001351881462 1067228957 /nfs/dbraw/zinc/22/89/57/1067228957.db2.gz GPYMMODGSCDCOX-UHFFFAOYSA-N 0 0 451.548 4.302 20 0 JIADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)COc2ccccc2F)c1 ZINC001321943270 1067229905 /nfs/dbraw/zinc/22/99/05/1067229905.db2.gz WBBHMZCFRVOKHR-SFHVURJKSA-N 0 0 486.565 4.165 20 0 JIADRN O=C(/C=C/c1ccccc1OCc1ccccc1)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001351886793 1067231803 /nfs/dbraw/zinc/23/18/03/1067231803.db2.gz HISXPDIAWGDYBK-CCEZHUSRSA-N 0 0 458.533 4.331 20 0 JIADRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001351884422 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WXVQZSYEVGGYKC-UHFFFAOYSA-N 0 0 455.470 4.365 20 0 JIADRN O=C(NCCOc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001351902946 1067237538 /nfs/dbraw/zinc/23/75/38/1067237538.db2.gz SGRFBWDDTMVUCN-KRWDZBQOSA-N 0 0 453.336 4.150 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492492373 1067237589 /nfs/dbraw/zinc/23/75/89/1067237589.db2.gz LPBYCTQPJQCWMJ-UHFFFAOYSA-N 0 0 458.010 4.146 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@H]2CSc3ccccc3O2)c1 ZINC001351903830 1067238664 /nfs/dbraw/zinc/23/86/64/1067238664.db2.gz FPZBANAQAYCPAU-AWEZNQCLSA-N 0 0 455.001 4.252 20 0 JIADRN Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001492492492 1067239448 /nfs/dbraw/zinc/23/94/48/1067239448.db2.gz CDXYZQXBNADGIQ-VGSWGCGISA-N 0 0 480.440 4.132 20 0 JIADRN O=C(Nc1ccn(Cc2ccncc2)n1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000500255030 1067239272 /nfs/dbraw/zinc/23/92/72/1067239272.db2.gz SIXSGNAHZGYFDB-UHFFFAOYSA-N 0 0 467.938 4.033 20 0 JIADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC001351905202 1067239397 /nfs/dbraw/zinc/23/93/97/1067239397.db2.gz JWAWGAKBCJZCDE-INIZCTEOSA-N 0 0 453.402 4.215 20 0 JIADRN O=C(Nc1ccn(Cc2ccncc2)n1)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000500264722 1067240863 /nfs/dbraw/zinc/24/08/63/1067240863.db2.gz LYNIQKCRYPXEIG-JRXUVTBESA-N 0 0 483.616 4.209 20 0 JIADRN Cc1cccc(OCc2nnc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)n2CCCOC(C)C)c1 ZINC001492549472 1067241824 /nfs/dbraw/zinc/24/18/24/1067241824.db2.gz BUTPKMGHDFJQDF-SZPZYZBQSA-N 0 0 499.656 4.284 20 0 JIADRN CC(C)(C)c1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)s1 ZINC001354883272 1067241967 /nfs/dbraw/zinc/24/19/67/1067241967.db2.gz JEXMDBVPUKASJC-BOPFTXTBSA-N 0 0 458.561 4.241 20 0 JIADRN O=C(Nc1ccc(Sc2nncs2)cc1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001322038042 1067242186 /nfs/dbraw/zinc/24/21/86/1067242186.db2.gz MKTAPSOZRRUCEW-UHFFFAOYSA-N 0 0 459.354 4.285 20 0 JIADRN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=S)Nc1c(F)cc(Br)cc1Br 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COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC001300761807 1067301691 /nfs/dbraw/zinc/30/16/91/1067301691.db2.gz OBCIKVXBXMPERC-QMTMVMCOSA-N 0 0 457.395 4.285 20 0 JIADRN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1C ZINC001352153932 1067301640 /nfs/dbraw/zinc/30/16/40/1067301640.db2.gz YBPSXEFMGICCLR-UHFFFAOYSA-N 0 0 454.636 4.427 20 0 JIADRN Cc1cccc(C)c1OCCn1c(-c2cccnc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001492493239 1067301815 /nfs/dbraw/zinc/30/18/15/1067301815.db2.gz OAJGBFCWXKLRRL-PKOBYXMFSA-N 0 0 461.488 4.192 20 0 JIADRN CCc1c(C(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)ccn1C ZINC001352155177 1067302002 /nfs/dbraw/zinc/30/20/02/1067302002.db2.gz IOZXECPVSUMKJY-LJQANCHMSA-N 0 0 455.555 4.396 20 0 JIADRN CC[C@@H](C)[C@@H](NC(=O)c1nnn(CCOc2ccc(F)cc2)c1C)c1nc2ccccc2[nH]1 ZINC001354951659 1067302155 /nfs/dbraw/zinc/30/21/55/1067302155.db2.gz IVDAVRGGUDLOGE-QVKFZJNVSA-N 0 0 450.518 4.198 20 0 JIADRN COc1cc(NC(=O)CSc2nnc3n2c2ccccc2n3C(C)C)cc(OC)c1OC ZINC000847204235 1067302845 /nfs/dbraw/zinc/30/28/45/1067302845.db2.gz IXZTULAIWOXCOK-UHFFFAOYSA-N 0 0 455.540 4.022 20 0 JIADRN CCN(CC)C(=O)C1=C(C)N(c2ccccc2F)C(=S)N[C@H]1c1ccc(OCCOC)cc1 ZINC001322566578 1067302870 /nfs/dbraw/zinc/30/28/70/1067302870.db2.gz YQEXYVCQXYBLMP-QHCPKHFHSA-N 0 0 471.598 4.429 20 0 JIADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC001352160461 1067302859 /nfs/dbraw/zinc/30/28/59/1067302859.db2.gz AGFACHPCYJYSBY-UHFFFAOYSA-N 0 0 452.902 4.032 20 0 JIADRN C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001354956194 1067304077 /nfs/dbraw/zinc/30/40/77/1067304077.db2.gz IPBRXXOPVQEJCY-WMLDXEAASA-N 0 0 453.008 4.412 20 0 JIADRN COc1cc(COC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cc(Cl)c1OC(F)F ZINC001354957639 1067304120 /nfs/dbraw/zinc/30/41/20/1067304120.db2.gz IOOCJJZXXRQAEG-KBXCAEBGSA-N 0 0 457.832 4.352 20 0 JIADRN O=C(NCCN1C(=O)COc2ccccc21)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001322590347 1067304417 /nfs/dbraw/zinc/30/44/17/1067304417.db2.gz PURFQLWOLMZDOR-UHFFFAOYSA-N 0 0 474.904 4.212 20 0 JIADRN CN1CCN(C(=O)CCOc2cccc(I)c2)c2cc(Cl)ccc21 ZINC001354959095 1067304959 /nfs/dbraw/zinc/30/49/59/1067304959.db2.gz ZEFDXXQJBDHOQP-UHFFFAOYSA-N 0 0 456.711 4.197 20 0 JIADRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 ZINC001352166637 1067304939 /nfs/dbraw/zinc/30/49/39/1067304939.db2.gz XHFABMITJRVVRU-UHFFFAOYSA-N 0 0 453.340 4.126 20 0 JIADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccccc2SCCC(N)=O)cc1 ZINC001322592358 1067305214 /nfs/dbraw/zinc/30/52/14/1067305214.db2.gz XNSVOGUQPZGKBM-UHFFFAOYSA-N 0 0 459.575 4.316 20 0 JIADRN CCN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)cc1 ZINC001322613160 1067306244 /nfs/dbraw/zinc/30/62/44/1067306244.db2.gz BZZCOCQGLCMASV-JOCHJYFZSA-N 0 0 496.608 4.301 20 0 JIADRN COc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1OC(F)F ZINC001352183217 1067306683 /nfs/dbraw/zinc/30/66/83/1067306683.db2.gz DSWODPCEGGTKMG-SJORKVTESA-N 0 0 454.514 4.433 20 0 JIADRN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001354964993 1067308308 /nfs/dbraw/zinc/30/83/08/1067308308.db2.gz FKAJMEXASRPGKL-CQSZACIVSA-N 0 0 453.377 4.234 20 0 JIADRN COc1ccc(-c2ncc(C(=O)N3CCN(C(=O)CC4CCCCC4)CC3)s2)cc1OC ZINC001352195561 1067308444 /nfs/dbraw/zinc/30/84/44/1067308444.db2.gz YGSWRTHTVDGLQL-UHFFFAOYSA-N 0 0 457.596 4.082 20 0 JIADRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001352198043 1067308477 /nfs/dbraw/zinc/30/84/77/1067308477.db2.gz BJUJCAMTXMDBTN-OAHLLOKOSA-N 0 0 450.942 4.350 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@@H](OC(=O)/C=C\C2CCOCC2)c2ccccc2)cc1 ZINC001352199491 1067308738 /nfs/dbraw/zinc/30/87/38/1067308738.db2.gz SWEMOOYKZGGAFQ-VARGYJHFSA-N 0 0 457.592 4.271 20 0 JIADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2csc(Cl)n2)c1 ZINC001352198618 1067308827 /nfs/dbraw/zinc/30/88/27/1067308827.db2.gz MNKVIDAFEPPAHK-UHFFFAOYSA-N 0 0 451.957 4.273 20 0 JIADRN Cc1csc2nc(COC(=O)c3nc(-c4ccc(F)cc4)n4c3CCCCC4)cc(=O)n12 ZINC001322814730 1067309010 /nfs/dbraw/zinc/30/90/10/1067309010.db2.gz FZXXIEQWPDNGNE-UHFFFAOYSA-N 0 0 452.511 4.150 20 0 JIADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1 ZINC001352202245 1067309333 /nfs/dbraw/zinc/30/93/33/1067309333.db2.gz LBHAWSZHETXZPI-MWTRTKDXSA-N 0 0 459.568 4.098 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC001352203168 1067309803 /nfs/dbraw/zinc/30/98/03/1067309803.db2.gz NCFIFKLNIOCKAY-ZBFHGGJFSA-N 0 0 453.377 4.079 20 0 JIADRN CC[C@@H](C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001354967890 1067309742 /nfs/dbraw/zinc/30/97/42/1067309742.db2.gz QRBPPVZLNOPQSK-GOSISDBHSA-N 0 0 450.457 4.075 20 0 JIADRN O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC001322872556 1067309908 /nfs/dbraw/zinc/30/99/08/1067309908.db2.gz UBZZEFKHIXVGLI-UHFFFAOYSA-N 0 0 495.605 4.490 20 0 JIADRN O=C(Nc1nnc2ccc(Cl)nn21)c1cccnc1SCc1cccc(Br)c1 ZINC001322874498 1067310480 /nfs/dbraw/zinc/31/04/80/1067310480.db2.gz PWHRPIMSNTWNOF-UHFFFAOYSA-N 0 0 475.759 4.480 20 0 JIADRN CC(C)(C)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 ZINC001352209012 1067310745 /nfs/dbraw/zinc/31/07/45/1067310745.db2.gz WBXDNRBWAANWHY-UDWIEESQSA-N 0 0 452.532 4.179 20 0 JIADRN C[C@@H](OC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC001322933133 1067311460 /nfs/dbraw/zinc/31/14/60/1067311460.db2.gz DSBKXIQPQRLRLO-DNVCBOLYSA-N 0 0 465.531 4.010 20 0 JIADRN COc1ccc(-c2csc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)n2)cc1Cl ZINC001352216130 1067311405 /nfs/dbraw/zinc/31/14/05/1067311405.db2.gz SNXRLHHLRFLMOI-UHFFFAOYSA-N 0 0 450.969 4.447 20 0 JIADRN COc1cc(CCNc2nc(C(F)(F)F)ccc2I)cc(OC)c1 ZINC001472904333 1067311524 /nfs/dbraw/zinc/31/15/24/1067311524.db2.gz LOXQGZSDCCLJKM-UHFFFAOYSA-N 0 0 452.214 4.377 20 0 JIADRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2[nH]c3ccc(C)cc3c2Cl)c(=O)n(-c2ccccc2)n1C ZINC001322934898 1067311870 /nfs/dbraw/zinc/31/18/70/1067311870.db2.gz RDNMKKYWZGHNIF-OAHLLOKOSA-N 0 0 466.925 4.112 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)NC1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001200830209 1067312871 /nfs/dbraw/zinc/31/28/71/1067312871.db2.gz TYPBGZJRFNHLAG-UHFFFAOYSA-N 0 0 458.436 4.173 20 0 JIADRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)[C@H](C)Cc3c(C)nn(C)c3C)n2)cc1 ZINC001352224882 1067312806 /nfs/dbraw/zinc/31/28/06/1067312806.db2.gz MODCUIJNXLTCSH-OAHLLOKOSA-N 0 0 453.612 4.046 20 0 JIADRN CCc1ccc([C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)cc1 ZINC001323085456 1067313978 /nfs/dbraw/zinc/31/39/78/1067313978.db2.gz DCOIDEZHCAFMDK-HSZRJFAPSA-N 0 0 455.555 4.348 20 0 JIADRN Cc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3C[C@@H](C)C(F)(F)[C@@H](C)C3)c[nH]c21 ZINC001492552140 1067314328 /nfs/dbraw/zinc/31/43/28/1067314328.db2.gz RFZVDWCTKXMHEV-CALCHBBNSA-N 0 0 458.557 4.176 20 0 JIADRN Cc1cccc(OCCn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c1 ZINC001492552119 1067314387 /nfs/dbraw/zinc/31/43/87/1067314387.db2.gz UXTQRAWZIXICTC-NRFANRHFSA-N 0 0 453.631 4.091 20 0 JIADRN Cc1ccccc1C(C)(C)CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001352236761 1067314610 /nfs/dbraw/zinc/31/46/10/1067314610.db2.gz GMTKARLCGJQACO-MRXNPFEDSA-N 0 0 452.414 4.261 20 0 JIADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccccc3OCc3ccc(F)cc3)C2)c1 ZINC001354979523 1067315231 /nfs/dbraw/zinc/31/52/31/1067315231.db2.gz SASUHQABPZZFBD-HXUWFJFHSA-N 0 0 450.510 4.431 20 0 JIADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC001323179457 1067315864 /nfs/dbraw/zinc/31/58/64/1067315864.db2.gz CPSFSESGIMBZNN-UHFFFAOYSA-N 0 0 484.500 4.468 20 0 JIADRN Cc1cccc(OCCn2c(N3CCO[C@H](c4nnc(C(C)C)o4)C3)nnc2C(C)(C)C)c1 ZINC001492552236 1067316313 /nfs/dbraw/zinc/31/63/13/1067316313.db2.gz XSACWQAHVVNWPE-IBGZPJMESA-N 0 0 454.575 4.047 20 0 JIADRN Cc1ccc(OS(=O)(=O)c2cccc(OC(F)(F)F)c2)c(I)c1 ZINC001475013538 1067316833 /nfs/dbraw/zinc/31/68/33/1067316833.db2.gz QCHDIWNBMHCWIS-UHFFFAOYSA-N 0 0 458.195 4.266 20 0 JIADRN CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001352249155 1067317602 /nfs/dbraw/zinc/31/76/02/1067317602.db2.gz QUQQJTPBYYVDQZ-VFNWGFHPSA-N 0 0 450.341 4.001 20 0 JIADRN CS(=O)(=O)Nc1ccccc1CNc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl ZINC001323336108 1067318229 /nfs/dbraw/zinc/31/82/29/1067318229.db2.gz AUIUIZLAVWWTAJ-UHFFFAOYSA-N 0 0 473.769 4.176 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCOCCC(C)C ZINC001492579806 1067318179 /nfs/dbraw/zinc/31/81/79/1067318179.db2.gz QOQTVEPWECMSHX-GJZUVCINSA-N 0 0 456.631 4.014 20 0 JIADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCCC12CCCCC2 ZINC001300770930 1067319202 /nfs/dbraw/zinc/31/92/02/1067319202.db2.gz WKTGFKFDEKUNGD-MRXNPFEDSA-N 0 0 452.926 4.256 20 0 JIADRN CO[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)C1 ZINC001300770976 1067319268 /nfs/dbraw/zinc/31/92/68/1067319268.db2.gz FOTRJRQQVVEMST-RZUBCFFCSA-N 0 0 491.677 4.213 20 0 JIADRN Cc1cccc(C)c1OCCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492494963 1067319748 /nfs/dbraw/zinc/31/97/48/1067319748.db2.gz MMUJPBMBZNGYAG-LVXARBLLSA-N 0 0 472.630 4.018 20 0 JIADRN CC1=C(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)[C@H](C)n2ncnc2N1C ZINC001352263650 1067319866 /nfs/dbraw/zinc/31/98/66/1067319866.db2.gz UAFVGQSGWWCXDZ-VIFPVBQESA-N 0 0 451.375 4.149 20 0 JIADRN CO[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOCC(F)F)C1 ZINC001300771692 1067320039 /nfs/dbraw/zinc/32/00/39/1067320039.db2.gz DKQCABATFYRADD-IBGZPJMESA-N 0 0 452.546 4.052 20 0 JIADRN CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001300771753 1067320610 /nfs/dbraw/zinc/32/06/10/1067320610.db2.gz DWAVYYXALYRYAT-NLINSNCNSA-N 0 0 476.687 4.451 20 0 JIADRN COc1ccc(Br)cc1-c1nc(C(=O)Nc2ccc(-n3cncn3)cc2)cs1 ZINC001352267689 1067320728 /nfs/dbraw/zinc/32/07/28/1067320728.db2.gz ZGNALXGVHKOTQF-UHFFFAOYSA-N 0 0 456.325 4.414 20 0 JIADRN COc1ccc(Br)cc1NCC(=O)Nc1ccc(I)cc1 ZINC001323465006 1067321392 /nfs/dbraw/zinc/32/13/92/1067321392.db2.gz NRVQKDSIMLYRGX-UHFFFAOYSA-N 0 0 461.097 4.113 20 0 JIADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cnn(Cc2ccccc2)c1Cl ZINC001352271109 1067322639 /nfs/dbraw/zinc/32/26/39/1067322639.db2.gz WEJOCGLSPUGHPY-NRFANRHFSA-N 0 0 459.377 4.042 20 0 JIADRN CO[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001300772561 1067322731 /nfs/dbraw/zinc/32/27/31/1067322731.db2.gz AUBRAVJGCPRGFY-RBUKOAKNSA-N 0 0 463.648 4.095 20 0 JIADRN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC001352276298 1067323062 /nfs/dbraw/zinc/32/30/62/1067323062.db2.gz JVBSTSKLVPMKDB-UHFFFAOYSA-N 0 0 453.539 4.226 20 0 JIADRN C[C@@H]1CN(Cc2csc(NC(=O)c3nc(Br)sc3C3CC3)n2)C[C@@H](C)O1 ZINC001352276328 1067323270 /nfs/dbraw/zinc/32/32/70/1067323270.db2.gz DAJYKGWGLJIONH-NXEZZACHSA-N 0 0 457.419 4.101 20 0 JIADRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1-n1cnnn1 ZINC001352277518 1067323594 /nfs/dbraw/zinc/32/35/94/1067323594.db2.gz ZEFDFRROFAWGLC-UHFFFAOYSA-N 0 0 450.296 4.256 20 0 JIADRN Cc1nc(SCC(C)C)sc1CC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001352277721 1067323631 /nfs/dbraw/zinc/32/36/31/1067323631.db2.gz PLXSLXCBZNELKO-KBPBESRZSA-N 0 0 454.687 4.447 20 0 JIADRN Cc1ccccc1C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CCC1 ZINC001352278954 1067323917 /nfs/dbraw/zinc/32/39/17/1067323917.db2.gz YFIINHVEJLOGQI-UHFFFAOYSA-N 0 0 454.636 4.247 20 0 JIADRN Cc1oc(-c2ccccc2)c(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C ZINC001352288382 1067325148 /nfs/dbraw/zinc/32/51/48/1067325148.db2.gz JIQFPIGCHSVNDY-UHFFFAOYSA-N 0 0 452.576 4.455 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C\c3ccsc3C(F)(F)F)CC2)cc1 ZINC001352288533 1067325414 /nfs/dbraw/zinc/32/54/14/1067325414.db2.gz OKAHYBXMHFCRNN-DAXSKMNVSA-N 0 0 458.527 4.058 20 0 JIADRN CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001300773333 1067325465 /nfs/dbraw/zinc/32/54/65/1067325465.db2.gz PNGYRRMARQFWJG-NRFANRHFSA-N 0 0 495.590 4.363 20 0 JIADRN O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001323675711 1067325924 /nfs/dbraw/zinc/32/59/24/1067325924.db2.gz TWJLYLHBQRMAQG-UYAOXDASSA-N 0 0 483.417 4.428 20 0 JIADRN Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c1 ZINC001352289783 1067326268 /nfs/dbraw/zinc/32/62/68/1067326268.db2.gz OSRKYEUNMZZOHH-NRFANRHFSA-N 0 0 451.523 4.094 20 0 JIADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC001352298616 1067327200 /nfs/dbraw/zinc/32/72/00/1067327200.db2.gz SLDJZMLVKQSXGS-UHFFFAOYSA-N 0 0 457.719 4.430 20 0 JIADRN Cc1c(I)cccc1NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC001200836576 1067327721 /nfs/dbraw/zinc/32/77/21/1067327721.db2.gz XUXLBKWOCQIKHL-CYBMUJFWSA-N 0 0 451.308 4.469 20 0 JIADRN O=C(CC1CCOCC1)N[C@@H](c1ccc(F)cc1)c1ccccc1I ZINC001352300435 1067328060 /nfs/dbraw/zinc/32/80/60/1067328060.db2.gz PTFLUOGGNUTHIZ-FQEVSTJZSA-N 0 0 453.295 4.453 20 0 JIADRN O=C(Nc1ccc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)cc1)c1ccc(=O)[nH]c1 ZINC001323882540 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CC(C)(C)OC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001359567996 1069920142 /nfs/dbraw/zinc/92/01/42/1069920142.db2.gz BKFOAHLMPJMQJT-PMACEKPBSA-N 0 0 477.650 4.076 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC2CC(OC(C)(C)C)C2)C1 ZINC001359568593 1069923710 /nfs/dbraw/zinc/92/37/10/1069923710.db2.gz OSEABRDPOATVAJ-OMYXNUHHSA-N 0 0 491.677 4.117 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCc2ccccc2)CCO1 ZINC001359569431 1069929851 /nfs/dbraw/zinc/92/98/51/1069929851.db2.gz HNPYOZKEAVRIFR-QFIPXVFZSA-N 0 0 497.665 4.293 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C(F)(F)F)CCO1 ZINC001359569522 1069929965 /nfs/dbraw/zinc/92/99/65/1069929965.db2.gz JNTLJBPYWAYIBM-KRWDZBQOSA-N 0 0 497.562 4.373 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CC2)CCO1 ZINC001359570075 1069932117 /nfs/dbraw/zinc/93/21/17/1069932117.db2.gz VQSPEVABWFLBHH-OAQYLSRUSA-N 0 0 469.630 4.383 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001359570276 1069933536 /nfs/dbraw/zinc/93/35/36/1069933536.db2.gz ZFLSPHNLFIMYBU-FNZWTVRRSA-N 0 0 475.678 4.303 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001359570459 1069934558 /nfs/dbraw/zinc/93/45/58/1069934558.db2.gz DCAQLVIXZDTCSA-FQEVSTJZSA-N 0 0 490.599 4.440 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(Cc2ccccn2)nnc1N1CCC(c2nccs2)CC1 ZINC001359570732 1069937355 /nfs/dbraw/zinc/93/73/55/1069937355.db2.gz KIPSMYXBTDSXPP-UHFFFAOYSA-N 0 0 497.669 4.409 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001359570742 1069937390 /nfs/dbraw/zinc/93/73/90/1069937390.db2.gz KOAKVTAUBMWASY-LJQANCHMSA-N 0 0 472.634 4.429 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 ZINC001359571004 1069938808 /nfs/dbraw/zinc/93/88/08/1069938808.db2.gz SCICPUDLQSKKAH-GOTSBHOMSA-N 0 0 499.656 4.273 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(Cc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 ZINC001359570565 1069935653 /nfs/dbraw/zinc/93/56/53/1069935653.db2.gz HGCZOIIYEKMBMR-UHFFFAOYSA-N 0 0 487.620 4.462 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001359571445 1069943032 /nfs/dbraw/zinc/94/30/32/1069943032.db2.gz HPDZIFUDJGNRBE-LEWJYISDSA-N 0 0 471.602 4.482 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001359571600 1069943989 /nfs/dbraw/zinc/94/39/89/1069943989.db2.gz NFRQZESORSCRBG-QGZVFWFLSA-N 0 0 487.004 4.499 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001359571551 1069944142 /nfs/dbraw/zinc/94/41/42/1069944142.db2.gz LQFKZKRAPNLZST-PXNSSMCTSA-N 0 0 459.566 4.004 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001359571581 1069944418 /nfs/dbraw/zinc/94/44/18/1069944418.db2.gz MLGLTKADVRNELY-OAQYLSRUSA-N 0 0 473.593 4.253 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001359572134 1069948336 /nfs/dbraw/zinc/94/83/36/1069948336.db2.gz FAMVXDIBHFUIHX-UHFFFAOYSA-N 0 0 497.619 4.036 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001359572335 1069949616 /nfs/dbraw/zinc/94/96/16/1069949616.db2.gz KCOANCVXVJCBKT-GOSISDBHSA-N 0 0 494.681 4.232 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001359572300 1069949688 /nfs/dbraw/zinc/94/96/88/1069949688.db2.gz JHVRLCGFVKFIPI-QHCPKHFHSA-N 0 0 499.656 4.311 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001359573455 1069955936 /nfs/dbraw/zinc/95/59/36/1069955936.db2.gz VQPGIBRHVNGENN-BETUJISGSA-N 0 0 482.448 4.386 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1 ZINC001359572793 1069953005 /nfs/dbraw/zinc/95/30/05/1069953005.db2.gz XNBSSZGIWQJYAA-QGZVFWFLSA-N 0 0 459.501 4.380 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001359573015 1069954232 /nfs/dbraw/zinc/95/42/32/1069954232.db2.gz GUYBIFNOFUEMHE-SFHVURJKSA-N 0 0 476.622 4.031 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(C2CC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001359573272 1069954957 /nfs/dbraw/zinc/95/49/57/1069954957.db2.gz PEWUMSZMBXFBNH-UHFFFAOYSA-N 0 0 461.010 4.415 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCSCc2ccccc2)C1 ZINC001359574604 1069960696 /nfs/dbraw/zinc/96/06/96/1069960696.db2.gz CXDDZBFUURTUPP-HXUWFJFHSA-N 0 0 495.653 4.162 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2cccc(F)c2)C1 ZINC001359574553 1069960256 /nfs/dbraw/zinc/96/02/56/1069960256.db2.gz BGFKZVTUPNQXCV-HXUWFJFHSA-N 0 0 452.534 4.021 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001359574369 1069960319 /nfs/dbraw/zinc/96/03/19/1069960319.db2.gz WIGIVMYYDPDJMY-FXAWDEMLSA-N 0 0 471.602 4.188 20 0 JIADRN 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COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(C)nn(C)c2C)c(OC)c1 ZINC001315483721 1064349408 /nfs/dbraw/zinc/34/94/08/1064349408.db2.gz TWHLIVDCVMOOEP-ZJSXRUAMSA-N 0 0 496.656 4.249 20 0 JIADRN COc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)cn1 ZINC001315484317 1064351701 /nfs/dbraw/zinc/35/17/01/1064351701.db2.gz IAMHYRNHSPLQTH-LJQANCHMSA-N 0 0 483.016 4.186 20 0 JIADRN COc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCCCC2)cn1 ZINC001315484488 1064352476 /nfs/dbraw/zinc/35/24/76/1064352476.db2.gz LESZDGHYRYDJPC-UHFFFAOYSA-N 0 0 483.016 4.330 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)CC(C)(C)C2)cn1 ZINC001315484563 1064352620 /nfs/dbraw/zinc/35/26/20/1064352620.db2.gz OPEORVDKUZIKKD-QGZVFWFLSA-N 0 0 462.598 4.472 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N(Cc2ccccc2)C[C@H]2CCCO2)c(OC)n1 ZINC001315484649 1064353258 /nfs/dbraw/zinc/35/32/58/1064353258.db2.gz RMTYLOKTRUKQSR-OAQYLSRUSA-N 0 0 451.571 4.048 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1OC ZINC001315487908 1064363573 /nfs/dbraw/zinc/36/35/73/1064363573.db2.gz MLQXNAVGXFXSIP-UHFFFAOYSA-N 0 0 492.527 4.461 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cnn(C)c2)cc1 ZINC001315487996 1064363634 /nfs/dbraw/zinc/36/36/34/1064363634.db2.gz RLPIHEQOQKPKEQ-UHFFFAOYSA-N 0 0 473.400 4.196 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](C(F)F)C2)c(OC)c1OC ZINC001315488630 1064365764 /nfs/dbraw/zinc/36/57/64/1064365764.db2.gz VSKKLNCHEBVZEK-INIZCTEOSA-N 0 0 462.497 4.402 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC=C(C)C2)cc1F ZINC001315488530 1064365824 /nfs/dbraw/zinc/36/58/24/1064365824.db2.gz PMBSFIJKTMZUFO-UHFFFAOYSA-N 0 0 460.351 4.399 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H]2CCSC2)cn1 ZINC001315489050 1064367926 /nfs/dbraw/zinc/36/79/26/1064367926.db2.gz JKLYMYFTPZHHMO-QUCCMNQESA-N 0 0 453.612 4.429 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCCC2(C)C)c(OC)c1 ZINC001315489335 1064368795 /nfs/dbraw/zinc/36/87/95/1064368795.db2.gz XNIHLPIHYMYXGH-UHFFFAOYSA-N 0 0 474.403 4.490 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c(OC)n1 ZINC001315489402 1064369721 /nfs/dbraw/zinc/36/97/21/1064369721.db2.gz YKWMDAKLFYNOJW-GUYCJALGSA-N 0 0 497.905 4.215 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)[C@H](C)C2)c(OC)n1 ZINC001315489738 1064370344 /nfs/dbraw/zinc/37/03/44/1064370344.db2.gz RXJSVXFAUFFAHK-ZIAGYGMSSA-N 0 0 490.377 4.399 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)c(OC)n1 ZINC001315489907 1064371027 /nfs/dbraw/zinc/37/10/27/1064371027.db2.gz CWOFXHXAFRURSV-UHFFFAOYSA-N 0 0 475.471 4.113 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2c(C)nn(C)c2C)cc1 ZINC001315489789 1064371184 /nfs/dbraw/zinc/37/11/84/1064371184.db2.gz UIZWPCMHRPVDOT-UHFFFAOYSA-N 0 0 451.962 4.037 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cn1 ZINC001315490354 1064372704 /nfs/dbraw/zinc/37/27/04/1064372704.db2.gz RXRYJDUMOKJHHN-SJORKVTESA-N 0 0 455.534 4.013 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2C[C@H](C)OC(C)(C)C2)c(OC)n1 ZINC001315491005 1064374877 /nfs/dbraw/zinc/37/48/77/1064374877.db2.gz WNHWNSUMOOVUSI-AZUAARDMSA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C(C)(C)C)C2)cn1 ZINC001315491737 1064377003 /nfs/dbraw/zinc/37/70/03/1064377003.db2.gz UYMIMJBJLIIIGH-IBGZPJMESA-N 0 0 486.414 4.411 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1Br ZINC001315491998 1064377108 /nfs/dbraw/zinc/37/71/08/1064377108.db2.gz MDSVXRSUZLSHNJ-HXUWFJFHSA-N 0 0 486.414 4.411 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1F ZINC001315492967 1064379291 /nfs/dbraw/zinc/37/92/91/1064379291.db2.gz KJAZPTBJUIIMOU-JXFKEZNVSA-N 0 0 473.593 4.481 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC001315493088 1064380259 /nfs/dbraw/zinc/38/02/59/1064380259.db2.gz OTZFLGNXZVBXRX-FQEVSTJZSA-N 0 0 453.631 4.371 20 0 JIADRN COc1ccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2c(C)noc2C)c(C(F)(F)F)c1 ZINC001315493833 1064381539 /nfs/dbraw/zinc/38/15/39/1064381539.db2.gz LVADLPSLKHMYET-UHFFFAOYSA-N 0 0 473.459 4.052 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1Cl ZINC001315493743 1064381771 /nfs/dbraw/zinc/38/17/71/1064381771.db2.gz BDQJSOHAOVVPFW-NQIIRXRSSA-N 0 0 490.048 4.361 20 0 JIADRN COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(Cl)=C(Cl)C2)cc1Br ZINC001315493967 1064382556 /nfs/dbraw/zinc/38/25/56/1064382556.db2.gz ODVGGESJANVSSI-UHFFFAOYSA-N 0 0 496.196 4.454 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCOC(C)(C)[C@H]2C)cc1Br ZINC001315494229 1064383046 /nfs/dbraw/zinc/38/30/46/1064383046.db2.gz HEDXIAHKICZVMY-BEFAXECRSA-N 0 0 479.419 4.343 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCCCCO)cc1 ZINC001315494269 1064383177 /nfs/dbraw/zinc/38/31/77/1064383177.db2.gz HQDDASUCWXUJHK-OAQYLSRUSA-N 0 0 487.645 4.048 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315494294 1064383186 /nfs/dbraw/zinc/38/31/86/1064383186.db2.gz IDEIIIAGPLLJKA-BSIFCXSSSA-N 0 0 489.592 4.065 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c(F)c1 ZINC001315494386 1064383745 /nfs/dbraw/zinc/38/37/45/1064383745.db2.gz JTIKRNKTJKGFDI-OAHLLOKOSA-N 0 0 455.500 4.205 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(CC(C)C)C2CCCC2)c(OC)c1OC ZINC001315495205 1064386920 /nfs/dbraw/zinc/38/69/20/1064386920.db2.gz DWUNGCAFTYLEAH-LJQANCHMSA-N 0 0 458.603 4.261 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001315496213 1064388576 /nfs/dbraw/zinc/38/85/76/1064388576.db2.gz CWMCCFQTYUUTMT-QFBILLFUSA-N 0 0 475.609 4.412 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCS[C@H](C)[C@@H]2C)cc1Br ZINC001315495922 1064388659 /nfs/dbraw/zinc/38/86/59/1064388659.db2.gz KUXVPNYUZQQYQY-ZMSDIMECSA-N 0 0 481.460 4.322 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CCSC)c(C(F)(F)F)c1 ZINC001315496720 1064389241 /nfs/dbraw/zinc/38/92/41/1064389241.db2.gz UCYMHKRPCMTDKY-GDBMZVCRSA-N 0 0 458.550 4.436 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)c2nccs2)cc1OC(F)F ZINC001315496763 1064389351 /nfs/dbraw/zinc/38/93/51/1064389351.db2.gz ULLLSEQIBQMPLX-HOCLYGCPSA-N 0 0 479.553 4.137 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(O)(c3c(F)cccc3F)CC2)cn1 ZINC001315497828 1064391678 /nfs/dbraw/zinc/39/16/78/1064391678.db2.gz CWEFJHFUMJOPTD-UHFFFAOYSA-N 0 0 471.552 4.085 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(OC)c1 ZINC001315498860 1064394570 /nfs/dbraw/zinc/39/45/70/1064394570.db2.gz MPHGFSYJYTVTPW-IBGZPJMESA-N 0 0 471.646 4.063 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Cl)c(F)c2)cn1 ZINC001315498700 1064394706 /nfs/dbraw/zinc/39/47/06/1064394706.db2.gz GVEUTLZZHSTBCY-UHFFFAOYSA-N 0 0 452.921 4.145 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H]2[C@@H]2CCCO2)cc1Br ZINC001315499533 1064396973 /nfs/dbraw/zinc/39/69/73/1064396973.db2.gz BJCLKFLVYHQKBM-ICSRJNTNSA-N 0 0 463.420 4.444 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(OC(C)C)CC2)cc1Cl ZINC001315499431 1064397251 /nfs/dbraw/zinc/39/72/51/1064397251.db2.gz MZMVWCINKOFKNY-UHFFFAOYSA-N 0 0 455.990 4.368 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1OC ZINC001315499846 1064398751 /nfs/dbraw/zinc/39/87/51/1064398751.db2.gz WLYPBJLYZYFBDB-HXUWFJFHSA-N 0 0 485.673 4.311 20 0 JIADRN COc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)c(OC)n1 ZINC001315500621 1064401029 /nfs/dbraw/zinc/40/10/29/1064401029.db2.gz ZANLFRSPPYYBEG-IYBDPMFKSA-N 0 0 474.030 4.313 20 0 JIADRN COc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cn1 ZINC001315502286 1064405253 /nfs/dbraw/zinc/40/52/53/1064405253.db2.gz QGSTXXYQLSEFBE-FQEVSTJZSA-N 0 0 475.515 4.063 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@](C)(OC)CC2)c(OC)c1OC ZINC001315502881 1064407090 /nfs/dbraw/zinc/40/70/90/1064407090.db2.gz FEZMKQFINBGVGR-RUZDIDTESA-N 0 0 486.638 4.400 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1Cl ZINC001315503198 1064408230 /nfs/dbraw/zinc/40/82/30/1064408230.db2.gz AIZYWGXQVJVAJG-IRXDYDNUSA-N 0 0 461.035 4.180 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCS[C@H](C)[C@H]2C)cc1Cl ZINC001315503196 1064408266 /nfs/dbraw/zinc/40/82/66/1064408266.db2.gz AIZYWGXQVJVAJG-IAGOWNOFSA-N 0 0 461.035 4.180 20 0 JIADRN COc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)C[C@H](C)C2)c(OC)n1 ZINC001315503182 1064408291 /nfs/dbraw/zinc/40/82/91/1064408291.db2.gz AIAYUAMCMDOAHU-KDURUIRLSA-N 0 0 465.598 4.417 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](CC(C)C)C2)c(OC)c1OC ZINC001315503624 1064409903 /nfs/dbraw/zinc/40/99/03/1064409903.db2.gz HPVCXHWQUUDKLW-FQEVSTJZSA-N 0 0 482.629 4.086 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)CC2)c(C(F)(F)F)c1 ZINC001315503557 1064409915 /nfs/dbraw/zinc/40/99/15/1064409915.db2.gz 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001316277224 1066029705 /nfs/dbraw/zinc/02/97/05/1066029705.db2.gz LFKQNBWRWVRKEC-SRYPRDQNSA-N 0 0 458.578 4.401 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2cccs2)n1CCc1ccc(F)c(F)c1 ZINC001316278165 1066031758 /nfs/dbraw/zinc/03/17/58/1066031758.db2.gz SSPYLINKDHDWED-UWJYYQICSA-N 0 0 462.566 4.263 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H](C)COCc1ccccc1 ZINC001316279157 1066032845 /nfs/dbraw/zinc/03/28/45/1066032845.db2.gz BNIRBFVAIWKCKR-VVBFRCHSSA-N 0 0 456.631 4.337 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCOc1ccc(F)c(Cl)c1 ZINC001316279488 1066033088 /nfs/dbraw/zinc/03/30/88/1066033088.db2.gz CAKZXXDWFDNCFA-JJDSTIRJSA-N 0 0 466.985 4.498 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCOc2ccc(Cl)cc2)n1C[C@@]1(C)CCCS1 ZINC001316279388 1066033283 /nfs/dbraw/zinc/03/32/83/1066033283.db2.gz PPYDYUVMPRXYDV-KPDCDPCYSA-N 0 0 481.062 4.456 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccco2)C(C)C)n1Cc1ccnc(SC)c1 ZINC001316280132 1066033931 /nfs/dbraw/zinc/03/39/31/1066033931.db2.gz LXFCJIZQHDJNHW-RXVVDRJESA-N 0 0 457.600 4.175 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001316280010 1066034077 /nfs/dbraw/zinc/03/40/77/1066034077.db2.gz UVFAIPXLKNMKSQ-REWPJTCUSA-N 0 0 469.630 4.400 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCC(C)C ZINC001316281461 1066035634 /nfs/dbraw/zinc/03/56/34/1066035634.db2.gz HGTLMMDOSWQQDD-KBPBESRZSA-N 0 0 458.447 4.369 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001316281912 1066036662 /nfs/dbraw/zinc/03/66/62/1066036662.db2.gz LIDWRNBDERGSNH-TUFLPTIASA-N 0 0 491.677 4.322 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001316281913 1066036793 /nfs/dbraw/zinc/03/67/93/1066036793.db2.gz LIDWRNBDERGSNH-WOZUAGRISA-N 0 0 491.677 4.322 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCCC1(C)C ZINC001316282665 1066037676 /nfs/dbraw/zinc/03/76/76/1066037676.db2.gz PKBNEPPKGHFPLP-SXYSDOLCSA-N 0 0 491.677 4.178 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)=C(Br)C2)n1CCCC1CCOCC1 ZINC001316283991 1066039670 /nfs/dbraw/zinc/03/96/70/1066039670.db2.gz ARZGOILNVDQBSA-ICSRJNTNSA-N 0 0 483.451 4.088 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CCCOc1cccc(OC)c1 ZINC001316284346 1066040080 /nfs/dbraw/zinc/04/00/80/1066040080.db2.gz WMZXKAMLGDZUHX-MXBUBSDBSA-N 0 0 458.603 4.105 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001316284381 1066040699 /nfs/dbraw/zinc/04/06/99/1066040699.db2.gz WVLACQHSKTVFKX-IWFBPKFRSA-N 0 0 477.650 4.026 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCSc1ccc(C)cc1 ZINC001316284649 1066041029 /nfs/dbraw/zinc/04/10/29/1066041029.db2.gz YDRCLHYQXSAOOM-ZJOUEHCJSA-N 0 0 460.644 4.107 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CCCC(F)(F)F ZINC001316284813 1066041492 /nfs/dbraw/zinc/04/14/92/1066041492.db2.gz HGNCNKJJOCATTF-LNLFQRSKSA-N 0 0 456.484 4.478 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCCC(F)(F)F ZINC001316285890 1066042922 /nfs/dbraw/zinc/04/29/22/1066042922.db2.gz VPJXJIKXIIAFND-BJLQDIEVSA-N 0 0 468.520 4.250 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Oc3ccc(OC)cc3)CC2)n1CC(C)(C)SC ZINC001316287675 1066045053 /nfs/dbraw/zinc/04/50/53/1066045053.db2.gz WAJKKXKUQCXPSR-AVRDEDQJSA-N 0 0 490.670 4.200 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1cccc(NC(=O)OC)c1 ZINC001316287958 1066045829 /nfs/dbraw/zinc/04/58/29/1066045829.db2.gz ZLMIHWZZTKFHQG-CUWPLCDZSA-N 0 0 471.602 4.101 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCC(C)(F)F ZINC001316288685 1066047278 /nfs/dbraw/zinc/04/72/78/1066047278.db2.gz VFZLLSQLXBQXIH-LOUJCGABSA-N 0 0 453.361 4.068 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1c(C)cc(C)cc1C ZINC001316289123 1066048056 /nfs/dbraw/zinc/04/80/56/1066048056.db2.gz IXOCBMQIRSUFKJ-UNMCSNQZSA-N 0 0 495.590 4.050 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CCC(C)C ZINC001316290515 1066049760 /nfs/dbraw/zinc/04/97/60/1066049760.db2.gz HDCUHEONCRBLRP-SCTDSRPQSA-N 0 0 470.540 4.105 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001316290637 1066049839 /nfs/dbraw/zinc/04/98/39/1066049839.db2.gz IBJMAMQIWPHGAD-KAMZKSLDSA-N 0 0 497.684 4.245 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(Br)C2)n1CCCOc1ccc(C)cc1 ZINC001316290841 1066050082 /nfs/dbraw/zinc/05/00/82/1066050082.db2.gz OSDYEVHMVUTDQJ-RXVVDRJESA-N 0 0 491.430 4.269 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](C)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001316291062 1066051213 /nfs/dbraw/zinc/05/12/13/1066051213.db2.gz GZVPVVNGHBXFID-MWRIXTAVSA-N 0 0 463.022 4.190 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](SC)C2)n1Cc1cc(F)ccc1F ZINC001316291701 1066052379 /nfs/dbraw/zinc/05/23/79/1066052379.db2.gz LITLLMSJNMDFKV-QSFXBCCZSA-N 0 0 452.571 4.051 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001316293341 1066055125 /nfs/dbraw/zinc/05/51/25/1066055125.db2.gz SXGLJELJTMPCEV-YYWHXJBOSA-N 0 0 462.038 4.337 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1 ZINC001316293761 1066055454 /nfs/dbraw/zinc/05/54/54/1066055454.db2.gz VIYPAOXYCQQZMW-ZCNNSNEGSA-N 0 0 495.640 4.120 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCSCC(C)C ZINC001316295518 1066056756 /nfs/dbraw/zinc/05/67/56/1066056756.db2.gz YVZNEMSNLCZKNK-UGKGYDQZSA-N 0 0 494.105 4.371 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001316297765 1066058328 /nfs/dbraw/zinc/05/83/28/1066058328.db2.gz NPCHLEMNPQHZPB-RFDPFLLZSA-N 0 0 486.657 4.419 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCCN(C)C(=O)OC(C)(C)C)CC[C@H]12 ZINC001316303839 1066064803 /nfs/dbraw/zinc/06/48/03/1066064803.db2.gz TVRQWCXINFUCKG-YTFSRNRJSA-N 0 0 499.656 4.141 20 0 JIADRN CON(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001316304447 1066065186 /nfs/dbraw/zinc/06/51/86/1066065186.db2.gz ISMSCTYWOPQNEN-CYBMUJFWSA-N 0 0 466.380 4.432 20 0 JIADRN CON(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001316306337 1066066144 /nfs/dbraw/zinc/06/61/44/1066066144.db2.gz IMNXBXCBKDNLBY-ZDUSSCGKSA-N 0 0 486.386 4.347 20 0 JIADRN CON(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001316306478 1066066227 /nfs/dbraw/zinc/06/62/27/1066066227.db2.gz MQRCTQCMYGVWGB-UHFFFAOYSA-N 0 0 457.460 4.407 20 0 JIADRN CON(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001316309054 1066066635 /nfs/dbraw/zinc/06/66/35/1066066635.db2.gz BOINHLJXYUYPOX-SFHVURJKSA-N 0 0 459.591 4.166 20 0 JIADRN CON(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001316309487 1066066725 /nfs/dbraw/zinc/06/67/25/1066066725.db2.gz DYXSXGBEEPRPMP-UHFFFAOYSA-N 0 0 464.492 4.388 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001316311937 1066067935 /nfs/dbraw/zinc/06/79/35/1066067935.db2.gz FDBNABAFYHSKEE-VGOFRKELSA-N 0 0 463.420 4.182 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C)s2)C1 ZINC001316312503 1066068575 /nfs/dbraw/zinc/06/85/75/1066068575.db2.gz OAXYULLGJNMMOF-CQSZACIVSA-N 0 0 451.365 4.490 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(Br)cc2)C1 ZINC001316315357 1066071805 /nfs/dbraw/zinc/07/18/05/1066071805.db2.gz ISTQUMMYQLFCNJ-QGZVFWFLSA-N 0 0 462.779 4.224 20 0 JIADRN CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOc1ccccc1C(C)C ZINC001316316210 1066072529 /nfs/dbraw/zinc/07/25/29/1066072529.db2.gz OMEPCHMPWOQADH-HDICACEKSA-N 0 0 459.591 4.249 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCSC2(C)C)C1 ZINC001316317816 1066073362 /nfs/dbraw/zinc/07/33/62/1066073362.db2.gz AUQHXGRDJWKCDU-KSZLIROESA-N 0 0 465.664 4.107 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Sc2ccccc2)C1 ZINC001316319129 1066074353 /nfs/dbraw/zinc/07/43/53/1066074353.db2.gz QSUXXXIKZVVLFU-YSTOQKLRSA-N 0 0 487.670 4.455 20 0 JIADRN CO[C@@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2ccc(C)nc2)C1 ZINC001316319987 1066075308 /nfs/dbraw/zinc/07/53/08/1066075308.db2.gz IOLAMNDYCRQSEV-OAQYLSRUSA-N 0 0 455.990 4.228 20 0 JIADRN CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001316320850 1066075752 /nfs/dbraw/zinc/07/57/52/1066075752.db2.gz HJLOVUYTJOBBPZ-QFQXNSOFSA-N 0 0 456.631 4.321 20 0 JIADRN CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4cc(C)ccc4C(C)C)n3CCC(=O)NC(C)(C)C)C[C@H]12 ZINC001316321074 1066076285 /nfs/dbraw/zinc/07/62/85/1066076285.db2.gz HAVMMNOREZCBGY-AKIFATBCSA-N 0 0 497.684 4.455 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2nnc(C)s2)C1 ZINC001316321210 1066076708 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CS[C@H]1CCCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC(C)C)C1 ZINC001316425146 1066242022 /nfs/dbraw/zinc/24/20/22/1066242022.db2.gz FNIFWQCQPDIJQF-PMACEKPBSA-N 0 0 497.706 4.124 20 0 JIADRN C[C@]1(c2cccc(CNC(=O)Nc3ccc(OCC4CCCCC4)cc3)c2)NC(=O)NC1=O ZINC001325286336 1066243514 /nfs/dbraw/zinc/24/35/14/1066243514.db2.gz FTKYTRPDOPNSJN-RUZDIDTESA-N 0 0 450.539 4.022 20 0 JIADRN CSc1ccccc1CN(C)c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)C1CCC1 ZINC001316425802 1066244087 /nfs/dbraw/zinc/24/40/87/1066244087.db2.gz UDQIAIFFUJPCFA-FQEVSTJZSA-N 0 0 457.644 4.184 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)COCc2ccccc2)C1 ZINC001316426128 1066245001 /nfs/dbraw/zinc/24/50/01/1066245001.db2.gz GZLHVWPJGSZMBT-CTNGQTDRSA-N 0 0 452.628 4.310 20 0 JIADRN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccccc2)oc1C1CC1 ZINC001325364797 1066245396 /nfs/dbraw/zinc/24/53/96/1066245396.db2.gz FQOASUSEEFHNJF-UHFFFAOYSA-N 0 0 465.575 4.324 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC(=O)N2CCCCC2)n1 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VMOXXWWWAKKWKY-HKUYNNGSSA-N 0 0 484.638 4.062 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2Br)C1 ZINC001316428046 1066253694 /nfs/dbraw/zinc/25/36/94/1066253694.db2.gz WSXMQNUCUACYET-IAGOWNOFSA-N 0 0 451.434 4.315 20 0 JIADRN COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC ZINC001325540153 1066254206 /nfs/dbraw/zinc/25/42/06/1066254206.db2.gz SUPUAYMGPBQKSU-JOCHJYFZSA-N 0 0 473.573 4.253 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001316428078 1066254625 /nfs/dbraw/zinc/25/46/25/1066254625.db2.gz XGAKJMZJAYCGOO-WOJBJXKFSA-N 0 0 477.675 4.071 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(I)cc2)C1 ZINC001316428107 1066254759 /nfs/dbraw/zinc/25/47/59/1066254759.db2.gz XLEXPQSSLWONPF-FUHWJXTLSA-N 0 0 498.434 4.157 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001316428713 1066256619 /nfs/dbraw/zinc/25/66/19/1066256619.db2.gz VNGZQVTYWQTRAQ-QZTJIDSGSA-N 0 0 460.648 4.223 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 ZINC001316428694 1066256647 /nfs/dbraw/zinc/25/66/47/1066256647.db2.gz QTXMCGGCSJMPHQ-HSZRJFAPSA-N 0 0 485.698 4.248 20 0 JIADRN CS[C@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C1 ZINC001316428775 1066257106 /nfs/dbraw/zinc/25/71/06/1066257106.db2.gz AFEIJCQHWFHRME-QFIPXVFZSA-N 0 0 471.671 4.336 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2CCNC(=O)OC(C)(C)C)n1 ZINC001492499562 1066258661 /nfs/dbraw/zinc/25/86/61/1066258661.db2.gz RMWYDRVKSBPXCE-UHFFFAOYSA-N 0 0 458.513 4.088 20 0 JIADRN CCc1ncc(S(=O)(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)s1 ZINC001475216867 1066258755 /nfs/dbraw/zinc/25/87/55/1066258755.db2.gz OZOCCGCSFCHDHM-INIZCTEOSA-N 0 0 452.399 4.125 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CC(C)(C)c2ccccn2)n1 ZINC001492499638 1066259209 /nfs/dbraw/zinc/25/92/09/1066259209.db2.gz UDYNGRJOUZDFRF-UHFFFAOYSA-N 0 0 490.633 4.061 20 0 JIADRN CSCc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 ZINC001316430164 1066263172 /nfs/dbraw/zinc/26/31/72/1066263172.db2.gz JXOODCAHBUHQQO-HXUWFJFHSA-N 0 0 485.057 4.209 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)c2ccccc2)C1 ZINC001316430297 1066264113 /nfs/dbraw/zinc/26/41/13/1066264113.db2.gz MKCSWEDHOLTMRN-HXUWFJFHSA-N 0 0 484.695 4.128 20 0 JIADRN O=C1Nc2ccccc2[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001325704398 1066264635 /nfs/dbraw/zinc/26/46/35/1066264635.db2.gz IUKRMKGSFRZUHG-GOSISDBHSA-N 0 0 458.889 4.495 20 0 JIADRN C[C@]12CC3CC(c4nnc(-c5cccc(S(=O)(=O)N6CCOCC6)c5)o4)(C1)C[C@@](C)(C3)C2 ZINC001325734752 1066265328 /nfs/dbraw/zinc/26/53/28/1066265328.db2.gz ANHOCUZIOWLAEG-MDQWUCQQSA-N 0 0 457.596 4.006 20 0 JIADRN CCc1ccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)o2)cc1 ZINC001325737297 1066265952 /nfs/dbraw/zinc/26/59/52/1066265952.db2.gz MOTCAWPTLAOJMO-GJZGRUSLSA-N 0 0 461.971 4.417 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(C(C)(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001316431404 1066269740 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Cc1nc(Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)sc1C ZINC001492578168 1067205751 /nfs/dbraw/zinc/20/57/51/1067205751.db2.gz ZZTHMZBYNKKHQK-UHFFFAOYSA-N 0 0 456.019 4.322 20 0 JIADRN COc1ccccc1-c1nc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)n[nH]1 ZINC001321764342 1067207581 /nfs/dbraw/zinc/20/75/81/1067207581.db2.gz HIHWTDLCCVOVGO-UHFFFAOYSA-N 0 0 453.506 4.142 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001492549233 1067209039 /nfs/dbraw/zinc/20/90/39/1067209039.db2.gz VALPMIJKYYSVLO-RTBURBONSA-N 0 0 475.659 4.363 20 0 JIADRN Fc1cc(Br)cc(Br)c1NC(=S)N1CC2(C1)CC(F)(F)CO2 ZINC001200802586 1067209572 /nfs/dbraw/zinc/20/95/72/1067209572.db2.gz YBCMXRRENIGYDG-UHFFFAOYSA-N 0 0 460.113 4.158 20 0 JIADRN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(C(=O)NCc4cccc(C)c4)cc3)cn2)n1 ZINC001354859358 1067209740 /nfs/dbraw/zinc/20/97/40/1067209740.db2.gz PYJGMSWDDATTLN-UHFFFAOYSA-N 0 0 453.546 4.053 20 0 JIADRN CSc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 ZINC001354859554 1067209775 /nfs/dbraw/zinc/20/97/75/1067209775.db2.gz QHPDZHPNEPNLAH-UHFFFAOYSA-N 0 0 452.555 4.241 20 0 JIADRN CCn1c2ccccc2c2cc(CN(C)C(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)ccc21 ZINC001321783146 1067210720 /nfs/dbraw/zinc/21/07/20/1067210720.db2.gz JCIAEXQAUFXLTO-UHFFFAOYSA-N 0 0 482.588 4.164 20 0 JIADRN Cc1cccc(NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c1C(=O)NCCc1ccccc1 ZINC001351806473 1067211140 /nfs/dbraw/zinc/21/11/40/1067211140.db2.gz TUWZRCVUNPZHSS-UHFFFAOYSA-N 0 0 457.509 4.248 20 0 JIADRN COc1ccc(C(=O)NCCNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC001321784367 1067211599 /nfs/dbraw/zinc/21/15/99/1067211599.db2.gz WVJPCIIYPAYOAC-UHFFFAOYSA-N 0 0 464.374 4.214 20 0 JIADRN O=C1NCCc2c(NC(=S)Nc3c(F)cc(Br)cc3Br)cccc21 ZINC001200802852 1067211528 /nfs/dbraw/zinc/21/15/28/1067211528.db2.gz SHMRZOAKRDAPMS-UHFFFAOYSA-N 0 0 473.165 4.446 20 0 JIADRN CCOC(=O)c1c(C)csc1NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1 ZINC001351813742 1067212211 /nfs/dbraw/zinc/21/22/11/1067212211.db2.gz AODLAPWUGHFYAW-UHFFFAOYSA-N 0 0 450.582 4.015 20 0 JIADRN O=C(COc1ccc(Cl)cc1Br)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC001321797706 1067212470 /nfs/dbraw/zinc/21/24/70/1067212470.db2.gz LTYYZPMFWCMLMX-UHFFFAOYSA-N 0 0 474.742 4.445 20 0 JIADRN COC(=O)COc1ccc(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c(C)c1 ZINC001321803132 1067213511 /nfs/dbraw/zinc/21/35/11/1067213511.db2.gz IBKYMPSIQNXTHH-UHFFFAOYSA-N 0 0 456.502 4.410 20 0 JIADRN COc1ccc(Br)cc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001321804122 1067213529 /nfs/dbraw/zinc/21/35/29/1067213529.db2.gz PUSGYQABNOWFMS-UHFFFAOYSA-N 0 0 461.356 4.104 20 0 JIADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)cc(C(C)C)nc21 ZINC001321816876 1067214311 /nfs/dbraw/zinc/21/43/11/1067214311.db2.gz ZVCBTEOTTUFMMC-ZDUSSCGKSA-N 0 0 455.584 4.110 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001300739321 1067214601 /nfs/dbraw/zinc/21/46/01/1067214601.db2.gz NPXVIGBBVASBFA-MBOZVWFJSA-N 0 0 459.566 4.003 20 0 JIADRN CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)[C@H]1c1ccnn1C ZINC001351817733 1067214687 /nfs/dbraw/zinc/21/46/87/1067214687.db2.gz QJVILIPJKIWDDD-RPWUZVMVSA-N 0 0 464.591 4.115 20 0 JIADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN(C)C(=O)OCc1ccccc1 ZINC001351817316 1067214982 /nfs/dbraw/zinc/21/49/82/1067214982.db2.gz HGENMWMMQTVSHZ-UHFFFAOYSA-N 0 0 452.338 4.049 20 0 JIADRN C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C(=O)NCC(F)(F)F ZINC001321827345 1067215190 /nfs/dbraw/zinc/21/51/90/1067215190.db2.gz DOTSMXJXPJSKSU-LLVKDONJSA-N 0 0 476.377 4.146 20 0 JIADRN Cc1ccc(-n2ncc(C(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)c2C(F)(F)F)cc1 ZINC001321839958 1067216915 /nfs/dbraw/zinc/21/69/15/1067216915.db2.gz FERJPHWBDQYCRW-UHFFFAOYSA-N 0 0 496.489 4.348 20 0 JIADRN Cc1cc(N2C[C@@H](C(=O)NCc3ccc(C(F)(F)F)cc3)CC2=O)ccc1Br ZINC001351829229 1067217419 /nfs/dbraw/zinc/21/74/19/1067217419.db2.gz PRJWSDVNFBYJND-AWEZNQCLSA-N 0 0 455.274 4.446 20 0 JIADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC001351829680 1067217440 /nfs/dbraw/zinc/21/74/40/1067217440.db2.gz SZDIYBFJBYMPPP-LLVKDONJSA-N 0 0 458.458 4.018 20 0 JIADRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)NCCOc2ccc3c(c2)CCC3)cc1 ZINC001321840786 1067217415 /nfs/dbraw/zinc/21/74/15/1067217415.db2.gz LELBRQYPBJMTOZ-UHFFFAOYSA-N 0 0 473.573 4.451 20 0 JIADRN Cc1cc(I)cc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC001354864744 1067218034 /nfs/dbraw/zinc/21/80/34/1067218034.db2.gz GFRULUUDLKEKQU-UHFFFAOYSA-N 0 0 451.304 4.485 20 0 JIADRN CSCC[C@H](NC(=O)CSc1ccc(Br)cc1)c1nnc2ccccn21 ZINC001321857999 1067219352 /nfs/dbraw/zinc/21/93/52/1067219352.db2.gz OAULTWXTKHACJI-HNNXBMFYSA-N 0 0 451.415 4.195 20 0 JIADRN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)cs1 ZINC001321857867 1067219406 /nfs/dbraw/zinc/21/94/06/1067219406.db2.gz JYENGVRPRPNVQP-UHFFFAOYSA-N 0 0 469.632 4.383 20 0 JIADRN CC(C)(C)OC(=O)N1CC(NC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200804633 1067220005 /nfs/dbraw/zinc/22/00/05/1067220005.db2.gz WFQXKCUPJWPTDC-UHFFFAOYSA-N 0 0 483.201 4.256 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)n1 ZINC001321874697 1067220229 /nfs/dbraw/zinc/22/02/29/1067220229.db2.gz FTYCTICQEIXPIY-QGZVFWFLSA-N 0 0 479.512 4.071 20 0 JIADRN CCc1ccc(-c2nc(C(=O)Nc3ccc(OC)c(OCC(=O)NC4CC4)c3)cs2)cc1 ZINC001321874721 1067221074 /nfs/dbraw/zinc/22/10/74/1067221074.db2.gz GOAVPKLXAJXOMI-UHFFFAOYSA-N 0 0 451.548 4.291 20 0 JIADRN O=C(CNC(=S)Nc1c(F)cc(Br)cc1Br)c1ccc(O)cc1 ZINC001200804893 1067221821 /nfs/dbraw/zinc/22/18/21/1067221821.db2.gz KGWLNPKTRHMGAG-UHFFFAOYSA-N 0 0 462.138 4.226 20 0 JIADRN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCc4cc(-c5csc(C)n5)ccc43)ccc21 ZINC001321876416 1067221728 /nfs/dbraw/zinc/22/17/28/1067221728.db2.gz YIFJDSIJWSVKCJ-UHFFFAOYSA-N 0 0 453.589 4.169 20 0 JIADRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cnn(C)c1Br ZINC001351853430 1067222570 /nfs/dbraw/zinc/22/25/70/1067222570.db2.gz FMBWLEKRQROUOD-VXGBXAGGSA-N 0 0 453.768 4.491 20 0 JIADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cnc4cnccc4c3)cc2)c1C(F)(F)F ZINC001351853762 1067223577 /nfs/dbraw/zinc/22/35/77/1067223577.db2.gz JSCVQWQWRDVRPH-UHFFFAOYSA-N 0 0 455.396 4.263 20 0 JIADRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001351853969 1067223609 /nfs/dbraw/zinc/22/36/09/1067223609.db2.gz LGOFNFKIFWBQMW-UHFFFAOYSA-N 0 0 453.340 4.432 20 0 JIADRN Cc1cc(N2CC[C@@H](NC(=S)Nc3c(F)cc(Br)cc3Br)C2)ncn1 ZINC001200805176 1067224405 /nfs/dbraw/zinc/22/44/05/1067224405.db2.gz PHCZXFWIGLCWHZ-LLVKDONJSA-N 0 0 489.212 4.014 20 0 JIADRN COc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 ZINC001321904215 1067224851 /nfs/dbraw/zinc/22/48/51/1067224851.db2.gz HMKLVJKZUQUFAZ-HNNXBMFYSA-N 0 0 459.926 4.024 20 0 JIADRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)oc2c1c(C)ccc2C ZINC001351862157 1067227454 /nfs/dbraw/zinc/22/74/54/1067227454.db2.gz ZQZAAGVPGWYVFG-CALCHBBNSA-N 0 0 456.564 4.408 20 0 JIADRN Cc1cc(CC(C)(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1Br ZINC001354871703 1067227836 /nfs/dbraw/zinc/22/78/36/1067227836.db2.gz VCACLIXORFFQOT-UHFFFAOYSA-N 0 0 457.290 4.498 20 0 JIADRN Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CCCC2(C1)OCCO2 ZINC001200805581 1067228028 /nfs/dbraw/zinc/22/80/28/1067228028.db2.gz UXQKRHGBCKUGRN-JTQLQIEISA-N 0 0 468.186 4.323 20 0 JIADRN COc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001321917962 1067228397 /nfs/dbraw/zinc/22/83/97/1067228397.db2.gz VJZDRKJVEXFJLG-SFHVURJKSA-N 0 0 468.779 4.306 20 0 JIADRN Cc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C)cc1Br ZINC001351864985 1067228433 /nfs/dbraw/zinc/22/84/33/1067228433.db2.gz BRZNTPPJZCEVMO-UHFFFAOYSA-N 0 0 453.739 4.457 20 0 JIADRN COc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c(OC2CCCC2)c1 ZINC001354872119 1067228588 /nfs/dbraw/zinc/22/85/88/1067228588.db2.gz IGFSNRSAXACQQA-UHFFFAOYSA-N 0 0 458.580 4.444 20 0 JIADRN C[C@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1)c1cccc(OCc2ccccn2)c1 ZINC001354873817 1067229369 /nfs/dbraw/zinc/22/93/69/1067229369.db2.gz QXZKEJWHTXTDGM-IBGZPJMESA-N 0 0 454.567 4.366 20 0 JIADRN COc1cnccc1CCNC(=S)Nc1c(F)cc(Br)cc1Br ZINC001200805859 1067229791 /nfs/dbraw/zinc/22/97/91/1067229791.db2.gz XBCQYCVNXBKBCL-UHFFFAOYSA-N 0 0 463.170 4.283 20 0 JIADRN CCOC(=O)[C@@H]1CC[C@H](NC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200806254 1067230513 /nfs/dbraw/zinc/23/05/13/1067230513.db2.gz LJQWOMCAJSFLNL-SCZZXKLOSA-N 0 0 468.186 4.369 20 0 JIADRN O=C(Cn1ncc2ccccc2c1=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001354875377 1067231099 /nfs/dbraw/zinc/23/10/99/1067231099.db2.gz GADRDZLGQLXUAX-UHFFFAOYSA-N 0 0 454.368 4.177 20 0 JIADRN C[C@@H](COc1ccccc1F)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001321948572 1067231384 /nfs/dbraw/zinc/23/13/84/1067231384.db2.gz QQDCRGNHUPIFCL-HNNXBMFYSA-N 0 0 484.387 4.258 20 0 JIADRN COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(N4CCOC4=O)ccc3F)CC2)c2ccccc12 ZINC001321947724 1067231697 /nfs/dbraw/zinc/23/16/97/1067231697.db2.gz ZDPXNPSRGIFTLX-UHFFFAOYSA-N 0 0 491.519 4.435 20 0 JIADRN Cc1cccc(CS(=O)(=O)CCC(=O)N(Cc2cccc(Br)c2)C2CC2)c1 ZINC001351886291 1067231876 /nfs/dbraw/zinc/23/18/76/1067231876.db2.gz DEHKCHRFFIQARU-UHFFFAOYSA-N 0 0 450.398 4.254 20 0 JIADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1OC ZINC001321959987 1067232849 /nfs/dbraw/zinc/23/28/49/1067232849.db2.gz DQDIVEQMOCRNKJ-UHFFFAOYSA-N 0 0 473.529 4.235 20 0 JIADRN O=C(Nc1ccc2c(c1)C(=O)NC2)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001351892313 1067233695 /nfs/dbraw/zinc/23/36/95/1067233695.db2.gz CKZBRMOERBANSM-UHFFFAOYSA-N 0 0 454.330 4.406 20 0 JIADRN O=C(Nc1ccccc1NC(=O)[C@H]1CCSC1)c1ccccc1I ZINC001351893506 1067234073 /nfs/dbraw/zinc/23/40/73/1067234073.db2.gz VMWNMGPSUQAFKF-LBPRGKRZSA-N 0 0 452.317 4.235 20 0 JIADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1C(C)C ZINC001354877477 1067234657 /nfs/dbraw/zinc/23/46/57/1067234657.db2.gz OAEBITSVAUYJQT-UHFFFAOYSA-N 0 0 451.958 4.146 20 0 JIADRN CCCn1c(COc2ccc(C)c3c2C(=O)C[C@@H]3C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001321971819 1067234746 /nfs/dbraw/zinc/23/47/46/1067234746.db2.gz GIMFRPNUEXMZSJ-INIZCTEOSA-N 0 0 455.580 4.274 20 0 JIADRN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001351893690 1067235364 /nfs/dbraw/zinc/23/53/64/1067235364.db2.gz ANXFSDFXMGGOQU-OWCLPIDISA-N 0 0 454.470 4.150 20 0 JIADRN C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc(-c2cccc(F)c2)no1 ZINC001354878585 1067236543 /nfs/dbraw/zinc/23/65/43/1067236543.db2.gz OYSVKXXZQZEWIF-ZDUSSCGKSA-N 0 0 451.483 4.004 20 0 JIADRN CC(C)COc1ccc(C2(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CCC2)cc1 ZINC001354879099 1067236975 /nfs/dbraw/zinc/23/69/75/1067236975.db2.gz ZOYGPRYSGYYMSL-UHFFFAOYSA-N 0 0 455.986 4.371 20 0 JIADRN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1c(F)ccc(SCC2CC2)c1F ZINC001354878770 1067237038 /nfs/dbraw/zinc/23/70/38/1067237038.db2.gz WYBQIURKKMVHKP-UHFFFAOYSA-N 0 0 451.926 4.309 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492492401 1067237422 /nfs/dbraw/zinc/23/74/22/1067237422.db2.gz MGMKGUIXUCVPIR-SFHVURJKSA-N 0 0 453.612 4.190 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccncc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492492392 1067237902 /nfs/dbraw/zinc/23/79/02/1067237902.db2.gz LZLXIZOQLWUYEW-UHFFFAOYSA-N 0 0 470.499 4.218 20 0 JIADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)ccc1Br ZINC001321995046 1067238323 /nfs/dbraw/zinc/23/83/23/1067238323.db2.gz XPXFGTHZPJMXOD-GDBMZVCRSA-N 0 0 457.434 4.178 20 0 JIADRN O=C1CCC2(CCC(NC(=S)Nc3c(F)cc(Br)cc3Br)CC2)N1 ZINC001200807870 1067239695 /nfs/dbraw/zinc/23/96/95/1067239695.db2.gz BDZCDQWSUXDNLV-UHFFFAOYSA-N 0 0 479.213 4.229 20 0 JIADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccccc3N3CCCC3=O)cc2)c1C(F)(F)F ZINC001322008994 1067240406 /nfs/dbraw/zinc/24/04/06/1067240406.db2.gz SEDFDVWSXJJMHR-UHFFFAOYSA-N 0 0 486.450 4.447 20 0 JIADRN COc1ccc2c(c1)c(C(=O)NCc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)c(C)n2C1CC1 ZINC001322021418 1067241114 /nfs/dbraw/zinc/24/11/14/1067241114.db2.gz MKBQFKRCMSWMTM-HDICACEKSA-N 0 0 475.589 4.473 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)C1 ZINC001300743853 1067241581 /nfs/dbraw/zinc/24/15/81/1067241581.db2.gz AWLDYADKZAOWRA-GPMSIDNRSA-N 0 0 481.460 4.376 20 0 JIADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001351914569 1067241470 /nfs/dbraw/zinc/24/14/70/1067241470.db2.gz OUZBNYBDFCOHTN-RCDICMHDSA-N 0 0 465.522 4.300 20 0 JIADRN CS(=O)(=O)C1CCC(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CC1 ZINC001351916289 1067241902 /nfs/dbraw/zinc/24/19/02/1067241902.db2.gz BKHZCXFICCCIEE-UHFFFAOYSA-N 0 0 458.458 4.093 20 0 JIADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)cc1 ZINC001351914732 1067242178 /nfs/dbraw/zinc/24/21/78/1067242178.db2.gz ACTJUFWYBJAEGY-UHFFFAOYSA-N 0 0 457.328 4.394 20 0 JIADRN O=C(Nc1ccccc1CN1CCCC1=O)c1cc(Cl)ccc1I ZINC001322038247 1067242001 /nfs/dbraw/zinc/24/20/01/1067242001.db2.gz UEEGMXCXOHRHKT-UHFFFAOYSA-N 0 0 454.695 4.319 20 0 JIADRN Cc1ccc(Br)c(S(=O)(=O)Oc2cccc(I)c2)c1 ZINC001474764429 1067242052 /nfs/dbraw/zinc/24/20/52/1067242052.db2.gz GFCQZNOTSQCGLB-UHFFFAOYSA-N 0 0 453.095 4.130 20 0 JIADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCc3cc(C(C)(C)C)ccc3C2)c(OC)c1 ZINC001322051351 1067243892 /nfs/dbraw/zinc/24/38/92/1067243892.db2.gz BFGKJKCCJJENLR-HSZRJFAPSA-N 0 0 450.579 4.191 20 0 JIADRN C[C@@H]1CCCN(C(=O)CCNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC001351924746 1067245199 /nfs/dbraw/zinc/24/51/99/1067245199.db2.gz RCMWXYCNMVFQIX-LJQANCHMSA-N 0 0 463.557 4.126 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001351925859 1067245450 /nfs/dbraw/zinc/24/54/50/1067245450.db2.gz NPIKSEYTRKTYNH-UHFFFAOYSA-N 0 0 458.580 4.377 20 0 JIADRN COC(=O)C[C@H](NC(=S)Nc1c(F)cc(Br)cc1Br)c1cccnc1 ZINC001200808686 1067245813 /nfs/dbraw/zinc/24/58/13/1067245813.db2.gz NBJWGMDMBCQQBU-ZDUSSCGKSA-N 0 0 491.180 4.337 20 0 JIADRN CN(C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2Br)C1)C(=O)OC(C)(C)C ZINC001322079226 1067247000 /nfs/dbraw/zinc/24/70/00/1067247000.db2.gz DAMLUOPDTBJDIC-HNNXBMFYSA-N 0 0 495.393 4.493 20 0 JIADRN O=C(COc1ccc(Cl)cc1Br)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001322077161 1067247032 /nfs/dbraw/zinc/24/70/32/1067247032.db2.gz JMNPBMZUCNRQBB-UHFFFAOYSA-N 0 0 457.796 4.169 20 0 JIADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H]3CC(=O)N(C)c4ccccc43)cc2Cl)n1 ZINC001322077708 1067247490 /nfs/dbraw/zinc/24/74/90/1067247490.db2.gz QNRLXBFCBQULLU-VQIMIIECSA-N 0 0 479.968 4.442 20 0 JIADRN Cc1cccc(OCc2nnc(Nc3cnn(CC4CCC4)c3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001492549726 1067248176 /nfs/dbraw/zinc/24/81/76/1067248176.db2.gz LEFYCXSJSXGJQQ-MGBGTMOVSA-N 0 0 470.643 4.453 20 0 JIADRN CO[C@@H]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001300744909 1067248037 /nfs/dbraw/zinc/24/80/37/1067248037.db2.gz CVBXBANWTCUKLF-AJSBUHFISA-N 0 0 453.631 4.407 20 0 JIADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(=O)NC2CCCCC2)c1 ZINC001492549709 1067248416 /nfs/dbraw/zinc/24/84/16/1067248416.db2.gz KOEXMSNJTCCGFQ-YLJYHZDGSA-N 0 0 479.547 4.249 20 0 JIADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001492549778 1067249020 /nfs/dbraw/zinc/24/90/20/1067249020.db2.gz MQEYUZWBVIALPI-SLFFLAALSA-N 0 0 473.618 4.035 20 0 JIADRN O=C(Cc1coc2c1ccc(F)c2F)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001351945741 1067251563 /nfs/dbraw/zinc/25/15/63/1067251563.db2.gz MEDKHQHVVNYSQO-UHFFFAOYSA-N 0 0 454.882 4.330 20 0 JIADRN COc1cccc(OC)c1OC1CCN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)CC1 ZINC001351952724 1067253962 /nfs/dbraw/zinc/25/39/62/1067253962.db2.gz WPSZWNCOJYENSM-UHFFFAOYSA-N 0 0 452.473 4.472 20 0 JIADRN O=C(COC(=O)CSc1ccc2c3c(cccc31)CC2)NCCc1cccc2cccnc21 ZINC000847117759 1067254087 /nfs/dbraw/zinc/25/40/87/1067254087.db2.gz SQAKRWYPFADMFY-UHFFFAOYSA-N 0 0 456.567 4.481 20 0 JIADRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2Cc3ccc(C)cc3S2)c(C(F)(F)F)c1 ZINC001322132258 1067255270 /nfs/dbraw/zinc/25/52/70/1067255270.db2.gz UJAJSYKXAFBQJG-GOSISDBHSA-N 0 0 452.454 4.171 20 0 JIADRN C[C@H](C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F)n1ccnc1 ZINC001322132736 1067255685 /nfs/dbraw/zinc/25/56/85/1067255685.db2.gz HBPMYZHPPYHWLX-GFCCVEGCSA-N 0 0 478.265 4.079 20 0 JIADRN COc1cc(C(=O)N2CCN(C(=O)C/C=C\c3ccc(Br)cc3)CC2)ccc1C ZINC001354892459 1067256266 /nfs/dbraw/zinc/25/62/66/1067256266.db2.gz HHGORNCLEWUUEJ-ARJAWSKDSA-N 0 0 457.368 4.154 20 0 JIADRN COc1cc(C(=O)N2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)ccc1C ZINC001354892760 1067256479 /nfs/dbraw/zinc/25/64/79/1067256479.db2.gz IVBYAAMRSKVHSY-UHFFFAOYSA-N 0 0 452.595 4.445 20 0 JIADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001351959673 1067257224 /nfs/dbraw/zinc/25/72/24/1067257224.db2.gz DKEBKOSNUBTLGD-HXUWFJFHSA-N 0 0 453.963 4.241 20 0 JIADRN COc1cc(C(=O)N2CCN(C(=O)C(C)(C)c3ccc(OCC(C)C)cc3)CC2)ccc1C ZINC001354893863 1067258518 /nfs/dbraw/zinc/25/85/18/1067258518.db2.gz UCCGKBSHEYFDJN-UHFFFAOYSA-N 0 0 452.595 4.301 20 0 JIADRN Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1 ZINC001200810259 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GPRLCNFDRJXNKQ-QFIPXVFZSA-N 0 0 487.361 4.436 20 0 JIADRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001351979771 1067261659 /nfs/dbraw/zinc/26/16/59/1067261659.db2.gz XALMHMNEEIJOSB-UKRRQHHQSA-N 0 0 451.283 4.045 20 0 JIADRN O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001322201369 1067262307 /nfs/dbraw/zinc/26/23/07/1067262307.db2.gz WLXXLXLUKGFVCK-UHFFFAOYSA-N 0 0 481.413 4.089 20 0 JIADRN Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cc(Br)cn4)nn3)n2)cc1C ZINC001351991180 1067263941 /nfs/dbraw/zinc/26/39/41/1067263941.db2.gz XCXNWMUJYODUAU-UHFFFAOYSA-N 0 0 455.341 4.417 20 0 JIADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)ccc1C ZINC001351989930 1067264017 /nfs/dbraw/zinc/26/40/17/1067264017.db2.gz HNXSGKKQABELKL-HNNXBMFYSA-N 0 0 458.502 4.450 20 0 JIADRN CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1 ZINC001351997400 1067265486 /nfs/dbraw/zinc/26/54/86/1067265486.db2.gz KUFLYDVQKNAJQL-UHFFFAOYSA-N 0 0 454.479 4.310 20 0 JIADRN Cc1ccc2nc(-c3ccco3)cc(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)c2c1 ZINC001351998554 1067265702 /nfs/dbraw/zinc/26/57/02/1067265702.db2.gz VKHNAJYTHROGDB-UHFFFAOYSA-N 0 0 450.516 4.479 20 0 JIADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001322240176 1067265693 /nfs/dbraw/zinc/26/56/93/1067265693.db2.gz AOEXXIXLPZPASC-UHFFFAOYSA-N 0 0 450.505 4.310 20 0 JIADRN CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001322237108 1067265713 /nfs/dbraw/zinc/26/57/13/1067265713.db2.gz SLHUPYADKAGXIT-UHFFFAOYSA-N 0 0 465.015 4.396 20 0 JIADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(COCCOc3ccccc3)c2)c1 ZINC001354900288 1067266778 /nfs/dbraw/zinc/26/67/78/1067266778.db2.gz FLUMFNSUJGUNTI-UHFFFAOYSA-N 0 0 457.523 4.467 20 0 JIADRN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)c1C ZINC001352003565 1067266866 /nfs/dbraw/zinc/26/68/66/1067266866.db2.gz JCWPXNSGXVZYOP-NRFANRHFSA-N 0 0 451.611 4.151 20 0 JIADRN COC(=O)N1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CC1 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Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001352631243 1067592255 /nfs/dbraw/zinc/59/22/55/1067592255.db2.gz OOZCVXQKLLWNDA-MZKRTTBSSA-N 0 0 457.615 4.482 20 0 JIADRN C[C@@H](S[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001472983323 1067592640 /nfs/dbraw/zinc/59/26/40/1067592640.db2.gz VGCDHMFKBDNOTA-CABCVRRESA-N 0 0 456.486 4.346 20 0 JIADRN CCOC(=O)N1[C@@H](C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC[C@H]1c1ccc(C)o1 ZINC001352632378 1067593225 /nfs/dbraw/zinc/59/32/25/1067593225.db2.gz YHBSPSVPOOTHBS-LEWJYISDSA-N 0 0 453.539 4.305 20 0 JIADRN CC(C)c1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C(C)C)cc1 ZINC001355860717 1067593545 /nfs/dbraw/zinc/59/35/45/1067593545.db2.gz ODKDAMMKYULMCA-OAQYLSRUSA-N 0 0 450.626 4.353 20 0 JIADRN CN1C(=O)CC[C@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001355864024 1067594305 /nfs/dbraw/zinc/59/43/05/1067594305.db2.gz XJOGKDMXYORMDY-YJBOKZPZSA-N 0 0 453.848 4.006 20 0 JIADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC(=O)CC34CCC4)ccc2C)c(C)c1 ZINC001300072377 1067595150 /nfs/dbraw/zinc/59/51/50/1067595150.db2.gz PMPWUARIMDJNIN-UHFFFAOYSA-N 0 0 454.592 4.449 20 0 JIADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCCSCc2ccccc2F)(C(F)(F)F)C1 ZINC001355870424 1067595311 /nfs/dbraw/zinc/59/53/11/1067595311.db2.gz BEYAGZXZKQFZKU-LJQANCHMSA-N 0 0 450.498 4.365 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3OC)CCCCC2)cc1 ZINC001355871916 1067595574 /nfs/dbraw/zinc/59/55/74/1067595574.db2.gz XXEDXSNBHFWXPV-UHFFFAOYSA-N 0 0 458.624 4.244 20 0 JIADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)c2ccc(OC)c(F)c2)c1 ZINC001355872964 1067596020 /nfs/dbraw/zinc/59/60/20/1067596020.db2.gz WZVNFHIGQMTTLE-UHFFFAOYSA-N 0 0 459.495 4.277 20 0 JIADRN Cc1ccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c(OCC(=O)N(C)C)c1 ZINC001355874824 1067596381 /nfs/dbraw/zinc/59/63/81/1067596381.db2.gz UXIQNINVKAEFOJ-UHFFFAOYSA-N 0 0 450.457 4.322 20 0 JIADRN CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001355874395 1067596389 /nfs/dbraw/zinc/59/63/89/1067596389.db2.gz QZMUQBVHSGJSGZ-GJZGRUSLSA-N 0 0 459.930 4.410 20 0 JIADRN O=C(Nc1nccs1)c1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1 ZINC001352639850 1067596479 /nfs/dbraw/zinc/59/64/79/1067596479.db2.gz NMWDIPHMXFJIRC-UHFFFAOYSA-N 0 0 458.927 4.254 20 0 JIADRN CCN1C(=O)C[C@H](C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@H]1c1cccnc1 ZINC001355875512 1067596927 /nfs/dbraw/zinc/59/69/27/1067596927.db2.gz SPAMIROAVPSELR-SOXILONMSA-N 0 0 451.411 4.017 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2CC[C@@H](C)C2)c(OC)c1 ZINC001300074367 1067597770 /nfs/dbraw/zinc/59/77/70/1067597770.db2.gz FFBMEQZQRIJROB-IAGOWNOFSA-N 0 0 499.553 4.421 20 0 JIADRN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)CCCc2cccc(C(F)(F)F)c2)cc1 ZINC001355883233 1067598024 /nfs/dbraw/zinc/59/80/24/1067598024.db2.gz OKXHLDFUFFIKEM-UHFFFAOYSA-N 0 0 456.530 4.373 20 0 JIADRN CCc1sc(=O)n(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1-c1ccccc1 ZINC001472989656 1067598398 /nfs/dbraw/zinc/59/83/98/1067598398.db2.gz DZAVVVVOOKVILF-QZTJIDSGSA-N 0 0 451.592 4.392 20 0 JIADRN CCC[C@H](CNC(=O)CSc1nnnn1C1CCOCC1)c1ccc(Cl)cc1Cl ZINC001472989761 1067598661 /nfs/dbraw/zinc/59/86/61/1067598661.db2.gz YAIXRZGTLKNUTJ-CYBMUJFWSA-N 0 0 458.415 4.124 20 0 JIADRN O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1c(F)cccc1I ZINC001355887548 1067598723 /nfs/dbraw/zinc/59/87/23/1067598723.db2.gz UBIZVEKRTNNINU-UHFFFAOYSA-N 0 0 458.614 4.491 20 0 JIADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)c2)no1 ZINC001352646314 1067598785 /nfs/dbraw/zinc/59/87/85/1067598785.db2.gz GLEHICZPYHVWHD-UHFFFAOYSA-N 0 0 458.444 4.317 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(Cc4ccsc4)CC3)n2CCCOC(C)C)cc1 ZINC001300074890 1067598841 /nfs/dbraw/zinc/59/88/41/1067598841.db2.gz ICTLTLSAZYBCLQ-UHFFFAOYSA-N 0 0 455.628 4.153 20 0 JIADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](C)c3ccc(OCC4CC4)c(F)c3)C2=O)c1 ZINC001355888262 1067599072 /nfs/dbraw/zinc/59/90/72/1067599072.db2.gz WXJAUSUBBCBXEB-KKSFZXQISA-N 0 0 453.514 4.005 20 0 JIADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1noc(-c2ccc(Cl)cc2)n1 ZINC001355887742 1067599123 /nfs/dbraw/zinc/59/91/23/1067599123.db2.gz UZSALGRFMKNQBP-QRWLVFNGSA-N 0 0 453.926 4.433 20 0 JIADRN COc1ccc(-c2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CCC(C)(F)F)c(OC)c1 ZINC001300075076 1067599502 /nfs/dbraw/zinc/59/95/02/1067599502.db2.gz BEZGRGPFQCCXKG-UHFFFAOYSA-N 0 0 486.445 4.243 20 0 JIADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC001355892720 1067600350 /nfs/dbraw/zinc/60/03/50/1067600350.db2.gz WWTLURSBQCDRTL-LQWHRVPQSA-N 0 0 452.542 4.050 20 0 JIADRN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1NS(C)(=O)=O ZINC001200096933 1067603499 /nfs/dbraw/zinc/60/34/99/1067603499.db2.gz AQFPMHXRMYUAIJ-GOSISDBHSA-N 0 0 452.374 4.498 20 0 JIADRN Cc1ccc(CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c(OCCCC(C)C)c1 ZINC001355904474 1067604996 /nfs/dbraw/zinc/60/49/96/1067604996.db2.gz COQUDMKZSNSVMD-UHFFFAOYSA-N 0 0 456.583 4.243 20 0 JIADRN Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(OCCCC(C)C)c1 ZINC001355908108 1067606398 /nfs/dbraw/zinc/60/63/98/1067606398.db2.gz ZWUJRQNPZRVIRA-UHFFFAOYSA-N 0 0 450.601 4.410 20 0 JIADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCc2ccc(OC(C)(C)C)cc2)C1 ZINC001355922382 1067609630 /nfs/dbraw/zinc/60/96/30/1067609630.db2.gz SXTFLWUTZXPQKQ-ATIYNZHBSA-N 0 0 454.567 4.296 20 0 JIADRN COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@](C)(O)C2CCCCC2)cc1 ZINC001300077926 1067609517 /nfs/dbraw/zinc/60/95/17/1067609517.db2.gz CWZSTTNSQVULGQ-KNQAVFIVSA-N 0 0 468.520 4.053 20 0 JIADRN C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1cccc(N2CCCC2=O)c1 ZINC001355923475 1067610256 /nfs/dbraw/zinc/61/02/56/1067610256.db2.gz AMUKKTPARSTVFT-JPYJTQIMSA-N 0 0 451.567 4.332 20 0 JIADRN CN(C)c1ccc(-c2cncc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)c2)cc1 ZINC001352662133 1067611010 /nfs/dbraw/zinc/61/10/10/1067611010.db2.gz ULSXMMVLZXFVME-UHFFFAOYSA-N 0 0 451.530 4.392 20 0 JIADRN Cc1ccc(NC(=O)NC(C)(C)Cc2cccc(Br)c2)cc1NS(C)(=O)=O ZINC001200098761 1067612500 /nfs/dbraw/zinc/61/25/00/1067612500.db2.gz LCICDTIRYPHVCH-UHFFFAOYSA-N 0 0 454.390 4.272 20 0 JIADRN COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H]2OCCC2(C)C)cc1OC ZINC001300078671 1067612837 /nfs/dbraw/zinc/61/28/37/1067612837.db2.gz KCMLIKHXINYRJF-LVXARBLLSA-N 0 0 472.630 4.419 20 0 JIADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)CC2 ZINC001355937203 1067612963 /nfs/dbraw/zinc/61/29/63/1067612963.db2.gz KLWPPFAJXOFZMR-UHFFFAOYSA-N 0 0 458.530 4.077 20 0 JIADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(C)ccc1I ZINC001355938237 1067613518 /nfs/dbraw/zinc/61/35/18/1067613518.db2.gz PIYYCKGYIJYVLM-GOSISDBHSA-N 0 0 451.304 4.366 20 0 JIADRN COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2CCC=CO2)cc1Br ZINC001300078776 1067613540 /nfs/dbraw/zinc/61/35/40/1067613540.db2.gz LQAZSIMSTPSWRZ-WBVHZDCISA-N 0 0 477.403 4.413 20 0 JIADRN COc1ccccc1-c1cccc(NC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC001200099550 1067614552 /nfs/dbraw/zinc/61/45/52/1067614552.db2.gz QMCFJDSJCVLQKC-UHFFFAOYSA-N 0 0 453.564 4.371 20 0 JIADRN COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCOC(C)C)cc1Br ZINC001300079295 1067614948 /nfs/dbraw/zinc/61/49/48/1067614948.db2.gz OWVQJTSPAYLUJD-OAHLLOKOSA-N 0 0 467.408 4.145 20 0 JIADRN COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCC2CCOCC2)c(OC)c1 ZINC001300079276 1067614963 /nfs/dbraw/zinc/61/49/63/1067614963.db2.gz OOFLAEWHACDJRG-SANMLTNESA-N 0 0 472.630 4.420 20 0 JIADRN COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1OC ZINC001300080232 1067615999 /nfs/dbraw/zinc/61/59/99/1067615999.db2.gz TUPOXCDKTWUMEC-DZTNWFRXSA-N 0 0 472.630 4.155 20 0 JIADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3ccnn3Cc3ccc(Br)cc3)C2)c1 ZINC001355956641 1067617706 /nfs/dbraw/zinc/61/77/06/1067617706.db2.gz XCUFDQIGELCCLL-HXUWFJFHSA-N 0 0 453.340 4.442 20 0 JIADRN O=C1c2ccc(F)cc2C(=O)N1CCCOc1c(Br)cccc1Br ZINC001472997097 1067617764 /nfs/dbraw/zinc/61/77/64/1067617764.db2.gz IGBUYGJVHZIGBQ-UHFFFAOYSA-N 0 0 457.093 4.416 20 0 JIADRN O=C(Cc1ccc(Br)s1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001352670319 1067618412 /nfs/dbraw/zinc/61/84/12/1067618412.db2.gz UXULGDSXQQMXBA-UHFFFAOYSA-N 0 0 457.415 4.257 20 0 JIADRN CCc1nc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nn1-c1ccccc1F ZINC001355958901 1067618384 /nfs/dbraw/zinc/61/83/84/1067618384.db2.gz LANDKSDQGGTTRA-UHFFFAOYSA-N 0 0 458.419 4.103 20 0 JIADRN COC(=O)[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)c2ccccc2O1 ZINC001352671843 1067619209 /nfs/dbraw/zinc/61/92/09/1067619209.db2.gz QDKVZZQVVXKJJV-QGZVFWFLSA-N 0 0 459.321 4.153 20 0 JIADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC001352672857 1067619773 /nfs/dbraw/zinc/61/97/73/1067619773.db2.gz MMVHAHXSSDRHMU-GFCCVEGCSA-N 0 0 454.420 4.350 20 0 JIADRN Cc1c[nH]c(-c2ccc(NC(=O)[C@H]3CCC(=O)N3Cc3ccc(Br)cc3)cc2)n1 ZINC001300082022 1067620030 /nfs/dbraw/zinc/62/00/30/1067620030.db2.gz GKQTYAUJCSWISO-LJQANCHMSA-N 0 0 453.340 4.277 20 0 JIADRN 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MNQKJNJJISTVNH-OAHLLOKOSA-N 0 0 452.498 4.179 20 0 JIADRN COc1ccccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCNC(=O)c1cccs1 ZINC001300484923 1068842692 /nfs/dbraw/zinc/84/26/92/1068842692.db2.gz WUVDIZVKWOHWQQ-UHFFFAOYSA-N 0 0 477.512 4.144 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCOC[C@H]1CCOC1 ZINC001492568344 1068844152 /nfs/dbraw/zinc/84/41/52/1068844152.db2.gz NJUHOEYSFMXAGZ-FCHUYYIVSA-N 0 0 499.656 4.142 20 0 JIADRN COc1cc(NC(=S)N2CCc3onc(COc4ccccn4)c3C2)c(OC)cc1Cl ZINC001200535083 1068845791 /nfs/dbraw/zinc/84/57/91/1068845791.db2.gz GSTMKTMEHGRLJP-UHFFFAOYSA-N 0 0 460.943 4.074 20 0 JIADRN COc1cc(NC(=S)N2CCc3onc(COc4cccnc4)c3C2)c(OC)cc1Cl ZINC001200535109 1068845809 /nfs/dbraw/zinc/84/58/09/1068845809.db2.gz HNHTUMXIXMWPOF-UHFFFAOYSA-N 0 0 460.943 4.074 20 0 JIADRN Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC001354030329 1068845888 /nfs/dbraw/zinc/84/58/88/1068845888.db2.gz YIKPJKMQGOWNNR-UHFFFAOYSA-N 0 0 453.424 4.306 20 0 JIADRN COc1cc(NC(=S)N2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c(OC)cc1Cl ZINC001200535276 1068846310 /nfs/dbraw/zinc/84/63/10/1068846310.db2.gz NRJKBZBDXOQABW-INIZCTEOSA-N 0 0 459.999 4.192 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001300486529 1068847809 /nfs/dbraw/zinc/84/78/09/1068847809.db2.gz ZOPAWCDYFFKPOJ-MHZLTWQESA-N 0 0 499.656 4.198 20 0 JIADRN COc1cc(NC(=S)N2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c(OC)cc1Cl ZINC001200535593 1068847842 /nfs/dbraw/zinc/84/78/42/1068847842.db2.gz MMLQRWFQBODOAZ-KBXCAEBGSA-N 0 0 463.962 4.040 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001300486528 1068847877 /nfs/dbraw/zinc/84/78/77/1068847877.db2.gz ZOPAWCDYFFKPOJ-HHHXNRCGSA-N 0 0 499.656 4.198 20 0 JIADRN CCOC[C@@H]1CN(C(=S)Nc2cc(OC)c(Cl)cc2OC)Cc2c1cnn2CC1CC1 ZINC001200535666 1068848234 /nfs/dbraw/zinc/84/82/34/1068848234.db2.gz RZTNDJDWEGZVAP-HNNXBMFYSA-N 0 0 465.019 4.296 20 0 JIADRN COc1cc(NC(=S)N2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)c(OC)cc1Cl ZINC001200535823 1068848598 /nfs/dbraw/zinc/84/85/98/1068848598.db2.gz VNIUILOYORUNSP-UHFFFAOYSA-N 0 0 482.027 4.014 20 0 JIADRN COc1cc(NC(=S)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c(OC)cc1Cl ZINC001200535749 1068848670 /nfs/dbraw/zinc/84/86/70/1068848670.db2.gz OKTBWLWXPORJCX-LADGPHEKSA-N 0 0 474.026 4.319 20 0 JIADRN COc1cc(NC(=S)N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c(OC)cc1Cl ZINC001200535871 1068849141 /nfs/dbraw/zinc/84/91/41/1068849141.db2.gz WTTXEKFNIHIDDX-XMMPIXPASA-N 0 0 474.026 4.487 20 0 JIADRN CCOC[C@@H]1CN(C(=S)Nc2cc(OC)c(Cl)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001200536413 1068849876 /nfs/dbraw/zinc/84/98/76/1068849876.db2.gz ADMUQTJEGZYQKY-HNNXBMFYSA-N 0 0 465.019 4.296 20 0 JIADRN COc1cc(NC(=S)N2CCN(C[C@@H](OC)c3ccccc3)CC2)c(OC)cc1Cl ZINC001200536751 1068850421 /nfs/dbraw/zinc/85/04/21/1068850421.db2.gz IPBLTOKSFWPNDO-OAQYLSRUSA-N 0 0 450.004 4.059 20 0 JIADRN COc1cc(NC(=S)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(OC)cc1Cl 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FDJFLIAVHZUHLM-QGZVFWFLSA-N 0 0 484.626 4.118 20 0 JIADRN COc1ccccc1-c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1nc(C)cs1 ZINC001300490417 1068854271 /nfs/dbraw/zinc/85/42/71/1068854271.db2.gz CVPKUICYHXBHEO-QGZVFWFLSA-N 0 0 484.626 4.213 20 0 JIADRN COc1ccccc1-c1nnc(N2CCC(OC(C)C)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001300490852 1068855214 /nfs/dbraw/zinc/85/52/14/1068855214.db2.gz KPLBGOKRBCARDF-UHFFFAOYSA-N 0 0 473.618 4.262 20 0 JIADRN CCOCc1nc(C)c(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)s1 ZINC001354039322 1068856546 /nfs/dbraw/zinc/85/65/46/1068856546.db2.gz ZBXXTQFPLJKZFW-MRXNPFEDSA-N 0 0 455.502 4.100 20 0 JIADRN COC(=O)c1c(NC(=O)/C(C)=C/c2cccnc2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001354042673 1068858654 /nfs/dbraw/zinc/85/86/54/1068858654.db2.gz JUTFVNWKRCJIFZ-SDNWHVSQSA-N 0 0 457.552 4.265 20 0 JIADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc4occc4c3)c2)cc1 ZINC001300492715 1068858999 /nfs/dbraw/zinc/85/89/99/1068858999.db2.gz QIDVATSLHNIABJ-UHFFFAOYSA-N 0 0 450.516 4.481 20 0 JIADRN 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COc1ccc(Cn2c(C)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1 ZINC001315486411 1064357415 /nfs/dbraw/zinc/35/74/15/1064357415.db2.gz UQZUDRLMPUUWNB-HNNXBMFYSA-N 0 0 469.508 4.013 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(C)(C)C)c(OC)n1 ZINC001315486509 1064358420 /nfs/dbraw/zinc/35/84/20/1064358420.db2.gz CDWNOTZTRTUIJA-UHFFFAOYSA-N 0 0 461.513 4.489 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2C[C@@H](OC)C(C)(C)C2)cc1Br ZINC001315487774 1064362832 /nfs/dbraw/zinc/36/28/32/1064362832.db2.gz LLRFFMBKRSOTQT-LJQANCHMSA-N 0 0 472.387 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccc(C)cc2)cn1 ZINC001315489245 1064368034 /nfs/dbraw/zinc/36/80/34/1064368034.db2.gz MERAADMKBZZCJC-UHFFFAOYSA-N 0 0 464.957 4.269 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCSC[C@@H]2C)cn1 ZINC001315489495 1064369693 /nfs/dbraw/zinc/36/96/93/1064369693.db2.gz MIQUJXUIIYQOBX-HOTGVXAUSA-N 0 0 460.003 4.465 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2nccs2)cc1OC(F)F ZINC001315490404 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/nfs/dbraw/zinc/18/24/06/1066182406.db2.gz GAUUVIHQSGBGTQ-CQSZACIVSA-N 0 0 496.450 4.224 20 0 JIADRN CSC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CCOCC1 ZINC001316403181 1066183432 /nfs/dbraw/zinc/18/34/32/1066183432.db2.gz MGIXQVIHZKUKIL-DZGCQCFKSA-N 0 0 491.967 4.062 20 0 JIADRN CSC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@H]2CCOC2)CCOCC1 ZINC001316403271 1066183851 /nfs/dbraw/zinc/18/38/51/1066183851.db2.gz PJDNWXYRTLEYGR-HNNXBMFYSA-N 0 0 457.427 4.389 20 0 JIADRN CSC1(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2cnccn2)CC1 ZINC001316403278 1066183876 /nfs/dbraw/zinc/18/38/76/1066183876.db2.gz PWPLKDJXLJGNKR-UHFFFAOYSA-N 0 0 463.380 4.169 20 0 JIADRN CSC1(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001316404334 1066186101 /nfs/dbraw/zinc/18/61/01/1066186101.db2.gz TVQXVWZPDSQINP-QGZVFWFLSA-N 0 0 460.648 4.300 20 0 JIADRN CSC1(Cn2c(-c3ccccn3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001316405119 1066187861 /nfs/dbraw/zinc/18/78/61/1066187861.db2.gz WZPIWJFFRIZZFK-UHFFFAOYSA-N 0 0 458.632 4.119 20 0 JIADRN CSC1(Cn2c(-c3cccc(C)n3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001316405670 1066188317 /nfs/dbraw/zinc/18/83/17/1066188317.db2.gz GLMPXYRTYRLIJI-UHFFFAOYSA-N 0 0 458.632 4.038 20 0 JIADRN CSC1(Cn2c(Cc3ccncc3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CCC1 ZINC001316408900 1066193967 /nfs/dbraw/zinc/19/39/67/1066193967.db2.gz SRJHWZRAZRUATM-FQEVSTJZSA-N 0 0 478.666 4.205 20 0 JIADRN CSC1(Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCC1 ZINC001316409134 1066194692 /nfs/dbraw/zinc/19/46/92/1066194692.db2.gz XHHGJFSJUYDVKP-UHFFFAOYSA-N 0 0 470.687 4.093 20 0 JIADRN CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCC1 ZINC001316409627 1066195409 /nfs/dbraw/zinc/19/54/09/1066195409.db2.gz FQZFIJCQSAYJJK-OAQYLSRUSA-N 0 0 485.698 4.453 20 0 JIADRN CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001316409927 1066196393 /nfs/dbraw/zinc/19/63/93/1066196393.db2.gz LGYISDXBHYDFCV-UHFFFAOYSA-N 0 0 476.952 4.300 20 0 JIADRN CSC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H]2CCSC2)CCOCC1 ZINC001316410163 1066197870 /nfs/dbraw/zinc/19/78/70/1066197870.db2.gz PUHQSCBUFDOGGT-IBGZPJMESA-N 0 0 462.685 4.328 20 0 JIADRN CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CCC1 ZINC001316411498 1066200824 /nfs/dbraw/zinc/20/08/24/1066200824.db2.gz QBVSYOBTTKCPPV-HKBQPEDESA-N 0 0 475.709 4.293 20 0 JIADRN CSC1(Cn2c(N(C)[C@@H](C)c3ccco3)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 ZINC001316412206 1066202469 /nfs/dbraw/zinc/20/24/69/1066202469.db2.gz YYRYFWPZDACFRW-MBSDFSHPSA-N 0 0 464.632 4.021 20 0 JIADRN CSc1cc(Cn2c(-c3ccccn3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)ccn1 ZINC001316412753 1066203395 /nfs/dbraw/zinc/20/33/95/1066203395.db2.gz AWKJLTXNZVZUEG-UHFFFAOYSA-N 0 0 495.653 4.389 20 0 JIADRN CSc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2ccc(Cl)cc2)ccn1 ZINC001316412842 1066203863 /nfs/dbraw/zinc/20/38/63/1066203863.db2.gz CJTNHKICXOZTMN-UHFFFAOYSA-N 0 0 494.024 4.423 20 0 JIADRN CSc1cc(Cn2c(C)nnc2N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccn1 ZINC001316413994 1066206782 /nfs/dbraw/zinc/20/67/82/1066206782.db2.gz MQPBPJMVCVZAOT-HXUWFJFHSA-N 0 0 465.627 4.098 20 0 JIADRN CSc1cc(Cn2c(-c3ccccc3C)nnc2N2CCO[C@@H](COC(C)C)C2)ccn1 ZINC001316414179 1066207846 /nfs/dbraw/zinc/20/78/46/1066207846.db2.gz LTROREAQWILMEK-HXUWFJFHSA-N 0 0 453.612 4.049 20 0 JIADRN CSc1cc(C)ccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001316415337 1066210787 /nfs/dbraw/zinc/21/07/87/1066210787.db2.gz PTXZGFDLNHHXFC-SJLPKXTDSA-N 0 0 456.534 4.366 20 0 JIADRN CSc1cc(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)ccn1 ZINC001316415295 1066210883 /nfs/dbraw/zinc/21/08/83/1066210883.db2.gz VDNOFJGTNYJSSY-UHFFFAOYSA-N 0 0 461.595 4.324 20 0 JIADRN CSc1cc(C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(C)CC1 ZINC001316416330 1066214203 /nfs/dbraw/zinc/21/42/03/1066214203.db2.gz XTYMCLUATDXCHR-AJPWXKBRSA-N 0 0 462.685 4.274 20 0 JIADRN CSc1ccc(CCn2c(-c3ccccn3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001316416558 1066214878 /nfs/dbraw/zinc/21/48/78/1066214878.db2.gz DJUVZRSPMNMMPB-BEFAXECRSA-N 0 0 463.529 4.461 20 0 JIADRN CSc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001316416534 1066214888 /nfs/dbraw/zinc/21/48/88/1066214888.db2.gz ZVECLGHJKXVDER-BGYRXZFFSA-N 0 0 459.704 4.491 20 0 JIADRN CSc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001316417416 1066217327 /nfs/dbraw/zinc/21/73/27/1066217327.db2.gz SCHOZGICQLVWAO-UHFFFAOYSA-N 0 0 468.627 4.141 20 0 JIADRN CSc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC001316417461 1066217339 /nfs/dbraw/zinc/21/73/39/1066217339.db2.gz STGJOBSDVLFJTJ-YADARESESA-N 0 0 489.711 4.180 20 0 JIADRN CSc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1 ZINC001316417606 1066217766 /nfs/dbraw/zinc/21/77/66/1066217766.db2.gz WXTIGBCZRMWODG-VGSWGCGISA-N 0 0 484.588 4.276 20 0 JIADRN CSc1ccc(F)cc1Cn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)NC(C)C ZINC001316418363 1066219626 /nfs/dbraw/zinc/21/96/26/1066219626.db2.gz FTMVLDVOZBVMMA-UHFFFAOYSA-N 0 0 457.579 4.066 20 0 JIADRN CSc1cccc(F)c1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001316418945 1066220643 /nfs/dbraw/zinc/22/06/43/1066220643.db2.gz WFWOOGCFROOLPR-MRXNPFEDSA-N 0 0 494.562 4.246 20 0 JIADRN COc1cccc(N2CCC(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)c1 ZINC001324552376 1066221952 /nfs/dbraw/zinc/22/19/52/1066221952.db2.gz CBVLWPRHJUCIMT-UHFFFAOYSA-N 0 0 493.629 4.228 20 0 JIADRN CSc1ccc(F)cc1Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001316419840 1066223205 /nfs/dbraw/zinc/22/32/05/1066223205.db2.gz XRVCLXNJLSHERK-BWKNWUBXSA-N 0 0 492.661 4.479 20 0 JIADRN COc1cccc(N2CCC(NC(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)CC2)c1 ZINC001324575203 1066223354 /nfs/dbraw/zinc/22/33/54/1066223354.db2.gz DFGUELLAXNGSSE-UHFFFAOYSA-N 0 0 491.419 4.138 20 0 JIADRN Cc1ccn(-c2cccc(C(=O)OCC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)c2)n1 ZINC001324579379 1066223988 /nfs/dbraw/zinc/22/39/88/1066223988.db2.gz XVNQDPCPBWTHJZ-UHFFFAOYSA-N 0 0 482.540 4.215 20 0 JIADRN Cc1c(CN(C)c2nnc(-c3cccc(C)n3)n2CCOc2cccc(Cl)c2)cnn1C ZINC001492498715 1066224482 /nfs/dbraw/zinc/22/44/82/1066224482.db2.gz PNBIFTUXYGJPLX-UHFFFAOYSA-N 0 0 451.962 4.059 20 0 JIADRN CSc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(C)=O)nc1 ZINC001316420544 1066224801 /nfs/dbraw/zinc/22/48/01/1066224801.db2.gz VHWCVLSWAKLCND-UHFFFAOYSA-N 0 0 473.606 4.409 20 0 JIADRN CSc1ccc(F)cc1Cn1c(C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001316420602 1066225702 /nfs/dbraw/zinc/22/57/02/1066225702.db2.gz PMGSLGLHVIWOMM-UHFFFAOYSA-N 0 0 454.575 4.054 20 0 JIADRN COc1cccc(C(=O)C(C(=S)Nc2cccc(F)c2F)[n+]2cccc([O-])c2Cl)n1 ZINC001324649814 1066225856 /nfs/dbraw/zinc/22/58/56/1066225856.db2.gz QYXDIWMFTCJAMS-UHFFFAOYSA-O 0 0 450.874 4.338 20 0 JIADRN COCCN(C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001324684724 1066227014 /nfs/dbraw/zinc/22/70/14/1066227014.db2.gz UMOCMIQVUVNATE-FXAWDEMLSA-N 0 0 477.527 4.257 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H]2COCCO2)C1 ZINC001316421413 1066228169 /nfs/dbraw/zinc/22/81/69/1066228169.db2.gz FECRESAKTUFDES-GBESFXJTSA-N 0 0 464.607 4.085 20 0 JIADRN COc1ccc(C(NC(=O)Nc2ccccc2CS(C)(=O)=O)c2ccc(OC)cc2)cc1 ZINC001324763603 1066228792 /nfs/dbraw/zinc/22/87/92/1066228792.db2.gz PXRRLNGVFKKUCE-UHFFFAOYSA-N 0 0 454.548 4.160 20 0 JIADRN O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001324830716 1066229332 /nfs/dbraw/zinc/22/93/32/1066229332.db2.gz JRHOGIGEJHGPDI-UHFFFAOYSA-N 0 0 483.553 4.151 20 0 JIADRN CSc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001316422276 1066230514 /nfs/dbraw/zinc/23/05/14/1066230514.db2.gz ZVNNDNMJMQRUDO-IFMALSPDSA-N 0 0 471.671 4.083 20 0 JIADRN O=C(NCCNC(=O)c1ccccc1C(F)(F)F)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC001324942694 1066233244 /nfs/dbraw/zinc/23/32/44/1066233244.db2.gz ICFBVIQZPSLYLN-UHFFFAOYSA-N 0 0 490.526 4.453 20 0 JIADRN COc1ccc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1-c1ccccc1 ZINC001324942697 1066233348 /nfs/dbraw/zinc/23/33/48/1066233348.db2.gz IHVKUSDUPDSIMB-UHFFFAOYSA-N 0 0 486.568 4.248 20 0 JIADRN COc1cc(Br)c(OC)c(C(=O)Nc2cc(Br)ccc2-n2cncn2)c1 ZINC001324980655 1066234003 /nfs/dbraw/zinc/23/40/03/1066234003.db2.gz STQALHSYRXSKCM-UHFFFAOYSA-N 0 0 482.132 4.062 20 0 JIADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001324980906 1066234023 /nfs/dbraw/zinc/23/40/23/1066234023.db2.gz WWFJWHPCOBVQFN-QGZVFWFLSA-N 0 0 454.958 4.139 20 0 JIADRN CSc1ccccc1CN(C)c1nnc([C@H]2CCCO2)n1CCN(C)C(=O)OC(C)(C)C ZINC001316423136 1066234304 /nfs/dbraw/zinc/23/43/04/1066234304.db2.gz QIZXMTOAKSKIIZ-GOSISDBHSA-N 0 0 461.632 4.355 20 0 JIADRN CSc1ccccc1CN(C)c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001316423398 1066235687 /nfs/dbraw/zinc/23/56/87/1066235687.db2.gz GRHDJIPJBNKMLE-UHFFFAOYSA-N 0 0 462.685 4.336 20 0 JIADRN COc1ccc(C[C@@H](C)N(C)C(=O)CCC(=O)c2ccc(I)cc2)cc1 ZINC001325028980 1066237156 /nfs/dbraw/zinc/23/71/56/1066237156.db2.gz 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O=C(CSc1ccccc1C(=O)Nc1cnn(Cc2cccnc2)c1)Nc1ccc2c(c1)OCO2 ZINC001325218375 1066240513 /nfs/dbraw/zinc/24/05/13/1066240513.db2.gz HGRRHTLDWPJBAL-UHFFFAOYSA-N 0 0 487.541 4.038 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001492499208 1066241040 /nfs/dbraw/zinc/24/10/40/1066241040.db2.gz IDGRQZYWKOSBHZ-UHFFFAOYSA-N 0 0 472.540 4.478 20 0 JIADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2CCn2cc(Br)cn2)n1 ZINC001492499199 1066241313 /nfs/dbraw/zinc/24/13/13/1066241313.db2.gz HTBCHBDNUXVCDC-UHFFFAOYSA-N 0 0 488.340 4.222 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001316425194 1066241820 /nfs/dbraw/zinc/24/18/20/1066241820.db2.gz ZHTUENCLCNEPHZ-BWKNWUBXSA-N 0 0 489.686 4.271 20 0 JIADRN CS[C@@H]1CCCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2C)C1 ZINC001316425145 1066241920 /nfs/dbraw/zinc/24/19/20/1066241920.db2.gz YUCGXIGTZPWGDP-SESVDKBCSA-N 0 0 491.727 4.354 20 0 JIADRN 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C[C@@H]1CCO[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001316485869 1066405955 /nfs/dbraw/zinc/40/59/55/1066405955.db2.gz MIMQDAJNVVUITI-YMPZKCBVSA-N 0 0 483.657 4.324 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001316486042 1066406877 /nfs/dbraw/zinc/40/68/77/1066406877.db2.gz QKSJNGLONGMANP-MISYRCLQSA-N 0 0 475.659 4.049 20 0 JIADRN Cc1cccc(CCCn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001492525688 1066406699 /nfs/dbraw/zinc/40/66/99/1066406699.db2.gz GQBMTUIHFDMUPU-UNMCSNQZSA-N 0 0 484.645 4.302 20 0 JIADRN Cc1ccccc1-n1c(-c2ccncc2)nn(CN2CCCN(c3ncccc3F)CC2)c1=S ZINC001335299046 1066407836 /nfs/dbraw/zinc/40/78/36/1066407836.db2.gz GRYYLNQTMOJPNK-UHFFFAOYSA-N 0 0 475.597 4.478 20 0 JIADRN COCCCn1c(=S)n(CN2CCCN(c3nc(C)ns3)CC2)nc1-c1ccccc1Cl ZINC001335301170 1066409066 /nfs/dbraw/zinc/40/90/66/1066409066.db2.gz REWDRUZMRSCXKI-UHFFFAOYSA-N 0 0 494.090 4.101 20 0 JIADRN Fc1cccnc1N1CCCN(Cn2nc(-c3cccnc3)n(Cc3ccccc3)c2=S)CC1 ZINC001335301709 1066409525 /nfs/dbraw/zinc/40/95/25/1066409525.db2.gz XRJHKTBPZAEYNZ-UHFFFAOYSA-N 0 0 475.597 4.228 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1F ZINC001316488183 1066414864 /nfs/dbraw/zinc/41/48/64/1066414864.db2.gz XWRUZFRYHHLLTM-SFZNITCESA-N 0 0 457.413 4.049 20 0 JIADRN Cc1cccc(CCCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)n1 ZINC001492526309 1066415306 /nfs/dbraw/zinc/41/53/06/1066415306.db2.gz ULGUXTISTOINGI-QFIPXVFZSA-N 0 0 490.652 4.373 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001316488422 1066415750 /nfs/dbraw/zinc/41/57/50/1066415750.db2.gz YCTVTIMOTPHFLK-YVDDDVPZSA-N 0 0 491.677 4.417 20 0 JIADRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC001316488413 1066415899 /nfs/dbraw/zinc/41/58/99/1066415899.db2.gz XUCKAPDZMPLIBT-CZUORRHYSA-N 0 0 475.437 4.216 20 0 JIADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2cccc(C)n2)cs1 ZINC001492526720 1066416170 /nfs/dbraw/zinc/41/61/70/1066416170.db2.gz JGSGPUMKCBDGLX-UHFFFAOYSA-N 0 0 497.669 4.027 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOC2=O)C[C@H]1C(F)(F)F ZINC001316488502 1066416618 /nfs/dbraw/zinc/41/66/18/1066416618.db2.gz KXOGRULCTROOEV-CZUORRHYSA-N 0 0 489.445 4.023 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CCCC3)n2CCOCC(F)(F)C(F)F)CCN1C(=O)OC(C)(C)C ZINC001316488803 1066417436 /nfs/dbraw/zinc/41/74/36/1066417436.db2.gz BERTXVAVKQLIAH-OAHLLOKOSA-N 0 0 493.546 4.298 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCN(C)CC(F)(F)F)C[C@@H]1F ZINC001316488959 1066418131 /nfs/dbraw/zinc/41/81/31/1066418131.db2.gz ZQNRWMWTTCZZAU-WBVHZDCISA-N 0 0 465.499 4.014 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)F)CCN1C(=O)OC(C)(C)C ZINC001316488925 1066418200 /nfs/dbraw/zinc/41/82/00/1066418200.db2.gz YHRANAOPTHAMDE-OAHLLOKOSA-N 0 0 485.963 4.326 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001316489592 1066421161 /nfs/dbraw/zinc/42/11/61/1066421161.db2.gz PWPCKYORLUZDPF-DJIMGWMZSA-N 0 0 483.501 4.224 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CCCO2)CCN1C(=O)OC(C)(C)C ZINC001316489935 1066422285 /nfs/dbraw/zinc/42/22/85/1066422285.db2.gz KSSOLQUBTBBOJE-CRICUBBOSA-N 0 0 491.583 4.162 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CCN1C(=O)OC(C)(C)C ZINC001316490125 1066423015 /nfs/dbraw/zinc/42/30/15/1066423015.db2.gz NUPQUXCZJIGTDL-NQIIRXRSSA-N 0 0 488.032 4.313 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C(F)(F)F ZINC001316490228 1066423115 /nfs/dbraw/zinc/42/31/15/1066423115.db2.gz YIKFXRGOCLBPLB-XJKCOSOUSA-N 0 0 463.426 4.073 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccco2)C[C@H]1C(F)(F)F ZINC001316490401 1066424000 /nfs/dbraw/zinc/42/40/00/1066424000.db2.gz UCGIEIWSTSCGBX-VWLHBSKXSA-N 0 0 470.442 4.282 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2F)CCN1C(=O)OC(C)(C)C ZINC001316490323 1066424088 /nfs/dbraw/zinc/42/40/88/1066424088.db2.gz QQGHSHCLWUJSCS-QGZVFWFLSA-N 0 0 484.551 4.036 20 0 JIADRN Fc1cccnc1N1CCCN(Cn2nc(-c3ccncc3)n(Cc3ccccc3)c2=S)CC1 ZINC001335872814 1066426159 /nfs/dbraw/zinc/42/61/59/1066426159.db2.gz BNRQXJXLFUMDLK-UHFFFAOYSA-N 0 0 475.597 4.228 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1F ZINC001316490948 1066426833 /nfs/dbraw/zinc/42/68/33/1066426833.db2.gz LLCATFRMBLRWRJ-DYVFJYSZSA-N 0 0 451.880 4.361 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C(F)(F)F ZINC001316490963 1066426844 /nfs/dbraw/zinc/42/68/44/1066426844.db2.gz LSLZJIHUNYURKS-LSBZLQRGSA-N 0 0 495.546 4.048 20 0 JIADRN Cc1cc(C)c(C(=O)NCCN2C(=O)SC(=Cc3ccc(Cl)cc3Cl)C2=O)c(=O)[nH]1 ZINC001335880957 1066427058 /nfs/dbraw/zinc/42/70/58/1066427058.db2.gz JEUMIXJYVXQTQR-NVNXTCNLSA-N 0 0 466.346 4.177 20 0 JIADRN 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CON(C)S(=O)(=O)c1cc(C(=O)OCc2cc(Cl)ccc2OC(F)F)ccc1Cl ZINC001343272787 1066606122 /nfs/dbraw/zinc/60/61/22/1066606122.db2.gz LMDWNNMLYWQQDY-UHFFFAOYSA-N 0 0 470.277 4.134 20 0 JIADRN OCCCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001316586363 1066609804 /nfs/dbraw/zinc/60/98/04/1066609804.db2.gz PQSVQBHNFBDNFQ-MSOLQXFVSA-N 0 0 480.451 4.231 20 0 JIADRN OCCCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCO[C@H]2CCOC2)CC1 ZINC001316586354 1066609965 /nfs/dbraw/zinc/60/99/65/1066609965.db2.gz PKFUZLNYBYHHHO-IBGZPJMESA-N 0 0 483.440 4.436 20 0 JIADRN OCCCC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCO2)CC1 ZINC001316586473 1066610444 /nfs/dbraw/zinc/61/04/44/1066610444.db2.gz SYCSRDOOQBFCRL-SFHVURJKSA-N 0 0 463.420 4.266 20 0 JIADRN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 ZINC001343366050 1066611547 /nfs/dbraw/zinc/61/15/47/1066611547.db2.gz AHUCZKWDYOYNQE-UHFFFAOYSA-N 0 0 495.601 4.307 20 0 JIADRN OCCCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001316586992 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QLIFFEWBQHKUIO-KRWDZBQOSA-N 0 0 453.804 4.476 20 0 JIADRN COc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](C(C)C)C2)cc1Br ZINC001300152319 1067808927 /nfs/dbraw/zinc/80/89/27/1067808927.db2.gz YCUGCTYCDAYLNA-QZTJIDSGSA-N 0 0 463.420 4.278 20 0 JIADRN COc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@H](C(C)C)C2)cc1Br ZINC001300152324 1067809010 /nfs/dbraw/zinc/80/90/10/1067809010.db2.gz YCUGCTYCDAYLNA-ZWKOTPCHSA-N 0 0 463.420 4.278 20 0 JIADRN COc1ccc(Sc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cnn(C)c4)C3)cc2Cl)cc1 ZINC001357137525 1067809182 /nfs/dbraw/zinc/80/91/82/1067809182.db2.gz JALLSFJIEZFXDU-CQSZACIVSA-N 0 0 456.955 4.225 20 0 JIADRN COc1ccc(CCn2c(Cc3ccsc3)nnc2Nc2ccn(C)n2)c(Cl)c1OC ZINC001300152735 1067809291 /nfs/dbraw/zinc/80/92/91/1067809291.db2.gz WXZQRMQGFFZWND-UHFFFAOYSA-N 0 0 458.975 4.321 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001300152925 1067809586 /nfs/dbraw/zinc/80/95/86/1067809586.db2.gz AJNWPAVXXJAYOL-HLAWJBBLSA-N 0 0 459.587 4.080 20 0 JIADRN Cn1cc(C(=O)N(Cc2ccccc2F)c2ccccc2F)c(I)n1 ZINC001352936140 1067810478 /nfs/dbraw/zinc/81/04/78/1067810478.db2.gz IPJNZXLXSDICRP-UHFFFAOYSA-N 0 0 453.230 4.150 20 0 JIADRN CCOC(=O)CCNC(=S)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc21 ZINC001200176513 1067810532 /nfs/dbraw/zinc/81/05/32/1067810532.db2.gz AJSNTUWNBLYEGK-HXUWFJFHSA-N 0 0 475.655 4.126 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC001300154939 1067810766 /nfs/dbraw/zinc/81/07/66/1067810766.db2.gz XLCWMLKBSXULOG-COPCDDAFSA-N 0 0 459.562 4.303 20 0 JIADRN CC(C)C[C@@H](CC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001300154919 1067810822 /nfs/dbraw/zinc/81/08/22/1067810822.db2.gz XHCTZFWATKDJRI-IBGZPJMESA-N 0 0 455.640 4.469 20 0 JIADRN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)sc2c1 ZINC001352939716 1067811374 /nfs/dbraw/zinc/81/13/74/1067811374.db2.gz XTOGYSDWVDKKTK-OLZOCXBDSA-N 0 0 456.467 4.341 20 0 JIADRN O=C(NCCc1cc(Cl)ccc1Br)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC001357154646 1067811653 /nfs/dbraw/zinc/81/16/53/1067811653.db2.gz UWXLJPCRXIJMHI-IBGZPJMESA-N 0 0 451.773 4.390 20 0 JIADRN COc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C)[C@@H]2C)cc1OC(F)F ZINC001300155660 1067811742 /nfs/dbraw/zinc/81/17/42/1067811742.db2.gz DZNKVSWYTFDXER-QAPCUYQASA-N 0 0 474.556 4.227 20 0 JIADRN CSc1nnc(CCCNC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1C1CCCC1 ZINC001352940931 1067811890 /nfs/dbraw/zinc/81/18/90/1067811890.db2.gz WECQWSHBUMJLNA-ROUUACIJSA-N 0 0 457.644 4.091 20 0 JIADRN COc1ccc(CCn2c(CC3CCCC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC001300155966 1067812231 /nfs/dbraw/zinc/81/22/31/1067812231.db2.gz LKMYOZMYDDBCMV-SFHVURJKSA-N 0 0 465.564 4.335 20 0 JIADRN Cc1csc(N(CC(F)(F)F)C(=O)c2cnn(C(C)C)c2I)n1 ZINC001357157259 1067812351 /nfs/dbraw/zinc/81/23/51/1067812351.db2.gz NQAUDSZGWJERBP-UHFFFAOYSA-N 0 0 458.247 4.043 20 0 JIADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001357163600 1067812619 /nfs/dbraw/zinc/81/26/19/1067812619.db2.gz JKVASYKLJRZMHY-UHFFFAOYSA-N 0 0 458.543 4.145 20 0 JIADRN COc1ccc(CCn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1F ZINC001300156310 1067812839 /nfs/dbraw/zinc/81/28/39/1067812839.db2.gz WNAFNMGNPXPBIK-UHFFFAOYSA-N 0 0 486.636 4.031 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CCc2cc(C(F)(F)F)ccn2)cc1C ZINC001300156597 1067813014 /nfs/dbraw/zinc/81/30/14/1067813014.db2.gz CFPZCXONNHOYSY-UHFFFAOYSA-N 0 0 490.530 4.026 20 0 JIADRN COc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(OC)C2)c(OC)c1OC ZINC001300156533 1067813070 /nfs/dbraw/zinc/81/30/70/1067813070.db2.gz YYZNRNHMMVCSIP-AREMUKBSSA-N 0 0 472.630 4.285 20 0 JIADRN CCOc1c(OC)cc(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)cc1OC ZINC001357164909 1067813129 /nfs/dbraw/zinc/81/31/29/1067813129.db2.gz BPYLYFRYJSZIMF-ZDUSSCGKSA-N 0 0 454.336 4.499 20 0 JIADRN COc1ccc(CCn2c(N3CCO[C@H](c4nc(C)cs4)C3)nnc2C(C)(C)C)cc1OC ZINC001300156874 1067813331 /nfs/dbraw/zinc/81/33/31/1067813331.db2.gz CRIHHKFDACIQTF-FQEVSTJZSA-N 0 0 471.627 4.178 20 0 JIADRN Cc1cnn(-c2c(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)c(C)nn2C)c1 ZINC001357166309 1067813410 /nfs/dbraw/zinc/81/34/10/1067813410.db2.gz KQIQSMMPLFBGIF-UHFFFAOYSA-N 0 0 454.962 4.191 20 0 JIADRN NC(=O)c1cc(Oc2cccc(OC(=O)c3cccc(C(=O)Nc4ccccc4)c3)c2)ccn1 ZINC001357167383 1067813624 /nfs/dbraw/zinc/81/36/24/1067813624.db2.gz JBRRWQOLLXAFSM-UHFFFAOYSA-N 0 0 453.454 4.444 20 0 JIADRN O=C(Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)C1(n2cnnn2)CCOCC1 ZINC001357170319 1067813927 /nfs/dbraw/zinc/81/39/27/1067813927.db2.gz HEBNRDAHZYFAID-UHFFFAOYSA-N 0 0 452.273 4.056 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@H](C)C2)c(OC)c1 ZINC001300157559 1067814022 /nfs/dbraw/zinc/81/40/22/1067814022.db2.gz NBSJNYQABPOPDQ-ROUUACIJSA-N 0 0 464.570 4.015 20 0 JIADRN C[C@@H]1CN(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CCc2ccc(F)cc21 ZINC001300157886 1067814267 /nfs/dbraw/zinc/81/42/67/1067814267.db2.gz VHDSRQZJBGZNCE-DYESRHJHSA-N 0 0 456.562 4.396 20 0 JIADRN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001357176342 1067814239 /nfs/dbraw/zinc/81/42/39/1067814239.db2.gz JZSWQJQWYCQYSV-ILWGZMRPSA-N 0 0 452.599 4.461 20 0 JIADRN CN1CCN(C(=O)Cc2ccc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2)CC1 ZINC001357176576 1067814509 /nfs/dbraw/zinc/81/45/09/1067814509.db2.gz SDZOLJXGJRISQZ-UHFFFAOYSA-N 0 0 455.602 4.043 20 0 JIADRN COc1cc([C@H](C)NC(=O)[C@@H]2CCOc3ccc(Br)cc32)cc(OC)c1OC ZINC001357176358 1067814539 /nfs/dbraw/zinc/81/45/39/1067814539.db2.gz TZJVTVGVZAKVSD-SWLSCSKDSA-N 0 0 450.329 4.218 20 0 JIADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001352947475 1067814789 /nfs/dbraw/zinc/81/47/89/1067814789.db2.gz CTCTWTZPXWKCBU-UHFFFAOYSA-N 0 0 453.948 4.114 20 0 JIADRN CCOc1ccccc1OCCCC(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC001357180640 1067814989 /nfs/dbraw/zinc/81/49/89/1067814989.db2.gz SOMDGDRLUCPVMX-HXUWFJFHSA-N 0 0 450.329 4.037 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(C)C)n2Cc2nnc3n2CCCCC3)cc1OC(F)F ZINC001300159043 1067815329 /nfs/dbraw/zinc/81/53/29/1067815329.db2.gz NSKNCSDELJUUBT-UHFFFAOYSA-N 0 0 475.544 4.014 20 0 JIADRN COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)cc1OC ZINC001300159235 1067815354 /nfs/dbraw/zinc/81/53/54/1067815354.db2.gz VAMXUDIXNWYSPV-UHFFFAOYSA-N 0 0 466.586 4.405 20 0 JIADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CCOc4ccccc4Cl)CC3)cc2F)n1 ZINC001357185575 1067815658 /nfs/dbraw/zinc/81/56/58/1067815658.db2.gz ROVMZCKVGMSPLL-UHFFFAOYSA-N 0 0 456.949 4.118 20 0 JIADRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001357186288 1067815801 /nfs/dbraw/zinc/81/58/01/1067815801.db2.gz QYJFNTQSSACDNZ-UHFFFAOYSA-N 0 0 458.002 4.334 20 0 JIADRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(N(C)C)nc4ccccc43)c2)cc1 ZINC001357186260 1067815917 /nfs/dbraw/zinc/81/59/17/1067815917.db2.gz VRUCIXUGODBCNF-UHFFFAOYSA-N 0 0 452.558 4.469 20 0 JIADRN COc1ccc(Br)cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001357191371 1067816340 /nfs/dbraw/zinc/81/63/40/1067816340.db2.gz RBPFYIAEKWJAFT-UHFFFAOYSA-N 0 0 457.044 4.225 20 0 JIADRN Cc1c2ccccc2c(=O)oc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001357196903 1067817354 /nfs/dbraw/zinc/81/73/54/1067817354.db2.gz XBXYVJPVEHRLTJ-XOBRGWDASA-N 0 0 458.917 4.086 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccn3C)n2Cc2ccc(Cl)nc2)cc1OC ZINC001300162384 1067817421 /nfs/dbraw/zinc/81/74/21/1067817421.db2.gz LLKXLBAYHMLXQR-UHFFFAOYSA-N 0 0 452.946 4.034 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2OCCC2(C)C)cc1O ZINC001300162506 1067817786 /nfs/dbraw/zinc/81/77/86/1067817786.db2.gz OFNKJUFYKBWLFZ-IBGZPJMESA-N 0 0 457.962 4.159 20 0 JIADRN COC(=O)c1cc(I)cnc1NC(=S)Nc1c(C)cccc1Cl ZINC001200186281 1067817839 /nfs/dbraw/zinc/81/78/39/1067817839.db2.gz ZBNFOOBHBAHMCY-UHFFFAOYSA-N 0 0 461.712 4.244 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCO2)c(OC)c1 ZINC001300162764 1067818357 /nfs/dbraw/zinc/81/83/57/1067818357.db2.gz SDXJLRZQTYCUAQ-IBGZPJMESA-N 0 0 457.962 4.216 20 0 JIADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N(C)Cc1cc(Br)cs1 ZINC001357203993 1067818381 /nfs/dbraw/zinc/81/83/81/1067818381.db2.gz QZVXPWNETSJVFM-NSHDSACASA-N 0 0 452.399 4.440 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCC[C@H]2C)cc1C ZINC001300162703 1067818404 /nfs/dbraw/zinc/81/84/04/1067818404.db2.gz PVTSUELNQQNDKU-MZNJEOGPSA-N 0 0 455.990 4.498 20 0 JIADRN Cc1ccc(NC(=O)c2c(C(F)(F)F)nc3ccccn32)cc1NC(=O)CN1CCCCC1 ZINC001357208470 1067818632 /nfs/dbraw/zinc/81/86/32/1067818632.db2.gz ARRZNEOJSHNOPW-UHFFFAOYSA-N 0 0 459.472 4.338 20 0 JIADRN Cc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1NC(=O)CN1CCCCC1 ZINC001357209308 1067818913 /nfs/dbraw/zinc/81/89/13/1067818913.db2.gz JUVRWYWQFUJIPX-UHFFFAOYSA-N 0 0 457.578 4.101 20 0 JIADRN COc1cc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)ccc1N1CCCC1=O ZINC001357211561 1067819196 /nfs/dbraw/zinc/81/91/96/1067819196.db2.gz XMRASWTTYGVGDV-UHFFFAOYSA-N 0 0 451.523 4.372 20 0 JIADRN CN(CCc1ccc(Br)cc1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001352960761 1067819319 /nfs/dbraw/zinc/81/93/19/1067819319.db2.gz 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CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCCc2ccccc2)CCO1 ZINC001359569516 1069930206 /nfs/dbraw/zinc/93/02/06/1069930206.db2.gz JHPOFGWOESEHGZ-PKTZIBPZSA-N 0 0 499.656 4.273 20 0 JIADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC2CC2)CCO1 ZINC001359569230 1069927629 /nfs/dbraw/zinc/92/76/29/1069927629.db2.gz CXLIOGSWAYOSPI-KRWDZBQOSA-N 0 0 461.994 4.129 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C(C)(F)F)c2)CCO1 ZINC001359569171 1069927695 /nfs/dbraw/zinc/92/76/95/1069927695.db2.gz BOKXDTHSXGOPQC-LJQANCHMSA-N 0 0 493.599 4.466 20 0 JIADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001359569644 1069931031 /nfs/dbraw/zinc/93/10/31/1069931031.db2.gz LZLHONHRAJDJQP-DQVLVPHSSA-N 0 0 491.677 4.259 20 0 JIADRN CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001359571097 1069938834 /nfs/dbraw/zinc/93/88/34/1069938834.db2.gz VQRVDBCGADYUET-OAQYLSRUSA-N 0 0 454.619 4.338 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001359571898 1069945979 /nfs/dbraw/zinc/94/59/79/1069945979.db2.gz XFZHXQRYPDNLGC-HXUWFJFHSA-N 0 0 453.543 4.031 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001359571651 1069945263 /nfs/dbraw/zinc/94/52/63/1069945263.db2.gz ONQSEDDBEGGTMM-QGZVFWFLSA-N 0 0 493.555 4.113 20 0 JIADRN CC(C)(C)OC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001359572493 1069950649 /nfs/dbraw/zinc/95/06/49/1069950649.db2.gz OVHBHXQDGMBGFQ-JOCHJYFZSA-N 0 0 478.597 4.226 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001359573067 1069953778 /nfs/dbraw/zinc/95/37/78/1069953778.db2.gz IEGOZCPMAFFMGO-MJGOQNOKSA-N 0 0 493.555 4.077 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(C2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001359574275 1069959224 /nfs/dbraw/zinc/95/92/24/1069959224.db2.gz SWMZGKMIYOZFOJ-INIZCTEOSA-N 0 0 461.529 4.008 20 0 JIADRN CC(C)(C)OC(=O)NCCn1c(-c2ccccn2)nnc1N1Cc2cccc(Br)c2C1 ZINC001359573494 1069956129 /nfs/dbraw/zinc/95/61/29/1069956129.db2.gz WODZHTINYVFNOA-UHFFFAOYSA-N 0 0 485.386 4.148 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(Cl)cc2)C1 ZINC001359575053 1069963374 /nfs/dbraw/zinc/96/33/74/1069963374.db2.gz UQHWWKZVDFNSRY-GOSISDBHSA-N 0 0 456.978 4.468 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2Cl)C1 ZINC001359575319 1069965290 /nfs/dbraw/zinc/96/52/90/1069965290.db2.gz FFTHJXJROFGDFL-RBUKOAKNSA-N 0 0 476.021 4.172 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCc2ccccc2)C1 ZINC001359574630 1069961382 /nfs/dbraw/zinc/96/13/82/1069961382.db2.gz DXSRKEAUBZUJEV-OAQYLSRUSA-N 0 0 478.597 4.050 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2Cc2nccs2)C1 ZINC001359574693 1069961439 /nfs/dbraw/zinc/96/14/39/1069961439.db2.gz GYVVVYRCIJKYAY-OAHLLOKOSA-N 0 0 458.563 4.083 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO2)C1 ZINC001359575594 1069969524 /nfs/dbraw/zinc/96/95/24/1069969524.db2.gz ORKUAIPQTIUUBI-YADHBBJMSA-N 0 0 469.630 4.126 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[C@@](C)(O)c2ccccc2)C1 ZINC001359575721 1069970416 /nfs/dbraw/zinc/97/04/16/1069970416.db2.gz UFNWTZWRNXONCR-VHFRWLAGSA-N 0 0 499.656 4.311 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC=CO2)C1 ZINC001359575747 1069970878 /nfs/dbraw/zinc/97/08/78/1069970878.db2.gz VDVASMBCMAWTIX-UXHICEINSA-N 0 0 471.577 4.194 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNc2ccccn2)C1 ZINC001359575873 1069971993 /nfs/dbraw/zinc/97/19/93/1069971993.db2.gz BIPZKJQZHAHIQR-OAQYLSRUSA-N 0 0 495.603 4.009 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC001359576050 1069973035 /nfs/dbraw/zinc/97/30/35/1069973035.db2.gz KYRZPNUFSLMSAS-SFHLNBCPSA-N 0 0 461.651 4.175 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001359576051 1069973349 /nfs/dbraw/zinc/97/33/49/1069973349.db2.gz KYRZPNUFSLMSAS-ZVDOUQERSA-N 0 0 461.651 4.175 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCC(F)(F)C2)C1 ZINC001359576153 1069974684 /nfs/dbraw/zinc/97/46/84/1069974684.db2.gz OXVJEGKAGIKOGB-IAGOWNOFSA-N 0 0 477.560 4.054 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(F)ccc2F)C1 ZINC001359576919 1069980054 /nfs/dbraw/zinc/98/00/54/1069980054.db2.gz AJDZUCXJWYGAQJ-IBGZPJMESA-N 0 0 461.557 4.441 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(Cl)s2)C1 ZINC001359577148 1069982073 /nfs/dbraw/zinc/98/20/73/1069982073.db2.gz KNGXPMQCCOQYMV-GOEBONIOSA-N 0 0 468.023 4.386 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)C1 ZINC001359577142 1069982108 /nfs/dbraw/zinc/98/21/08/1069982108.db2.gz KDKDZPFNSJJAMV-FQEVSTJZSA-N 0 0 476.021 4.052 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2CCOCC2)C1 ZINC001359577269 1069983034 /nfs/dbraw/zinc/98/30/34/1069983034.db2.gz PGDCJBJXBQKOGU-MAEOIBBWSA-N 0 0 485.551 4.174 20 0 JIADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N(CCCCO)C3CC3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001359577321 1069983057 /nfs/dbraw/zinc/98/30/57/1069983057.db2.gz QTSVOAVZTSFLJL-OKZBNKHCSA-N 0 0 483.604 4.226 20 0 JIADRN CC(C)(C)Oc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)cn1 ZINC001359578830 1069992048 /nfs/dbraw/zinc/99/20/48/1069992048.db2.gz UQBPBDPNRZKSMG-IBGZPJMESA-N 0 0 493.505 4.396 20 0 JIADRN CC(C)(C)OC1CC(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C1 ZINC001359579311 1069994625 /nfs/dbraw/zinc/99/46/25/1069994625.db2.gz HSVUSBHVIKTSOE-UHFFFAOYSA-N 0 0 481.062 4.063 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001359581102 1070003249 /nfs/dbraw/zinc/00/32/49/1070003249.db2.gz SLAZEKUAJWMZBH-GOSISDBHSA-N 0 0 489.546 4.099 20 0 JIADRN CC(C)(C)O[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001359581438 1070003806 /nfs/dbraw/zinc/00/38/06/1070003806.db2.gz ZLXULYZOSPUAGQ-GOSISDBHSA-N 0 0 457.648 4.109 20 0 JIADRN CC(C)(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001359582920 1070008857 /nfs/dbraw/zinc/00/88/57/1070008857.db2.gz YSTRPHUNTMSIEJ-SFHVURJKSA-N 0 0 496.624 4.124 20 0 JIADRN CC(C)(C)OCc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](C(F)F)C2)no1 ZINC001359583555 1070010715 /nfs/dbraw/zinc/01/07/15/1070010715.db2.gz VUICKFYOAAMLFV-HZPDHXFCSA-N 0 0 453.534 4.005 20 0 JIADRN CC(C)(C)OCc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](C(F)F)C2)no1 ZINC001359583553 1070010845 /nfs/dbraw/zinc/01/08/45/1070010845.db2.gz VUICKFYOAAMLFV-CVEARBPZSA-N 0 0 453.534 4.005 20 0 JIADRN CC(C)(C)OCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(CO)CC1 ZINC001359584204 1070012838 /nfs/dbraw/zinc/01/28/38/1070012838.db2.gz TYBOXGFOKPQSGI-UHFFFAOYSA-N 0 0 454.571 4.141 20 0 JIADRN CC(C)(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)C1 ZINC001359584657 1070013227 /nfs/dbraw/zinc/01/32/27/1070013227.db2.gz GDTUEOBTJBYNOX-INIZCTEOSA-N 0 0 457.566 4.053 20 0 JIADRN CC(C)(C)OCCn1c(-c2ccc(F)cc2Br)nnc1N(CCCCO)C1CC1 ZINC001359584372 1070013425 /nfs/dbraw/zinc/01/34/25/1070013425.db2.gz YWEBMLWXOJJNNM-UHFFFAOYSA-N 0 0 469.399 4.403 20 0 JIADRN CC(C)(C)OCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001359585460 1070014674 /nfs/dbraw/zinc/01/46/74/1070014674.db2.gz BFQFEICMOKENHG-OAQYLSRUSA-N 0 0 473.980 4.449 20 0 JIADRN CC(C)(C)OCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359585491 1070014949 /nfs/dbraw/zinc/01/49/49/1070014949.db2.gz CNFKIOFFJPJXBQ-IBGZPJMESA-N 0 0 484.670 4.411 20 0 JIADRN CC(C)(C)OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001359585293 1070014967 /nfs/dbraw/zinc/01/49/67/1070014967.db2.gz XLHHNWFSIUVUIK-WOJBJXKFSA-N 0 0 491.677 4.213 20 0 JIADRN CC(C)(C)OCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359586048 1070017430 /nfs/dbraw/zinc/01/74/30/1070017430.db2.gz XTLKFZRYIVWXCC-GOSISDBHSA-N 0 0 491.608 4.162 20 0 JIADRN CC(C)(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N(CCc1cccc(F)c1)C1CC1 ZINC001359587071 1070020399 /nfs/dbraw/zinc/02/03/99/1070020399.db2.gz GKNXMCFPKZEKTQ-UHFFFAOYSA-N 0 0 462.635 4.500 20 0 JIADRN CC(C)(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001359587550 1070021124 /nfs/dbraw/zinc/02/11/24/1070021124.db2.gz VDMZNVBRISFZOT-OAQYLSRUSA-N 0 0 495.089 4.362 20 0 JIADRN CC(C)(C)O[C@@H]1C[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C1(C)C ZINC001359586418 1070017974 /nfs/dbraw/zinc/01/79/74/1070017974.db2.gz LLHKYKCUUXRSQF-IFMALSPDSA-N 0 0 485.648 4.330 20 0 JIADRN CC(C)(C)O[C@@H]1C[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC001359586572 1070018976 /nfs/dbraw/zinc/01/89/76/1070018976.db2.gz QBBANOUUQVCVGW-SFHLNBCPSA-N 0 0 488.076 4.454 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)CC1 ZINC001359588349 1070023585 /nfs/dbraw/zinc/02/35/85/1070023585.db2.gz PTPIMZFJLHHWQN-XIFFEERXSA-N 0 0 491.036 4.006 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001359588761 1070024637 /nfs/dbraw/zinc/02/46/37/1070024637.db2.gz YVGJCOSFNJNNHE-KKIUXKEOSA-N 0 0 465.063 4.399 20 0 JIADRN CC(C)(C)[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001359589227 1070025815 /nfs/dbraw/zinc/02/58/15/1070025815.db2.gz HPZGPMQKGVUAHP-PSTIOWGYSA-N 0 0 480.009 4.191 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001359590810 1070029187 /nfs/dbraw/zinc/02/91/87/1070029187.db2.gz KULRUGHBEDYJND-FPYOTAMTSA-N 0 0 488.057 4.122 20 0 JIADRN CC(C)(C)[S@@](=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001359590922 1070029788 /nfs/dbraw/zinc/02/97/88/1070029788.db2.gz MYTJNRGRKTVQTL-RQZFFVEVSA-N 0 0 469.026 4.148 20 0 JIADRN 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CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCCc1ccccc1 ZINC001359592484 1070034249 /nfs/dbraw/zinc/03/42/49/1070034249.db2.gz HICRQEGPZLADIT-YTFSRNRJSA-N 0 0 488.698 4.233 20 0 JIADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CCCCCO ZINC001359592719 1070035256 /nfs/dbraw/zinc/03/52/56/1070035256.db2.gz PPSUJDWXWSUMOB-YTFSRNRJSA-N 0 0 456.631 4.407 20 0 JIADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCOCC(F)F ZINC001359592754 1070035376 /nfs/dbraw/zinc/03/53/76/1070035376.db2.gz QXENPAZHSORZBX-IIAWOOMASA-N 0 0 454.484 4.257 20 0 JIADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCCCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001359592739 1070035416 /nfs/dbraw/zinc/03/54/16/1070035416.db2.gz QMRWBQONCZFSGU-FGZHOGPDSA-N 0 0 474.671 4.170 20 0 JIADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCc1ccccc1Cl ZINC001359592910 1070035780 /nfs/dbraw/zinc/03/57/80/1070035780.db2.gz VMWKMCLJGYYGDJ-SFHLNBCPSA-N 0 0 495.089 4.106 20 0 JIADRN 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COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c(OC)c1 ZINC001315472252 1064311566 /nfs/dbraw/zinc/31/15/66/1064311566.db2.gz DTQRPONYBLCJMJ-SFHVURJKSA-N 0 0 498.628 4.430 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCOC2CCCCCC2)cc1C ZINC001315472587 1064312935 /nfs/dbraw/zinc/31/29/35/1064312935.db2.gz MMXJKLZHBBSSJP-UHFFFAOYSA-N 0 0 452.603 4.371 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@](C)(O)C2CCCCC2)cc1F ZINC001315473544 1064315960 /nfs/dbraw/zinc/31/59/60/1064315960.db2.gz KCTNNKFVDUBLIG-VWLOTQADSA-N 0 0 453.562 4.456 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)C2CC2)cc1O ZINC001315474221 1064318607 /nfs/dbraw/zinc/31/86/07/1064318607.db2.gz NMLIIDYAIOCYRU-OAQYLSRUSA-N 0 0 493.427 4.281 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC2(O)CCCCCC2)c(OC)c1 ZINC001315474679 1064318877 /nfs/dbraw/zinc/31/88/77/1064318877.db2.gz MFONFAPIRKVXKV-UHFFFAOYSA-N 0 0 451.571 4.079 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCCCCC2=O)cc1C ZINC001315474524 1064320540 /nfs/dbraw/zinc/32/05/40/1064320540.db2.gz IODUMYCLJRNCOA-HSZRJFAPSA-N 0 0 469.630 4.266 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cccn3C)n2Cc2nc(C(C)(C)C)cs2)cc1O ZINC001315474693 1064321465 /nfs/dbraw/zinc/32/14/65/1064321465.db2.gz MKPAPENPCIGNRD-UHFFFAOYSA-N 0 0 466.611 4.437 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@@H]2C)cc1OC(F)F ZINC001315474964 1064322761 /nfs/dbraw/zinc/32/27/61/1064322761.db2.gz LDINCMFLYKRGFZ-RYQLBKOJSA-N 0 0 450.530 4.465 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@@H](F)C2)cc1OC(F)F ZINC001315475595 1064325175 /nfs/dbraw/zinc/32/51/75/1064325175.db2.gz WOGBUVAKTBPMBE-GDBMZVCRSA-N 0 0 462.476 4.120 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1C ZINC001315475997 1064325855 /nfs/dbraw/zinc/32/58/55/1064325855.db2.gz FNYYXHVQLHVGJD-JOCHJYFZSA-N 0 0 485.629 4.340 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC2(C(C)C)CC2)cc1OC(F)F ZINC001315475878 1064325935 /nfs/dbraw/zinc/32/59/35/1064325935.db2.gz OYWVHUSDVHUECD-KRWDZBQOSA-N 0 0 450.530 4.465 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCC(F)F)cc1 ZINC001315476787 1064328061 /nfs/dbraw/zinc/32/80/61/1064328061.db2.gz HOXYVOUSWBIKAG-HXUWFJFHSA-N 0 0 473.524 4.252 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccsc2)cc1OC ZINC001315477556 1064331198 /nfs/dbraw/zinc/33/11/98/1064331198.db2.gz NAHBLAYSNCFBJN-YKSBVNFPSA-N 0 0 472.611 4.143 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)cc1O ZINC001315477586 1064331315 /nfs/dbraw/zinc/33/13/15/1064331315.db2.gz NIDHRWXMLYSPEO-WIOPSUGQSA-N 0 0 458.603 4.202 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2CCCCC2)cc1OC(F)F ZINC001315478247 1064333274 /nfs/dbraw/zinc/33/32/74/1064333274.db2.gz NGVGOSBWSIMJQG-QGZVFWFLSA-N 0 0 463.529 4.056 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[C@H]2CCO[C@H](C)C2)c(OC)c1 ZINC001315479121 1064334764 /nfs/dbraw/zinc/33/47/64/1064334764.db2.gz CHUZGSQZCMQULN-MJGOQNOKSA-N 0 0 485.654 4.493 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2OCCC2(C)C)cc1OC(F)F ZINC001315479298 1064335395 /nfs/dbraw/zinc/33/53/95/1064335395.db2.gz CGRHCKDJUOMFBH-NRFANRHFSA-N 0 0 487.551 4.325 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)c2ncc(C)s2)c(OC)c1 ZINC001315479444 1064337096 /nfs/dbraw/zinc/33/70/96/1064337096.db2.gz DQUBRUUOJLIYNO-QGZVFWFLSA-N 0 0 478.622 4.486 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001315480549 1064340162 /nfs/dbraw/zinc/34/01/62/1064340162.db2.gz WIRFYIYKLQUQTC-IBGZPJMESA-N 0 0 480.613 4.164 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C(F)(F)F)c1 ZINC001315482573 1064345728 /nfs/dbraw/zinc/34/57/28/1064345728.db2.gz OFHULJJYGNPTEB-OAHLLOKOSA-N 0 0 467.536 4.364 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cscc2C)c(OC)c1 ZINC001315483117 1064348044 /nfs/dbraw/zinc/34/80/44/1064348044.db2.gz KDJSBTXCHPGLHJ-UHFFFAOYSA-N 0 0 497.646 4.341 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2cc(C(F)(F)F)ccn2)cc1 ZINC001315483676 1064349657 /nfs/dbraw/zinc/34/96/57/1064349657.db2.gz RQAVGVUTBNFZIG-UHFFFAOYSA-N 0 0 499.541 4.441 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@H]2C(C)C)c(OC)c1 ZINC001315483767 1064350539 /nfs/dbraw/zinc/35/05/39/1064350539.db2.gz VNEZUTHSAOKGCG-RBUKOAKNSA-N 0 0 469.611 4.140 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[C@@H]2C)c(OC)c1 ZINC001315483843 1064350562 /nfs/dbraw/zinc/35/05/62/1064350562.db2.gz QUNPLLMRBNMNNR-PKOBYXMFSA-N 0 0 454.571 4.299 20 0 JIADRN COc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@H](CC(C)C)C2)cn1 ZINC001315483948 1064351225 /nfs/dbraw/zinc/35/12/25/1064351225.db2.gz BTAWCANQQITLAH-LJQANCHMSA-N 0 0 483.016 4.186 20 0 JIADRN COc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cn1 ZINC001315484485 1064352546 /nfs/dbraw/zinc/35/25/46/1064352546.db2.gz LEENFZTVPLCIBN-HHHXNRCGSA-N 0 0 492.624 4.241 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)c3ccc(C)s3)CC2)cc1Cl ZINC001315484983 1064353271 /nfs/dbraw/zinc/35/32/71/1064353271.db2.gz DBMRILHOZZXWLY-UHFFFAOYSA-N 0 0 474.030 4.444 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(OC)n1 ZINC001315485100 1064354086 /nfs/dbraw/zinc/35/40/86/1064354086.db2.gz HETPJEHEOKJTDG-GOSISDBHSA-N 0 0 467.545 4.100 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(C(F)(F)F)c1 ZINC001315485457 1064354523 /nfs/dbraw/zinc/35/45/23/1064354523.db2.gz QAZYONHBKZIXSS-WCJKSRRJSA-N 0 0 468.520 4.250 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC(C(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC001315485689 1064355436 /nfs/dbraw/zinc/35/54/36/1064355436.db2.gz VBOWCLWIFCYPTD-UHFFFAOYSA-N 0 0 479.547 4.316 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@@H](C)C2)c(OC)n1 ZINC001315486596 1064358340 /nfs/dbraw/zinc/35/83/40/1064358340.db2.gz AENGAGSWLUXIJO-HZPDHXFCSA-N 0 0 457.962 4.378 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC001315487047 1064360593 /nfs/dbraw/zinc/36/05/93/1064360593.db2.gz MOXQBQBUZYNBNQ-BETUJISGSA-N 0 0 479.400 4.145 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCCCO2)cc1F ZINC001315487932 1064363331 /nfs/dbraw/zinc/36/33/31/1064363331.db2.gz MBHPQLBUMIQSIO-INIZCTEOSA-N 0 0 478.366 4.237 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@](C)(OC)C2)cc1F ZINC001315488113 1064364441 /nfs/dbraw/zinc/36/44/41/1064364441.db2.gz ONVUCYNHBHGSMS-QFIPXVFZSA-N 0 0 492.393 4.247 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCc2nccs2)cn1 ZINC001315488631 1064366617 /nfs/dbraw/zinc/36/66/17/1064366617.db2.gz QZIUYCYDHJYQFR-UHFFFAOYSA-N 0 0 472.521 4.134 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H]2CCSC2)cn1 ZINC001315489048 1064367269 /nfs/dbraw/zinc/36/72/69/1064367269.db2.gz JKLYMYFTPZHHMO-AZUAARDMSA-N 0 0 453.612 4.429 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CCc2cccs2)c(OC)c1OC ZINC001315488901 1064367410 /nfs/dbraw/zinc/36/74/10/1064367410.db2.gz XUEDMQQLKUJTLC-UHFFFAOYSA-N 0 0 467.595 4.098 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(OC)n1 ZINC001315489404 1064369571 /nfs/dbraw/zinc/36/95/71/1064369571.db2.gz YKWMDAKLFYNOJW-SUMWQHHRSA-N 0 0 497.905 4.215 20 0 JIADRN COc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001315489364 1064369624 /nfs/dbraw/zinc/36/96/24/1064369624.db2.gz XZTIQWXXHGPAHP-PXAZEXFGSA-N 0 0 464.314 4.093 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)OC(C)(C)C2)c(OC)n1 ZINC001315489437 1064369742 /nfs/dbraw/zinc/36/97/42/1064369742.db2.gz LTTNBUPMXUCNPT-IRXDYDNUSA-N 0 0 485.560 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CCC(F)(F)F)cn1 ZINC001315490080 1064371800 /nfs/dbraw/zinc/37/18/00/1064371800.db2.gz XKOJAMMKLAWGDQ-UHFFFAOYSA-N 0 0 455.868 4.448 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(F)c1 ZINC001315490085 1064372002 /nfs/dbraw/zinc/37/20/02/1064372002.db2.gz XPOPBAAXHHYCJB-IBGZPJMESA-N 0 0 459.953 4.441 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)cn1 ZINC001315490500 1064373284 /nfs/dbraw/zinc/37/32/84/1064373284.db2.gz SYIBINWLCHKDIT-IEBWSBKVSA-N 0 0 471.989 4.386 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)c(OC)n1 ZINC001315491714 1064376537 /nfs/dbraw/zinc/37/65/37/1064376537.db2.gz UOVHYBZDBQFMSM-UHFFFAOYSA-N 0 0 477.544 4.095 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2cccc(O)c2)c(OC)n1 ZINC001315491896 1064377284 /nfs/dbraw/zinc/37/72/84/1064377284.db2.gz UVPHVAUJTPCGOJ-KRWDZBQOSA-N 0 0 460.538 4.012 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cscn2)cn1 ZINC001315492213 1064378036 /nfs/dbraw/zinc/37/80/36/1064378036.db2.gz ZKUJCPRVRLRFBD-OAHLLOKOSA-N 0 0 454.531 4.102 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC001315493943 1064381516 /nfs/dbraw/zinc/38/15/16/1064381516.db2.gz 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1Cc1sccc1C ZINC001316275353 1066026829 /nfs/dbraw/zinc/02/68/29/1066026829.db2.gz ZLULSZMIQHUMAV-UGKGYDQZSA-N 0 0 456.612 4.374 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(Br)c2)n1C[C@@H]1CCC=CO1 ZINC001316275822 1066027998 /nfs/dbraw/zinc/02/79/98/1066027998.db2.gz WYXYFNTZEVKJDY-IHPCNDPISA-N 0 0 477.403 4.094 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1c(F)cccc1Cl ZINC001316277524 1066030642 /nfs/dbraw/zinc/03/06/42/1066030642.db2.gz VUHFCTISMHJWRQ-KSSFIOAISA-N 0 0 458.912 4.324 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(F)F)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001316278043 1066031433 /nfs/dbraw/zinc/03/14/33/1066031433.db2.gz OQTIJZVLVXOZPG-KSSFIOAISA-N 0 0 478.462 4.169 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccco2)C(C)C)n1Cc1cccc(N(C)C)c1 ZINC001316278893 1066032233 /nfs/dbraw/zinc/03/22/33/1066032233.db2.gz DDTNZPOMRNTIER-REWPJTCUSA-N 0 0 453.587 4.124 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC[C@@H](C)c1ccc(OC)cc1 ZINC001316279968 1066034019 /nfs/dbraw/zinc/03/40/19/1066034019.db2.gz FTWCYCDKUFHHDO-SQVLJLFZSA-N 0 0 472.630 4.208 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2cccc(F)c2)C(C)C)n1CCc1c(C)noc1C ZINC001316280340 1066034537 /nfs/dbraw/zinc/03/45/37/1066034537.db2.gz NZBFQCGZMIXEKO-REWPJTCUSA-N 0 0 471.577 4.404 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1CCOC(C)C ZINC001316280898 1066035034 /nfs/dbraw/zinc/03/50/34/1066035034.db2.gz KDEYHICLNXIHSE-FIKGOQFSSA-N 0 0 493.446 4.313 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCOC1CCCCCC1 ZINC001316281031 1066035427 /nfs/dbraw/zinc/03/54/27/1066035427.db2.gz LVEUKSZLBARVHU-BNDYYXHWSA-N 0 0 452.665 4.072 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001316282211 1066036557 /nfs/dbraw/zinc/03/65/57/1066036557.db2.gz MNZNBXSYMNXHPS-IIZPIQPGSA-N 0 0 470.662 4.347 20 0 JIADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001316285597 1066042468 /nfs/dbraw/zinc/04/24/68/1066042468.db2.gz MLQCAPLYDSKHEG-NZGUISNBSA-N 0 0 477.447 4.490 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](c3ccccc3)C2)n1C[C@](C)(O)CCC(C)C ZINC001316286485 1066043811 /nfs/dbraw/zinc/04/38/11/1066043811.db2.gz FHQFEZDVTXZHCI-TUGCOKMYSA-N 0 0 456.631 4.183 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001316287063 1066044058 /nfs/dbraw/zinc/04/40/58/1066044058.db2.gz KEPDKGQFQAJBFL-JBACZVJFSA-N 0 0 498.546 4.059 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)C)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001316287243 1066044640 /nfs/dbraw/zinc/04/46/40/1066044640.db2.gz SQCFUQCZQXXYFH-RXVVDRJESA-N 0 0 491.702 4.393 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCSCC(F)(F)F ZINC001316287394 1066045044 /nfs/dbraw/zinc/04/50/44/1066045044.db2.gz NJCAEVLCIUURKO-GJZGRUSLSA-N 0 0 490.514 4.466 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)C(C)C ZINC001316287511 1066045135 /nfs/dbraw/zinc/04/51/35/1066045135.db2.gz BQLPIOBYVYTUHH-PMVMPFDFSA-N 0 0 478.678 4.239 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1(C(C)C)CC1 ZINC001316288090 1066046186 /nfs/dbraw/zinc/04/61/86/1066046186.db2.gz VIMIHDSRZJZPQT-HKBOAZHASA-N 0 0 491.677 4.132 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3ccccc3[C@H]2C)n1C[C@](C)(O)CCC(C)C ZINC001316288641 1066047111 /nfs/dbraw/zinc/04/71/11/1066047111.db2.gz UAWLTPCHQPFLBD-HMMJVGNDSA-N 0 0 456.631 4.313 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3ccccc3[C@H]2C)n1CCCN(C)CC(F)(F)F ZINC001316288665 1066047191 /nfs/dbraw/zinc/04/71/91/1066047191.db2.gz USVDUXNURFLKQB-LMNJBCLMSA-N 0 0 481.563 4.010 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001316290888 1066050569 /nfs/dbraw/zinc/05/05/69/1066050569.db2.gz PRJLTQHFLZGDMO-DGCVBNHASA-N 0 0 499.553 4.065 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ccc(OC)c(Cl)c1 ZINC001316291293 1066052056 /nfs/dbraw/zinc/05/20/56/1066052056.db2.gz RJNJVHXXYQLRNM-GJYPPUQNSA-N 0 0 470.948 4.194 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCCC(F)(F)F ZINC001316291925 1066053089 /nfs/dbraw/zinc/05/30/89/1066053089.db2.gz IJBVUWODNHCMQC-ULQDDVLXSA-N 0 0 486.539 4.235 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001316292358 1066053342 /nfs/dbraw/zinc/05/33/42/1066053342.db2.gz ONXGZFXNXPIYON-UXPWSPDFSA-N 0 0 468.520 4.118 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001316292639 1066054284 /nfs/dbraw/zinc/05/42/84/1066054284.db2.gz ZNZTYIFYXRCTTR-BNDYYXHWSA-N 0 0 464.557 4.260 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CCCC(C)(C)C ZINC001316293114 1066054555 /nfs/dbraw/zinc/05/45/55/1066054555.db2.gz GRUDBMSNSCRQTO-GMAHTHKFSA-N 0 0 455.647 4.463 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](SC)C2)n1CCc1sc(C)nc1C ZINC001316293618 1066055169 /nfs/dbraw/zinc/05/51/69/1066055169.db2.gz WNDPRCDCSGPAGC-BJLQDIEVSA-N 0 0 465.689 4.040 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2CSC)n1Cc1ccc(F)c(Cl)c1 ZINC001316294126 1066055538 /nfs/dbraw/zinc/05/55/38/1066055538.db2.gz YSIIOECTCPLTRE-BXWFABGCSA-N 0 0 454.999 4.175 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H]1CCSC1(C)C ZINC001316294268 1066055832 /nfs/dbraw/zinc/05/58/32/1066055832.db2.gz ZHMZPWURICFEDQ-OKYOBFRVSA-N 0 0 454.706 4.256 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCOc1cccc(C)c1 ZINC001316296878 1066057254 /nfs/dbraw/zinc/05/72/54/1066057254.db2.gz CTDLPKALLJIWQN-WDZJFXIESA-N 0 0 472.630 4.031 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCc1ccc(Cl)s1 ZINC001316297161 1066057748 /nfs/dbraw/zinc/05/77/48/1066057748.db2.gz GYVQPWDFZUZFEK-IEZWGBDMSA-N 0 0 469.051 4.211 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](OC)c1ccc(F)cc1 ZINC001316297835 1066058221 /nfs/dbraw/zinc/05/82/21/1066058221.db2.gz PTELTBXYAZDTIF-IYCJUYGXSA-N 0 0 490.620 4.170 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001316297764 1066058423 /nfs/dbraw/zinc/05/84/23/1066058423.db2.gz NPCHLEMNPQHZPB-FQKWEETJSA-N 0 0 486.657 4.419 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(OCC(C)C)cc1 ZINC001316297769 1066058484 /nfs/dbraw/zinc/05/84/84/1066058484.db2.gz NVHXSFLYNYEBRD-RRPUWOKSSA-N 0 0 472.630 4.089 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCOc1ccccc1C(C)C ZINC001316298046 1066058680 /nfs/dbraw/zinc/05/86/80/1066058680.db2.gz SMZFOLQOTSVPPJ-QTEQDKRBSA-N 0 0 472.630 4.208 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCCC(F)(F)F ZINC001316299731 1066059541 /nfs/dbraw/zinc/05/95/41/1066059541.db2.gz YAUFTRPEQBDNNE-WDSOQIARSA-N 0 0 472.483 4.062 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(-c4cc(OC)cc(OC)c4)n3CC(C)(C)C(F)(F)F)CC[C@H]12 ZINC001316300345 1066060497 /nfs/dbraw/zinc/06/04/97/1066060497.db2.gz AECJKUTUFBXTIB-IPMKNSEASA-N 0 0 468.520 4.270 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC(C)(C)C2)n1CCOc1ccccc1Cl ZINC001316300401 1066060511 /nfs/dbraw/zinc/06/05/11/1066060511.db2.gz JGNXEANKOYKXQO-LPHOPBHVSA-N 0 0 467.035 4.066 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(-c4cccc(OC(F)F)c4)n3C[C@@H](OC)C(C)(C)C)CC[C@H]12 ZINC001316300337 1066060555 /nfs/dbraw/zinc/06/05/55/1066060555.db2.gz ACVMIOKTMLFYKZ-MTQWCTHYSA-N 0 0 464.557 4.326 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(-c4ccc(F)cc4Br)n3C[C@@H](C)SC)CC[C@H]12 ZINC001316303093 1066063223 /nfs/dbraw/zinc/06/32/23/1066063223.db2.gz XWVQBZAWJURDLP-JWZBEHFJSA-N 0 0 469.424 4.317 20 0 JIADRN CON(C)c1nnc(-c2cccc(Br)c2)n1Cc1cc(COC(C)(C)C)on1 ZINC001316302886 1066063381 /nfs/dbraw/zinc/06/33/81/1066063381.db2.gz SMEMYMIBYNRMCE-UHFFFAOYSA-N 0 0 450.337 4.057 20 0 JIADRN 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ABXLDNTVAXFVHA-UHFFFAOYSA-N 0 0 499.084 4.413 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001492510856 1066342171 /nfs/dbraw/zinc/34/21/71/1066342171.db2.gz FPWVZRVCZXGZDT-HXUWFJFHSA-N 0 0 472.634 4.157 20 0 JIADRN CSCCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001316455028 1066342394 /nfs/dbraw/zinc/34/23/94/1066342394.db2.gz DLQXSRQHZQIAIG-QUCCMNQESA-N 0 0 462.063 4.018 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001492510874 1066342994 /nfs/dbraw/zinc/34/29/94/1066342994.db2.gz GAGSFQLXZQTOEN-DEOSSOPVSA-N 0 0 489.542 4.492 20 0 JIADRN CSCCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001316455444 1066343478 /nfs/dbraw/zinc/34/34/78/1066343478.db2.gz HJFQGXYNLYDGOI-QHCPKHFHSA-N 0 0 475.659 4.404 20 0 JIADRN CSCCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001316455598 1066344064 /nfs/dbraw/zinc/34/40/64/1066344064.db2.gz ZUHIOQYTNUAAHC-UHFFFAOYSA-N 0 0 468.675 4.355 20 0 JIADRN COc1cc(OC)c(C2CCN(C(=O)NCCOc3ccc4c(c3)CCC4)CC2)c(OC)c1 ZINC001329947379 1066344363 /nfs/dbraw/zinc/34/43/63/1066344363.db2.gz FDDZRWXWXDXEOR-UHFFFAOYSA-N 0 0 454.567 4.169 20 0 JIADRN CSCCCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001316455873 1066344313 /nfs/dbraw/zinc/34/43/13/1066344313.db2.gz YTPHSYDGCBVMFW-UHFFFAOYSA-N 0 0 458.676 4.267 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(CO)(Cc4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492511591 1066345546 /nfs/dbraw/zinc/34/55/46/1066345546.db2.gz CZVOHSBWEFXJGD-DHUJRADRSA-N 0 0 495.693 4.017 20 0 JIADRN CSCCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1 ZINC001316456703 1066346144 /nfs/dbraw/zinc/34/61/44/1066346144.db2.gz BHHHCVKRPLQCOC-MOPGFXCFSA-N 0 0 467.680 4.151 20 0 JIADRN CSCCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001316457402 1066347584 /nfs/dbraw/zinc/34/75/84/1066347584.db2.gz BDEHZNVSGKTQFW-UHFFFAOYSA-N 0 0 471.671 4.114 20 0 JIADRN CSCCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001316458057 1066348553 /nfs/dbraw/zinc/34/85/53/1066348553.db2.gz WWDPDTZMVVLACK-RBUKOAKNSA-N 0 0 467.680 4.151 20 0 JIADRN CSCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001316459299 1066351953 /nfs/dbraw/zinc/35/19/53/1066351953.db2.gz JAYDRNSIWYIMFN-WOJBJXKFSA-N 0 0 478.062 4.153 20 0 JIADRN CSCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001316459736 1066352802 /nfs/dbraw/zinc/35/28/02/1066352802.db2.gz NSZIVCQLENOYGP-QZTJIDSGSA-N 0 0 484.663 4.104 20 0 JIADRN CSCCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001316459568 1066352955 /nfs/dbraw/zinc/35/29/55/1066352955.db2.gz XBBOQKCKHYUXGL-UHFFFAOYSA-N 0 0 489.640 4.278 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2)n1 ZINC001492513771 1066353942 /nfs/dbraw/zinc/35/39/42/1066353942.db2.gz FRRFCEWUZVMOBN-RTWAWAEBSA-N 0 0 476.625 4.247 20 0 JIADRN CSCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001316460118 1066354318 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RNZGYEYLUFDTLY-JLPGSUDCSA-N 0 0 486.597 4.249 20 0 JIADRN CSCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001316462116 1066359135 /nfs/dbraw/zinc/35/91/35/1066359135.db2.gz LNRFHJBSCLDXPD-UHFFFAOYSA-N 0 0 496.504 4.420 20 0 JIADRN CSCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001316462441 1066359650 /nfs/dbraw/zinc/35/96/50/1066359650.db2.gz ZLNFOCKTRBGOKC-RBUKOAKNSA-N 0 0 499.747 4.308 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H]3Cc3cccs3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001492515368 1066360115 /nfs/dbraw/zinc/36/01/15/1066360115.db2.gz AKJWKWUEPQDDKI-SFHVURJKSA-N 0 0 468.627 4.446 20 0 JIADRN CSCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001316462808 1066360285 /nfs/dbraw/zinc/36/02/85/1066360285.db2.gz PBRDKFAGEAMFRC-UHFFFAOYSA-N 0 0 499.512 4.042 20 0 JIADRN CSCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001316462811 1066360352 /nfs/dbraw/zinc/36/03/52/1066360352.db2.gz NJCRUEVQGNSOTM-UHFFFAOYSA-N 0 0 459.641 4.185 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCO[C@@H](C)C3)n2Cc2cccc(COCC(F)(F)F)c2)n1 ZINC001492515627 1066360544 /nfs/dbraw/zinc/36/05/44/1066360544.db2.gz GMRIWKPVXXSAEK-SFHVURJKSA-N 0 0 475.515 4.391 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCO[C@H]2C(C)C)n1 ZINC001492515458 1066360921 /nfs/dbraw/zinc/36/09/21/1066360921.db2.gz DBPLFGVULDUZMB-VWPQPMDRSA-N 0 0 484.645 4.203 20 0 JIADRN COc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001475373650 1066361167 /nfs/dbraw/zinc/36/11/67/1066361167.db2.gz QUANCTZPGFYMPH-SJLPKXTDSA-N 0 0 456.580 4.025 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCN(C)c2ccccc2F)n1 ZINC001492515681 1066361597 /nfs/dbraw/zinc/36/15/97/1066361597.db2.gz DTRBONUYJANEJL-UHFFFAOYSA-N 0 0 493.631 4.009 20 0 JIADRN CSCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001316463351 1066361372 /nfs/dbraw/zinc/36/13/72/1066361372.db2.gz SABXBJYTNKTOSG-QGZVFWFLSA-N 0 0 480.704 4.271 20 0 JIADRN CSCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001316463633 1066361477 /nfs/dbraw/zinc/36/14/77/1066361477.db2.gz WLYQJMFSAVGPMW-UHFFFAOYSA-N 0 0 479.597 4.281 20 0 JIADRN CSCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001316463349 1066361528 /nfs/dbraw/zinc/36/15/28/1066361528.db2.gz SABXBJYTNKTOSG-KRWDZBQOSA-N 0 0 480.704 4.271 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)c4cccc(F)c4)CC3)n2CCSC(C)C)n1 ZINC001492515756 1066361810 /nfs/dbraw/zinc/36/18/10/1066361810.db2.gz GJHRHEUJNNRSNX-UHFFFAOYSA-N 0 0 482.629 4.282 20 0 JIADRN CCN(CC)Cc1csc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)n1 ZINC001331719888 1066361831 /nfs/dbraw/zinc/36/18/31/1066361831.db2.gz CVRBCOTUPPGNKZ-NRFANRHFSA-N 0 0 474.652 4.080 20 0 JIADRN C[C@@H]1CN(S(=O)(=O)c2cc(-c3nnc(-c4cc5c(s4)CCC5)o3)ccc2Cl)C[C@H](C)O1 ZINC001331837936 1066362680 /nfs/dbraw/zinc/36/26/80/1066362680.db2.gz NNWTVYKRXMRIMQ-BETUJISGSA-N 0 0 480.011 4.405 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCc2ccc(F)cc2C)n1 ZINC001492515893 1066362745 /nfs/dbraw/zinc/36/27/45/1066362745.db2.gz HZCCAGBNPFDYAC-UHFFFAOYSA-N 0 0 464.589 4.033 20 0 JIADRN CSCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001316464537 1066362954 /nfs/dbraw/zinc/36/29/54/1066362954.db2.gz AEQKEFPZAGUPAT-QZTJIDSGSA-N 0 0 453.653 4.014 20 0 JIADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)n1 ZINC001492515955 1066363146 /nfs/dbraw/zinc/36/31/46/1066363146.db2.gz JNFNTCQJYMRWQS-HHHXNRCGSA-N 0 0 498.672 4.285 20 0 JIADRN CSCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc2c(c1)OCCO2 ZINC001316465253 1066365574 /nfs/dbraw/zinc/36/55/74/1066365574.db2.gz KAJXFXFEICDYDH-UHFFFAOYSA-N 0 0 492.443 4.239 20 0 JIADRN CSCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCn2nc(C)nc2C1 ZINC001316465396 1066365946 /nfs/dbraw/zinc/36/59/46/1066365946.db2.gz GJRPUKSGLRNGHK-UHFFFAOYSA-N 0 0 482.441 4.227 20 0 JIADRN COc1ccc(Cc2noc(-c3nn(-c4ccccc4F)cc3Br)n2)cc1OC ZINC001332006421 1066366995 /nfs/dbraw/zinc/36/69/95/1066366995.db2.gz DRTVSCXNUKVZBW-UHFFFAOYSA-N 0 0 459.275 4.432 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2nc(Cn3cnc4ccccc43)no2)(C(F)(F)F)CC1 ZINC001332019259 1066367996 /nfs/dbraw/zinc/36/79/96/1066367996.db2.gz MGMNKJRZEQQMKH-UHFFFAOYSA-N 0 0 451.449 4.299 20 0 JIADRN CSCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C ZINC001316466477 1066369930 /nfs/dbraw/zinc/36/99/30/1066369930.db2.gz SKHXNYSUNDHQNU-IBGZPJMESA-N 0 0 477.679 4.172 20 0 JIADRN CCS(=O)(=O)c1ccc(CCc2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1 ZINC001332045273 1066370318 /nfs/dbraw/zinc/37/03/18/1066370318.db2.gz PMHPRRBQROHOIM-NRFANRHFSA-N 0 0 471.579 4.263 20 0 JIADRN COc1cc(Cc2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc(OC)c1OC ZINC001332046770 1066370693 /nfs/dbraw/zinc/37/06/93/1066370693.db2.gz UXOHURCDNZRPKM-HXUWFJFHSA-N 0 0 455.511 4.300 20 0 JIADRN CSCCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCNC(C)=O ZINC001316467050 1066370961 /nfs/dbraw/zinc/37/09/61/1066370961.db2.gz YGUWLFGCAWJGMB-UHFFFAOYSA-N 0 0 474.856 4.077 20 0 JIADRN CSCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001316467429 1066371733 /nfs/dbraw/zinc/37/17/33/1066371733.db2.gz VLBRZNCIQCQOAR-IBGZPJMESA-N 0 0 457.673 4.455 20 0 JIADRN CSCCCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)c1nc(C)cs1 ZINC001316467715 1066371813 /nfs/dbraw/zinc/37/18/13/1066371813.db2.gz BHFTXNDZXDNVFJ-INIZCTEOSA-N 0 0 455.657 4.275 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2CCSC(C)C)n1 ZINC001492517253 1066371856 /nfs/dbraw/zinc/37/18/56/1066371856.db2.gz MPJCLCMJWLNYRY-UHFFFAOYSA-N 0 0 485.057 4.406 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCSC(F)(F)F)n1 ZINC001492517306 1066372534 /nfs/dbraw/zinc/37/25/34/1066372534.db2.gz NUXFNPXGXILJPV-HNNXBMFYSA-N 0 0 486.564 4.347 20 0 JIADRN CSCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001316467928 1066372399 /nfs/dbraw/zinc/37/23/99/1066372399.db2.gz YBMZVYKNXHQURO-QGZVFWFLSA-N 0 0 466.076 4.178 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492517472 1066373117 /nfs/dbraw/zinc/37/31/17/1066373117.db2.gz UDVBVRUBZGEZMW-MRXNPFEDSA-N 0 0 450.534 4.139 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CC[C@H](F)C2)n1 ZINC001492517424 1066373170 /nfs/dbraw/zinc/37/31/70/1066373170.db2.gz SCWUVTMWLCLZFU-FHWLQOOXSA-N 0 0 458.582 4.232 20 0 JIADRN CSCCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001316468874 1066373695 /nfs/dbraw/zinc/37/36/95/1066373695.db2.gz XVPWMZUVSYDTGV-UTKZUKDTSA-N 0 0 470.643 4.234 20 0 JIADRN CSCCCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 ZINC001316469195 1066374052 /nfs/dbraw/zinc/37/40/52/1066374052.db2.gz CEERCISZODBYLH-HXUWFJFHSA-N 0 0 457.065 4.219 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001492518207 1066375399 /nfs/dbraw/zinc/37/53/99/1066375399.db2.gz XGXAVXPOLUQZLU-DEOSSOPVSA-N 0 0 488.558 4.401 20 0 JIADRN CSCCCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C)Cc2ccccc2C1 ZINC001316470098 1066376002 /nfs/dbraw/zinc/37/60/02/1066376002.db2.gz VKKFCICUBPHCNC-UHFFFAOYSA-N 0 0 469.680 4.264 20 0 JIADRN FC(F)(F)c1ccccc1-n1ccc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)n1 ZINC001332501127 1066376200 /nfs/dbraw/zinc/37/62/00/1066376200.db2.gz PQYIVNIKYXLWSB-UHFFFAOYSA-N 0 0 455.440 4.440 20 0 JIADRN CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(O)c1 ZINC001316470561 1066376345 /nfs/dbraw/zinc/37/63/45/1066376345.db2.gz KFPAXJRBZUCXBW-LJQANCHMSA-N 0 0 475.659 4.336 20 0 JIADRN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1 ZINC001332500957 1066376326 /nfs/dbraw/zinc/37/63/26/1066376326.db2.gz NVQZUVWCKWNASE-APWZRJJASA-N 0 0 472.567 4.032 20 0 JIADRN CSCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001316470717 1066376891 /nfs/dbraw/zinc/37/68/91/1066376891.db2.gz ADLFLFIFANQBAI-MRXNPFEDSA-N 0 0 450.678 4.133 20 0 JIADRN CSCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001316470716 1066377194 /nfs/dbraw/zinc/37/71/94/1066377194.db2.gz ADLFLFIFANQBAI-INIZCTEOSA-N 0 0 450.678 4.133 20 0 JIADRN CSCCCn1c(-c2cnn(C)c2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001316471213 1066377716 /nfs/dbraw/zinc/37/77/16/1066377716.db2.gz DNGSNMKVVIWSSM-AWEZNQCLSA-N 0 0 461.433 4.318 20 0 JIADRN Cc1cc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CCCSCC(C)C)CC2)no1 ZINC001492518378 1066377734 /nfs/dbraw/zinc/37/77/34/1066377734.db2.gz CXPBBTGSKBRGLS-UHFFFAOYSA-N 0 0 469.659 4.046 20 0 JIADRN CSCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001316471179 1066377775 /nfs/dbraw/zinc/37/77/75/1066377775.db2.gz CRXLTNYITICOCD-SFHVURJKSA-N 0 0 466.533 4.028 20 0 JIADRN CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001316471010 1066377870 /nfs/dbraw/zinc/37/78/70/1066377870.db2.gz HVNXOFMBZSPGSX-ZRNYENFQSA-N 0 0 481.707 4.299 20 0 JIADRN CSCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001316471252 1066378136 /nfs/dbraw/zinc/37/81/36/1066378136.db2.gz JDHPABRHVSOEGF-FQEVSTJZSA-N 0 0 455.584 4.071 20 0 JIADRN Cc1cccc(-c2nnc(N3CCN(Cc4ccc(Cl)cc4)C(=O)C3)n2CCOCCC(C)C)n1 ZINC001492518465 1066378442 /nfs/dbraw/zinc/37/84/42/1066378442.db2.gz GNCBSLQKGAHBQN-UHFFFAOYSA-N 0 0 497.043 4.213 20 0 JIADRN CSCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nccs1 ZINC001316471674 1066379238 /nfs/dbraw/zinc/37/92/38/1066379238.db2.gz SRDHDUUXTPNGAC-UHFFFAOYSA-N 0 0 466.677 4.087 20 0 JIADRN CSCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001316473521 1066381137 /nfs/dbraw/zinc/38/11/37/1066381137.db2.gz ARGZRWRMOFNNTL-INIZCTEOSA-N 0 0 480.457 4.495 20 0 JIADRN CSCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001316473610 1066381159 /nfs/dbraw/zinc/38/11/59/1066381159.db2.gz BNYQAKHEQICVFJ-BYICEURKSA-N 0 0 451.434 4.058 20 0 JIADRN CSCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001316473223 1066381296 /nfs/dbraw/zinc/38/12/96/1066381296.db2.gz HBUQZEHSZULAQC-UHFFFAOYSA-N 0 0 478.382 4.145 20 0 JIADRN CSCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001316473714 1066381657 /nfs/dbraw/zinc/38/16/57/1066381657.db2.gz CYSHDIGNTNRWSI-UHFFFAOYSA-N 0 0 460.003 4.102 20 0 JIADRN CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001316474219 1066382392 /nfs/dbraw/zinc/38/23/92/1066382392.db2.gz MCIWUAPNYUNRLM-UHFFFAOYSA-N 0 0 487.066 4.428 20 0 JIADRN CSCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001316473963 1066382506 /nfs/dbraw/zinc/38/25/06/1066382506.db2.gz SCQVUMBRCKFLCK-KSSFIOAISA-N 0 0 453.534 4.346 20 0 JIADRN CSCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001316474445 1066383017 /nfs/dbraw/zinc/38/30/17/1066383017.db2.gz MENRYEMQAIGQFK-UZLBHIALSA-N 0 0 473.622 4.360 20 0 JIADRN CSCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)C)C1 ZINC001316474679 1066383607 /nfs/dbraw/zinc/38/36/07/1066383607.db2.gz PNSAKAPMLFUYIU-KRWDZBQOSA-N 0 0 457.413 4.461 20 0 JIADRN Cc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCN2CCCCCC2=O)n1 ZINC001492520385 1066384375 /nfs/dbraw/zinc/38/43/75/1066384375.db2.gz LZYYYLQARUZSPC-SANMLTNESA-N 0 0 468.646 4.083 20 0 JIADRN 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VEIMDHICQSNZHO-OQGGWEOTSA-N 0 0 453.539 4.084 20 0 JIADRN CC(C)(C)OC(=O)N[C@H](c1noc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)n1)c1ccccc1 ZINC001334079931 1066392496 /nfs/dbraw/zinc/39/24/96/1066392496.db2.gz FMTCTBFRBYBGOD-FQEVSTJZSA-N 0 0 484.578 4.063 20 0 JIADRN CSCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001316479147 1066392620 /nfs/dbraw/zinc/39/26/20/1066392620.db2.gz RATMLTJSZAYPCS-MOPGFXCFSA-N 0 0 460.600 4.022 20 0 JIADRN CSCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1 ZINC001316479373 1066393032 /nfs/dbraw/zinc/39/30/32/1066393032.db2.gz UTPGNIVFVFDYPS-UHFFFAOYSA-N 0 0 455.415 4.287 20 0 JIADRN CC(C)(C)OC(=O)N[C@H](c1noc([C@H](c2cccc(F)c2)N2CCOCC2)n1)c1ccccc1 ZINC001334081055 1066393313 /nfs/dbraw/zinc/39/33/13/1066393313.db2.gz JYMGSNLORSTVMJ-SFTDATJTSA-N 0 0 468.529 4.244 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 ZINC001316480730 1066395812 /nfs/dbraw/zinc/39/58/12/1066395812.db2.gz SXGYZWSKLHZOID-ONTIZHBOSA-N 0 0 491.677 4.418 20 0 JIADRN CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001316481572 1066396532 /nfs/dbraw/zinc/39/65/32/1066396532.db2.gz AEWJVSGAPCKBLC-IPMKNSEASA-N 0 0 481.707 4.395 20 0 JIADRN Cc1cccc(CC2(O)CCN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccsc3)CC2)c1 ZINC001492524256 1066397523 /nfs/dbraw/zinc/39/75/23/1066397523.db2.gz IYKDVAPZYGJRGV-DEOSSOPVSA-N 0 0 454.640 4.253 20 0 JIADRN CSCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001316481908 1066397626 /nfs/dbraw/zinc/39/76/26/1066397626.db2.gz GEJJMIRYNGSWKP-LJQANCHMSA-N 0 0 491.662 4.080 20 0 JIADRN Cc1nccn1CCCCn1c(N2CCC(O)(Cc3cccc(C)c3)CC2)nnc1C(C)(C)C ZINC001492524411 1066397791 /nfs/dbraw/zinc/39/77/91/1066397791.db2.gz NJHHINPXQWVFGG-UHFFFAOYSA-N 0 0 464.658 4.443 20 0 JIADRN Cc1cccc(CC2(O)CCN(c3nnc(C(C)(C)C)n3CCCN3CCCCCC3=O)CC2)c1 ZINC001492524545 1066398517 /nfs/dbraw/zinc/39/85/17/1066398517.db2.gz QXODWFIVUYOEOO-UHFFFAOYSA-N 0 0 481.685 4.251 20 0 JIADRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOCC1 ZINC001316482486 1066399525 /nfs/dbraw/zinc/39/95/25/1066399525.db2.gz MSKSRSWDWZDARC-KRWDZBQOSA-N 0 0 479.467 4.163 20 0 JIADRN CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001316482755 1066399930 /nfs/dbraw/zinc/39/99/30/1066399930.db2.gz RDASQOPIHGZFTP-CEXWTWQISA-N 0 0 465.664 4.251 20 0 JIADRN CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001316482757 1066400260 /nfs/dbraw/zinc/40/02/60/1066400260.db2.gz RDASQOPIHGZFTP-GBESFXJTSA-N 0 0 465.664 4.251 20 0 JIADRN COc1ccc(S(=O)(=O)C[C@@H](C)c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1 ZINC001334871453 1066400672 /nfs/dbraw/zinc/40/06/72/1066400672.db2.gz DHAFPAHXFTTYNS-OXQOHEQNSA-N 0 0 487.578 4.270 20 0 JIADRN CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001316482990 1066400796 /nfs/dbraw/zinc/40/07/96/1066400796.db2.gz YWCZKOBTXDCXJD-FGZHOGPDSA-N 0 0 485.698 4.478 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001316483858 1066402246 /nfs/dbraw/zinc/40/22/46/1066402246.db2.gz FYHKKJVTTIXCKC-HLAWJBBLSA-N 0 0 455.603 4.206 20 0 JIADRN O=S(=O)(NCC(F)(F)F)c1ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001335106083 1066405041 /nfs/dbraw/zinc/40/50/41/1066405041.db2.gz CUIBTCJURQCDNE-UHFFFAOYSA-N 0 0 478.418 4.344 20 0 JIADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001316485692 1066406005 /nfs/dbraw/zinc/40/60/05/1066406005.db2.gz JDZIRJOZPHISQG-OXQOHEQNSA-N 0 0 456.388 4.088 20 0 JIADRN Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N(C)CCOc2ccc(Cl)cc2)n1 ZINC001492525760 1066407038 /nfs/dbraw/zinc/40/70/38/1066407038.db2.gz GSBVRYBELWWCLK-UHFFFAOYSA-N 0 0 465.989 4.183 20 0 JIADRN COc1ccc(-c2nn(CN3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC001335299045 1066407897 /nfs/dbraw/zinc/40/78/97/1066407897.db2.gz GRACSKQHKATBPR-VWNXMTODSA-N 0 0 491.661 4.363 20 0 JIADRN COc1ccc(-c2nn(CN3CCCN(c4nc(C)ns4)CC3)c(=S)n2CC(C)C)cc1 ZINC001335299047 1066407971 /nfs/dbraw/zinc/40/79/71/1066407971.db2.gz GTUJKJOJPPNHTE-UHFFFAOYSA-N 0 0 473.672 4.075 20 0 JIADRN O=C(Nc1ccc2ncccc2c1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC001335299859 1066408135 /nfs/dbraw/zinc/40/81/35/1066408135.db2.gz LHOVWVBNDGLILM-NDEPHWFRSA-N 0 0 462.509 4.353 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Cl)cn2)C[C@H]1C(F)(F)F ZINC001316486917 1066409021 /nfs/dbraw/zinc/40/90/21/1066409021.db2.gz ILLDWJAHOXNBFO-BXUZGUMPSA-N 0 0 460.291 4.178 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1F ZINC001316487138 1066409945 /nfs/dbraw/zinc/40/99/45/1066409945.db2.gz MBWJYPPCCOICMK-APWZRJJASA-N 0 0 450.624 4.250 20 0 JIADRN Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492526178 1066413519 /nfs/dbraw/zinc/41/35/19/1066413519.db2.gz PGWXIGHMLGQSNU-YPAWHYETSA-N 0 0 498.672 4.248 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC[C@@H]2CCCO2)C[C@@H]1F ZINC001316488517 1066416377 /nfs/dbraw/zinc/41/63/77/1066416377.db2.gz LHOHWFZTIKMLRH-ALKREAHSSA-N 0 0 485.373 4.227 20 0 JIADRN Cc1cccc(CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)(C)C)n1 ZINC001492526876 1066417325 /nfs/dbraw/zinc/41/73/25/1066417325.db2.gz OGZNTNNRDMPBEW-NRFANRHFSA-N 0 0 486.661 4.405 20 0 JIADRN Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001492526813 1066417531 /nfs/dbraw/zinc/41/75/31/1066417531.db2.gz MNQOMVNAXFNBQB-HXUWFJFHSA-N 0 0 456.635 4.258 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CC[C@H](Oc4ccc(C5CC5)cn4)C3)on2)CC1 ZINC001335586415 1066417561 /nfs/dbraw/zinc/41/75/61/1066417561.db2.gz BLTRCRJOURVEHW-FQEVSTJZSA-N 0 0 482.581 4.355 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[C@H]2CCCCO2)CCN1C(=O)OC(C)(C)C ZINC001316489105 1066419101 /nfs/dbraw/zinc/41/91/01/1066419101.db2.gz GVKUPCGJEUOLAU-NJYVYQBISA-N 0 0 477.650 4.315 20 0 JIADRN Cc1noc(C)c1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cccc(C)n1 ZINC001492527405 1066420913 /nfs/dbraw/zinc/42/09/13/1066420913.db2.gz GRQQPEKWTOABFW-UHFFFAOYSA-N 0 0 493.999 4.049 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C(F)(F)F ZINC001316489893 1066422266 /nfs/dbraw/zinc/42/22/66/1066422266.db2.gz IIAWKNOFYGMTBC-NVXWUHKLSA-N 0 0 499.528 4.430 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCSC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001316490458 1066424136 /nfs/dbraw/zinc/42/41/36/1066424136.db2.gz WFWFMWKHTNQILT-MOPGFXCFSA-N 0 0 486.686 4.241 20 0 JIADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(=O)N(C)C)c2)C[C@H]1C(F)(F)F ZINC001316490570 1066424625 /nfs/dbraw/zinc/42/46/25/1066424625.db2.gz ZVSLSNUQENWVBE-CRAIPNDOSA-N 0 0 451.537 4.251 20 0 JIADRN C[C@@H]1CN(c2nnc(C3CC3)n2C[C@](C)(O)c2ccccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001316490680 1066424805 /nfs/dbraw/zinc/42/48/05/1066424805.db2.gz AAVBPAMJXJXNHL-GYCJOSAFSA-N 0 0 476.021 4.162 20 0 JIADRN COc1cc(OC)cc(N2CCCN(Cn3nc(-c4cccc(Cl)c4)n(C)c3=S)CC2)c1 ZINC001335876092 1066427142 /nfs/dbraw/zinc/42/71/42/1066427142.db2.gz YHCSURPXUDDZJX-UHFFFAOYSA-N 0 0 474.030 4.458 20 0 JIADRN Cc1cccc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)n1 ZINC001492527982 1066428193 /nfs/dbraw/zinc/42/81/93/1066428193.db2.gz ACFKVNMFHIHTIA-PMACEKPBSA-N 0 0 453.562 4.366 20 0 JIADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](CC(C)C)C2)n1 ZINC001492528447 1066430097 /nfs/dbraw/zinc/43/00/97/1066430097.db2.gz OKVHHUQVEQGUTN-OAQYLSRUSA-N 0 0 496.681 4.014 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCOC2)CCN1C(=O)OC(C)(C)C ZINC001316492251 1066430269 /nfs/dbraw/zinc/43/02/69/1066430269.db2.gz GRWOPACCGNDZIE-XRXFAXGQSA-N 0 0 491.677 4.069 20 0 JIADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)C2CC2)CCN1C(=O)OC(C)(C)C ZINC001316492601 1066432015 /nfs/dbraw/zinc/43/20/15/1066432015.db2.gz UMSCMNUVKYDKSP-HRFSGMKKSA-N 0 0 483.657 4.060 20 0 JIADRN Cc1ccc(CNC(=O)Cc2ccc(NC(=O)c3ccccc3I)cc2)n1C ZINC001336223472 1066433115 /nfs/dbraw/zinc/43/31/15/1066433115.db2.gz JGVYXFSAOBMSIW-UHFFFAOYSA-N 0 0 487.341 4.049 20 0 JIADRN C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCSCCCO)CCN1C(=O)OC(C)(C)C ZINC001316493218 1066435086 /nfs/dbraw/zinc/43/50/86/1066435086.db2.gz HXJGOJXNHUBOQN-KRWDZBQOSA-N 0 0 496.077 4.160 20 0 JIADRN Cc1cccc(CCn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001492528848 1066435809 /nfs/dbraw/zinc/43/58/09/1066435809.db2.gz GNNBFSWFABYERG-OAQYLSRUSA-N 0 0 462.598 4.242 20 0 JIADRN Cc1cccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H]2CCCOC2)c1 ZINC001492528929 1066435847 /nfs/dbraw/zinc/43/58/47/1066435847.db2.gz XGJHDRHULAZPJH-LJQANCHMSA-N 0 0 472.431 4.460 20 0 JIADRN C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCSCC1)NC(=O)OC(C)(C)C ZINC001316494391 1066438585 /nfs/dbraw/zinc/43/85/85/1066438585.db2.gz MNXAMVCCURSGPX-MRXNPFEDSA-N 0 0 470.599 4.067 20 0 JIADRN Cc1cccc(CCn2c([C@@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)c1 ZINC001492529582 1066438976 /nfs/dbraw/zinc/43/89/76/1066438976.db2.gz BCFUTLPSPKNLLX-GOSISDBHSA-N 0 0 491.455 4.156 20 0 JIADRN Cc1cccc(CCn2c(C3CC3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492529588 1066439699 /nfs/dbraw/zinc/43/96/99/1066439699.db2.gz BGTZLWHMAQKXDW-QUCCMNQESA-N 0 0 454.619 4.231 20 0 JIADRN Cc1ccc(-n2c(-c3ccccn3)nn(CN3CCCN(c4ncccc4F)CC3)c2=S)cc1 ZINC001336689848 1066443231 /nfs/dbraw/zinc/44/32/31/1066443231.db2.gz TTYGQCNKLMIRHK-UHFFFAOYSA-N 0 0 475.597 4.478 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NCC(F)F)C[C@H](C)C1(F)F ZINC001316496239 1066444207 /nfs/dbraw/zinc/44/42/07/1066444207.db2.gz LHMJDDINHGCBJP-OKILXGFUSA-N 0 0 487.567 4.384 20 0 JIADRN C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)F)NC(=O)OC(C)(C)C ZINC001316496598 1066446034 /nfs/dbraw/zinc/44/60/34/1066446034.db2.gz UVMJZOPHMYNGQB-MRXNPFEDSA-N 0 0 462.545 4.286 20 0 JIADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCCO[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001316496967 1066447779 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CC[C@@H]1N([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CCC[C@@]12CCC(=O)N2 ZINC001164843909 720752286 /nfs/dbraw/zinc/75/22/86/720752286.db2.gz AZCJSYCBKRWSTE-NTUVXCKYSA-N 0 0 492.426 4.445 20 0 JIADRN CC[C@@H]1N(c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164846489 720755138 /nfs/dbraw/zinc/75/51/38/720755138.db2.gz JFBVXJLSGHLCQK-SZCFDOLESA-N 0 0 467.683 4.440 20 0 JIADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC[C@@]4(CCC(=O)N4)[C@H]3CC)c2c1C ZINC001164843764 720755170 /nfs/dbraw/zinc/75/51/70/720755170.db2.gz AMYIFHVNHZICPF-WXTAPIANSA-N 0 0 499.681 4.190 20 0 JIADRN CC[C@H]1N(C(F)(F)c2cc(-c3ccccc3OC)nnc2Cl)CCC[C@@]12CCC(=O)N2 ZINC001164845677 720758524 /nfs/dbraw/zinc/75/85/24/720758524.db2.gz GCQUVSRLCWCVRS-WIYYLYMNSA-N 0 0 450.917 4.378 20 0 JIADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164848421 720781208 /nfs/dbraw/zinc/78/12/08/720781208.db2.gz PPDYBTRXVKEFHB-OAGGEKHMSA-N 0 0 481.956 4.109 20 0 JIADRN COC(=O)c1ccc(C(F)(F)N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c(Cl)n1 ZINC001164853676 720807280 /nfs/dbraw/zinc/80/72/80/720807280.db2.gz RZRMRSGCLVBSSK-JOCHJYFZSA-N 0 0 463.912 4.004 20 0 JIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)C2=O)c1 ZINC001164848063 720808039 /nfs/dbraw/zinc/80/80/39/720808039.db2.gz BXQIRYNLDAHKOL-QFIPXVFZSA-N 0 0 457.912 4.161 20 0 JIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)C2=O)c1 ZINC001164854606 720808619 /nfs/dbraw/zinc/80/86/19/720808619.db2.gz UTWCSMWYZJVDBR-QFIPXVFZSA-N 0 0 478.927 4.309 20 0 JIADRN O=C1[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@@H]2CN1Cc1ccncc1 ZINC001164854652 720814096 /nfs/dbraw/zinc/81/40/96/720814096.db2.gz UZIZBYVPOBUGFJ-PKOBYXMFSA-N 0 0 470.907 4.317 20 0 JIADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1)c1ccccc1 ZINC001164859399 720899526 /nfs/dbraw/zinc/89/95/26/720899526.db2.gz PUNVMRQQYCHTQG-AUSIDOKSSA-N 0 0 472.923 4.386 20 0 JIADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)c(Cl)n1 ZINC001164855238 720900710 /nfs/dbraw/zinc/90/07/10/720900710.db2.gz HXECZWZMQFLREJ-UZUQRXQVSA-N 0 0 493.938 4.015 20 0 JIADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C2)C1)c1ccccc1 ZINC001164861654 720902027 /nfs/dbraw/zinc/90/20/27/720902027.db2.gz UEJCWKKYSVYZQV-HOYKHHGWSA-N 0 0 499.949 4.295 20 0 JIADRN Cc1sc2nc(CN3CCCC3)nc(N3Cc4cncn4C[C@H](COCC4CC4)C3)c2c1C ZINC001164758918 720980944 /nfs/dbraw/zinc/98/09/44/720980944.db2.gz WWMSIMRPXOQZRY-HXUWFJFHSA-N 0 0 466.655 4.163 20 0 JIADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)c(Cl)nn2)cc1 ZINC001164763536 721010915 /nfs/dbraw/zinc/01/09/15/721010915.db2.gz YDNCFGAOSJVXHH-WMQCIHAUSA-N 0 0 476.886 4.296 20 0 JIADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)c(Cl)nn1 ZINC001164759032 721011219 /nfs/dbraw/zinc/01/12/19/721011219.db2.gz JYGPKRHHZZTUDH-NDXORKPFSA-N 0 0 476.886 4.296 20 0 JIADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@@H]2C1=O ZINC001164864722 721024946 /nfs/dbraw/zinc/02/49/46/721024946.db2.gz ZDTHTWVYOACWRU-PMPSAXMXSA-N 0 0 462.368 4.281 20 0 JIADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@@H]2C1=O ZINC001164861040 721027374 /nfs/dbraw/zinc/02/73/74/721027374.db2.gz NCYTVBUCFKSDTR-QRQLOZEOSA-N 0 0 478.971 4.176 20 0 JIADRN CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)nc1Cl ZINC001164864607 721027786 /nfs/dbraw/zinc/02/77/86/721027786.db2.gz YKKDTMNHGVAQMV-BBWFWOEESA-N 0 0 474.017 4.349 20 0 JIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164766942 721030276 /nfs/dbraw/zinc/03/02/76/721030276.db2.gz RTSGZWYSXOWLRF-KXBFYZLASA-N 0 0 459.324 4.154 20 0 JIADRN COc1cccc(-c2cc(C(F)(F)N3CCc4ncc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164862630 721034367 /nfs/dbraw/zinc/03/43/67/721034367.db2.gz NGHLULHJPLEPLI-UHFFFAOYSA-N 0 0 484.938 4.460 20 0 JIADRN CCn1nnc2c1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)[C@@H]2COCc1ccccc1 ZINC001164760599 721048241 /nfs/dbraw/zinc/04/82/41/721048241.db2.gz XLKWIVNYVTUVGV-OAHLLOKOSA-N 0 0 469.323 4.260 20 0 JIADRN CCn1nnc2c1CCN(c1nc(Cl)ccc1CN1CCCC1)[C@@H]2COCc1ccccc1 ZINC001164770264 721048516 /nfs/dbraw/zinc/04/85/16/721048516.db2.gz KICPYULVCIEJER-JOCHJYFZSA-N 0 0 467.017 4.263 20 0 JIADRN CCn1nnc2c1CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)[C@@H]2COCc1ccccc1 ZINC001164768440 721049186 /nfs/dbraw/zinc/04/91/86/721049186.db2.gz ILFWBPUAOVDPGF-QGZVFWFLSA-N 0 0 473.915 4.088 20 0 JIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cccc(F)c3n2)n1 ZINC001164774574 721051281 /nfs/dbraw/zinc/05/12/81/721051281.db2.gz WRWJDBFYIISJRS-DLBZAZTESA-N 0 0 461.875 4.050 20 0 JIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)n1 ZINC001164771607 721052533 /nfs/dbraw/zinc/05/25/33/721052533.db2.gz NBXLRNLYDKIZAW-QZTJIDSGSA-N 0 0 461.875 4.050 20 0 JIADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c2c1C ZINC001164773556 721054443 /nfs/dbraw/zinc/05/44/43/721054443.db2.gz SERQYEGKGWGALU-FGZHOGPDSA-N 0 0 490.677 4.377 20 0 JIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)n1 ZINC001164764830 721055993 /nfs/dbraw/zinc/05/59/93/721055993.db2.gz BNSBSVKFCGBXIE-LEWJYISDSA-N 0 0 469.923 4.425 20 0 JIADRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164867134 721201030 /nfs/dbraw/zinc/20/10/30/721201030.db2.gz DYXWFAVOIDHAKU-UHFFFAOYSA-N 0 0 488.970 4.034 20 0 JIADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871582 721219954 /nfs/dbraw/zinc/21/99/54/721219954.db2.gz JYFRLSQPOPYPNN-UHFFFAOYSA-N 0 0 472.927 4.008 20 0 JIADRN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164875118 721221780 /nfs/dbraw/zinc/22/17/80/721221780.db2.gz WDRGRFRPCORTDI-MRXNPFEDSA-N 0 0 487.378 4.420 20 0 JIADRN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164871801 721224082 /nfs/dbraw/zinc/22/40/82/721224082.db2.gz LRVDUEYKMWXQAG-INIZCTEOSA-N 0 0 491.970 4.247 20 0 JIADRN CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)C1=O ZINC001164872609 721232216 /nfs/dbraw/zinc/23/22/16/721232216.db2.gz NEMACMKFISBBIY-GGZJYHEGSA-N 0 0 492.693 4.031 20 0 JIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C[C@@H]32)N=C1C ZINC001164871822 721232304 /nfs/dbraw/zinc/23/23/04/721232304.db2.gz IVCJXBWWHIYPGM-IAMHBRQHSA-N 0 0 465.957 4.269 20 0 JIADRN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC5CC4(C(=O)N4CCCC4)C5)c32)C1 ZINC001164870625 721237976 /nfs/dbraw/zinc/23/79/76/721237976.db2.gz AEERRHCUMWLZDA-SIYOEGHHSA-N 0 0 479.694 4.393 20 0 JIADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164870816 721239761 /nfs/dbraw/zinc/23/97/61/721239761.db2.gz CLCBRXPYOMYPEV-KRWDZBQOSA-N 0 0 465.001 4.350 20 0 JIADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164875692 721243072 /nfs/dbraw/zinc/24/30/72/721243072.db2.gz WCZPWTGXFLWXIM-AWEZNQCLSA-N 0 0 460.916 4.441 20 0 JIADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164872677 721250912 /nfs/dbraw/zinc/25/09/12/721250912.db2.gz FCFRCGJTTUXDCU-QRVBRYPASA-N 0 0 473.911 4.337 20 0 JIADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)O1)c1ccccc1 ZINC001164873401 721256037 /nfs/dbraw/zinc/25/60/37/721256037.db2.gz IIOHRRLUXZINCI-LAUBAEHRSA-N 0 0 453.892 4.367 20 0 JIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164873434 721256159 /nfs/dbraw/zinc/25/61/59/721256159.db2.gz ILSRFOJUPPNNCG-HXOBKFHXSA-N 0 0 493.938 4.015 20 0 JIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164879343 721259260 /nfs/dbraw/zinc/25/92/60/721259260.db2.gz YBOZZPLJNCEUGK-GAJHUEQPSA-N 0 0 493.938 4.015 20 0 JIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164766304 721275269 /nfs/dbraw/zinc/27/52/69/721275269.db2.gz CJILLNORNBBVQL-FQEVSTJZSA-N 0 0 491.665 4.457 20 0 JIADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@H]2C1 ZINC001164878563 721296774 /nfs/dbraw/zinc/29/67/74/721296774.db2.gz RCFFMUWLKNTFFS-LIRRHRJNSA-N 0 0 478.952 4.257 20 0 JIADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164875205 721299731 /nfs/dbraw/zinc/29/97/31/721299731.db2.gz CUENNMVMXGFHKI-SWLSCSKDSA-N 0 0 478.348 4.242 20 0 JIADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CCO3)c1 ZINC001164775016 721305161 /nfs/dbraw/zinc/30/51/61/721305161.db2.gz MPBCDCJMLYYTMA-QFIPXVFZSA-N 0 0 459.928 4.407 20 0 JIADRN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164775375 721308087 /nfs/dbraw/zinc/30/80/87/721308087.db2.gz CVOQGJWSWZLDKX-UHFFFAOYSA-N 0 0 471.335 4.320 20 0 JIADRN 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COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCC[C@@H]2C)cc1F ZINC001315476328 1064327688 /nfs/dbraw/zinc/32/76/88/1064327688.db2.gz WDXISYOZZQBOHG-WNSKOXEYSA-N 0 0 459.953 4.329 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCC3)n2CCCNC(=O)c2occc2C)cc1C ZINC001315478316 1064333208 /nfs/dbraw/zinc/33/32/08/1064333208.db2.gz TZRGASQPERUMDC-UHFFFAOYSA-N 0 0 451.571 4.221 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCC3)n2Cc2nc(C(F)(F)F)cs2)cc1O ZINC001315478484 1064333219 /nfs/dbraw/zinc/33/32/19/1064333219.db2.gz VCSCVOUSBYEHCS-UHFFFAOYSA-N 0 0 453.490 4.420 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2nccs2)cc1OC(F)F ZINC001315478351 1064333418 /nfs/dbraw/zinc/33/34/18/1064333418.db2.gz UOTZJWIFAKLCSG-KRWDZBQOSA-N 0 0 479.553 4.465 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2csc(C)n2)cc1OC ZINC001315478744 1064333894 /nfs/dbraw/zinc/33/38/94/1064333894.db2.gz ZFQRKZSMBKGOEP-FQEVSTJZSA-N 0 0 457.600 4.181 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001315479157 1064334890 /nfs/dbraw/zinc/33/48/90/1064334890.db2.gz DNTFKXUJCNLRJI-PGUFJCEWSA-N 0 0 494.665 4.017 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CCCNC(=O)OC(C)(C)C)cc1C ZINC001315479398 1064336519 /nfs/dbraw/zinc/33/65/19/1064336519.db2.gz JHVZZJQUEPCHCD-UHFFFAOYSA-N 0 0 480.613 4.132 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)cc1OC ZINC001315480797 1064341329 /nfs/dbraw/zinc/34/13/29/1064341329.db2.gz SZLGAYFFPDLXBR-HHHXNRCGSA-N 0 0 479.625 4.249 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@H]2C[C@@H]2C)cc1F ZINC001315481306 1064343067 /nfs/dbraw/zinc/34/30/67/1064343067.db2.gz BMFPIUZDFNCVFI-RMRDIRSESA-N 0 0 459.566 4.414 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)cc1OC(F)F ZINC001315482540 1064345541 /nfs/dbraw/zinc/34/55/41/1064345541.db2.gz CVEZWXOURNBLCF-CYBMUJFWSA-N 0 0 497.287 4.364 20 0 JIADRN COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2nccs2)c(OC)c1 ZINC001315482538 1064345784 /nfs/dbraw/zinc/34/57/84/1064345784.db2.gz CUYKRCPZTOBLDC-INIZCTEOSA-N 0 0 481.626 4.054 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(-c3cccc(C)n3)n2CC2(C)CCCC2)c(OC)c1 ZINC001315482727 1064346533 /nfs/dbraw/zinc/34/65/33/1064346533.db2.gz GPGAQIMPSBPHBA-UHFFFAOYSA-N 0 0 465.598 4.245 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2ccnc2C)c(OC)c1 ZINC001315483416 1064348601 /nfs/dbraw/zinc/34/86/01/1064348601.db2.gz NTABDYBGABEYGI-FYYLOGMGSA-N 0 0 482.629 4.055 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[C@H]2C)c(OC)c1 ZINC001315483840 1064350497 /nfs/dbraw/zinc/35/04/97/1064350497.db2.gz QUNPLLMRBNMNNR-MJGOQNOKSA-N 0 0 454.571 4.299 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cn1 ZINC001315484308 1064351841 /nfs/dbraw/zinc/35/18/41/1064351841.db2.gz HPSCYKQIJRBDCB-QGZVFWFLSA-N 0 0 450.543 4.007 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(OC)n1 ZINC001315485101 1064354187 /nfs/dbraw/zinc/35/41/87/1064354187.db2.gz HETPJEHEOKJTDG-SFHVURJKSA-N 0 0 467.545 4.100 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(C(F)(F)F)c1 ZINC001315485455 1064354910 /nfs/dbraw/zinc/35/49/10/1064354910.db2.gz QAZYONHBKZIXSS-DMPWYTOCSA-N 0 0 468.520 4.250 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cc(C)on2)cn1 ZINC001315486115 1064356993 /nfs/dbraw/zinc/35/69/93/1064356993.db2.gz BXOWAVSIXFGPJU-UHFFFAOYSA-N 0 0 483.370 4.401 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H]2CCCCO2)cc1F ZINC001315486908 1064359862 /nfs/dbraw/zinc/35/98/62/1064359862.db2.gz FKECITQQWQQQKD-KRWDZBQOSA-N 0 0 492.393 4.247 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001315486965 1064359919 /nfs/dbraw/zinc/35/99/19/1064359919.db2.gz LJIHCEHSBINDIV-KRWDZBQOSA-N 0 0 471.533 4.146 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H]2C)cc1OC ZINC001315486912 1064359935 /nfs/dbraw/zinc/35/99/35/1064359935.db2.gz FOFGYTBLEDMSOA-AWEZNQCLSA-N 0 0 460.376 4.100 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cn1 ZINC001315487010 1064360102 /nfs/dbraw/zinc/36/01/02/1064360102.db2.gz MCTWJVVJSRYBOY-ICSRJNTNSA-N 0 0 496.612 4.428 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CC2CC(F)(F)C2)cc1OC(F)F ZINC001315487167 1064360467 /nfs/dbraw/zinc/36/04/67/1064360467.db2.gz BEWUKLLVHOKXQX-UHFFFAOYSA-N 0 0 467.467 4.423 20 0 JIADRN COc1ccc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)[C@@H](C)CCSC)cn1 ZINC001315487436 1064361366 /nfs/dbraw/zinc/36/13/66/1064361366.db2.gz JYNLBRCKCIHZNW-KRWDZBQOSA-N 0 0 463.611 4.365 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CCc2nccs2)cn1 ZINC001315487806 1064362839 /nfs/dbraw/zinc/36/28/39/1064362839.db2.gz FDTXCPRLSCQKQH-INIZCTEOSA-N 0 0 468.558 4.145 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cscn2)c(OC)c1OC ZINC001315488295 1064364820 /nfs/dbraw/zinc/36/48/20/1064364820.db2.gz ILEOGZUNBSNHGQ-UHFFFAOYSA-N 0 0 486.985 4.161 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N(CCNC(C)=O)Cc2ccc(C)s2)c(F)c1 ZINC001315488502 1064364942 /nfs/dbraw/zinc/36/49/42/1064364942.db2.gz UKCWFMWGEJXZIX-UHFFFAOYSA-N 0 0 494.596 4.049 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)[C@@H](OC)C2)c(F)c1 ZINC001315488512 1064365078 /nfs/dbraw/zinc/36/50/78/1064365078.db2.gz PHSFVTUHNOOHHI-DJJJIMSYSA-N 0 0 478.366 4.093 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001315488675 1064366431 /nfs/dbraw/zinc/36/64/31/1064366431.db2.gz WIQSHWLSEFTYFJ-LJQANCHMSA-N 0 0 467.570 4.397 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(OC)n1 ZINC001315489401 1064369679 /nfs/dbraw/zinc/36/96/79/1064369679.db2.gz YKWMDAKLFYNOJW-DYVFJYSZSA-N 0 0 497.905 4.215 20 0 JIADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1Cl ZINC001315489974 1064371932 /nfs/dbraw/zinc/37/19/32/1064371932.db2.gz PMMRYISLCRQCGQ-GOSISDBHSA-N 0 0 460.966 4.196 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)OC(C)(C)C2)c(OC)n1 ZINC001315491010 1064375031 /nfs/dbraw/zinc/37/50/31/1064375031.db2.gz WNHWNSUMOOVUSI-QUCCMNQESA-N 0 0 495.624 4.499 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](C(C)C)C2)c(OC)c1OC ZINC001315491335 1064375836 /nfs/dbraw/zinc/37/58/36/1064375836.db2.gz KICPXRXFQMZTGO-SFHVURJKSA-N 0 0 451.571 4.205 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H]2CCCO2)cc1Br ZINC001315491796 1064377014 /nfs/dbraw/zinc/37/70/14/1064377014.db2.gz RXQKYAZSDHSPRZ-QGZVFWFLSA-N 0 0 472.387 4.083 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C(C)(C)C)C2)c(OC)c1OC ZINC001315492312 1064377872 /nfs/dbraw/zinc/37/78/72/1064377872.db2.gz YGFIYNGNYWTGTN-GOSISDBHSA-N 0 0 451.571 4.287 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc1Cl ZINC001315492555 1064378794 /nfs/dbraw/zinc/37/87/94/1064378794.db2.gz VILPHKLOLXVPHU-HNNXBMFYSA-N 0 0 480.922 4.123 20 0 JIADRN COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(OC(C)(C)C)CC2)cc1OC(F)F ZINC001315493649 1064380861 /nfs/dbraw/zinc/38/08/61/1064380861.db2.gz JBXPQXOQVDVXFZ-UHFFFAOYSA-N 0 0 490.555 4.121 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC=C(C(F)(F)F)CC2)c(OC)c1OC ZINC001315494092 1064382292 /nfs/dbraw/zinc/38/22/92/1064382292.db2.gz GIKMGHGBXHFBQF-SFHVURJKSA-N 0 0 482.503 4.293 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1OC(F)F ZINC001315494066 1064382462 /nfs/dbraw/zinc/38/24/62/1064382462.db2.gz GBKFFMLSYDCELU-KRWDZBQOSA-N 0 0 476.446 4.362 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)cc1O ZINC001315494530 1064383898 /nfs/dbraw/zinc/38/38/98/1064383898.db2.gz KRMMBTIKGZXTGJ-HXUWFJFHSA-N 0 0 483.613 4.312 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001315494639 1064384833 /nfs/dbraw/zinc/38/48/33/1064384833.db2.gz MVMHLOGPYSNJDO-SFHLNBCPSA-N 0 0 484.645 4.327 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(C)cs2)cc1Br ZINC001315497016 1064390137 /nfs/dbraw/zinc/39/01/37/1064390137.db2.gz FMQPCWRYRTXMGM-QGZVFWFLSA-N 0 0 490.427 4.055 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC001315497811 1064391824 /nfs/dbraw/zinc/39/18/24/1064391824.db2.gz CJGUQTPTLHUXKV-HNNXBMFYSA-N 0 0 467.536 4.034 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@H](CC(C)C)C2)c(OC)n1 ZINC001315498697 1064394650 /nfs/dbraw/zinc/39/46/50/1064394650.db2.gz GRWYZDKYZOCEQO-LJQANCHMSA-N 0 0 465.598 4.210 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)c(F)c1 ZINC001315498876 1064395398 /nfs/dbraw/zinc/39/53/98/1064395398.db2.gz MYBZHVTUFWWUTJ-GOSISDBHSA-N 0 0 499.635 4.452 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1O ZINC001315499341 1064396137 /nfs/dbraw/zinc/39/61/37/1064396137.db2.gz QOQLHJDSYIWJDQ-HXUWFJFHSA-N 0 0 492.624 4.188 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)cn1 ZINC001315500435 1064400310 /nfs/dbraw/zinc/40/03/10/1064400310.db2.gz WGQIYDPPLBZYFT-DEOSSOPVSA-N 0 0 489.542 4.159 20 0 JIADRN 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COCCO[C@@H](C)c1nnc(N2CCSC[C@H]2C)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001316215247 1065924661 /nfs/dbraw/zinc/92/46/61/1065924661.db2.gz MDOCKOIVMWQEPR-MSOLQXFVSA-N 0 0 487.601 4.319 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1Cc1nc(C(C)C)cs1 ZINC001316215146 1065925028 /nfs/dbraw/zinc/92/50/28/1065925028.db2.gz WNFXBOHWMFVPFS-LAUBAEHRSA-N 0 0 489.617 4.347 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001316215371 1065925631 /nfs/dbraw/zinc/92/56/31/1065925631.db2.gz IUALLCPNHDYZAN-OTWHNJEPSA-N 0 0 493.599 4.494 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CC1(OC)CCC(C)CC1 ZINC001316215609 1065926024 /nfs/dbraw/zinc/92/60/24/1065926024.db2.gz XEFGSMZAFASBRI-MICBOONCSA-N 0 0 490.620 4.314 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1Cc1ccccc1F ZINC001316215919 1065926362 /nfs/dbraw/zinc/92/63/62/1065926362.db2.gz YKUBOLBMLZVVRG-QAPCUYQASA-N 0 0 480.993 4.482 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1(OC)CCC(C)CC1 ZINC001316216147 1065926874 /nfs/dbraw/zinc/92/68/74/1065926874.db2.gz KRMSFNJDAOZSIC-PAJWEWNKSA-N 0 0 462.557 4.232 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001316216729 1065927409 /nfs/dbraw/zinc/92/74/09/1065927409.db2.gz LOMZSAXPEBDASD-OWCLPIDISA-N 0 0 472.964 4.440 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1Cc1ccc(CSC)cc1 ZINC001316217525 1065928965 /nfs/dbraw/zinc/92/89/65/1065928965.db2.gz HUMKGFMGCGMAMI-IBGZPJMESA-N 0 0 492.711 4.016 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1coc(-c2cccs2)n1 ZINC001316217461 1065929217 /nfs/dbraw/zinc/92/92/17/1065929217.db2.gz OHCOZTXUNNPAEC-OWCLPIDISA-N 0 0 481.569 4.494 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001316219561 1065932098 /nfs/dbraw/zinc/93/20/98/1065932098.db2.gz WGBLLIIDEUWYIU-SDHKCTLJSA-N 0 0 460.594 4.149 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCN1c2ccccc2C[C@@H]1C ZINC001316219666 1065932691 /nfs/dbraw/zinc/93/26/91/1065932691.db2.gz POYGDGSXDVCSAK-MZKRTTBSSA-N 0 0 473.687 4.031 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1Cc1c(F)cccc1SC ZINC001316219954 1065933331 /nfs/dbraw/zinc/93/33/31/1065933331.db2.gz QJCWSZKLKMSFLJ-OAHLLOKOSA-N 0 0 454.637 4.243 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1Cc1ccc(Cl)nc1 ZINC001316221522 1065935967 /nfs/dbraw/zinc/93/59/67/1065935967.db2.gz YKHWTLYHLMEPRV-QGZVFWFLSA-N 0 0 466.051 4.355 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001316221694 1065936618 /nfs/dbraw/zinc/93/66/18/1065936618.db2.gz PVSFHNSYBUJFIZ-PCCBWWKXSA-N 0 0 464.651 4.135 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C[C@H]1CCCC1(C)C ZINC001316222682 1065937767 /nfs/dbraw/zinc/93/77/67/1065937767.db2.gz DLEOVOFEADOMSV-MXEMCNAFSA-N 0 0 491.677 4.132 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC1(SC)CC1 ZINC001316222872 1065938408 /nfs/dbraw/zinc/93/84/08/1065938408.db2.gz UVFOULXDMRGLPE-SJORKVTESA-N 0 0 495.715 4.230 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001316223983 1065940785 /nfs/dbraw/zinc/94/07/85/1065940785.db2.gz GYFDLSUOIDOZSW-DCFHFQCYSA-N 0 0 499.656 4.061 20 0 JIADRN COCCO[C@@H](C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1Cc1c(F)cccc1Cl ZINC001316224385 1065941517 /nfs/dbraw/zinc/94/15/17/1065941517.db2.gz XEBBBIWJENDIGZ-YVEFUNNKSA-N 0 0 470.883 4.363 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001316224828 1065941860 /nfs/dbraw/zinc/94/18/60/1065941860.db2.gz PGSVXJYUDUBOHU-NRFANRHFSA-N 0 0 452.603 4.033 20 0 JIADRN COCCOc1ccc(Cn2c(C3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001316224545 1065942015 /nfs/dbraw/zinc/94/20/15/1065942015.db2.gz MKCYYYQTQPWKRA-UHFFFAOYSA-N 0 0 499.656 4.312 20 0 JIADRN COCCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(F)(F)F)cc1 ZINC001316224790 1065942091 /nfs/dbraw/zinc/94/20/91/1065942091.db2.gz OURPOENBUOGYOO-UHFFFAOYSA-N 0 0 455.868 4.066 20 0 JIADRN COCCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001316225050 1065942554 /nfs/dbraw/zinc/94/25/54/1065942554.db2.gz DCRJWUARKJCQOY-UHFFFAOYSA-N 0 0 453.587 4.131 20 0 JIADRN COCCOc1ccc(Cn2c(C3CC3)nnc2N(C)Cc2ccc(Br)o2)cc1 ZINC001316225951 1065944445 /nfs/dbraw/zinc/94/44/45/1065944445.db2.gz ZFWBZDYMMBWNMD-UHFFFAOYSA-N 0 0 461.360 4.221 20 0 JIADRN COCCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC001316226227 1065944688 /nfs/dbraw/zinc/94/46/88/1065944688.db2.gz DJZSWQYAYQWTTK-OUJCMCIWSA-N 0 0 486.657 4.131 20 0 JIADRN COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001316227084 1065946054 /nfs/dbraw/zinc/94/60/54/1065946054.db2.gz WGYVJYBJIOLZPV-QFIPXVFZSA-N 0 0 454.571 4.111 20 0 JIADRN COCCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001316227128 1065946083 /nfs/dbraw/zinc/94/60/83/1065946083.db2.gz XRIQCPDACJNLJJ-HOTGVXAUSA-N 0 0 474.403 4.201 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001316228253 1065948447 /nfs/dbraw/zinc/94/84/47/1065948447.db2.gz IECZKTRVZAWGCC-AREMUKBSSA-N 0 0 467.614 4.297 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(CC2CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001316229210 1065950999 /nfs/dbraw/zinc/95/09/99/1065950999.db2.gz ONGGTNYDWIJOCH-LJQANCHMSA-N 0 0 452.521 4.391 20 0 JIADRN COCCOc1ncccc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)C1 ZINC001316229247 1065951200 /nfs/dbraw/zinc/95/12/00/1065951200.db2.gz LCYYCPSBBJKRJO-INIZCTEOSA-N 0 0 490.029 4.017 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C)C1 ZINC001316229522 1065951697 /nfs/dbraw/zinc/95/16/97/1065951697.db2.gz QNEACYNYUZWUQA-GOSISDBHSA-N 0 0 458.653 4.254 20 0 JIADRN COCCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001316230487 1065953997 /nfs/dbraw/zinc/95/39/97/1065953997.db2.gz RCVNBAPDXWGZKP-JOCHJYFZSA-N 0 0 466.630 4.086 20 0 JIADRN COCCOc1ncccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001316230577 1065954284 /nfs/dbraw/zinc/95/42/84/1065954284.db2.gz XYQPDHRTIHTEFJ-UHFFFAOYSA-N 0 0 482.947 4.238 20 0 JIADRN COCCOc1ncccc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C ZINC001316231133 1065955716 /nfs/dbraw/zinc/95/57/16/1065955716.db2.gz ZXHIIFXDJBOQJE-MRXNPFEDSA-N 0 0 472.387 4.165 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)C1 ZINC001316231570 1065956791 /nfs/dbraw/zinc/95/67/91/1065956791.db2.gz ABYOUMZNPHVHIA-XZOQPEGZSA-N 0 0 479.625 4.418 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](F)COC)C1 ZINC001316231637 1065957438 /nfs/dbraw/zinc/95/74/38/1065957438.db2.gz BFGGYUZPMFDYFB-HZPDHXFCSA-N 0 0 483.009 4.430 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(F)c2)C1 ZINC001316231807 1065958198 /nfs/dbraw/zinc/95/81/98/1065958198.db2.gz FMEPTFQWQOQULU-IBGZPJMESA-N 0 0 492.393 4.049 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001316233230 1065961333 /nfs/dbraw/zinc/96/13/33/1065961333.db2.gz ATSYFOFVMHNEQJ-XPNTWCBSSA-N 0 0 476.687 4.404 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCc2cc(F)cc(F)c2)C1 ZINC001316233213 1065961366 /nfs/dbraw/zinc/96/13/66/1065961366.db2.gz ARRSTXIULPCHRM-NRFANRHFSA-N 0 0 462.566 4.083 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCOC(C)(C)C)C1 ZINC001316233360 1065961799 /nfs/dbraw/zinc/96/17/99/1065961799.db2.gz PNYQBXFXFCLTKR-QFIPXVFZSA-N 0 0 456.631 4.195 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001316233909 1065963686 /nfs/dbraw/zinc/96/36/86/1065963686.db2.gz NZSRLBHCTSCVFN-SFHVURJKSA-N 0 0 494.036 4.145 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccco2)C1 ZINC001316234960 1065966084 /nfs/dbraw/zinc/96/60/84/1065966084.db2.gz NLBZOOMSBMRRMB-AWEZNQCLSA-N 0 0 467.389 4.042 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](OC)C(C)(C)C)C1 ZINC001316235304 1065966607 /nfs/dbraw/zinc/96/66/07/1065966607.db2.gz WHBZIRCWJQPLBY-GBXCKJPGSA-N 0 0 481.641 4.495 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(F)c(F)c2F)C1 ZINC001316235667 1065967501 /nfs/dbraw/zinc/96/75/01/1065967501.db2.gz OTOBHMAZFPJSIB-KRWDZBQOSA-N 0 0 464.488 4.138 20 0 JIADRN COCCOC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](F)COC)CC1 ZINC001316235999 1065969067 /nfs/dbraw/zinc/96/90/67/1065969067.db2.gz CUPNUQBALUYGCA-HNNXBMFYSA-N 0 0 483.009 4.430 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC=C(C)C)C1 ZINC001316235870 1065969086 /nfs/dbraw/zinc/96/90/86/1065969086.db2.gz WBUAWOQLACDCPM-HSZRJFAPSA-N 0 0 450.587 4.119 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C1 ZINC001316237208 1065971544 /nfs/dbraw/zinc/97/15/44/1065971544.db2.gz PVVOUBBJSYLHFM-HXUWFJFHSA-N 0 0 476.046 4.276 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Br)cc2)C1 ZINC001316237686 1065972891 /nfs/dbraw/zinc/97/28/91/1065972891.db2.gz BFWUHGMQSBPKGX-RTWAWAEBSA-N 0 0 493.446 4.157 20 0 JIADRN COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001316237988 1065973707 /nfs/dbraw/zinc/97/37/07/1065973707.db2.gz JQZGMYUNCGBGFV-DEOSSOPVSA-N 0 0 463.022 4.172 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](F)C2)C1 ZINC001316238558 1065975051 /nfs/dbraw/zinc/97/50/51/1065975051.db2.gz XAJQIJBFHGDUID-NZSAHSFTSA-N 0 0 466.985 4.377 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCOc2ccccc2Cl)C1 ZINC001316239230 1065975865 /nfs/dbraw/zinc/97/58/65/1065975865.db2.gz FXGGBKUCFFUVCR-SFHVURJKSA-N 0 0 451.011 4.231 20 0 JIADRN COCCOC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001316239807 1065976984 /nfs/dbraw/zinc/97/69/84/1065976984.db2.gz BCKGQCMVTHWBCJ-NRFANRHFSA-N 0 0 462.660 4.363 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)C1 ZINC001316239841 1065977603 /nfs/dbraw/zinc/97/76/03/1065977603.db2.gz SOXHVYQCIRZALU-QHAWAJNXSA-N 0 0 491.677 4.117 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C)nc2)C1 ZINC001316240571 1065979380 /nfs/dbraw/zinc/97/93/80/1065979380.db2.gz SYMQPZIVQCYHKT-JOCHJYFZSA-N 0 0 467.639 4.262 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](OC)C(C)(C)C)C1 ZINC001316240868 1065980084 /nfs/dbraw/zinc/98/00/84/1065980084.db2.gz WQMFMWSFVFDZAR-JUXOCIIHSA-N 0 0 476.687 4.434 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cscc2C(F)(F)F)C1 ZINC001316242054 1065982788 /nfs/dbraw/zinc/98/27/88/1065982788.db2.gz MPDNQTUIWWZQFV-FUHWJXTLSA-N 0 0 474.549 4.280 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCCS2)C1 ZINC001316241933 1065982874 /nfs/dbraw/zinc/98/28/74/1065982874.db2.gz ONQJYMGCNNYYPL-IAGOWNOFSA-N 0 0 499.450 4.374 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001316242925 1065984501 /nfs/dbraw/zinc/98/45/01/1065984501.db2.gz ZCGAUQZYNOBWPS-JENIJYKNSA-N 0 0 498.546 4.498 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(F)cc2Cl)C1 ZINC001316243128 1065984980 /nfs/dbraw/zinc/98/49/80/1065984980.db2.gz STBGSFLBUQXNTB-FPOVZHCZSA-N 0 0 466.985 4.187 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001316244243 1065985714 /nfs/dbraw/zinc/98/57/14/1065985714.db2.gz CZEZKQIXNYSJDU-ULQDDVLXSA-N 0 0 467.383 4.088 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001316244788 1065986326 /nfs/dbraw/zinc/98/63/26/1065986326.db2.gz OQMULCRBTXBIIY-QGZVFWFLSA-N 0 0 456.921 4.090 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001316244545 1065986502 /nfs/dbraw/zinc/98/65/02/1065986502.db2.gz MTTFJOPCLPBCKQ-YADHBBJMSA-N 0 0 491.677 4.357 20 0 JIADRN COCCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C1 ZINC001316247381 1065989150 /nfs/dbraw/zinc/98/91/50/1065989150.db2.gz CUPTVHDZGXPAJP-GOTSBHOMSA-N 0 0 499.656 4.257 20 0 JIADRN COCCOC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2ccc(F)cc2)CC1 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CC(=O)Nc1cc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(F)cc1F ZINC001351760155 1067194806 /nfs/dbraw/zinc/19/48/06/1067194806.db2.gz MIIICSOBCVARLV-IBGZPJMESA-N 0 0 458.292 4.242 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccnc1 ZINC001492579040 1067195082 /nfs/dbraw/zinc/19/50/82/1067195082.db2.gz CAROQWAQIBYWSO-NFBKMPQASA-N 0 0 476.625 4.164 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCOCC(F)(F)C(F)F ZINC001492579029 1067195117 /nfs/dbraw/zinc/19/51/17/1067195117.db2.gz BTVKUDQPELUQHY-HZPDHXFCSA-N 0 0 460.541 4.425 20 0 JIADRN Cc1ccc2[nH]c(C(=O)OCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c(Cl)c2c1 ZINC001321666651 1067195415 /nfs/dbraw/zinc/19/54/15/1067195415.db2.gz OLHZWOBGNRDHCK-SFHVURJKSA-N 0 0 454.910 4.421 20 0 JIADRN CO[C@H]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001300735560 1067195280 /nfs/dbraw/zinc/19/52/80/1067195280.db2.gz KLFJWXZKQBVIQU-HKUYNNGSSA-N 0 0 488.514 4.396 20 0 JIADRN CC(=O)Nc1cc(NC(=O)C2(c3ccc(I)cc3)CC2)c(F)cc1F 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C[C@@H]1CN(Cc2csc(NC(=O)Cc3cc(Br)ccc3Cl)n2)C[C@H](C)O1 ZINC001351781180 1067203891 /nfs/dbraw/zinc/20/38/91/1067203891.db2.gz LFVAMSNBZCWGOU-TXEJJXNPSA-N 0 0 458.809 4.349 20 0 JIADRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(F)(F)c1ccccc1Br ZINC001351785874 1067206235 /nfs/dbraw/zinc/20/62/35/1067206235.db2.gz WECASZCQBLIQML-UHFFFAOYSA-N 0 0 453.283 4.424 20 0 JIADRN CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001321752553 1067206363 /nfs/dbraw/zinc/20/63/63/1067206363.db2.gz RYRXIPDNELCBBX-UHFFFAOYSA-N 0 0 466.335 4.073 20 0 JIADRN COc1ccc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(OCC(C)C)c1 ZINC001351786049 1067206743 /nfs/dbraw/zinc/20/67/43/1067206743.db2.gz XQMPKKMPOXSYCQ-UHFFFAOYSA-N 0 0 451.567 4.269 20 0 JIADRN CSc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2)cc1Br ZINC001354856906 1067207160 /nfs/dbraw/zinc/20/71/60/1067207160.db2.gz DEEGLZQZWCUYJG-UHFFFAOYSA-N 0 0 459.369 4.067 20 0 JIADRN CCOc1ccc(Oc2ccccc2NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)cc1 ZINC001351790555 1067208437 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COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H]2CC[C@@H](F)C2)c1 ZINC001315564078 1064592962 /nfs/dbraw/zinc/59/29/62/1064592962.db2.gz QJWURJTUTDQRSZ-JFIYKMOQSA-N 0 0 455.500 4.165 20 0 JIADRN COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001315564907 1064595665 /nfs/dbraw/zinc/59/56/65/1064595665.db2.gz YHCMPUICSINBRH-FPOVZHCZSA-N 0 0 495.590 4.479 20 0 JIADRN COc1cccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001315565293 1064596622 /nfs/dbraw/zinc/59/66/22/1064596622.db2.gz YFXOFRNKPWSZLO-HNNXBMFYSA-N 0 0 477.396 4.383 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccnc(SC)c2)c1 ZINC001315565442 1064596763 /nfs/dbraw/zinc/59/67/63/1064596763.db2.gz DNJSFCMCDAWFHB-IBGZPJMESA-N 0 0 496.637 4.222 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2sc(C)nc2C)c1 ZINC001315566500 1064598399 /nfs/dbraw/zinc/59/83/99/1064598399.db2.gz PJYYSPHNWVTNLU-GOSISDBHSA-N 0 0 484.626 4.179 20 0 JIADRN 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COc1cccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@H]2CCOC2)c1 ZINC001315568561 1064604171 /nfs/dbraw/zinc/60/41/71/1064604171.db2.gz CCENGKIYYLCXDE-RTBURBONSA-N 0 0 485.629 4.120 20 0 JIADRN COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001315568772 1064604294 /nfs/dbraw/zinc/60/42/94/1064604294.db2.gz BEFCXKAIWZGYGT-AUSIDOKSSA-N 0 0 492.624 4.385 20 0 JIADRN COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001315568775 1064605456 /nfs/dbraw/zinc/60/54/56/1064605456.db2.gz BEFCXKAIWZGYGT-XXBNENTESA-N 0 0 492.624 4.385 20 0 JIADRN COc1cccc([C@@H]2CCCN2c2nnc(C(=O)N3CCCC3)n2CCCC(F)(F)F)c1 ZINC001315569616 1064609010 /nfs/dbraw/zinc/60/90/10/1064609010.db2.gz CTAPEVOLOWHBAJ-SFHVURJKSA-N 0 0 451.493 4.207 20 0 JIADRN COc1cccc([C@@H]2CN(c3nnc([C@H]4CCOC4)n3C[C@@H](SC)C(C)(C)C)CCO2)c1 ZINC001315570447 1064612335 /nfs/dbraw/zinc/61/23/35/1064612335.db2.gz OFSROGBCNXURFK-SESVDKBCSA-N 0 0 460.644 4.146 20 0 JIADRN COc1cccc([C@@H]2CCCN2c2nnc([C@H]3CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001315571158 1064615858 /nfs/dbraw/zinc/61/58/58/1064615858.db2.gz OKCKFVKWITZBTA-UNMCSNQZSA-N 0 0 485.629 4.389 20 0 JIADRN COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)F)c1 ZINC001315571604 1064616522 /nfs/dbraw/zinc/61/65/22/1064616522.db2.gz PYNGVQIUTLQCED-GTCCEBARSA-N 0 0 468.520 4.477 20 0 JIADRN COc1cccc([C@@H]2C[C@H](C)CN2c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C(C)C)c1 ZINC001315571779 1064617427 /nfs/dbraw/zinc/61/74/27/1064617427.db2.gz RQBKXYBHFMGQGB-VJBMBRPKSA-N 0 0 469.630 4.278 20 0 JIADRN COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccnc(SC)c3)CCO2)c1 ZINC001315572024 1064618008 /nfs/dbraw/zinc/61/80/08/1064618008.db2.gz GSJFFEOMTVWFJY-NRFANRHFSA-N 0 0 453.612 4.228 20 0 JIADRN COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)c1 ZINC001315572175 1064619163 /nfs/dbraw/zinc/61/91/63/1064619163.db2.gz SJMWSTPURYGZMO-CBQOVEMMSA-N 0 0 492.711 4.166 20 0 JIADRN COc1cccc(C=C2CCN(c3nnc(C(=O)NC(C)C)n3CCc3csc(C)n3)CC2)c1 ZINC001315572749 1064621522 /nfs/dbraw/zinc/62/15/22/1064621522.db2.gz LEZBPURBCLKUEX-UHFFFAOYSA-N 0 0 480.638 4.116 20 0 JIADRN COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)(C)C)c1 ZINC001315573523 1064624676 /nfs/dbraw/zinc/62/46/76/1064624676.db2.gz XYCVBLBRVXUTPY-CVDCTZTESA-N 0 0 476.625 4.165 20 0 JIADRN COc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCO[C@H]2CCCC[C@H]2C)c1 ZINC001315573920 1064626438 /nfs/dbraw/zinc/62/64/38/1064626438.db2.gz CJEBVODBCNSBKM-KNQAVFIVSA-N 0 0 478.597 4.166 20 0 JIADRN COc1cccc(CCn2c(-c3ccc(C)o3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001315574433 1064628075 /nfs/dbraw/zinc/62/80/75/1064628075.db2.gz WVEWHQCLYVROQY-QGZVFWFLSA-N 0 0 463.504 4.171 20 0 JIADRN COc1cccc(CCn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Br)s2)c1 ZINC001315575130 1064629730 /nfs/dbraw/zinc/62/97/30/1064629730.db2.gz GHUSFDAMYWNQPC-INIZCTEOSA-N 0 0 477.428 4.494 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](SC)C(C)(C)C)c1 ZINC001315574971 1064629739 /nfs/dbraw/zinc/62/97/39/1064629739.db2.gz SFLRIDQMYSLLSR-SJLPKXTDSA-N 0 0 499.603 4.236 20 0 JIADRN COc1cccc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)[C@@H](F)C2)c1 ZINC001315575573 1064631275 /nfs/dbraw/zinc/63/12/75/1064631275.db2.gz ZJRMVCXVAZOHGB-RBAQFSTRSA-N 0 0 473.593 4.094 20 0 JIADRN COc1cccc(CCn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001315576164 1064633057 /nfs/dbraw/zinc/63/30/57/1064633057.db2.gz YZSXMCCGIZACHZ-NRFANRHFSA-N 0 0 471.646 4.469 20 0 JIADRN COc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)c1 ZINC001315576824 1064634589 /nfs/dbraw/zinc/63/45/89/1064634589.db2.gz RSPWBSANIATOSG-JOCHJYFZSA-N 0 0 450.530 4.009 20 0 JIADRN COc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccco2)c1 ZINC001315577130 1064636219 /nfs/dbraw/zinc/63/62/19/1064636219.db2.gz ZHSZQYQYHHFQBI-QFIPXVFZSA-N 0 0 486.370 4.181 20 0 JIADRN COc1cccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001315577207 1064636334 /nfs/dbraw/zinc/63/63/34/1064636334.db2.gz GDJHOYHJTPKOFI-FXAWDEMLSA-N 0 0 459.591 4.030 20 0 JIADRN COc1cccc(CN(C[C@H]2CCCO2)c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)nc2)c1 ZINC001315577346 1064636797 /nfs/dbraw/zinc/63/67/97/1064636797.db2.gz JSOIRLXDGODXOV-HSZRJFAPSA-N 0 0 478.641 4.279 20 0 JIADRN COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)nc2)c1 ZINC001315577347 1064636924 /nfs/dbraw/zinc/63/69/24/1064636924.db2.gz JSOIRLXDGODXOV-QHCPKHFHSA-N 0 0 478.641 4.279 20 0 JIADRN COc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](OC)C2CC2)c1 ZINC001315577594 1064637819 /nfs/dbraw/zinc/63/78/19/1064637819.db2.gz DKDNFIDIRXWJGI-JTHBVZDNSA-N 0 0 499.656 4.463 20 0 JIADRN COc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)C2)c1OC ZINC001315579269 1064642443 /nfs/dbraw/zinc/64/24/43/1064642443.db2.gz REOOYFQCNCEMEO-CYBMUJFWSA-N 0 0 478.416 4.043 20 0 JIADRN COc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)c1 ZINC001315579426 1064642510 /nfs/dbraw/zinc/64/25/10/1064642510.db2.gz WKPSWBQWWMLRSZ-IRLDBZIGSA-N 0 0 485.629 4.217 20 0 JIADRN COc1cccc(CO[C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCOC(C)(C)C)C2)c1 ZINC001315580781 1064644529 /nfs/dbraw/zinc/64/45/29/1064644529.db2.gz BSSDYAKALCXHTA-FGZHOGPDSA-N 0 0 458.603 4.139 20 0 JIADRN COc1cccc(CO[C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCOC(C)(C)C)C2)c1 ZINC001315580782 1064644580 /nfs/dbraw/zinc/64/45/80/1064644580.db2.gz BSSDYAKALCXHTA-VXKWHMMOSA-N 0 0 458.603 4.139 20 0 JIADRN COc1cccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315582457 1064650481 /nfs/dbraw/zinc/65/04/81/1064650481.db2.gz UOWBSAXPDKUQPM-IRFCIJBXSA-N 0 0 485.629 4.063 20 0 JIADRN COc1cccc(CO[C@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)CNC(=O)OC(C)(C)C)C2)c1 ZINC001315582748 1064651301 /nfs/dbraw/zinc/65/13/01/1064651301.db2.gz SUTUSYYEQKXUPV-UGKGYDQZSA-N 0 0 487.645 4.366 20 0 JIADRN COc1cccc(Cl)c1Cn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1C(C)(C)C ZINC001315582837 1064652083 /nfs/dbraw/zinc/65/20/83/1064652083.db2.gz DTGVIPWPRVBAAR-GOSISDBHSA-N 0 0 473.021 4.005 20 0 JIADRN COc1cccc(CO[C@H]2CCN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C2)c1 ZINC001315583271 1064654226 /nfs/dbraw/zinc/65/42/26/1064654226.db2.gz ZBVREGWDQSXWEG-SFHVURJKSA-N 0 0 456.534 4.288 20 0 JIADRN COc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001315583565 1064654922 /nfs/dbraw/zinc/65/49/22/1064654922.db2.gz WYSCEJJUSBVWBT-KRWDZBQOSA-N 0 0 451.537 4.141 20 0 JIADRN COc1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC001315583586 1064655747 /nfs/dbraw/zinc/65/57/47/1064655747.db2.gz XJSPFNUSGYQOPO-TZRIAGMCSA-N 0 0 487.670 4.436 20 0 JIADRN COc1cccc(Cl)c1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001315583638 1064655912 /nfs/dbraw/zinc/65/59/12/1064655912.db2.gz OHKKDLABDPCYIK-MRXNPFEDSA-N 0 0 494.949 4.047 20 0 JIADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CCOCCC(C)C ZINC001316288133 1066046384 /nfs/dbraw/zinc/04/63/84/1066046384.db2.gz ILSNEFSJBLVDAF-BSRJHKFKSA-N 0 0 478.584 4.467 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3ccccc3[C@@H]2C)n1CCCN(C)CC(F)(F)F ZINC001316288664 1066047097 /nfs/dbraw/zinc/04/70/97/1066047097.db2.gz USVDUXNURFLKQB-CUWPLCDZSA-N 0 0 481.563 4.010 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H](C)Oc1ccccc1F ZINC001316290865 1066050666 /nfs/dbraw/zinc/05/06/66/1066050666.db2.gz PEHCBUOQSMYNOR-MXBUBSDBSA-N 0 0 460.594 4.481 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001316290941 1066050714 /nfs/dbraw/zinc/05/07/14/1066050714.db2.gz JFSODECFWPCFSA-HAGHYFMRSA-N 0 0 477.650 4.026 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCc1ccc(F)c(F)c1F ZINC001316291249 1066051667 /nfs/dbraw/zinc/05/16/67/1066051667.db2.gz QTRDSGGLVNBKKC-VCBZYWHSSA-N 0 0 474.474 4.144 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2Cc2ccccc2)n1C[C@@H](OC)C(C)(C)C ZINC001316292993 1066054700 /nfs/dbraw/zinc/05/47/00/1066054700.db2.gz RWZPHUKMEUDXDZ-GPJHCHHRSA-N 0 0 456.631 4.275 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](C)Oc1ccccc1 ZINC001316293804 1066055424 /nfs/dbraw/zinc/05/54/24/1066055424.db2.gz WJRZUJIVLNATSI-RLBLXZPPSA-N 0 0 472.630 4.254 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCCCc1ccccc1 ZINC001316295160 1066056385 /nfs/dbraw/zinc/05/63/85/1066056385.db2.gz XDDOTCFSPXHKBD-JCYRPKCISA-N 0 0 456.631 4.420 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1Br ZINC001316295548 1066056967 /nfs/dbraw/zinc/05/69/67/1066056967.db2.gz YYCBZDPPUMZLLS-HKUYNNGSSA-N 0 0 463.420 4.439 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC1CCC(C(F)(F)F)CC1 ZINC001316296913 1066057515 /nfs/dbraw/zinc/05/75/15/1066057515.db2.gz DHQSORIFUTVJGP-UUAFILDGSA-N 0 0 474.568 4.375 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 ZINC001316297157 1066057906 /nfs/dbraw/zinc/05/79/06/1066057906.db2.gz GTYLNIRNRVUVNV-PDGJWGCVSA-N 0 0 493.048 4.295 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCCOC(C)C ZINC001316298010 1066058373 /nfs/dbraw/zinc/05/83/73/1066058373.db2.gz AYYRBEYECLOXRA-HSQYWUDLSA-N 0 0 497.011 4.188 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](OC)c1ccc(F)cc1 ZINC001316297833 1066058406 /nfs/dbraw/zinc/05/84/06/1066058406.db2.gz PTELTBXYAZDTIF-GGISIDAXSA-N 0 0 490.620 4.170 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCCSC ZINC001316298032 1066058440 /nfs/dbraw/zinc/05/84/40/1066058440.db2.gz BCZIDCPTUFTKOZ-DAYGRLMNSA-N 0 0 473.064 4.048 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1c(F)cccc1OC(F)F ZINC001316298332 1066058712 /nfs/dbraw/zinc/05/87/12/1066058712.db2.gz VTXZQAPMQGPICB-BEVDRBHNSA-N 0 0 498.546 4.042 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N[C@H](C)[C@H](OC)c2ccccc2Cl)n1C[C@H]1CCC[C@@H](O)C1 ZINC001316299816 1066059592 /nfs/dbraw/zinc/05/95/92/1066059592.db2.gz ONJJGRHVUMDHMZ-BBQMYZGJSA-N 0 0 493.048 4.395 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001316299576 1066059673 /nfs/dbraw/zinc/05/96/73/1066059673.db2.gz BOZKWNVTLWTFDA-HKUYNNGSSA-N 0 0 466.598 4.494 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC(F)(F)c1ccccc1 ZINC001316300462 1066060483 /nfs/dbraw/zinc/06/04/83/1066060483.db2.gz KHWWVDANAWRQNO-VXNCWWDNSA-N 0 0 452.571 4.124 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC(F)(F)c1ccccc1 ZINC001316300464 1066060672 /nfs/dbraw/zinc/06/06/72/1066060672.db2.gz KHWWVDANAWRQNO-ZMMAXQRCSA-N 0 0 452.571 4.124 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCOC1CCCC1 ZINC001316300880 1066060895 /nfs/dbraw/zinc/06/08/95/1066060895.db2.gz BXJADSVEWTWOAH-DMUMMCEESA-N 0 0 456.578 4.079 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccccc1OC(F)F ZINC001316300861 1066061068 /nfs/dbraw/zinc/06/10/68/1066061068.db2.gz BKGCMFQGDQQJLO-VUNQQRPYSA-N 0 0 490.473 4.286 20 0 JIADRN COC[C@H]1[C@@H]2CN(c3nnc(-c4ccccc4F)n3C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC[C@H]12 ZINC001316303454 1066063886 /nfs/dbraw/zinc/06/38/86/1066063886.db2.gz ZGNBQPASAASBRX-KOUHRCEDSA-N 0 0 487.620 4.306 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCOc1cccc(C)c1 ZINC001316303885 1066064844 /nfs/dbraw/zinc/06/48/44/1066064844.db2.gz ZCPORVGWSFUBSE-JTJHWIPRSA-N 0 0 464.557 4.117 20 0 JIADRN CON(C)c1nnc(-c2ccccc2Br)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001316307678 1066066649 /nfs/dbraw/zinc/06/66/49/1066066649.db2.gz SBRSNLGEICQNAS-UHFFFAOYSA-N 0 0 476.341 4.370 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCO[C@H](C)c2ccccc2)C1 ZINC001316311990 1066068156 /nfs/dbraw/zinc/06/81/56/1066068156.db2.gz GCORSTONTOLTHI-VQIMIIECSA-N 0 0 474.403 4.429 20 0 JIADRN CON(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001316312363 1066068363 /nfs/dbraw/zinc/06/83/63/1066068363.db2.gz UGPZJFXWKNQLAF-MRXNPFEDSA-N 0 0 465.545 4.324 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001316313215 1066069289 /nfs/dbraw/zinc/06/92/89/1066069289.db2.gz VXWNCPHSYPLHKC-RBUKOAKNSA-N 0 0 461.994 4.223 20 0 JIADRN CON(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCN(C)C(=O)OC(C)(C)C ZINC001316313537 1066069901 /nfs/dbraw/zinc/06/99/01/1066069901.db2.gz MFOZIGKEIBKVBP-UHFFFAOYSA-N 0 0 474.389 4.419 20 0 JIADRN CON(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1c[nH]c2cc(F)ccc12 ZINC001316314798 1066070786 /nfs/dbraw/zinc/07/07/86/1066070786.db2.gz ZOFFZRKUURNPFI-IBGZPJMESA-N 0 0 458.538 4.211 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001316315211 1066071700 /nfs/dbraw/zinc/07/17/00/1066071700.db2.gz AWCLTPALAKYIRR-CQSZACIVSA-N 0 0 453.852 4.007 20 0 JIADRN CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)c2cccs2)C1 ZINC001316316104 1066072209 /nfs/dbraw/zinc/07/22/09/1066072209.db2.gz KUUWQSIGBFTJOF-LJQANCHMSA-N 0 0 453.612 4.412 20 0 JIADRN CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001316315589 1066072315 /nfs/dbraw/zinc/07/23/15/1066072315.db2.gz QSAJFJVTLWZLPQ-GOSISDBHSA-N 0 0 457.928 4.098 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCO[C@H]2CCCC[C@@H]2C)C1 ZINC001316316757 1066072493 /nfs/dbraw/zinc/07/24/93/1066072493.db2.gz HRSNRDPPYKYQAV-CBPXPLCBSA-N 0 0 491.677 4.213 20 0 JIADRN CO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCSC2(C)C)C1 ZINC001316316764 1066073163 /nfs/dbraw/zinc/07/31/63/1066073163.db2.gz HRZGHMUMYRHLFP-RTBURBONSA-N 0 0 479.691 4.149 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2)C1 ZINC001316317132 1066073491 /nfs/dbraw/zinc/07/34/91/1066073491.db2.gz QBSNLZWFIUAPLF-FGZHOGPDSA-N 0 0 469.630 4.169 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCSc2ccccc2)C1 ZINC001316318587 1066074290 /nfs/dbraw/zinc/07/42/90/1066074290.db2.gz IWTVXAXBLFRCMY-HSALFYBXSA-N 0 0 487.670 4.456 20 0 JIADRN CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(Br)s2)C1 ZINC001316319960 1066075401 /nfs/dbraw/zinc/07/54/01/1066075401.db2.gz ZYILIJUSJWAHFR-QGPMSJSTSA-N 0 0 483.476 4.489 20 0 JIADRN CO[C@@H]1CC[C@@H]2CN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3CCSCC(C)C)C[C@H]12 ZINC001316321050 1066076352 /nfs/dbraw/zinc/07/63/52/1066076352.db2.gz GIBQDEVLGJJMHI-CRSSMBPESA-N 0 0 493.718 4.299 20 0 JIADRN CO[C@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2([S@](C)=O)CCC2)C1 ZINC001316321808 1066077074 /nfs/dbraw/zinc/07/70/74/1066077074.db2.gz JLATWCQKROELGA-GNSAJEBISA-N 0 0 481.062 4.215 20 0 JIADRN CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001316322299 1066077549 /nfs/dbraw/zinc/07/75/49/1066077549.db2.gz SKVYOCPFGMLVTR-HXUWFJFHSA-N 0 0 471.989 4.356 20 0 JIADRN CO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccc(Cl)s2)C1 ZINC001316322543 1066077942 /nfs/dbraw/zinc/07/79/42/1066077942.db2.gz UXYMVKGQQRBEQH-INIZCTEOSA-N 0 0 480.421 4.044 20 0 JIADRN CO[C@@H]1CC[C@@H]2CN(c3nnc(CCc4ccccc4)n3CCSCC(F)(F)F)C[C@H]12 ZINC001316322437 1066078147 /nfs/dbraw/zinc/07/81/47/1066078147.db2.gz QUAGGVAYUMOXKN-CEXWTWQISA-N 0 0 454.562 4.220 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCC2CCOCC2)C1 ZINC001316324097 1066080697 /nfs/dbraw/zinc/08/06/97/1066080697.db2.gz QVHRVJRZBZEQHH-FQEVSTJZSA-N 0 0 493.446 4.074 20 0 JIADRN CO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(F)(F)c2ccccc2)C1 ZINC001316324853 1066081511 /nfs/dbraw/zinc/08/15/11/1066081511.db2.gz DIURWFUMBSPPTL-FQEVSTJZSA-N 0 0 491.583 4.410 20 0 JIADRN CO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001316324803 1066081652 /nfs/dbraw/zinc/08/16/52/1066081652.db2.gz ZUTPDIIXVYXYPH-UXHICEINSA-N 0 0 455.603 4.126 20 0 JIADRN 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JIADRN COc1ccc2onc(CC(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)c(C)s3)c2c1 ZINC001355350526 1067429510 /nfs/dbraw/zinc/42/95/10/1067429510.db2.gz QYQRMTNRRNGIEL-UHFFFAOYSA-N 0 0 456.549 4.147 20 0 JIADRN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc1 ZINC001355352492 1067430019 /nfs/dbraw/zinc/43/00/19/1067430019.db2.gz KNPYEEZJGKYGPI-UHFFFAOYSA-N 0 0 459.955 4.253 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC[S@](=O)C(C)(C)C)c(OC)c1 ZINC001300033168 1067430337 /nfs/dbraw/zinc/43/03/37/1067430337.db2.gz HYTQFQQMWLFZOH-IAQAZVPISA-N 0 0 462.660 4.382 20 0 JIADRN C[C@H]1CN([C@@H](CNC(=O)CCCOc2ccc(F)cc2)c2c(F)cccc2Cl)CCO1 ZINC001355353330 1067430854 /nfs/dbraw/zinc/43/08/54/1067430854.db2.gz LDLYOVGAGFCQMR-KKSFZXQISA-N 0 0 452.929 4.355 20 0 JIADRN C[C@H]1CN([C@H](CNC(=O)CCCOc2ccc(F)cc2)c2c(F)cccc2Cl)CCO1 ZINC001355353324 1067430902 /nfs/dbraw/zinc/43/09/02/1067430902.db2.gz LDLYOVGAGFCQMR-HRAATJIYSA-N 0 0 452.929 4.355 20 0 JIADRN COc1ccccc1-c1ccc(C(=O)NCCNC(=O)c2ccc(Br)cc2)s1 ZINC001355352797 1067431012 /nfs/dbraw/zinc/43/10/12/1067431012.db2.gz DGYSISXAOFXCLI-UHFFFAOYSA-N 0 0 459.365 4.346 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CCCOC[C@@H]2CCCO2)cc1 ZINC001300033254 1067431302 /nfs/dbraw/zinc/43/13/02/1067431302.db2.gz MGBCKPAIIYAEEW-FQEVSTJZSA-N 0 0 491.430 4.418 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCc2nccnc2C)cc1OC ZINC001300033554 1067432765 /nfs/dbraw/zinc/43/27/65/1067432765.db2.gz PKGTZSDDTVDBPM-KRWDZBQOSA-N 0 0 450.587 4.176 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(C)=C(C)C3)n2Cc2nnc(C)s2)cc1Br ZINC001300033728 1067433807 /nfs/dbraw/zinc/43/38/07/1067433807.db2.gz QWPPAUYMWQHUKE-UHFFFAOYSA-N 0 0 475.416 4.471 20 0 JIADRN C[C@@H](C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccn1 ZINC001352482854 1067435354 /nfs/dbraw/zinc/43/53/54/1067435354.db2.gz QKNHJLWRZBYLFF-INIZCTEOSA-N 0 0 459.413 4.280 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCc2n[nH]c(C)n2)cc1Br ZINC001300033958 1067435426 /nfs/dbraw/zinc/43/54/26/1067435426.db2.gz ORJWXHYMCDZALT-MRXNPFEDSA-N 0 0 488.434 4.258 20 0 JIADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001355368436 1067436205 /nfs/dbraw/zinc/43/62/05/1067436205.db2.gz RVPGWMUVTRIURQ-LBPRGKRZSA-N 0 0 456.344 4.180 20 0 JIADRN CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001200049714 1067436379 /nfs/dbraw/zinc/43/63/79/1067436379.db2.gz GIQIZAAOKRXKSL-SFHVURJKSA-N 0 0 452.374 4.299 20 0 JIADRN Cc1ccc(I)c(OC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC001355373005 1067436875 /nfs/dbraw/zinc/43/68/75/1067436875.db2.gz URDXWIVWMOHMOA-UHFFFAOYSA-N 0 0 458.321 4.189 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](OC)C3)n2Cc2ccc(F)cn2)cc1Br ZINC001300034429 1067437035 /nfs/dbraw/zinc/43/70/35/1067437035.db2.gz YNWKAMCWNTULCT-VLIAUNLRSA-N 0 0 490.377 4.160 20 0 JIADRN CC(=O)Nc1ccc(NC(=O)c2cc(F)c(F)cc2I)cc1Cl ZINC001352485219 1067437925 /nfs/dbraw/zinc/43/79/25/1067437925.db2.gz WGNSKHOFRJUEJA-UHFFFAOYSA-N 0 0 450.610 4.434 20 0 JIADRN CCOC(=O)c1sc(NC(=O)[C@@]2(C(=O)OC)C[C@H]2c2ccccc2)nc1-c1ccccc1 ZINC001352485262 1067438246 /nfs/dbraw/zinc/43/82/46/1067438246.db2.gz AEISYNSMBDUWJP-BXKMTCNYSA-N 0 0 450.516 4.272 20 0 JIADRN O=C(Nc1ccc(NC(=O)[C@H]2CCCCO2)cc1)c1ccccc1I ZINC001355376932 1067438693 /nfs/dbraw/zinc/43/86/93/1067438693.db2.gz TXYJLCAMTFDCGJ-QGZVFWFLSA-N 0 0 450.276 4.051 20 0 JIADRN CCOC(=O)c1sc(NC(=O)[C@@]2(C(=O)OC)C[C@@H]2c2ccccc2)nc1-c1ccccc1 ZINC001352485263 1067438909 /nfs/dbraw/zinc/43/89/09/1067438909.db2.gz AEISYNSMBDUWJP-MZNJEOGPSA-N 0 0 450.516 4.272 20 0 JIADRN CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001200050622 1067439009 /nfs/dbraw/zinc/43/90/09/1067439009.db2.gz LDARRNHYUGXPQE-HNNXBMFYSA-N 0 0 453.358 4.277 20 0 JIADRN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cccc4ccccc43)CC2)cc1 ZINC001355377965 1067439232 /nfs/dbraw/zinc/43/92/32/1067439232.db2.gz OIDRLNUFMQRKIT-UHFFFAOYSA-N 0 0 450.604 4.429 20 0 JIADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ncc(C)s2)c1 ZINC001355377503 1067439334 /nfs/dbraw/zinc/43/93/34/1067439334.db2.gz MPTIGRJEIPEDCY-MRXNPFEDSA-N 0 0 459.593 4.085 20 0 JIADRN COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCCc2nc(C)no2)cc1 ZINC001300035260 1067440531 /nfs/dbraw/zinc/44/05/31/1067440531.db2.gz ZSFIKARDZXNQML-UHFFFAOYSA-N 0 0 450.465 4.057 20 0 JIADRN C[C@@H](C(=O)Oc1c(Cl)cc(Cl)cc1Cl)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001352492649 1067442011 /nfs/dbraw/zinc/44/20/11/1067442011.db2.gz YDTSCODZDMUMTA-JTQLQIEISA-N 0 0 451.734 4.020 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@H](c4ccco4)C3)n2C[C@H](C)OC)cc1Br ZINC001300035556 1067442177 /nfs/dbraw/zinc/44/21/77/1067442177.db2.gz AOJDEVYACZGRHX-HOCLYGCPSA-N 0 0 461.360 4.338 20 0 JIADRN COC(=O)C[C@H](NC(=O)C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC001352493858 1067442527 /nfs/dbraw/zinc/44/25/27/1067442527.db2.gz AVHTYNACVSIIRN-HNNXBMFYSA-N 0 0 459.123 4.359 20 0 JIADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cnc(-c4ccccc4Cl)nc3)cc2)C[C@H](C)O1 ZINC001355385147 1067443417 /nfs/dbraw/zinc/44/34/17/1067443417.db2.gz JVCAQTFPIKPJJJ-IYBDPMFKSA-N 0 0 450.926 4.299 20 0 JIADRN COC(=O)C[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC001352495398 1067444444 /nfs/dbraw/zinc/44/44/44/1067444444.db2.gz WAUFFAUXJAARJT-QGZVFWFLSA-N 0 0 458.711 4.431 20 0 JIADRN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001352495228 1067444516 /nfs/dbraw/zinc/44/45/16/1067444516.db2.gz UQOMMCZDSWXMMB-RBUKOAKNSA-N 0 0 477.424 4.021 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC(=O)NC2CCCCC2)cc1Br ZINC001300036564 1067445378 /nfs/dbraw/zinc/44/53/78/1067445378.db2.gz RJVKIGJKEGNBTF-CVEARBPZSA-N 0 0 490.446 4.400 20 0 JIADRN CN(C)c1ncccc1N(C)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001355390268 1067445749 /nfs/dbraw/zinc/44/57/49/1067445749.db2.gz KZXTYSJAJYPTEC-UHFFFAOYSA-N 0 0 453.340 4.439 20 0 JIADRN CCc1c(Br)cc(C(=O)NCc2ccc([S@](C)=O)cc2)cc1Br ZINC001355391935 1067446722 /nfs/dbraw/zinc/44/67/22/1067446722.db2.gz WGDJCPCVHLOHIC-QHCPKHFHSA-N 0 0 459.203 4.441 20 0 JIADRN COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)c1ccccc1 ZINC001355390782 1067446743 /nfs/dbraw/zinc/44/67/43/1067446743.db2.gz YCWHFNNCGHZUBR-BTYIYWSLSA-N 0 0 452.532 4.289 20 0 JIADRN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)n1 ZINC001300037434 1067447736 /nfs/dbraw/zinc/44/77/36/1067447736.db2.gz RDZNZAVPBNLAJP-LJQANCHMSA-N 0 0 451.331 4.126 20 0 JIADRN COc1cccc([C@@H](NC(=O)c2ccc(OC)c(OC)c2OC)c2cc(F)ccc2OC)c1 ZINC001355401536 1067449796 /nfs/dbraw/zinc/44/97/96/1067449796.db2.gz HACCCJHLWNIZFP-JOCHJYFZSA-N 0 0 455.482 4.388 20 0 JIADRN CCOC(=O)c1c2c(sc1NC(=O)c1cccc(CC)n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001355404111 1067449815 /nfs/dbraw/zinc/44/98/15/1067449815.db2.gz AWQYTIVBOFEIPI-UHFFFAOYSA-N 0 0 459.568 4.428 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H]([C@@H]4CCOC4)C3)n2CC(C)(C)C(F)(F)F)cc1OC ZINC001300038093 1067450400 /nfs/dbraw/zinc/45/04/00/1067450400.db2.gz LDDPBSCLEOBRGF-IAGOWNOFSA-N 0 0 468.520 4.414 20 0 JIADRN Cc1nccn1-c1ccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1F ZINC001355405643 1067451417 /nfs/dbraw/zinc/45/14/17/1067451417.db2.gz NSSZDZSHDKDUGU-UHFFFAOYSA-N 0 0 454.303 4.198 20 0 JIADRN Cn1cc(C[C@@H]2CCN(C(=O)c3cccc(Sc4cccc(Br)c4)n3)C2)cn1 ZINC001355407970 1067453532 /nfs/dbraw/zinc/45/35/32/1067453532.db2.gz ZNZHDLVVUAOSCG-HNNXBMFYSA-N 0 0 457.397 4.434 20 0 JIADRN O=C(Nc1ccc(CN2CCOC2=O)cc1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001355408017 1067453884 /nfs/dbraw/zinc/45/38/84/1067453884.db2.gz JKYVKDWPEDFPGT-FQEVSTJZSA-N 0 0 458.356 4.177 20 0 JIADRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001352507100 1067454532 /nfs/dbraw/zinc/45/45/32/1067454532.db2.gz XHLDIIPVFVMGPP-UXHICEINSA-N 0 0 458.530 4.123 20 0 JIADRN Cc1ccc(Nc2nc(N)nc(CN(C)CCCc3cc(-c4ccc(F)cc4)n(C)n3)n2)cc1 ZINC000505783430 1067454588 /nfs/dbraw/zinc/45/45/88/1067454588.db2.gz MGBLIUCBJODAPN-UHFFFAOYSA-N 0 0 460.561 4.110 20 0 JIADRN Cc1cc(I)ccc1NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC001355408558 1067454879 /nfs/dbraw/zinc/45/48/79/1067454879.db2.gz YWCDUPWZQXBJTE-ZDUSSCGKSA-N 0 0 458.093 4.477 20 0 JIADRN CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c1 ZINC001355410218 1067455388 /nfs/dbraw/zinc/45/53/88/1067455388.db2.gz WUGGDWSFPYWEDB-SFHVURJKSA-N 0 0 454.596 4.171 20 0 JIADRN C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001355412666 1067455590 /nfs/dbraw/zinc/45/55/90/1067455590.db2.gz NMHQFVHXGCPXMH-ANJVHQHFSA-N 0 0 465.569 4.365 20 0 JIADRN Cc1c(C(=O)N2c3ccccc3SC[C@@H]2C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001355412998 1067456347 /nfs/dbraw/zinc/45/63/47/1067456347.db2.gz PWIFHBOFVGMAHI-HNNXBMFYSA-N 0 0 457.600 4.300 20 0 JIADRN COc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC(F)(F)Br)cc1 ZINC001300039847 1067457208 /nfs/dbraw/zinc/45/72/08/1067457208.db2.gz ZWEYLYYVEZPXPT-MRXNPFEDSA-N 0 0 471.346 4.194 20 0 JIADRN Cc1cc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)nn1-c1ccccc1Br ZINC001355419021 1067458974 /nfs/dbraw/zinc/45/89/74/1067458974.db2.gz 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CKDRMKBGEUTZOX-UHFFFAOYSA-N 0 0 483.425 4.482 20 0 JIADRN Cn1cc(N2C[C@H](C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)CCC2=O)cn1 ZINC001356259413 1067708981 /nfs/dbraw/zinc/70/89/81/1067708981.db2.gz DYLLWABTSZJOCO-ZIAGYGMSSA-N 0 0 453.395 4.088 20 0 JIADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001356261472 1067709160 /nfs/dbraw/zinc/70/91/60/1067709160.db2.gz GFJJSNDDSWJTQJ-DZFGPLHGSA-N 0 0 458.599 4.333 20 0 JIADRN COC(=O)[C@@]1(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)C[C@H]1c1ccccc1 ZINC001352766447 1067709284 /nfs/dbraw/zinc/70/92/84/1067709284.db2.gz KGZDULREQZURLC-SBUREZEXSA-N 0 0 453.495 4.193 20 0 JIADRN COc1ccc2cc(COC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)ccc2c1 ZINC001352766149 1067709469 /nfs/dbraw/zinc/70/94/69/1067709469.db2.gz WBNJSOHKYDUXIO-JOCHJYFZSA-N 0 0 453.560 4.301 20 0 JIADRN CC(=O)Nc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cn1 ZINC001200129406 1067710575 /nfs/dbraw/zinc/71/05/75/1067710575.db2.gz NCZADEQOMUKYRI-QHCPKHFHSA-N 0 0 457.534 4.339 20 0 JIADRN C[C@H](OC(=O)COc1ccc(C=O)cc1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000848952408 1067712492 /nfs/dbraw/zinc/71/24/92/1067712492.db2.gz IIQXOGLZHAVPKX-AOMKIAJQSA-N 0 0 480.904 4.434 20 0 JIADRN COc1ccc(Br)c(C(=O)OCC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 ZINC000848952416 1067712545 /nfs/dbraw/zinc/71/25/45/1067712545.db2.gz AFRGBIVEUUPFQH-UHFFFAOYSA-N 0 0 485.334 4.300 20 0 JIADRN C[C@@H](c1ccc(NC(=O)NC2CC3(C2)CC(NC(=O)OC(C)(C)C)C3)cc1)N1CCOCC1 ZINC001200130767 1067712575 /nfs/dbraw/zinc/71/25/75/1067712575.db2.gz ZQWQPNOEWPBRGC-AAHMRVMESA-N 0 0 458.603 4.037 20 0 JIADRN COc1ccc(CCc2nnc(N(C)Cc3cc(C)cs3)n2CCc2nnc(C)s2)cc1 ZINC001300111964 1067713640 /nfs/dbraw/zinc/71/36/40/1067713640.db2.gz VVYOEMPSDCIYHE-UHFFFAOYSA-N 0 0 468.652 4.481 20 0 JIADRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(Oc2ccccc2)c1 ZINC001352775486 1067713654 /nfs/dbraw/zinc/71/36/54/1067713654.db2.gz RMVVGQLYVVCGOE-UHFFFAOYSA-N 0 0 451.276 4.476 20 0 JIADRN COc1ccc(CCc2nnc(N(C)Cc3ccoc3C)n2C[C@H]2CSCCS2)cc1 ZINC001300112062 1067714080 /nfs/dbraw/zinc/71/40/80/1067714080.db2.gz XRGIISZNNDXDSJ-NRFANRHFSA-N 0 0 458.653 4.458 20 0 JIADRN CCc1c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)cnn1-c1ccccc1C ZINC001300112285 1067714429 /nfs/dbraw/zinc/71/44/29/1067714429.db2.gz JIYPBECJXCRJGH-LEWJYISDSA-N 0 0 451.954 4.425 20 0 JIADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000848954283 1067714549 /nfs/dbraw/zinc/71/45/49/1067714549.db2.gz CEUGHZBIRYOVQS-GOSISDBHSA-N 0 0 451.954 4.332 20 0 JIADRN COC(=O)[C@@H]1CN(C(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)C[C@H]1c1ccc(Cl)cc1 ZINC001300112494 1067714765 /nfs/dbraw/zinc/71/47/65/1067714765.db2.gz SVLCVNAKDLGMME-MFEFFIJZSA-N 0 0 479.335 4.431 20 0 JIADRN Cc1ccc(O[C@H](C)C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000848955387 1067714773 /nfs/dbraw/zinc/71/47/73/1067714773.db2.gz YDXDZXGDLDVAFU-WOJBJXKFSA-N 0 0 460.530 4.435 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCc2nc(C)no2)cc1 ZINC001300112757 1067715632 /nfs/dbraw/zinc/71/56/32/1067715632.db2.gz BTKJTQNWANWSHB-SFHVURJKSA-N 0 0 452.603 4.269 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@](C)(O)c2cccs2)cc1 ZINC001300112775 1067715685 /nfs/dbraw/zinc/71/56/85/1067715685.db2.gz CAJALNPLSDWAFJ-IQGLISFBSA-N 0 0 470.639 4.045 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H]4CCCCCC[C@@H]43)n2CCNC(=O)C(C)(C)C)cc1 ZINC001300112678 1067715719 /nfs/dbraw/zinc/71/57/19/1067715719.db2.gz AUPIVOHUYWLVBH-GMAHTHKFSA-N 0 0 467.658 4.393 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H]4CCCCCC[C@H]43)n2CCNC(=O)C(C)(C)C)cc1 ZINC001300112679 1067715914 /nfs/dbraw/zinc/71/59/14/1067715914.db2.gz AUPIVOHUYWLVBH-JTHBVZDNSA-N 0 0 467.658 4.393 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001300112878 1067716277 /nfs/dbraw/zinc/71/62/77/1067716277.db2.gz DYQRMYRWJOHEAA-RTBURBONSA-N 0 0 469.630 4.031 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC001300112812 1067716360 /nfs/dbraw/zinc/71/63/60/1067716360.db2.gz CUIPRPXMABGVIN-NZQKXSOJSA-N 0 0 467.658 4.203 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001352780957 1067717157 /nfs/dbraw/zinc/71/71/57/1067717157.db2.gz QMOZBFDCPJINJE-MRXNPFEDSA-N 0 0 456.530 4.405 20 0 JIADRN COC(=O)[C@H](Cc1ccc(C)cc1)SCc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC001473024124 1067717946 /nfs/dbraw/zinc/71/79/46/1067717946.db2.gz FNSSWBGKDNBHDA-SFHVURJKSA-N 0 0 457.577 4.125 20 0 JIADRN CC[C@@H]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001356293025 1067718064 /nfs/dbraw/zinc/71/80/64/1067718064.db2.gz PKJPLECBDNTKRB-UKRRQHHQSA-N 0 0 452.926 4.018 20 0 JIADRN CN(Cc1cc(Br)cn1C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC001356292121 1067718137 /nfs/dbraw/zinc/71/81/37/1067718137.db2.gz VBOKSGSUHXROOP-UHFFFAOYSA-N 0 0 452.150 4.008 20 0 JIADRN O=C(Cc1ccc(Br)cc1F)Nc1cc(Br)ccc1-n1cncn1 ZINC001356294370 1067718418 /nfs/dbraw/zinc/71/84/18/1067718418.db2.gz JQTUCSKMDXJLQX-UHFFFAOYSA-N 0 0 454.097 4.113 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H]2CCCS2)cc1 ZINC001300113472 1067718561 /nfs/dbraw/zinc/71/85/61/1067718561.db2.gz KBZIDDYLJYUQEG-KFKAGJAMSA-N 0 0 470.561 4.124 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001300113717 1067719487 /nfs/dbraw/zinc/71/94/87/1067719487.db2.gz MSHKAWWTEHZAFD-GOSISDBHSA-N 0 0 496.574 4.435 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCCSC)cc1 ZINC001300113931 1067719876 /nfs/dbraw/zinc/71/98/76/1067719876.db2.gz MYVKXFTWRGFRST-GHTZIAJQSA-N 0 0 489.686 4.174 20 0 JIADRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cc(Cl)cc(F)c1Br ZINC001356303121 1067720022 /nfs/dbraw/zinc/72/00/22/1067720022.db2.gz TXQFAZFDDIVJDC-LBPRGKRZSA-N 0 0 455.711 4.403 20 0 JIADRN CCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(F)cc1F ZINC001356303883 1067720071 /nfs/dbraw/zinc/72/00/71/1067720071.db2.gz DZLSLFLGNMKXMP-GOSISDBHSA-N 0 0 454.539 4.321 20 0 JIADRN Cc1cc(C)n(-c2ccc(CCNC(=O)c3csc(I)c3)cc2)n1 ZINC001356308630 1067720432 /nfs/dbraw/zinc/72/04/32/1067720432.db2.gz FFRKKDGOKDNEAS-UHFFFAOYSA-N 0 0 451.333 4.128 20 0 JIADRN CNC(=O)c1ccc(CN(C)C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 ZINC001356311073 1067720874 /nfs/dbraw/zinc/72/08/74/1067720874.db2.gz KMKAPQKNLIMMNV-UHFFFAOYSA-N 0 0 453.589 4.111 20 0 JIADRN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1 ZINC001356312868 1067721618 /nfs/dbraw/zinc/72/16/18/1067721618.db2.gz IAOKYCZPENMEQJ-IBGZPJMESA-N 0 0 457.452 4.324 20 0 JIADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc(-c2ccoc2)nn1-c1ccccc1 ZINC001356317253 1067722414 /nfs/dbraw/zinc/72/24/14/1067722414.db2.gz QIGJLIMJHAYYCB-UHFFFAOYSA-N 0 0 457.458 4.310 20 0 JIADRN COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2CCC[C@H]2C)cc1 ZINC001300114679 1067722542 /nfs/dbraw/zinc/72/25/42/1067722542.db2.gz OPLWLDPAOHUADX-DENIHFKCSA-N 0 0 456.631 4.343 20 0 JIADRN CCO[C@H](C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)[C@H]1CCOC1 ZINC001356319416 1067723451 /nfs/dbraw/zinc/72/34/51/1067723451.db2.gz ZUAPIYVFQXHEQA-DJJJIMSYSA-N 0 0 454.420 4.477 20 0 JIADRN COc1ccc(CCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](C)c2ncc(C)s2)cc1 ZINC001300115090 1067723505 /nfs/dbraw/zinc/72/35/05/1067723505.db2.gz UNLXWDAQHAOCFI-YLJYHZDGSA-N 0 0 455.628 4.113 20 0 JIADRN O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1cncc(I)c1 ZINC001356326983 1067725065 /nfs/dbraw/zinc/72/50/65/1067725065.db2.gz LFVMMJJHZYHRNV-UHFFFAOYSA-N 0 0 456.243 4.384 20 0 JIADRN Cc1ccnc(-n2nccc2NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001356330251 1067725895 /nfs/dbraw/zinc/72/58/95/1067725895.db2.gz QJCBSALPJCLANE-INIZCTEOSA-N 0 0 458.349 4.373 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2CCCc2nccs2)cc1 ZINC001300116154 1067726747 /nfs/dbraw/zinc/72/67/47/1067726747.db2.gz DGQFJNPLJPPFQT-WIYYLYMNSA-N 0 0 455.628 4.022 20 0 JIADRN COc1ccc(CN(C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)[C@@H](C)C2CC2)cc1 ZINC001352793029 1067727089 /nfs/dbraw/zinc/72/70/89/1067727089.db2.gz HQSPLCIEQKPBDO-IVCQMTBJSA-N 0 0 451.542 4.190 20 0 JIADRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001356338263 1067728523 /nfs/dbraw/zinc/72/85/23/1067728523.db2.gz LYAVNUJZDOEELO-UHFFFAOYSA-N 0 0 457.531 4.382 20 0 JIADRN CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)cc1 ZINC000848978124 1067729222 /nfs/dbraw/zinc/72/92/22/1067729222.db2.gz CIPLLHIYBGQNKG-LJQANCHMSA-N 0 0 463.578 4.285 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CC=CCO2)cc1 ZINC001300117784 1067729486 /nfs/dbraw/zinc/72/94/86/1067729486.db2.gz PGPJTDKDAIMAIH-HXUWFJFHSA-N 0 0 450.505 4.196 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H]2CCCS2)cc1 ZINC001300117947 1067730092 /nfs/dbraw/zinc/73/00/92/1067730092.db2.gz QZYCNWUOIPGUHL-RDPSFJRHSA-N 0 0 499.725 4.345 20 0 JIADRN CCc1ccc(-c2nc(C(=O)N[C@H](CC(=O)OC)c3ccc(OC)cc3OC)cs2)cc1 ZINC001356341900 1067730344 /nfs/dbraw/zinc/73/03/44/1067730344.db2.gz GPOUCHHICSQNKW-LJQANCHMSA-N 0 0 454.548 4.424 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2ccc(OC)nc2OC)cc1 ZINC001300118280 1067730468 /nfs/dbraw/zinc/73/04/68/1067730468.db2.gz VTOWDWPNNYTYPX-RBUKOAKNSA-N 0 0 465.598 4.015 20 0 JIADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001356346747 1067731769 /nfs/dbraw/zinc/73/17/69/1067731769.db2.gz WSMXDRDCCKNCOC-IBGZPJMESA-N 0 0 458.477 4.036 20 0 JIADRN COc1cc(OC)cc([C@@H](NC(=O)c2cc(Cl)cc3ccc(C)nc32)c2nccn2C)c1 ZINC001356348784 1067732103 /nfs/dbraw/zinc/73/21/03/1067732103.db2.gz IYGYTLJAADYXMH-JOCHJYFZSA-N 0 0 450.926 4.467 20 0 JIADRN COc1cc(OC)cc([C@H](NC(=O)c2c(Cl)cccc2OCC2CC2)c2nccn2C)c1 ZINC001356350889 1067732536 /nfs/dbraw/zinc/73/25/36/1067732536.db2.gz ZDQPYFJIVYKIHB-QFIPXVFZSA-N 0 0 455.942 4.399 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H]2CCC(F)(F)C2)cc1 ZINC001300119210 1067733211 /nfs/dbraw/zinc/73/32/11/1067733211.db2.gz CPRTURLLOJBUQB-FQEVSTJZSA-N 0 0 489.611 4.248 20 0 JIADRN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354179 1067734135 /nfs/dbraw/zinc/73/41/35/1067734135.db2.gz FMTMLEFCSIZGOE-ZWKOTPCHSA-N 0 0 453.384 4.370 20 0 JIADRN COc1ccc([C@H]2[C@H](C(=O)Nc3nnc(-c4ccc(C)cc4C)s3)CCC(=O)N2C)cc1 ZINC001356365691 1067736622 /nfs/dbraw/zinc/73/66/22/1067736622.db2.gz FLZHRKDYFKRJJA-CTNGQTDRSA-N 0 0 450.564 4.379 20 0 JIADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC001356366139 1067736669 /nfs/dbraw/zinc/73/66/69/1067736669.db2.gz LJPZFGGTJRSBNF-IBGZPJMESA-N 0 0 454.552 4.092 20 0 JIADRN COc1ccc(CCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)cc1OC ZINC001356366878 1067737196 /nfs/dbraw/zinc/73/71/96/1067737196.db2.gz XQOBVWTUFSHLBB-QFIPXVFZSA-N 0 0 458.555 4.027 20 0 JIADRN Cc1ccc(NC(=S)Nc2cc(N3C[C@H](C)O[C@@H](C)C3)nc(C)n2)c(Br)c1 ZINC001200140347 1067737709 /nfs/dbraw/zinc/73/77/09/1067737709.db2.gz UJWRXMSFAVMKSM-STQMWFEESA-N 0 0 450.406 4.278 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC001300120784 1067738535 /nfs/dbraw/zinc/73/85/35/1067738535.db2.gz KFVWEXWTCHDNNT-ZVDOUQERSA-N 0 0 493.574 4.142 20 0 JIADRN CCc1cccc(CC)c1Nc1nnc(SCC(=O)N2CCC(C(=O)N3CCCC3)CC2)s1 ZINC000501620990 1067738621 /nfs/dbraw/zinc/73/86/21/1067738621.db2.gz PZIQIIITNUPHMC-UHFFFAOYSA-N 0 0 487.695 4.360 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCOC2CCCC2)cc1 ZINC001300120887 1067738651 /nfs/dbraw/zinc/73/86/51/1067738651.db2.gz UKKFWIBGZSQURZ-UHFFFAOYSA-N 0 0 496.574 4.315 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@](C)(O)c2ccco2)cc1 ZINC001300121076 1067739017 /nfs/dbraw/zinc/73/90/17/1067739017.db2.gz MBSNLKDUWQZFBH-JPYJTQIMSA-N 0 0 478.515 4.351 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCCC(C)(C)C)cc1 ZINC001300121344 1067739373 /nfs/dbraw/zinc/73/93/73/1067739373.db2.gz NJNNJQUQRKXEAK-OAQYLSRUSA-N 0 0 451.619 4.331 20 0 JIADRN COc1ccc(CCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2Cc2ccncc2Cl)cc1 ZINC001300121291 1067739414 /nfs/dbraw/zinc/73/94/14/1067739414.db2.gz XGLTVEIZNQUBFS-JOCHJYFZSA-N 0 0 470.017 4.420 20 0 JIADRN O=C(NC1(c2noc(C3CCCCC3)n2)CCCCCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001356378940 1067740292 /nfs/dbraw/zinc/74/02/92/1067740292.db2.gz UUPUFCHOUQLJFB-MRXNPFEDSA-N 0 0 456.509 4.194 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](c4nc(C)no4)C3)n2CC(C)(C)SC)cc1 ZINC001300122030 1067740658 /nfs/dbraw/zinc/74/06/58/1067740658.db2.gz WEYCJZDKKQPRSI-LJQANCHMSA-N 0 0 470.643 4.289 20 0 JIADRN CN1CCN(C(=O)c2ccccc2NC(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001352817602 1067740802 /nfs/dbraw/zinc/74/08/02/1067740802.db2.gz DWJTZMVHEFOUAF-UHFFFAOYSA-N 0 0 458.381 4.304 20 0 JIADRN CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC001352818853 1067741690 /nfs/dbraw/zinc/74/16/90/1067741690.db2.gz RVSURLWFGTUBSH-UHFFFAOYSA-N 0 0 458.381 4.304 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2[C@@H]2C[C@H]2CF)cc1 ZINC001300122725 1067742204 /nfs/dbraw/zinc/74/22/04/1067742204.db2.gz IEMWMAWVAMRBGL-QXAKKESOSA-N 0 0 456.484 4.150 20 0 JIADRN COc1ccc(CCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC(C)(C)C(F)(F)F)cc1 ZINC001300123263 1067743464 /nfs/dbraw/zinc/74/34/64/1067743464.db2.gz QPKMCIPVKWGVGQ-GOSISDBHSA-N 0 0 477.535 4.130 20 0 JIADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)Cc2cccc(OCC(F)(F)F)c2)c1C ZINC001352822699 1067744472 /nfs/dbraw/zinc/74/44/72/1067744472.db2.gz FOAHQBNRPSXZMA-LJQANCHMSA-N 0 0 452.498 4.327 20 0 JIADRN O=C(Nc1ccc(Br)c(CO)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001300123625 1067744516 /nfs/dbraw/zinc/74/45/16/1067744516.db2.gz AKFGXLQCZJBOFS-UHFFFAOYSA-N 0 0 455.287 4.309 20 0 JIADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(F)cc(Br)c2F)c1C ZINC001352823049 1067745147 /nfs/dbraw/zinc/74/51/47/1067745147.db2.gz IOUUQGQYUKZADY-MRXNPFEDSA-N 0 0 455.324 4.498 20 0 JIADRN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1NC(=O)c1ccccc1F ZINC001356403848 1067745019 /nfs/dbraw/zinc/74/50/19/1067745019.db2.gz KGFIBQCIDCEEPO-QHCPKHFHSA-N 0 0 459.521 4.307 20 0 JIADRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3sc(-c4cnn(C)c4)nc3C)n2)c(F)c1 ZINC001356411937 1067746018 /nfs/dbraw/zinc/74/60/18/1067746018.db2.gz FEWYEMBYDWGCOJ-UHFFFAOYSA-N 0 0 456.528 4.325 20 0 JIADRN COc1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC001356410717 1067746175 /nfs/dbraw/zinc/74/61/75/1067746175.db2.gz CVXBMZQWMXZRFG-UHFFFAOYSA-N 0 0 458.624 4.276 20 0 JIADRN COC[C@@H]1CN(C(=S)Nc2ccc(C)cc2Br)Cc2cn(CC3CCOCC3)nc21 ZINC001200143908 1067747700 /nfs/dbraw/zinc/74/77/00/1067747700.db2.gz FHQIGFWOXHYKQM-SFHVURJKSA-N 0 0 493.471 4.323 20 0 JIADRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](OC)c2ccc(Br)s2)c1 ZINC001356418988 1067747629 /nfs/dbraw/zinc/74/76/29/1067747629.db2.gz KDZBVXSHASDYET-QFBILLFUSA-N 0 0 454.386 4.415 20 0 JIADRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)c1 ZINC001356421794 1067748802 /nfs/dbraw/zinc/74/88/02/1067748802.db2.gz PUQALNFZGBDQFO-AWEZNQCLSA-N 0 0 459.930 4.087 20 0 JIADRN Cc1c(C(=O)Oc2ccccc2I)nnn1-c1ccc(F)c(Cl)c1 ZINC001356426176 1067749177 /nfs/dbraw/zinc/74/91/77/1067749177.db2.gz TXXIUJSAFDEDMV-UHFFFAOYSA-N 0 0 457.630 4.192 20 0 JIADRN CCCN(C(=O)c1ccc(F)c(I)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001356431812 1067750040 /nfs/dbraw/zinc/75/00/40/1067750040.db2.gz DSLCWEYPTXQNOE-ZDUSSCGKSA-N 0 0 454.283 4.310 20 0 JIADRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001356431988 1067750131 /nfs/dbraw/zinc/75/01/31/1067750131.db2.gz PTOFAJWNXZMHNT-UHFFFAOYSA-N 0 0 452.433 4.336 20 0 JIADRN COc1ccc(CCc2nnc(N3CCOC4(CCCCC4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300125584 1067751010 /nfs/dbraw/zinc/75/10/10/1067751010.db2.gz HMUSQPNWFXSVRJ-UMSFTDKQSA-N 0 0 488.698 4.159 20 0 JIADRN COc1ccc(CCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](C)c2c(C)noc2C)cc1 ZINC001300125656 1067751028 /nfs/dbraw/zinc/75/10/28/1067751028.db2.gz JKOLHMQGNBXZLH-FXAWDEMLSA-N 0 0 467.614 4.484 20 0 JIADRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC001356435500 1067751023 /nfs/dbraw/zinc/75/10/23/1067751023.db2.gz HWLUTCZFYBMGMF-LADGPHEKSA-N 0 0 450.579 4.274 20 0 JIADRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Cc1csc(COc2ccccc2)n1 ZINC001356435548 1067751068 /nfs/dbraw/zinc/75/10/68/1067751068.db2.gz JIHYYDZFZWYVNG-QFIPXVFZSA-N 0 0 452.576 4.481 20 0 JIADRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 ZINC001356435172 1067751092 /nfs/dbraw/zinc/75/10/92/1067751092.db2.gz DFSWJHRWENCYNM-DEOSSOPVSA-N 0 0 459.546 4.093 20 0 JIADRN CCN(CC)C(=O)c1cccnc1N1CCN(C(=S)Nc2ccc(C)cc2Br)CC1 ZINC001200145720 1067751148 /nfs/dbraw/zinc/75/11/48/1067751148.db2.gz RVMWDWSSZMNTRH-UHFFFAOYSA-N 0 0 490.471 4.154 20 0 JIADRN COc1ccc(CCc2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCCC(C)(C)C)cc1 ZINC001300125959 1067751677 /nfs/dbraw/zinc/75/16/77/1067751677.db2.gz NWSAVDXHXMMJQU-GOTSBHOMSA-N 0 0 456.631 4.282 20 0 JIADRN COc1ccc(CCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(Br)c1 ZINC001356441888 1067752844 /nfs/dbraw/zinc/75/28/44/1067752844.db2.gz BBOTZPNJBHHWGY-UHFFFAOYSA-N 0 0 459.384 4.333 20 0 JIADRN COc1ccc(CCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H]2CCCSC2)cc1 ZINC001300126147 1067752871 /nfs/dbraw/zinc/75/28/71/1067752871.db2.gz BJXDUZZELSMBBS-QUCCMNQESA-N 0 0 497.631 4.288 20 0 JIADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)Cc3cnn4c3CCCC4)cc2Cl)n1 ZINC001356443816 1067753258 /nfs/dbraw/zinc/75/32/58/1067753258.db2.gz NBFYFYODTROXKF-INIZCTEOSA-N 0 0 454.962 4.067 20 0 JIADRN CC[C@H](C)c1nc(C)c(CC(=O)Nc2c(C)cnn2Cc2ccc(OC)c(OC)c2)c(C)n1 ZINC001356452029 1067755055 /nfs/dbraw/zinc/75/50/55/1067755055.db2.gz SGLSGEGVESULOV-HNNXBMFYSA-N 0 0 451.571 4.359 20 0 JIADRN COc1ccc(Cn2ncc(C)c2NC(=O)C(F)(F)c2cnc(Cl)c(C)c2)cc1OC ZINC001356451663 1067755146 /nfs/dbraw/zinc/75/51/46/1067755146.db2.gz MVPADAGOOPRJPF-UHFFFAOYSA-N 0 0 450.873 4.344 20 0 JIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=S)Nc2ccc(C)cc2Br)cs1 ZINC001200146688 1067755187 /nfs/dbraw/zinc/75/51/87/1067755187.db2.gz WADAYFPYOWCAFP-QZTJIDSGSA-N 0 0 479.469 4.485 20 0 JIADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)C[C@@H]3Cc4ccccc4O3)cc2)c1C(F)(F)F ZINC001356452100 1067755343 /nfs/dbraw/zinc/75/53/43/1067755343.db2.gz IZNJYLJQOPFXKL-KRWDZBQOSA-N 0 0 459.424 4.400 20 0 JIADRN CN(Cc1cccc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)c1)C(=O)C(F)(F)F ZINC001356452635 1067755639 /nfs/dbraw/zinc/75/56/39/1067755639.db2.gz MJRNSSPMZRTWIJ-UHFFFAOYSA-N 0 0 457.452 4.363 20 0 JIADRN CCOC(=O)CN(CC(F)(F)F)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001356457460 1067756223 /nfs/dbraw/zinc/75/62/23/1067756223.db2.gz DMEJWQKXNHQPPJ-UHFFFAOYSA-N 0 0 455.216 4.128 20 0 JIADRN Cc1ccc(NC(=S)N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)c(Br)c1 ZINC001200146870 1067756732 /nfs/dbraw/zinc/75/67/32/1067756732.db2.gz GBZIXUANXOCJFX-NRFANRHFSA-N 0 0 494.434 4.002 20 0 JIADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(F)(F)c2ccc(Br)cc2)cc1 ZINC001352837575 1067757240 /nfs/dbraw/zinc/75/72/40/1067757240.db2.gz OIEKGZNEQUKXQW-INIZCTEOSA-N 0 0 455.324 4.390 20 0 JIADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC001356467504 1067758371 /nfs/dbraw/zinc/75/83/71/1067758371.db2.gz JEZXFPMRAPEHIE-HNNXBMFYSA-N 0 0 456.530 4.277 20 0 JIADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC001356471476 1067759221 /nfs/dbraw/zinc/75/92/21/1067759221.db2.gz SEBIBKZXWYIMAA-MWTRTKDXSA-N 0 0 451.546 4.451 20 0 JIADRN C[C@@H](C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC001356472032 1067759245 /nfs/dbraw/zinc/75/92/45/1067759245.db2.gz ZSRBLQJBNIQXOE-OAHLLOKOSA-N 0 0 451.523 4.439 20 0 JIADRN CCCS(=O)(=O)Nc1cccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1C ZINC001356474331 1067759549 /nfs/dbraw/zinc/75/95/49/1067759549.db2.gz OIWADALZMVAIAG-UHFFFAOYSA-N 0 0 455.001 4.355 20 0 JIADRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001356473804 1067759642 /nfs/dbraw/zinc/75/96/42/1067759642.db2.gz GAQNQOLTPNRGDQ-UHFFFAOYSA-N 0 0 457.368 4.162 20 0 JIADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)nc(C(C)C)n1 ZINC001356474730 1067759650 /nfs/dbraw/zinc/75/96/50/1067759650.db2.gz ULJBPZBFOLUWCC-INIZCTEOSA-N 0 0 459.388 4.470 20 0 JIADRN COCCOc1c(Cl)cccc1NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001356474154 1067759712 /nfs/dbraw/zinc/75/97/12/1067759712.db2.gz HRSSAWLKBXYRPB-GOSISDBHSA-N 0 0 450.919 4.431 20 0 JIADRN Cc1cc(Br)ccc1OC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001356480642 1067760706 /nfs/dbraw/zinc/76/07/06/1067760706.db2.gz AASIWLIXOKNHES-OXQOHEQNSA-N 0 0 450.329 4.393 20 0 JIADRN COc1ccc(CCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2c(C)nn(C)c2C)cc1 ZINC001300128215 1067760827 /nfs/dbraw/zinc/76/08/27/1067760827.db2.gz KLHRHLUFUFHANI-QVKFZJNVSA-N 0 0 476.547 4.105 20 0 JIADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Oc1cc(Br)ccc1Cl ZINC001356481792 1067761026 /nfs/dbraw/zinc/76/10/26/1067761026.db2.gz MDXRGGIHRYPHJY-QGZVFWFLSA-N 0 0 453.695 4.376 20 0 JIADRN 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COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(Cl)=C(Cl)C2)c(OC)c1OC ZINC001315487654 1064362758 /nfs/dbraw/zinc/36/27/58/1064362758.db2.gz IDQAKNVFDFTFGH-UHFFFAOYSA-N 0 0 478.380 4.257 20 0 JIADRN COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(CCCO)CC2)c(C(F)(F)F)c1 ZINC001315488555 1064365752 /nfs/dbraw/zinc/36/57/52/1064365752.db2.gz WEDFNXLOLPYRDA-UHFFFAOYSA-N 0 0 477.531 4.348 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)OC(C)(C)C2)c(OC)n1 ZINC001315489439 1064369639 /nfs/dbraw/zinc/36/96/39/1064369639.db2.gz LTTNBUPMXUCNPT-SJORKVTESA-N 0 0 485.560 4.021 20 0 JIADRN COc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cscn2)c(OC)n1 ZINC001315489433 1064369656 /nfs/dbraw/zinc/36/96/56/1064369656.db2.gz YVDGXNACTFQKAK-UHFFFAOYSA-N 0 0 456.959 4.152 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](COC(C)C)C2)cn1 ZINC001315489733 1064370267 /nfs/dbraw/zinc/37/02/67/1064370267.db2.gz RWJSJULOEJCMTC-SFHVURJKSA-N 0 0 492.407 4.334 20 0 JIADRN COc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2cscn2)c(OC)n1 ZINC001315490018 1064371946 /nfs/dbraw/zinc/37/19/46/1064371946.db2.gz QHBRMCOALUNJEO-HNNXBMFYSA-N 0 0 484.557 4.111 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@@H](OC)C2)c(OC)n1 ZINC001315489951 1064371992 /nfs/dbraw/zinc/37/19/92/1064371992.db2.gz PDBSBMYNMSFWAU-TZIWHRDSSA-N 0 0 481.597 4.111 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ncc(Cl)n2C)cc1Br ZINC001315490686 1064373596 /nfs/dbraw/zinc/37/35/96/1064373596.db2.gz BQEYXQMZSCPIAD-UHFFFAOYSA-N 0 0 490.793 4.116 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H]2CSC)cn1 ZINC001315490530 1064373530 /nfs/dbraw/zinc/37/35/30/1064373530.db2.gz UKCLRPKNRFADQF-VQIMIIECSA-N 0 0 457.575 4.341 20 0 JIADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(CCNC(C)=O)Cc2ccc(C)s2)cc1Cl ZINC001315491545 1064376463 /nfs/dbraw/zinc/37/64/63/1064376463.db2.gz JISYHMSUXUGPNJ-UHFFFAOYSA-N 0 0 499.040 4.496 20 0 JIADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(C)=C(Br)C2)cc1OC ZINC001315491484 1064376528 /nfs/dbraw/zinc/37/65/28/1064376528.db2.gz IAQGBZHSCQXNNE-UHFFFAOYSA-N 0 0 470.371 4.285 20 0 JIADRN COc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c(OC)n1 ZINC001315492318 1064377892 /nfs/dbraw/zinc/37/78/92/1064377892.db2.gz YJOMYSXNYAZQQW-RUZDIDTESA-N 0 0 469.561 4.186 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1Cl ZINC001315492897 1064379258 /nfs/dbraw/zinc/37/92/58/1064379258.db2.gz HVWYHCNFEZXJQE-UHFFFAOYSA-N 0 0 462.038 4.193 20 0 JIADRN COc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cn1 ZINC001315493036 1064380128 /nfs/dbraw/zinc/38/01/28/1064380128.db2.gz MVFHLFWHAODUOC-UHFFFAOYSA-N 0 0 470.618 4.271 20 0 JIADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)F)CC2)cc1Br ZINC001315493164 1064380200 /nfs/dbraw/zinc/38/02/00/1064380200.db2.gz REQHXZTZZBTLRN-UHFFFAOYSA-N 0 0 488.352 4.049 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC001315494375 1064383725 /nfs/dbraw/zinc/38/37/25/1064383725.db2.gz JOWCECIQQQOJKR-SJLPKXTDSA-N 0 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COc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CCCC2)cc1 ZINC001315497904 1064391672 /nfs/dbraw/zinc/39/16/72/1064391672.db2.gz QOGLASVTVSRWKK-QFIPXVFZSA-N 0 0 485.629 4.270 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC001315497812 1064391929 /nfs/dbraw/zinc/39/19/29/1064391929.db2.gz CJGUQTPTLHUXKV-OAHLLOKOSA-N 0 0 467.536 4.034 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(F)c1 ZINC001315499598 1064396955 /nfs/dbraw/zinc/39/69/55/1064396955.db2.gz SABHPIZIAJJAEF-SFHVURJKSA-N 0 0 473.637 4.440 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H]2[C@H]2CCCO2)cc1Br ZINC001315499535 1064397153 /nfs/dbraw/zinc/39/71/53/1064397153.db2.gz BJCLKFLVYHQKBM-UYAOXDASSA-N 0 0 463.420 4.444 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cncn3)C2)cc1Br ZINC001315499723 1064397809 /nfs/dbraw/zinc/39/78/09/1064397809.db2.gz VDQOVOHMUCAZSM-QGZVFWFLSA-N 0 0 488.434 4.119 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1F ZINC001315499887 1064397871 /nfs/dbraw/zinc/39/78/71/1064397871.db2.gz DOFLOLBYKDZJBD-FQEVSTJZSA-N 0 0 480.588 4.231 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2ccc(Br)s2)cn1 ZINC001315499650 1064397901 /nfs/dbraw/zinc/39/79/01/1064397901.db2.gz SNWYELYMFYPEBW-UHFFFAOYSA-N 0 0 450.406 4.389 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)cc1OC ZINC001315500090 1064399456 /nfs/dbraw/zinc/39/94/56/1064399456.db2.gz WRWQHKVYBYFMKH-UHFFFAOYSA-N 0 0 469.552 4.007 20 0 JIADRN COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H]2CC=CCC2)c(OC)n1 ZINC001315500444 1064400423 /nfs/dbraw/zinc/40/04/23/1064400423.db2.gz WJZBBUNQUMGCMH-KRWDZBQOSA-N 0 0 469.536 4.400 20 0 JIADRN COc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H]2C(C)C)c(OC)n1 ZINC001315500476 1064400438 /nfs/dbraw/zinc/40/04/38/1064400438.db2.gz WTQYZQWTHIFKGS-FQEVSTJZSA-N 0 0 457.525 4.232 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(OC)CC2)cc1OC(F)F ZINC001315501307 1064402756 /nfs/dbraw/zinc/40/27/56/1064402756.db2.gz NMZJHSIZFOWYOE-VWLOTQADSA-N 0 0 487.551 4.318 20 0 JIADRN COc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2c(C)noc2C)cc1OC(F)F ZINC001315501991 1064404359 /nfs/dbraw/zinc/40/43/59/1064404359.db2.gz YANPMKFPOCUSMG-UHFFFAOYSA-N 0 0 484.507 4.163 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1F ZINC001315501835 1064404443 /nfs/dbraw/zinc/40/44/43/1064404443.db2.gz DNQGWFHZNWOIHG-UHFFFAOYSA-N 0 0 456.484 4.100 20 0 JIADRN COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1Cl ZINC001315502320 1064405248 /nfs/dbraw/zinc/40/52/48/1064405248.db2.gz RFHHMOQJIUZJGC-SFHVURJKSA-N 0 0 474.049 4.414 20 0 JIADRN COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccco2)cc1Br ZINC001315502521 1064406142 /nfs/dbraw/zinc/40/61/42/1064406142.db2.gz YRGFMSYTMVNZAA-OAHLLOKOSA-N 0 0 488.386 4.010 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2CC[C@H](OCC(C)C)C2)cc1Br ZINC001315502952 1064407426 /nfs/dbraw/zinc/40/74/26/1064407426.db2.gz HAEMUNKZOITICQ-SFHVURJKSA-N 0 0 463.420 4.301 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCS[C@@H](C)[C@H]2C)cc1Cl ZINC001315503200 1064408371 /nfs/dbraw/zinc/40/83/71/1064408371.db2.gz AIZYWGXQVJVAJG-SJORKVTESA-N 0 0 461.035 4.180 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1F ZINC001315503402 1064409149 /nfs/dbraw/zinc/40/91/49/1064409149.db2.gz MQFBSIFKKCNHSF-UHFFFAOYSA-N 0 0 473.593 4.310 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)c2nccs2)cc1F ZINC001315504249 1064413618 /nfs/dbraw/zinc/41/36/18/1064413618.db2.gz ODLGGIRPLHHOMZ-HNNXBMFYSA-N 0 0 469.590 4.032 20 0 JIADRN COc1ccc(COCCCn2c(C(=O)NC(C)C)nnc2N2C[C@H]3CCCCCC[C@H]32)cc1 ZINC001315504396 1064414580 /nfs/dbraw/zinc/41/45/80/1064414580.db2.gz BBXXGARLLVRSLE-FYYLOGMGSA-N 0 0 469.630 4.191 20 0 JIADRN COc1ccc(Cn2c(N(C)Cc3ccsc3)nnc2[C@@]2(OC(C)C)CCOC2)cc1F ZINC001315504760 1064416532 /nfs/dbraw/zinc/41/65/32/1064416532.db2.gz CRFNQULJOQGXJK-HSZRJFAPSA-N 0 0 460.575 4.213 20 0 JIADRN COc1ccc(Cn2c(N(C)Cc3cc(C)cs3)nnc2[C@@]2(OC(C)C)CCOC2)cc1O ZINC001315504749 1064416553 /nfs/dbraw/zinc/41/65/53/1064416553.db2.gz CMPRWKSRZPKASS-XMMPIXPASA-N 0 0 472.611 4.088 20 0 JIADRN COc1ccc(COCCCn2c(C)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001315505214 1064418539 /nfs/dbraw/zinc/41/85/39/1064418539.db2.gz ORMDEXPVMLFJCL-QFIPXVFZSA-N 0 0 487.645 4.285 20 0 JIADRN COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccco2)cc1OC(F)F ZINC001315505760 1064420498 /nfs/dbraw/zinc/42/04/98/1064420498.db2.gz YVKKXCAVAULZKJ-UHFFFAOYSA-N 0 0 472.496 4.027 20 0 JIADRN COc1ccc(Cn2c(N(C)Cc3ccc(C)o3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 ZINC001315507198 1064426866 /nfs/dbraw/zinc/42/68/66/1064426866.db2.gz YLWHSJXUXSCTDZ-DEOSSOPVSA-N 0 0 458.534 4.053 20 0 JIADRN COc1ccc(Cn2c(N(C)C[C@@H]3CC=CCC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1F ZINC001315507364 1064427568 /nfs/dbraw/zinc/42/75/68/1064427568.db2.gz ZZYMZXQWEIGSFM-KBMIEXCESA-N 0 0 458.578 4.307 20 0 JIADRN 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PYZGRMWXXKLZNY-LJQANCHMSA-N 0 0 486.661 4.140 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)n1 ZINC001492512362 1066350534 /nfs/dbraw/zinc/35/05/34/1066350534.db2.gz FXAIIBADPUYHJV-ACRUOGEOSA-N 0 0 484.645 4.347 20 0 JIADRN O=C(c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)N1CCC2(CC(=O)N2)CC1 ZINC001330503364 1066350628 /nfs/dbraw/zinc/35/06/28/1066350628.db2.gz IRRYZMZVUAWTCI-UHFFFAOYSA-N 0 0 482.656 4.450 20 0 JIADRN CSCCCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001316459070 1066351161 /nfs/dbraw/zinc/35/11/61/1066351161.db2.gz NYMQYNLGSIGGSJ-UHFFFAOYSA-N 0 0 470.668 4.252 20 0 JIADRN CSCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001316459310 1066351879 /nfs/dbraw/zinc/35/18/79/1066351879.db2.gz JFPXNQFTZICVCS-SFHVURJKSA-N 0 0 477.650 4.395 20 0 JIADRN CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001316459370 1066351967 /nfs/dbraw/zinc/35/19/67/1066351967.db2.gz KKOAYIBCFYYVKU-UHFFFAOYSA-N 0 0 491.463 4.050 20 0 JIADRN CSCCCCn1c(-c2ccccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001316459509 1066352151 /nfs/dbraw/zinc/35/21/51/1066352151.db2.gz XIMPSHOUCJKPDW-UHFFFAOYSA-N 0 0 462.664 4.231 20 0 JIADRN CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001316459552 1066352646 /nfs/dbraw/zinc/35/26/46/1066352646.db2.gz WXYKXQSAAGNMOF-AWEZNQCLSA-N 0 0 490.621 4.419 20 0 JIADRN CSCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001316459734 1066352816 /nfs/dbraw/zinc/35/28/16/1066352816.db2.gz NSZIVCQLENOYGP-MSOLQXFVSA-N 0 0 484.663 4.104 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)n1 ZINC001492513697 1066353460 /nfs/dbraw/zinc/35/34/60/1066353460.db2.gz JUWYOPDQGKFVMJ-DYESRHJHSA-N 0 0 490.505 4.362 20 0 JIADRN CSCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001316460304 1066354762 /nfs/dbraw/zinc/35/47/62/1066354762.db2.gz XHZRJISGEOZNSP-QZTJIDSGSA-N 0 0 459.595 4.133 20 0 JIADRN C[C@H]1CN(Cc2csc(NC(=O)N3CCc4cc(Br)ccc43)n2)C[C@H](C)O1 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Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC001492526843 1066417296 /nfs/dbraw/zinc/41/72/96/1066417296.db2.gz NHIWSFZPLUNFGU-UHFFFAOYSA-N 0 0 466.674 4.432 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2CCCCO2)CCN1C(=O)OC(C)(C)C ZINC001316489106 1066419213 /nfs/dbraw/zinc/41/92/13/1066419213.db2.gz GVKUPCGJEUOLAU-QHAWAJNXSA-N 0 0 477.650 4.315 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)c2ccccn2)CCN1C(=O)OC(C)(C)C ZINC001316489331 1066420009 /nfs/dbraw/zinc/42/00/09/1066420009.db2.gz MFZACRZAYBEKHH-UXHICEINSA-N 0 0 484.645 4.338 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001316489351 1066420366 /nfs/dbraw/zinc/42/03/66/1066420366.db2.gz MRDAEIPZOPNQFC-XXLATIFVSA-N 0 0 456.484 4.201 20 0 JIADRN Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)n1 ZINC001492527143 1066420265 /nfs/dbraw/zinc/42/02/65/1066420265.db2.gz WUMJHHRPKSSQPD-UHFFFAOYSA-N 0 0 497.043 4.151 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)C[C@H]1C(F)(F)F ZINC001316489171 1066420482 /nfs/dbraw/zinc/42/04/82/1066420482.db2.gz IDDCGIVCUZOQCS-NXHRZFHOSA-N 0 0 451.493 4.183 20 0 JIADRN C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccsc2)CCN1C(=O)OC(C)(C)C ZINC001316490036 1066422981 /nfs/dbraw/zinc/42/29/81/1066422981.db2.gz WMCGBGRBKKOOFP-IEBWSBKVSA-N 0 0 461.632 4.270 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CCN1C(=O)OC(C)(C)C ZINC001316490126 1066423142 /nfs/dbraw/zinc/42/31/42/1066423142.db2.gz NUPQUXCZJIGTDL-WIYYLYMNSA-N 0 0 488.032 4.313 20 0 JIADRN Cc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)c1 ZINC001492527615 1066423620 /nfs/dbraw/zinc/42/36/20/1066423620.db2.gz NHMGNQLBGUSLTO-UHFFFAOYSA-N 0 0 456.472 4.175 20 0 JIADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCSC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001316490459 1066423830 /nfs/dbraw/zinc/42/38/30/1066423830.db2.gz WFWFMWKHTNQILT-RTBURBONSA-N 0 0 486.686 4.241 20 0 JIADRN 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CCCNC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC001336203320 1066433426 /nfs/dbraw/zinc/43/34/26/1066433426.db2.gz UKEUABVQVKLIIQ-CQUHBBLWSA-N 0 0 457.530 4.095 20 0 JIADRN CCCNC(=O)[C@@H](C)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC001336203321 1066433882 /nfs/dbraw/zinc/43/38/82/1066433882.db2.gz UKEUABVQVKLIIQ-OKSBFYSISA-N 0 0 457.530 4.095 20 0 JIADRN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001316492962 1066434135 /nfs/dbraw/zinc/43/41/35/1066434135.db2.gz XASDXUJELROMIN-SQQWTURASA-N 0 0 478.625 4.379 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC001316493043 1066434187 /nfs/dbraw/zinc/43/41/87/1066434187.db2.gz AGDVDIRRFZEEMD-OWCLPIDISA-N 0 0 457.928 4.096 20 0 JIADRN C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC001316493044 1066434212 /nfs/dbraw/zinc/43/42/12/1066434212.db2.gz AGDVDIRRFZEEMD-XHSDSOJGSA-N 0 0 457.928 4.096 20 0 JIADRN 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1067571846 /nfs/dbraw/zinc/57/18/46/1067571846.db2.gz PPBKVZKWCAGYPH-UHFFFAOYSA-N 0 0 477.546 4.488 20 0 JIADRN COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001300063402 1067572773 /nfs/dbraw/zinc/57/27/73/1067572773.db2.gz QYNMIWNKIUJJAQ-RTBURBONSA-N 0 0 473.618 4.072 20 0 JIADRN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(Br)cn2ccnc12 ZINC001355754621 1067573811 /nfs/dbraw/zinc/57/38/11/1067573811.db2.gz HPBKYDKPYRODGJ-UHFFFAOYSA-N 0 0 457.715 4.213 20 0 JIADRN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001355755619 1067574446 /nfs/dbraw/zinc/57/44/46/1067574446.db2.gz RSUATGZPYSJRCF-UHFFFAOYSA-N 0 0 456.951 4.129 20 0 JIADRN Cc1ccc(C(F)(F)C(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC001355756072 1067574750 /nfs/dbraw/zinc/57/47/50/1067574750.db2.gz ZFXORGKUXRADSX-UHFFFAOYSA-N 0 0 454.496 4.264 20 0 JIADRN COc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2Cc2csc(C)c2)c(OC)c1 ZINC001300064024 1067575094 /nfs/dbraw/zinc/57/50/94/1067575094.db2.gz 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JIADRN O=C(NCc1ccccc1F)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1 ZINC001355772364 1067578587 /nfs/dbraw/zinc/57/85/87/1067578587.db2.gz UOVKOWGUAAKLHG-VWLOTQADSA-N 0 0 459.521 4.448 20 0 JIADRN CCc1c(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)nnn1-c1cccc(Cl)c1 ZINC001355776491 1067579681 /nfs/dbraw/zinc/57/96/81/1067579681.db2.gz PNZSJESDBXNYBG-UHFFFAOYSA-N 0 0 457.987 4.411 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCc2csc(C(C)C)n2)cc1 ZINC001300066049 1067579633 /nfs/dbraw/zinc/57/96/33/1067579633.db2.gz XYCUMOFTGVQXLD-UHFFFAOYSA-N 0 0 482.654 4.081 20 0 JIADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C(C)C)C3(CO)CCCC3)c2)cc1 ZINC001300066010 1067579709 /nfs/dbraw/zinc/57/97/09/1067579709.db2.gz IYYRSABPGPYYKW-HSZRJFAPSA-N 0 0 458.624 4.127 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2CCC(C)(F)F)cc1OC ZINC001300066482 1067580742 /nfs/dbraw/zinc/58/07/42/1067580742.db2.gz CVUQRHPZAVJLKW-UHFFFAOYSA-N 0 0 491.583 4.379 20 0 JIADRN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nn1 ZINC001355788413 1067581122 /nfs/dbraw/zinc/58/11/22/1067581122.db2.gz BBBWODMSZLHUHI-UHFFFAOYSA-N 0 0 451.474 4.212 20 0 JIADRN COc1ccc(C(=O)CCC(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)cc1OC ZINC001300066627 1067581138 /nfs/dbraw/zinc/58/11/38/1067581138.db2.gz XLKISEGZWVGLMK-XMMPIXPASA-N 0 0 453.535 4.020 20 0 JIADRN COC1(OC)CC2(CN(C(=O)[C@@H](C)c3ccc(I)cc3)[C@@H]2C(C)C)C1 ZINC001300066525 1067581237 /nfs/dbraw/zinc/58/12/37/1067581237.db2.gz NLIVXGXTLIIVNF-WMLDXEAASA-N 0 0 457.352 4.031 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCC[C@@H]2OC)cc1 ZINC001300066729 1067581671 /nfs/dbraw/zinc/58/16/71/1067581671.db2.gz FKYQGLZIECPETC-DWLFOUALSA-N 0 0 485.629 4.214 20 0 JIADRN NC(=O)C[C@@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc(Cl)c1 ZINC001355793776 1067581710 /nfs/dbraw/zinc/58/17/10/1067581710.db2.gz HDHNLSFTHVLMML-WIYYLYMNSA-N 0 0 454.876 4.041 20 0 JIADRN CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc(Br)n(C)n1 ZINC001355792492 1067581781 /nfs/dbraw/zinc/58/17/81/1067581781.db2.gz JKSFPPHYGNLVMF-UHFFFAOYSA-N 0 0 456.369 4.369 20 0 JIADRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001355806368 1067583845 /nfs/dbraw/zinc/58/38/45/1067583845.db2.gz UJFJXCZLFRVCTP-CQSZACIVSA-N 0 0 458.419 4.444 20 0 JIADRN O=C(CNC(=O)c1cnc(-c2ccccc2Br)s1)Nc1ccc(F)c(F)c1 ZINC001352618084 1067584099 /nfs/dbraw/zinc/58/40/99/1067584099.db2.gz FPKONHNGOVGCEU-UHFFFAOYSA-N 0 0 452.280 4.219 20 0 JIADRN COC(=O)C[C@H](NC(=O)[C@@H](C)[C@H]1OCCc2sccc21)c1ccc(OC(F)(F)F)cc1 ZINC001355815179 1067585280 /nfs/dbraw/zinc/58/52/80/1067585280.db2.gz FGLIKGLMEPQIIR-XGINMYPSSA-N 0 0 457.470 4.317 20 0 JIADRN O=C(N=c1sccn1Cc1ccccc1F)c1ccc(F)c(I)c1 ZINC001355818780 1067586493 /nfs/dbraw/zinc/58/64/93/1067586493.db2.gz PHGIOLQWZNPVJZ-UHFFFAOYSA-N 0 0 456.255 4.222 20 0 JIADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC001355819871 1067586931 /nfs/dbraw/zinc/58/69/31/1067586931.db2.gz OPKGHPLGIBHPTC-CQSZACIVSA-N 0 0 454.386 4.439 20 0 JIADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC001355819870 1067587068 /nfs/dbraw/zinc/58/70/68/1067587068.db2.gz OPKGHPLGIBHPTC-AWEZNQCLSA-N 0 0 454.386 4.439 20 0 JIADRN COc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCCSC)cc1OC ZINC001300068635 1067587449 /nfs/dbraw/zinc/58/74/49/1067587449.db2.gz PMLHBXWYKXBWDP-INIZCTEOSA-N 0 0 487.592 4.178 20 0 JIADRN COc1ccc(CCNC(=S)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1OC ZINC001200089662 1067587881 /nfs/dbraw/zinc/58/78/81/1067587881.db2.gz UJEHEAGHIPFHDX-UHFFFAOYSA-N 0 0 495.567 4.034 20 0 JIADRN COCc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001355828960 1067588469 /nfs/dbraw/zinc/58/84/69/1067588469.db2.gz GULBKLOGYZBEMM-IYBDPMFKSA-N 0 0 450.988 4.405 20 0 JIADRN CN(C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cc1)C1CCCCC1 ZINC001355829832 1067589014 /nfs/dbraw/zinc/58/90/14/1067589014.db2.gz KTNSBVQJAWXVJV-LADGPHEKSA-N 0 0 451.542 4.389 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(c4nc(C)cs4)CC3)n2CC[C@H](OC)C(F)(F)F)cc1 ZINC001300069412 1067589065 /nfs/dbraw/zinc/58/90/65/1067589065.db2.gz PYXUVQPXKSYTBW-SFHVURJKSA-N 0 0 496.559 4.013 20 0 JIADRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(CC2CC2)C(C)C)c(C)c1 ZINC001355831966 1067589494 /nfs/dbraw/zinc/58/94/94/1067589494.db2.gz VNTGENYFRQQVSZ-UHFFFAOYSA-N 0 0 456.652 4.492 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CO[C@H]1CCCc2ccccc21 ZINC001352626775 1067589637 /nfs/dbraw/zinc/58/96/37/1067589637.db2.gz OGTTVZUEJGCCOP-DEOSSOPVSA-N 0 0 456.608 4.091 20 0 JIADRN Cn1nc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c(Br)c1C(F)(F)F ZINC001355836128 1067589654 /nfs/dbraw/zinc/58/96/54/1067589654.db2.gz AYTRLWGVKWCWBP-JTQLQIEISA-N 0 0 452.296 4.084 20 0 JIADRN CCN(CC)C(=O)COc1cccc(NC(=O)Cc2c(F)ccc(Br)c2F)c1 ZINC001355840035 1067590153 /nfs/dbraw/zinc/59/01/53/1067590153.db2.gz KDMKXPDXTQDPOJ-UHFFFAOYSA-N 0 0 455.299 4.156 20 0 JIADRN COC[C@]1(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCN(C(=O)OC(C)(C)C)C1 ZINC001355839291 1067590223 /nfs/dbraw/zinc/59/02/23/1067590223.db2.gz DOLNSVNRBXPTQS-QFIPXVFZSA-N 0 0 451.470 4.048 20 0 JIADRN CC(C)C[C@H](C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)N1Cc2ccccc2C1=O ZINC001300070247 1067590624 /nfs/dbraw/zinc/59/06/24/1067590624.db2.gz GFQRJDJFNFKJLW-NJYVYQBISA-N 0 0 455.599 4.009 20 0 JIADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC001355840924 1067590753 /nfs/dbraw/zinc/59/07/53/1067590753.db2.gz WEODVEIVGZJKLH-MCMMXHMISA-N 0 0 451.470 4.189 20 0 JIADRN Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001355847529 1067591205 /nfs/dbraw/zinc/59/12/05/1067591205.db2.gz CBESMYAUDSQLNM-UHFFFAOYSA-N 0 0 459.369 4.365 20 0 JIADRN Cc1ccc(C(=O)N(C)c2ccc(OC(=O)Cc3cc[nH]c(=O)c3Br)cc2)cc1 ZINC001355844723 1067591256 /nfs/dbraw/zinc/59/12/56/1067591256.db2.gz DSAIIEQJPHVLNK-UHFFFAOYSA-N 0 0 455.308 4.283 20 0 JIADRN COc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(OC(F)F)c1 ZINC001352630882 1067591705 /nfs/dbraw/zinc/59/17/05/1067591705.db2.gz CWRMPXZYCZLKEI-UHFFFAOYSA-N 0 0 459.276 4.202 20 0 JIADRN O=C(CNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)Nc1ccc(F)c(F)c1 ZINC001352631859 1067592386 /nfs/dbraw/zinc/59/23/86/1067592386.db2.gz UFEODXSHIKYBTE-UHFFFAOYSA-N 0 0 456.232 4.207 20 0 JIADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cn(-c2ccc(OC)cc2)nn1 ZINC001352631894 1067592788 /nfs/dbraw/zinc/59/27/88/1067592788.db2.gz VXPFIXFPWCPZSE-UHFFFAOYSA-N 0 0 452.902 4.032 20 0 JIADRN Cc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c(N2CCOCC2)c1 ZINC001355859285 1067593014 /nfs/dbraw/zinc/59/30/14/1067593014.db2.gz OPOBWXSIPVCXBN-VXKWHMMOSA-N 0 0 459.631 4.312 20 0 JIADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001352633292 1067593880 /nfs/dbraw/zinc/59/38/80/1067593880.db2.gz SJCUVGBSAXLIDI-UHFFFAOYSA-N 0 0 450.495 4.392 20 0 JIADRN CCCc1c(C(=O)Nc2cccc(N3CCOCC3)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001352633339 1067593923 /nfs/dbraw/zinc/59/39/23/1067593923.db2.gz UAXSQPNMXRZDJT-UHFFFAOYSA-N 0 0 456.493 4.201 20 0 JIADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H]3CCO[C@H]3c3ccncc3)c2)c1C(F)(F)F ZINC001355862804 1067594102 /nfs/dbraw/zinc/59/41/02/1067594102.db2.gz CRKLLZMLVIIDIW-MJGOQNOKSA-N 0 0 474.439 4.179 20 0 JIADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)[C@@H]1CSCC(=O)N1 ZINC001352634782 1067594393 /nfs/dbraw/zinc/59/43/93/1067594393.db2.gz OCUMBUCHQNCWMK-ZDUSSCGKSA-N 0 0 459.376 4.069 20 0 JIADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2nnc(-c3ccccn3)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001355868747 1067595058 /nfs/dbraw/zinc/59/50/58/1067595058.db2.gz LOTQCKSMDSLVLM-SCLBCKFNSA-N 0 0 459.934 4.329 20 0 JIADRN CN(C(=O)COC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)[C@@H]1CCCc2ccccc21 ZINC001355870867 1067595774 /nfs/dbraw/zinc/59/57/74/1067595774.db2.gz YPTQKTMWJJNMEP-JOCHJYFZSA-N 0 0 452.551 4.404 20 0 JIADRN COc1ccc(CCNC(=S)NCc2coc(-c3cccc(Br)c3)n2)cc1OC ZINC001200093940 1067596450 /nfs/dbraw/zinc/59/64/50/1067596450.db2.gz YEZRYXDQUVXHHR-UHFFFAOYSA-N 0 0 476.396 4.328 20 0 JIADRN Cc1ccc(-c2nnc(NC(=O)c3cnnn3-c3ccccc3Br)s2)c(C)c1 ZINC001355881382 1067597385 /nfs/dbraw/zinc/59/73/85/1067597385.db2.gz GCGLOEDUMGCJJS-UHFFFAOYSA-N 0 0 455.341 4.417 20 0 JIADRN COc1ccc(CN(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)cc1OC(F)F ZINC001352649949 1067599949 /nfs/dbraw/zinc/59/99/49/1067599949.db2.gz AKLJPOQHNRYDDI-UHFFFAOYSA-N 0 0 457.264 4.456 20 0 JIADRN COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCC(C)C)c(OC)c1 ZINC001300075489 1067601278 /nfs/dbraw/zinc/60/12/78/1067601278.db2.gz NBJHNJOPOCBZCE-MRXNPFEDSA-N 0 0 455.525 4.081 20 0 JIADRN COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@]2(C)CCCS2)cc1OC ZINC001300076052 1067602775 /nfs/dbraw/zinc/60/27/75/1067602775.db2.gz BDPABCVUQUIAGE-RDPSFJRHSA-N 0 0 460.644 4.499 20 0 JIADRN Cc1c(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001355901482 1067603383 /nfs/dbraw/zinc/60/33/83/1067603383.db2.gz QWBCEBFUOMNPSX-UHFFFAOYSA-N 0 0 452.421 4.320 20 0 JIADRN 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CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(C(=S)Nc3cccc4ccccc43)CC2)CC1 ZINC001200097942 1067606652 /nfs/dbraw/zinc/60/66/52/1067606652.db2.gz LZZQWNGAZUAOLE-UHFFFAOYSA-N 0 0 482.650 4.328 20 0 JIADRN Cc1c(Cl)c(C(=O)Nc2cc(Br)ccc2I)nn1C ZINC001355913223 1067607315 /nfs/dbraw/zinc/60/73/15/1067607315.db2.gz IKEAAGAGPXQQKD-UHFFFAOYSA-N 0 0 454.493 4.001 20 0 JIADRN O=C(Nc1cc(Br)ccc1I)[C@H]1CCC(=O)c2cccn21 ZINC001355914168 1067607732 /nfs/dbraw/zinc/60/77/32/1067607732.db2.gz UWZNORCLOZCUEG-CYBMUJFWSA-N 0 0 459.081 4.012 20 0 JIADRN O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(C(=S)Nc3cccc4ccccc43)C[C@H]2O1 ZINC001200098121 1067607890 /nfs/dbraw/zinc/60/78/90/1067607890.db2.gz OQCAHEVQMHMTGF-BULFRSBZSA-N 0 0 451.617 4.394 20 0 JIADRN COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2nc(C)cs2)c(OC)c1 ZINC001300077842 1067609436 /nfs/dbraw/zinc/60/94/36/1067609436.db2.gz BZQMHGMFJFERNN-DEOSSOPVSA-N 0 0 471.627 4.417 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC001355923250 1067610326 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCSCC(F)(F)F ZINC001316283978 1066039715 /nfs/dbraw/zinc/03/97/15/1066039715.db2.gz AJLXTMUQWCMWNJ-IKGGRYGDSA-N 0 0 462.582 4.314 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1cc(Br)ccc1OC ZINC001316283996 1066039730 /nfs/dbraw/zinc/03/97/30/1066039730.db2.gz AUTUFDFICBOCTD-VWXURSGXSA-N 0 0 493.446 4.304 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1C[C@@H](OC)C(C)C ZINC001316284337 1066040165 /nfs/dbraw/zinc/04/01/65/1066040165.db2.gz WJMSKTIMKBKGEY-GGXKXWDKSA-N 0 0 472.630 4.269 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C ZINC001316284628 1066041081 /nfs/dbraw/zinc/04/10/81/1066041081.db2.gz CEZNHWNHHJTYBR-WOZUAGRISA-N 0 0 491.677 4.274 20 0 JIADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H]1C ZINC001316284621 1066041165 /nfs/dbraw/zinc/04/11/65/1066041165.db2.gz BXXBFBAXUCHNAQ-QESAQDPVSA-N 0 0 491.677 4.179 20 0 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ZINC001318127193 1066913453 /nfs/dbraw/zinc/91/34/53/1066913453.db2.gz UBWQAGJMSGTXBL-INIZCTEOSA-N 0 0 487.398 4.467 20 0 JIADRN COC(=O)N1CCCN(Cn2nc(-c3ccccc3)n([C@@H](C)c3ccccc3)c2=S)CC1 ZINC001318126835 1066913478 /nfs/dbraw/zinc/91/34/78/1066913478.db2.gz YPVXFDNBHSXQSG-IBGZPJMESA-N 0 0 451.596 4.422 20 0 JIADRN COC(=O)N1CCCN(Cn2nc(-c3ccccc3)n([C@H](C)c3ccccc3)c2=S)CC1 ZINC001318126837 1066913638 /nfs/dbraw/zinc/91/36/38/1066913638.db2.gz YPVXFDNBHSXQSG-LJQANCHMSA-N 0 0 451.596 4.422 20 0 JIADRN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001318129605 1066914171 /nfs/dbraw/zinc/91/41/71/1066914171.db2.gz BNOKAUJKWQNFPO-NDEPHWFRSA-N 0 0 498.539 4.008 20 0 JIADRN COc1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)cc1S(=O)(=O)N1CCCCCC1 ZINC001318131679 1066914980 /nfs/dbraw/zinc/91/49/80/1066914980.db2.gz CLQNTWQQQMESKP-UHFFFAOYSA-N 0 0 471.554 4.442 20 0 JIADRN CN(C)c1ccc(CCNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC001318131688 1066915092 /nfs/dbraw/zinc/91/50/92/1066915092.db2.gz PNEDJJCEANTKIB-UHFFFAOYSA-N 0 0 475.973 4.318 20 0 JIADRN COC(=O)N1CCCN(Cn2nc(-c3ccc(OC)c(OC)c3)n(C3CCCCC3)c2=S)CC1 ZINC001318131461 1066915135 /nfs/dbraw/zinc/91/51/35/1066915135.db2.gz SYBRHKXVEYDKBE-UHFFFAOYSA-N 0 0 489.642 4.335 20 0 JIADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC001318132335 1066915485 /nfs/dbraw/zinc/91/54/85/1066915485.db2.gz UDCADEFXCAJPLH-SCTDOJESSA-N 0 0 491.632 4.196 20 0 JIADRN CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)cc1F ZINC001350094788 1066916403 /nfs/dbraw/zinc/91/64/03/1066916403.db2.gz ZOABFBZZRAHAQX-OAQYLSRUSA-N 0 0 453.493 4.156 20 0 JIADRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cn(-c2ccc(Br)cc2)nn1 ZINC001318135403 1066917298 /nfs/dbraw/zinc/91/72/98/1066917298.db2.gz MHYXAQKCGVOMQV-GOEBONIOSA-N 0 0 451.246 4.335 20 0 JIADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1ccc(Cn3cncn3)cc1)N2C(=O)OC(C)(C)C ZINC001350101918 1066917508 /nfs/dbraw/zinc/91/75/08/1066917508.db2.gz BVMOULKGRCNMME-OAQYLSRUSA-N 0 0 451.502 4.079 20 0 JIADRN COc1ccc(C[C@H](C)N(C)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC001318136861 1066918169 /nfs/dbraw/zinc/91/81/69/1066918169.db2.gz PSMHRQSGRDDJMN-SFHVURJKSA-N 0 0 450.608 4.394 20 0 JIADRN COc1cccc(N2CCC(NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC001318137285 1066918711 /nfs/dbraw/zinc/91/87/11/1066918711.db2.gz VPORIMMOOVWNBC-UHFFFAOYSA-N 0 0 471.557 4.010 20 0 JIADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001318137764 1066918734 /nfs/dbraw/zinc/91/87/34/1066918734.db2.gz VOHVZIKNOHAJBH-UHFFFAOYSA-N 0 0 458.490 4.129 20 0 JIADRN COc1cc(Br)c(OC)c(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC001318137570 1066918806 /nfs/dbraw/zinc/91/88/06/1066918806.db2.gz RYMGYLMSLLRTQD-UHFFFAOYSA-N 0 0 465.319 4.096 20 0 JIADRN CSc1ccc(-c2csc(NC(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)n2)cc1 ZINC001350108599 1066919120 /nfs/dbraw/zinc/91/91/20/1066919120.db2.gz IWJCAJCZAOPPKD-JTQLQIEISA-N 0 0 450.636 4.136 20 0 JIADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCCCN1CCCCCC1=O ZINC001350109469 1066919129 /nfs/dbraw/zinc/91/91/29/1066919129.db2.gz QVCIYKNBUJVLTD-UHFFFAOYSA-N 0 0 453.967 4.218 20 0 JIADRN CCOc1ccc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 ZINC001350109497 1066919150 /nfs/dbraw/zinc/91/91/50/1066919150.db2.gz RXMITBPNFYBGFH-INIZCTEOSA-N 0 0 450.988 4.341 20 0 JIADRN COc1cccc(N2CCC(NC(=O)Nc3cc(F)c(I)c(F)c3)CC2)c1 ZINC001318139701 1066919341 /nfs/dbraw/zinc/91/93/41/1066919341.db2.gz FMEFHHCDUOCRSG-UHFFFAOYSA-N 0 0 487.288 4.369 20 0 JIADRN COc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC001350110118 1066919608 /nfs/dbraw/zinc/91/96/08/1066919608.db2.gz DMSGMDGEPHYRIM-LJQANCHMSA-N 0 0 458.427 4.153 20 0 JIADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)C1 ZINC001318140983 1066920337 /nfs/dbraw/zinc/92/03/37/1066920337.db2.gz NEDZJYPBNUOQSX-IFMALSPDSA-N 0 0 467.614 4.255 20 0 JIADRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001318140858 1066920346 /nfs/dbraw/zinc/92/03/46/1066920346.db2.gz CYRUQKRDSNACDM-HXUWFJFHSA-N 0 0 473.499 4.352 20 0 JIADRN Cc1cc(C)cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)c1 ZINC001350129061 1066921639 /nfs/dbraw/zinc/92/16/39/1066921639.db2.gz IKWAFZJQDWHUIW-OAHLLOKOSA-N 0 0 457.415 4.309 20 0 JIADRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001350132060 1066922342 /nfs/dbraw/zinc/92/23/42/1066922342.db2.gz JMKLVEXNIGHYFB-UHFFFAOYSA-N 0 0 455.521 4.202 20 0 JIADRN O=C(Cc1ccccc1I)Nc1cc(N2CCCC2=O)ccc1Cl ZINC001350133693 1066922779 /nfs/dbraw/zinc/92/27/79/1066922779.db2.gz XZLJXQMWWPJTCN-UHFFFAOYSA-N 0 0 454.695 4.253 20 0 JIADRN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001318143081 1066922602 /nfs/dbraw/zinc/92/26/02/1066922602.db2.gz KLRIMDNFNILEQC-NOZRDPDXSA-N 0 0 454.526 4.175 20 0 JIADRN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001318143080 1066922753 /nfs/dbraw/zinc/92/27/53/1066922753.db2.gz KLRIMDNFNILEQC-ILBGXUMGSA-N 0 0 454.526 4.175 20 0 JIADRN CCN(CC)C(=O)COc1cccc(NC(=O)c2nc(Br)sc2C2CC2)c1 ZINC001350135224 1066922845 /nfs/dbraw/zinc/92/28/45/1066922845.db2.gz ZUQYYEJIWOCADR-UHFFFAOYSA-N 0 0 452.374 4.283 20 0 JIADRN COc1cccc(N2CCC(NC(=O)N(Cc3ccccc3OC)C[C@@H]3CCCO3)CC2)c1 ZINC001318144822 1066923653 /nfs/dbraw/zinc/92/36/53/1066923653.db2.gz DGMGGUXFVXEMPI-DEOSSOPVSA-N 0 0 453.583 4.063 20 0 JIADRN Cc1cc(Br)ccc1NC(=O)CCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC001318147569 1066925098 /nfs/dbraw/zinc/92/50/98/1066925098.db2.gz KWMFGGYQCRHAFO-UHFFFAOYSA-N 0 0 465.291 4.492 20 0 JIADRN Cn1nc(C(C)(C)C)cc1NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001318147630 1066925223 /nfs/dbraw/zinc/92/52/23/1066925223.db2.gz LRCHFSAKKGOTGW-UHFFFAOYSA-N 0 0 462.392 4.363 20 0 JIADRN COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318149344 1066925492 /nfs/dbraw/zinc/92/54/92/1066925492.db2.gz RLFCPWYPYLZBCZ-IBGZPJMESA-N 0 0 468.598 4.046 20 0 JIADRN CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001350159612 1066925623 /nfs/dbraw/zinc/92/56/23/1066925623.db2.gz ZRIYLPZLHSMELH-UHFFFAOYSA-N 0 0 452.248 4.394 20 0 JIADRN COC(=O)N1CCCN(Cn2nc(-c3ccc(OC)cc3)n(C3CCCCC3)c2=S)CC1 ZINC001318150494 1066925945 /nfs/dbraw/zinc/92/59/45/1066925945.db2.gz JKRKUBSNYZKIRU-UHFFFAOYSA-N 0 0 459.616 4.326 20 0 JIADRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)NCc2ccc3c(c2)CCC3)CC1 ZINC001318150916 1066926557 /nfs/dbraw/zinc/92/65/57/1066926557.db2.gz JSESNSGYAZKTAI-UHFFFAOYSA-N 0 0 456.384 4.498 20 0 JIADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)NCc2ccc3c(c2)CCC3)CC1 ZINC001318152702 1066926852 /nfs/dbraw/zinc/92/68/52/1066926852.db2.gz CPTGLBITBBQZDP-UHFFFAOYSA-N 0 0 456.384 4.498 20 0 JIADRN C[C@]1(c2cccc(CNC(=O)N[C@H](Cc3ccccc3Cl)c3ccccc3)c2)NC(=O)NC1=O ZINC001318153635 1066927351 /nfs/dbraw/zinc/92/73/51/1066927351.db2.gz PUGMFIHLCIKJMF-ATIYNZHBSA-N 0 0 476.964 4.178 20 0 JIADRN CC(C)(C)OC(=O)COc1cccc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)c1 ZINC001350178111 1066927546 /nfs/dbraw/zinc/92/75/46/1066927546.db2.gz BTVGWUSBBMTGPU-UHFFFAOYSA-N 0 0 450.491 4.182 20 0 JIADRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001350183841 1066927817 /nfs/dbraw/zinc/92/78/17/1066927817.db2.gz NIUYQARVPQBQBG-UHFFFAOYSA-N 0 0 459.587 4.114 20 0 JIADRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001350182674 1066928052 /nfs/dbraw/zinc/92/80/52/1066928052.db2.gz CHPZGQZTVOZXTA-IAGOWNOFSA-N 0 0 454.548 4.014 20 0 JIADRN C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O ZINC001318155433 1066928197 /nfs/dbraw/zinc/92/81/97/1066928197.db2.gz CLNGHIJPOWEBPH-INIZCTEOSA-N 0 0 477.258 4.059 20 0 JIADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318155684 1066928474 /nfs/dbraw/zinc/92/84/74/1066928474.db2.gz TWCXJEJRDDEOEX-QFIPXVFZSA-N 0 0 450.926 4.297 20 0 JIADRN COc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc(Cl)c1OC ZINC001350190552 1066928800 /nfs/dbraw/zinc/92/88/00/1066928800.db2.gz ZFDMOISCJWRNLO-UHFFFAOYSA-N 0 0 487.405 4.115 20 0 JIADRN Cc1cc(C(=O)NC2CCN(C(=O)N[C@H](C)c3sc(-c4ccccc4)nc3C)CC2)no1 ZINC001318156820 1066929421 /nfs/dbraw/zinc/92/94/21/1066929421.db2.gz RPIWAPGITCKSDH-MRXNPFEDSA-N 0 0 453.568 4.080 20 0 JIADRN O=C(N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001318157433 1066929973 /nfs/dbraw/zinc/92/99/73/1066929973.db2.gz PSXVOHMFHUAHBY-QFIPXVFZSA-N 0 0 487.021 4.401 20 0 JIADRN Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N2CCN(CC(F)(F)F)CC2)sc1C ZINC001492547554 1066931080 /nfs/dbraw/zinc/93/10/80/1066931080.db2.gz BSZVNTIVJJJNPE-UHFFFAOYSA-N 0 0 494.587 4.166 20 0 JIADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CCC(Oc2ccccc2)CC1 ZINC001318161454 1066931425 /nfs/dbraw/zinc/93/14/25/1066931425.db2.gz YHFAXEMCGBWYHS-UHFFFAOYSA-N 0 0 458.458 4.064 20 0 JIADRN Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC001350211580 1066931819 /nfs/dbraw/zinc/93/18/19/1066931819.db2.gz UFGGTNKLLQRIFY-CYBMUJFWSA-N 0 0 451.474 4.134 20 0 JIADRN 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450.432 4.018 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC001300210444 1067881107 /nfs/dbraw/zinc/88/11/07/1067881107.db2.gz QXVWFDDSIHEKSU-CYBMUJFWSA-N 0 0 471.480 4.090 20 0 JIADRN Cc1c(C(=O)Nc2ccnn2Cc2cccc(C)c2)nnn1-c1ccccc1Br ZINC001353147713 1067881484 /nfs/dbraw/zinc/88/14/84/1067881484.db2.gz SMIKOPAKHZIXFB-UHFFFAOYSA-N 0 0 451.328 4.144 20 0 JIADRN Cc1cccc(-c2nnc3n2C[C@H](C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CC3)c1 ZINC001357641165 1067881614 /nfs/dbraw/zinc/88/16/14/1067881614.db2.gz QIQUZPKXVXFCRT-FUHWJXTLSA-N 0 0 458.484 4.418 20 0 JIADRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 ZINC001357642034 1067881816 /nfs/dbraw/zinc/88/18/16/1067881816.db2.gz XIKNDSITUZCENY-UZUQRXQVSA-N 0 0 456.539 4.157 20 0 JIADRN Cc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC001357649029 1067882066 /nfs/dbraw/zinc/88/20/66/1067882066.db2.gz ZUWSXVNZQDGXGA-UHFFFAOYSA-N 0 0 450.601 4.267 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCC3=O)CC2)cc1OC(F)F ZINC001300212071 1067882196 /nfs/dbraw/zinc/88/21/96/1067882196.db2.gz MGACXVKNLDYVAN-UHFFFAOYSA-N 0 0 491.583 4.116 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1OC(F)F ZINC001300212416 1067882644 /nfs/dbraw/zinc/88/26/44/1067882644.db2.gz QJBSURQAEJAYSF-RJYGXOMWSA-N 0 0 494.583 4.298 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1OC(F)F ZINC001300212417 1067882703 /nfs/dbraw/zinc/88/27/03/1067882703.db2.gz QJBSURQAEJAYSF-TZPNTHKFSA-N 0 0 494.583 4.298 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001492558918 1067883083 /nfs/dbraw/zinc/88/30/83/1067883083.db2.gz LQZBKTVDUISNHE-TZIWHRDSSA-N 0 0 463.548 4.309 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CC2CCOCC2)cc1OC(F)F ZINC001300213111 1067883274 /nfs/dbraw/zinc/88/32/74/1067883274.db2.gz XNCBUIRDTVDSCL-UHFFFAOYSA-N 0 0 452.546 4.388 20 0 JIADRN COc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C)C2)cc1F ZINC001300213176 1067883573 /nfs/dbraw/zinc/88/35/73/1067883573.db2.gz YXMZTJTUUVXSHS-FXAWDEMLSA-N 0 0 489.592 4.019 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@@H](C3CC3)C2)cc1Br ZINC001300213477 1067883772 /nfs/dbraw/zinc/88/37/72/1067883772.db2.gz SGRKAXRIVALLIF-MGPUTAFESA-N 0 0 463.420 4.300 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)c(F)c1 ZINC001300213664 1067883803 /nfs/dbraw/zinc/88/38/03/1067883803.db2.gz UZVJXCGBXIUUSF-UHFFFAOYSA-N 0 0 453.562 4.424 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](C3CC3)C2)cc1Br ZINC001300213476 1067883838 /nfs/dbraw/zinc/88/38/38/1067883838.db2.gz SGRKAXRIVALLIF-FOIQADDNSA-N 0 0 463.420 4.300 20 0 JIADRN O=C(NCc1ccnc(OC2CCCCC2)c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001357666526 1067884080 /nfs/dbraw/zinc/88/40/80/1067884080.db2.gz ZQKZCVIQDHFEKX-UHFFFAOYSA-N 0 0 451.567 4.458 20 0 JIADRN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC001357667422 1067884119 /nfs/dbraw/zinc/88/41/19/1067884119.db2.gz MKBALXBNVIFHCJ-HXUWFJFHSA-N 0 0 455.624 4.376 20 0 JIADRN COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1c3ccccc3CN1C(=O)OC(C)(C)C)CC2 ZINC001357668406 1067884333 /nfs/dbraw/zinc/88/43/33/1067884333.db2.gz YRQFCXURCQVYLU-OAQYLSRUSA-N 0 0 452.551 4.471 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1CCCn1cc(Br)cn1 ZINC001492559266 1067884373 /nfs/dbraw/zinc/88/43/73/1067884373.db2.gz WAGAKGPQDHPERS-IBGZPJMESA-N 0 0 473.419 4.308 20 0 JIADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001357669396 1067884437 /nfs/dbraw/zinc/88/44/37/1067884437.db2.gz CDEAIYJNUCEFKR-RBBKRZOGSA-N 0 0 457.412 4.368 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001492559355 1067884536 /nfs/dbraw/zinc/88/45/36/1067884536.db2.gz YAILDZSDGKTISK-UHFFFAOYSA-N 0 0 470.643 4.286 20 0 JIADRN CC(C)[C@@H](C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001357669968 1067884679 /nfs/dbraw/zinc/88/46/79/1067884679.db2.gz IHRNHQFWRBVLKD-WMLDXEAASA-N 0 0 459.418 4.222 20 0 JIADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)C(F)(F)F ZINC001357675122 1067885082 /nfs/dbraw/zinc/88/50/82/1067885082.db2.gz DLHRVMXKYIJGOF-HXUWFJFHSA-N 0 0 459.428 4.485 20 0 JIADRN COc1ccc(CCCNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1OC ZINC001357673067 1067885123 /nfs/dbraw/zinc/88/51/23/1067885123.db2.gz RUQMBEAODJWQCH-UHFFFAOYSA-N 0 0 458.356 4.323 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001492559598 1067885141 /nfs/dbraw/zinc/88/51/41/1067885141.db2.gz HNVAIRCXUIZABH-KOUNCHBCSA-N 0 0 455.647 4.004 20 0 JIADRN COc1ccc(-n2ccc(CNCc3csc(N(C(C)=O)c4ccc(F)cc4)n3)n2)cc1 ZINC001200244640 1067885374 /nfs/dbraw/zinc/88/53/74/1067885374.db2.gz WECANIPIPNKISL-UHFFFAOYSA-N 0 0 451.527 4.451 20 0 JIADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 ZINC001353164146 1067885415 /nfs/dbraw/zinc/88/54/15/1067885415.db2.gz DHVOZUJYKDWIFK-IBGZPJMESA-N 0 0 454.943 4.481 20 0 JIADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1nc(C)n(-c2ccccc2)n1)C(F)(F)F ZINC001357676555 1067885476 /nfs/dbraw/zinc/88/54/76/1067885476.db2.gz XLDZSJTTXPMJIX-FQEVSTJZSA-N 0 0 454.456 4.412 20 0 JIADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3CCC(c4ccccc4)CC3)C2)cc1 ZINC001353164398 1067885620 /nfs/dbraw/zinc/88/56/20/1067885620.db2.gz IGHYBKMXUVSNSB-HQNXYIODSA-N 0 0 454.636 4.486 20 0 JIADRN Cc1ccccc1-c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001492559657 1067885706 /nfs/dbraw/zinc/88/57/06/1067885706.db2.gz JNPKKAAJBDEIJC-UHFFFAOYSA-N 0 0 489.668 4.142 20 0 JIADRN Cc1ccc(CC(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1Br ZINC001353165432 1067886108 /nfs/dbraw/zinc/88/61/08/1067886108.db2.gz TYZAZEZAYPRMTH-UHFFFAOYSA-N 0 0 455.341 4.038 20 0 JIADRN Cc1cc(F)c(Br)cc1C(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 ZINC001353165698 1067886376 /nfs/dbraw/zinc/88/63/76/1067886376.db2.gz YBPWJLKXBHNELS-UHFFFAOYSA-N 0 0 459.304 4.248 20 0 JIADRN Cc1cc(CCC(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)ccc1Br ZINC001357686619 1067886592 /nfs/dbraw/zinc/88/65/92/1067886592.db2.gz XBHTZQGYMVICKU-KRWDZBQOSA-N 0 0 458.400 4.434 20 0 JIADRN COc1cc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)ccc1OCC(=O)NC(C)C ZINC001357689515 1067886855 /nfs/dbraw/zinc/88/68/55/1067886855.db2.gz TYAGUVCECRYXJP-UHFFFAOYSA-N 0 0 458.518 4.190 20 0 JIADRN COc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)c(OC)n1 ZINC001300216541 1067887142 /nfs/dbraw/zinc/88/71/42/1067887142.db2.gz XIYZMVLOOITITF-UHFFFAOYSA-N 0 0 485.013 4.384 20 0 JIADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC3CCCC3)nc2)c1 ZINC001357690142 1067887187 /nfs/dbraw/zinc/88/71/87/1067887187.db2.gz GUMYIPGTIIOQEZ-UHFFFAOYSA-N 0 0 451.976 4.386 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC2CC(F)C2)cc1OC(F)F ZINC001300216903 1067887461 /nfs/dbraw/zinc/88/74/61/1067887461.db2.gz OJOLUSBMTOJUDJ-UHFFFAOYSA-N 0 0 461.488 4.107 20 0 JIADRN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC000490092645 1067887928 /nfs/dbraw/zinc/88/79/28/1067887928.db2.gz LTFGGTZERFMSNY-NRFANRHFSA-N 0 0 486.663 4.349 20 0 JIADRN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001357693691 1067887951 /nfs/dbraw/zinc/88/79/51/1067887951.db2.gz KTCPSCPUBIMOGF-UHFFFAOYSA-N 0 0 459.262 4.459 20 0 JIADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1C ZINC000490091387 1067887973 /nfs/dbraw/zinc/88/79/73/1067887973.db2.gz QXZPZKBJGTYXCH-KRWDZBQOSA-N 0 0 468.579 4.135 20 0 JIADRN COc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C(C)C)nc2)c(F)c1 ZINC001300217278 1067887964 /nfs/dbraw/zinc/88/79/64/1067887964.db2.gz YPXAHJJWVJDUKL-UHFFFAOYSA-N 0 0 461.545 4.010 20 0 JIADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC001357695117 1067887992 /nfs/dbraw/zinc/88/79/92/1067887992.db2.gz HRDAZSBHMJJUGN-INIZCTEOSA-N 0 0 457.493 4.022 20 0 JIADRN C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001353169054 1067888053 /nfs/dbraw/zinc/88/80/53/1067888053.db2.gz DEQURVRPOXSTQL-HNNXBMFYSA-N 0 0 455.352 4.062 20 0 JIADRN O=C(Nc1ccc(-n2ccnn2)cc1)c1cc(I)c(Cl)cc1Cl ZINC001357697611 1067888209 /nfs/dbraw/zinc/88/82/09/1067888209.db2.gz DVCXLEGIXHVKCH-UHFFFAOYSA-N 0 0 459.074 4.431 20 0 JIADRN Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)nn1-c1ccccc1Cl ZINC001357698371 1067888400 /nfs/dbraw/zinc/88/84/00/1067888400.db2.gz KGWVVDZUQCARLP-JOCHJYFZSA-N 0 0 459.377 4.291 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCS[C@@H](C)C2)cc1Br ZINC001300217685 1067888417 /nfs/dbraw/zinc/88/84/17/1067888417.db2.gz FCBHHAVAGKAWKK-HNNXBMFYSA-N 0 0 474.428 4.025 20 0 JIADRN O=C(Nc1ccc(NC(=O)c2cnc(Br)c(Br)c2)cc1)NC1CC1 ZINC001357702102 1067888728 /nfs/dbraw/zinc/88/87/28/1067888728.db2.gz QRSFTBZCXAMVBY-UHFFFAOYSA-N 0 0 454.122 4.143 20 0 JIADRN CCCCc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 ZINC001357705452 1067888971 /nfs/dbraw/zinc/88/89/71/1067888971.db2.gz GGISHJSMAWZZLR-STZFKDTASA-N 0 0 452.532 4.224 20 0 JIADRN COc1ccc(-c2nnc(SCC(=O)NC3CCSCC3)n2-c2ccc(C)cc2)cc1 ZINC001357707258 1067889504 /nfs/dbraw/zinc/88/95/04/1067889504.db2.gz MPQTUGBDNSDCIJ-UHFFFAOYSA-N 0 0 454.621 4.355 20 0 JIADRN COC(=O)c1cc(Br)cc(OC(=O)c2cc(Br)c(F)cc2F)c1 ZINC001357708720 1067889982 /nfs/dbraw/zinc/88/99/82/1067889982.db2.gz ZMBQTHKFEXTVDH-UHFFFAOYSA-N 0 0 450.029 4.496 20 0 JIADRN Cc1cc(F)c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(I)c1 ZINC001357709062 1067890069 /nfs/dbraw/zinc/89/00/69/1067890069.db2.gz ODJTYGMQQGYNQS-ZDUSSCGKSA-N 0 0 452.267 4.268 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001300218597 1067889989 /nfs/dbraw/zinc/88/99/89/1067889989.db2.gz IDYPRXHFBYVUFK-KXBFYZLASA-N 0 0 476.021 4.290 20 0 JIADRN O=C([C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001357715746 1067890575 /nfs/dbraw/zinc/89/05/75/1067890575.db2.gz PJGCKXLIAFMHBS-HSZRJFAPSA-N 0 0 454.979 4.005 20 0 JIADRN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(CCc1ccccc1F)C1CCCC1)C2=O ZINC001353176964 1067891108 /nfs/dbraw/zinc/89/11/08/1067891108.db2.gz GYQWYFFQMNUWCB-HFJWLAOPSA-N 0 0 457.590 4.276 20 0 JIADRN Cc1ccsc1CCNC(=O)c1ccc(Br)cc1I ZINC001357720063 1067891267 /nfs/dbraw/zinc/89/12/67/1067891267.db2.gz SPBGAIHDQTZYOZ-UHFFFAOYSA-N 0 0 450.139 4.396 20 0 JIADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCCC1(CO)CCC1 ZINC001300220580 1067891721 /nfs/dbraw/zinc/89/17/21/1067891721.db2.gz AIJFJVBIADQCNW-HNNXBMFYSA-N 0 0 457.621 4.355 20 0 JIADRN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCCN(C)CC(F)(F)F)[C@H]2c2cccs2)cc1 ZINC001353183052 1067891910 /nfs/dbraw/zinc/89/19/10/1067891910.db2.gz BFMDOASSNNFJPF-XLIONFOSSA-N 0 0 453.530 4.151 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C(F)(F)F)c1 ZINC001300220960 1067892055 /nfs/dbraw/zinc/89/20/55/1067892055.db2.gz HEZHLRRRWNVCFV-SFHVURJKSA-N 0 0 493.574 4.437 20 0 JIADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cn1c(C)nc2cc(F)c(F)cc21 ZINC001357730380 1067892121 /nfs/dbraw/zinc/89/21/21/1067892121.db2.gz 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LPMACMURDWNHHR-HNNXBMFYSA-N 0 0 459.793 4.176 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1nccn1C(F)F ZINC001316442816 1066305767 /nfs/dbraw/zinc/30/57/67/1066305767.db2.gz VNCZQEGGLMHENY-KRWDZBQOSA-N 0 0 462.570 4.446 20 0 JIADRN CCCCOc1ccc(-c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1OC ZINC001326917812 1066306229 /nfs/dbraw/zinc/30/62/29/1066306229.db2.gz MSUQASPJVAZHLN-UHFFFAOYSA-N 0 0 457.552 4.376 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(F)cc1 ZINC001316443190 1066307005 /nfs/dbraw/zinc/30/70/05/1066307005.db2.gz FJCIWFINHSXXQV-MRXNPFEDSA-N 0 0 490.674 4.312 20 0 JIADRN CSC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001316443387 1066307486 /nfs/dbraw/zinc/30/74/86/1066307486.db2.gz YOWVLUSNRMICCI-QFIPXVFZSA-N 0 0 496.685 4.050 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCO[C@@H]1C ZINC001316443593 1066308301 /nfs/dbraw/zinc/30/83/01/1066308301.db2.gz GXXKGAAFKWDJFZ-GCKMJXCFSA-N 0 0 483.476 4.134 20 0 JIADRN 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0 450.320 4.479 20 0 JIADRN C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F ZINC001351816390 1067213727 /nfs/dbraw/zinc/21/37/27/1067213727.db2.gz WDGOSFPRWHEBRV-BEFAXECRSA-N 0 0 459.493 4.442 20 0 JIADRN CCc1ccc([C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c2cccc(F)c2)cc1 ZINC001321828011 1067215145 /nfs/dbraw/zinc/21/51/45/1067215145.db2.gz NSYQQYOIXXCCPW-VWLOTQADSA-N 0 0 456.521 4.290 20 0 JIADRN CC(C)[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccc(Cl)cc1 ZINC001351824803 1067215653 /nfs/dbraw/zinc/21/56/53/1067215653.db2.gz AQOPBWDVWVXUGH-HXUWFJFHSA-N 0 0 451.748 4.341 20 0 JIADRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)o2)cc1 ZINC001321834565 1067216433 /nfs/dbraw/zinc/21/64/33/1067216433.db2.gz OSCYGIBWOMEBFO-UHFFFAOYSA-N 0 0 456.498 4.298 20 0 JIADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC001351825605 1067216617 /nfs/dbraw/zinc/21/66/17/1067216617.db2.gz VYRPTNBMYQAVQJ-KSFYIVLOSA-N 0 0 453.491 4.197 20 0 JIADRN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)C(F)(F)c2ccc(Cl)cc2)C1 ZINC001321840281 1067216889 /nfs/dbraw/zinc/21/68/89/1067216889.db2.gz HFIUWEIJBNZBKZ-LBPRGKRZSA-N 0 0 472.717 4.467 20 0 JIADRN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001321874633 1067220390 /nfs/dbraw/zinc/22/03/90/1067220390.db2.gz BJDLTHJTIOQNRM-INIZCTEOSA-N 0 0 487.000 4.311 20 0 JIADRN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001321874634 1067220506 /nfs/dbraw/zinc/22/05/06/1067220506.db2.gz BJDLTHJTIOQNRM-MRXNPFEDSA-N 0 0 487.000 4.311 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001300740557 1067220685 /nfs/dbraw/zinc/22/06/85/1067220685.db2.gz YWGGOISMTMENJM-QWFCFKBJSA-N 0 0 451.537 4.141 20 0 JIADRN CCOC(=O)CCCCNC(=S)Nc1c(F)cc(Br)cc1Br ZINC001200804762 1067220745 /nfs/dbraw/zinc/22/07/45/1067220745.db2.gz XIVHBYXBPRDIAF-UHFFFAOYSA-N 0 0 456.175 4.371 20 0 JIADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)/C=C\c2ccc(I)o2)cc1 ZINC001354867155 1067221860 /nfs/dbraw/zinc/22/18/60/1067221860.db2.gz SPKAMMHAHKEJQP-LUAWRHEFSA-N 0 0 453.276 4.169 20 0 JIADRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001351855818 1067224956 /nfs/dbraw/zinc/22/49/56/1067224956.db2.gz XEQINMDHDWIVMX-ROUUACIJSA-N 0 0 454.470 4.112 20 0 JIADRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001351855816 1067225180 /nfs/dbraw/zinc/22/51/80/1067225180.db2.gz XEQINMDHDWIVMX-MSOLQXFVSA-N 0 0 454.470 4.112 20 0 JIADRN CC(C)CCN(C(=O)c1cccc(Cl)c1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001351858727 1067225910 /nfs/dbraw/zinc/22/59/10/1067225910.db2.gz IQPXKJQYZJEFNC-UHFFFAOYSA-N 0 0 458.921 4.065 20 0 JIADRN O=C(COC(=O)c1ccc(-c2ccccc2)s1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001321904284 1067225890 /nfs/dbraw/zinc/22/58/90/1067225890.db2.gz JCHZYPJBUCQZOA-UHFFFAOYSA-N 0 0 454.592 4.259 20 0 JIADRN CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)o1 ZINC001321904582 1067225935 /nfs/dbraw/zinc/22/59/35/1067225935.db2.gz QTOHNQCRJBMHLB-UHFFFAOYSA-N 0 0 470.478 4.348 20 0 JIADRN CCOC(=O)c1cnc2nc(SC)nn2c1NC(=S)Nc1c(C)cc(Cl)cc1Cl ZINC001200805471 1067227128 /nfs/dbraw/zinc/22/71/28/1067227128.db2.gz BTWRMTXVDGKWIP-UHFFFAOYSA-N 0 0 471.395 4.447 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C)cc2Br)cc1 ZINC001351862833 1067227281 /nfs/dbraw/zinc/22/72/81/1067227281.db2.gz JIYQKKGSRZKFIQ-UHFFFAOYSA-N 0 0 453.402 4.359 20 0 JIADRN Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C)c1Br ZINC001351866126 1067228046 /nfs/dbraw/zinc/22/80/46/1067228046.db2.gz SCCQHDFKXDBPMQ-UHFFFAOYSA-N 0 0 453.739 4.457 20 0 JIADRN C[C@H](OC(=O)c1cc(=O)n(C)c2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001321917984 1067228036 /nfs/dbraw/zinc/22/80/36/1067228036.db2.gz VYFIQIPZDSGJNA-NSHDSACASA-N 0 0 452.816 4.395 20 0 JIADRN COC(=O)[C@](C)(NC(=S)Nc1c(F)cc(Br)cc1Br)C(F)(F)F ZINC001200805762 1067228450 /nfs/dbraw/zinc/22/84/50/1067228450.db2.gz WDALMGPZOIJWRS-NSHDSACASA-N 0 0 482.091 4.131 20 0 JIADRN O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1cnc(-c2ccccc2Cl)nc1 ZINC001354872928 1067228522 /nfs/dbraw/zinc/22/85/22/1067228522.db2.gz LBEFHLVPBWLYCU-UHFFFAOYSA-N 0 0 456.955 4.224 20 0 JIADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000500044710 1067229145 /nfs/dbraw/zinc/22/91/45/1067229145.db2.gz GKZJHXHVKVFOOP-UHFFFAOYSA-N 0 0 459.350 4.401 20 0 JIADRN COC(=O)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1Br)c1cccs1 ZINC001351881674 1067229174 /nfs/dbraw/zinc/22/91/74/1067229174.db2.gz KZDPJOUFHQJPBJ-GFCCVEGCSA-N 0 0 452.248 4.443 20 0 JIADRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C/C=C/c1ccc(Br)cc1 ZINC001351881625 1067229274 /nfs/dbraw/zinc/22/92/74/1067229274.db2.gz JYIUOWHHVSPLHE-NSCUHMNNSA-N 0 0 459.340 4.114 20 0 JIADRN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(-c4ccccc4)cc3)c2)C[C@H](C)O1 ZINC001351882634 1067230146 /nfs/dbraw/zinc/23/01/46/1067230146.db2.gz LFRQTSLKYGXESL-OALUTQOASA-N 0 0 451.544 4.371 20 0 JIADRN Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)ccc1NC(=O)OC(C)(C)C ZINC001351887106 1067231829 /nfs/dbraw/zinc/23/18/29/1067231829.db2.gz KZCCUVONYXQGDH-UHFFFAOYSA-N 0 0 455.530 4.008 20 0 JIADRN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)cc1 ZINC001321956678 1067231866 /nfs/dbraw/zinc/23/18/66/1067231866.db2.gz HKSPCUJAMXFPKB-UHFFFAOYSA-N 0 0 459.495 4.438 20 0 JIADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)c12 ZINC001321947671 1067231884 /nfs/dbraw/zinc/23/18/84/1067231884.db2.gz YWOYVOKJVMIDDN-UHFFFAOYSA-N 0 0 451.483 4.353 20 0 JIADRN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1nn(-c2ccccc2F)cc1Br ZINC001321947649 1067231918 /nfs/dbraw/zinc/23/19/18/1067231918.db2.gz YNSRQWZUSNUACU-UHFFFAOYSA-N 0 0 486.345 4.332 20 0 JIADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC(=O)N2CCCc3ccccc32)cc1OC ZINC001321961436 1067233600 /nfs/dbraw/zinc/23/36/00/1067233600.db2.gz UZZGMWBDQLJZIZ-UHFFFAOYSA-N 0 0 496.567 4.266 20 0 JIADRN COCCCOCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001351895358 1067235039 /nfs/dbraw/zinc/23/50/39/1067235039.db2.gz QXQADADHMYFDKE-QGZVFWFLSA-N 0 0 458.502 4.394 20 0 JIADRN COCCOCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001351895771 1067235059 /nfs/dbraw/zinc/23/50/59/1067235059.db2.gz VFQVQCUQHPIEKP-KRWDZBQOSA-N 0 0 458.502 4.394 20 0 JIADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001354878122 1067235886 /nfs/dbraw/zinc/23/58/86/1067235886.db2.gz LVEMWGWHZQLLAQ-HNNXBMFYSA-N 0 0 450.470 4.479 20 0 JIADRN CC(C)C[C@H](C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)N1Cc2ccccc2C1=O ZINC001354878399 1067236623 /nfs/dbraw/zinc/23/66/23/1067236623.db2.gz SUHYKKRUURTBEJ-HXUWFJFHSA-N 0 0 457.456 4.295 20 0 JIADRN Cc1cccc(C)c1NC(=O)Cn1c(CC(C)C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001492492345 1067236967 /nfs/dbraw/zinc/23/69/67/1067236967.db2.gz LJUFFAPOTRJCQH-HSZRJFAPSA-N 0 0 483.657 4.287 20 0 JIADRN Cc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(-c2ccc(C)cc2)n1 ZINC001321983811 1067237149 /nfs/dbraw/zinc/23/71/49/1067237149.db2.gz PRVATYOTBJRLMO-UHFFFAOYSA-N 0 0 457.460 4.134 20 0 JIADRN O=C(/C(=C\c1cccs1)n1nnnc1-c1ccccc1)N1CCC(Oc2ccccc2)CC1 ZINC001322020774 1067239981 /nfs/dbraw/zinc/23/99/81/1067239981.db2.gz CRDJUHNTDZQEOS-PTGBLXJZSA-N 0 0 457.559 4.470 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001300743814 1067240517 /nfs/dbraw/zinc/24/05/17/1067240517.db2.gz ALFLOTJIURWGNG-QZNHQXDQSA-N 0 0 499.656 4.426 20 0 JIADRN CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001300743815 1067240698 /nfs/dbraw/zinc/24/06/98/1067240698.db2.gz ALFLOTJIURWGNG-XJUOHMSHSA-N 0 0 499.656 4.426 20 0 JIADRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC001351916039 1067242298 /nfs/dbraw/zinc/24/22/98/1067242298.db2.gz ZYJLZCSIBNSSDE-UHFFFAOYSA-N 0 0 458.923 4.257 20 0 JIADRN CO[C@H]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cc(C)on1 ZINC001300744322 1067243813 /nfs/dbraw/zinc/24/38/13/1067243813.db2.gz ARVMGGZXPZAORR-CTNGQTDRSA-N 0 0 488.633 4.141 20 0 JIADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc4ccc(Cl)nn43)[C@@H]2c2cccs2)cc1 ZINC001322051235 1067243931 /nfs/dbraw/zinc/24/39/31/1067243931.db2.gz CZBOFGVTMDIMCM-MGPUTAFESA-N 0 0 466.954 4.271 20 0 JIADRN CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001300744411 1067243853 /nfs/dbraw/zinc/24/38/53/1067243853.db2.gz HIAKIOQCFZNSNX-ZRCGQRJVSA-N 0 0 483.657 4.062 20 0 JIADRN Cc1ccc(NC(=O)[C@@H]2COc3ccc(Br)cc32)cc1I ZINC001351923278 1067244797 /nfs/dbraw/zinc/24/47/97/1067244797.db2.gz IXSFCDNKYJGNGL-CYBMUJFWSA-N 0 0 458.093 4.477 20 0 JIADRN CO[C@@H]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001300744676 1067245580 /nfs/dbraw/zinc/24/55/80/1067245580.db2.gz JFINXQFMLHMQSJ-FYYLOGMGSA-N 0 0 466.630 4.276 20 0 JIADRN COc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)coc2c1C ZINC001351924999 1067245649 /nfs/dbraw/zinc/24/56/49/1067245649.db2.gz BZCBDSBYPTYUFS-UHFFFAOYSA-N 0 0 456.564 4.414 20 0 JIADRN CCN(C(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 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CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001353721389 1068511377 /nfs/dbraw/zinc/51/13/77/1068511377.db2.gz GVVIBAOUKTZLMT-UHFFFAOYSA-N 0 0 457.452 4.423 20 0 JIADRN COc1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)cc1N1CCCCC1=O ZINC001353729505 1068517353 /nfs/dbraw/zinc/51/73/53/1068517353.db2.gz OCABEXAGXHBRNF-UHFFFAOYSA-N 0 0 455.312 4.170 20 0 JIADRN O=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000503311735 1068520799 /nfs/dbraw/zinc/52/07/99/1068520799.db2.gz CIOXVEMXXMRUQW-JOCHJYFZSA-N 0 0 463.541 4.084 20 0 JIADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](C)NC(=O)CCc3ccccc3)s2)cc1 ZINC001353731739 1068521644 /nfs/dbraw/zinc/52/16/44/1068521644.db2.gz INMGSGOJLKHNHV-FUHWJXTLSA-N 0 0 451.592 4.442 20 0 JIADRN CNC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c2ccccc2O1 ZINC001353733625 1068523308 /nfs/dbraw/zinc/52/33/08/1068523308.db2.gz GWKBJJHHBAFXJP-SFHVURJKSA-N 0 0 458.301 4.335 20 0 JIADRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001353734587 1068525080 /nfs/dbraw/zinc/52/50/80/1068525080.db2.gz GTHRLHVKOBJQQK-SLYNCCJLSA-N 0 0 459.384 4.332 20 0 JIADRN COc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001300395409 1068530492 /nfs/dbraw/zinc/53/04/92/1068530492.db2.gz MYAFHHSNEYLENS-KNQAVFIVSA-N 0 0 487.645 4.318 20 0 JIADRN COc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCn2cc(Cl)cn2)c1 ZINC001300395407 1068530656 /nfs/dbraw/zinc/53/06/56/1068530656.db2.gz MVLIYIIUSDJUTQ-QHCPKHFHSA-N 0 0 458.994 4.145 20 0 JIADRN COc1cc(S(=O)(=O)N2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)ccc1F ZINC001200433976 1068534275 /nfs/dbraw/zinc/53/42/75/1068534275.db2.gz BMCXJEOZUBFZKF-UHFFFAOYSA-N 0 0 472.567 4.174 20 0 JIADRN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccn(CCc2ccncc2)n1 ZINC000503321997 1068534627 /nfs/dbraw/zinc/53/46/27/1068534627.db2.gz YTBQXJGIHBSGDO-UHFFFAOYSA-N 0 0 452.518 4.088 20 0 JIADRN CC[C@]1(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001353740465 1068535909 /nfs/dbraw/zinc/53/59/09/1068535909.db2.gz OFHQMDLLERTPHD-XDHUDOTRSA-N 0 0 455.559 4.059 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001300397308 1068538162 /nfs/dbraw/zinc/53/81/62/1068538162.db2.gz DTMMVFCNEYKLNY-DNVCBOLYSA-N 0 0 495.546 4.455 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H]4[C@H](OC)CC[C@@H]4C3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001300397423 1068538369 /nfs/dbraw/zinc/53/83/69/1068538369.db2.gz FHKWWHACTYWVTR-HLAWJBBLSA-N 0 0 485.629 4.118 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCCn2ccnc2C)c1 ZINC001300397509 1068538859 /nfs/dbraw/zinc/53/88/59/1068538859.db2.gz HROOZEZWSVRNTN-NRFANRHFSA-N 0 0 495.628 4.042 20 0 JIADRN COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)N3CCCC3)n2CCCCSC)c1 ZINC001300397495 1068539127 /nfs/dbraw/zinc/53/91/27/1068539127.db2.gz HNLAAGCKXHEPAB-NQIIRXRSSA-N 0 0 457.644 4.253 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2CCCCO2)c1 ZINC001300398246 1068542617 /nfs/dbraw/zinc/54/26/17/1068542617.db2.gz NTCIICGDSPPLQF-VQTJNVASSA-N 0 0 471.602 4.016 20 0 JIADRN COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001300398232 1068542751 /nfs/dbraw/zinc/54/27/51/1068542751.db2.gz NMGLPGXCAMJHET-JAXLGGSGSA-N 0 0 485.629 4.118 20 0 JIADRN Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001353746355 1068543478 /nfs/dbraw/zinc/54/34/78/1068543478.db2.gz KWJAFIOBGQOVLP-KHCICDEESA-N 0 0 458.990 4.316 20 0 JIADRN COc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001300398474 1068544562 /nfs/dbraw/zinc/54/45/62/1068544562.db2.gz QTWTTYUUFDOLFA-LQWHRVPQSA-N 0 0 473.593 4.395 20 0 JIADRN COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CCSC(F)(F)F)c1 ZINC001300398628 1068545106 /nfs/dbraw/zinc/54/51/06/1068545106.db2.gz DEDWMRBHLKEHIB-RHSMWYFYSA-N 0 0 471.549 4.265 20 0 JIADRN COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCOC2CCCC2)c1 ZINC001300398754 1068546454 /nfs/dbraw/zinc/54/64/54/1068546454.db2.gz DZFYRSZUWYAWPD-JOCHJYFZSA-N 0 0 455.603 4.116 20 0 JIADRN COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)c1 ZINC001300399596 1068550373 /nfs/dbraw/zinc/55/03/73/1068550373.db2.gz HVAYLSBZSUZICE-GCJKJVERSA-N 0 0 488.558 4.354 20 0 JIADRN CC[C@H](c1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)s1)c1ccccc1 ZINC001353754704 1068552752 /nfs/dbraw/zinc/55/27/52/1068552752.db2.gz UTDYXZKGCLMFMN-QUCCMNQESA-N 0 0 450.564 4.076 20 0 JIADRN CC[C@@H](c1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)s1)c1ccccc1 ZINC001353755326 1068553409 /nfs/dbraw/zinc/55/34/09/1068553409.db2.gz XHFJOSJLULFIQA-SFHLNBCPSA-N 0 0 450.564 4.247 20 0 JIADRN CCCn1cc(CN[C@@H](c2ccc(F)cc2)c2ccccc2I)nn1 ZINC001200439220 1068554054 /nfs/dbraw/zinc/55/40/54/1068554054.db2.gz ORZTYUMWHCLJCU-IBGZPJMESA-N 0 0 450.299 4.311 20 0 JIADRN CCOC(=O)[C@@H](NC(=O)C[C@H]1OCc2ccccc21)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001353757534 1068555040 /nfs/dbraw/zinc/55/50/40/1068555040.db2.gz VRLLBFOSXKJPPN-QPPBQGQZSA-N 0 0 451.498 4.010 20 0 JIADRN CN(C)c1cc(Br)cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001353760464 1068557967 /nfs/dbraw/zinc/55/79/67/1068557967.db2.gz LXXXCOXTKGBPTR-KSSFIOAISA-N 0 0 454.409 4.328 20 0 JIADRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001353761326 1068559404 /nfs/dbraw/zinc/55/94/04/1068559404.db2.gz QQSHGVFVULUDJU-GOEBONIOSA-N 0 0 454.361 4.157 20 0 JIADRN O=C(NCCNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1)c1ccc(Cl)cc1 ZINC001353767066 1068563425 /nfs/dbraw/zinc/56/34/25/1068563425.db2.gz CXKNXWVUFLRGHM-UHFFFAOYSA-N 0 0 455.345 4.488 20 0 JIADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccn(CCc4ccncc4)n3)nc2n1 ZINC000503359734 1068563738 /nfs/dbraw/zinc/56/37/38/1068563738.db2.gz FMUUMZFKQFRARO-UHFFFAOYSA-N 0 0 484.589 4.120 20 0 JIADRN COc1cccc([C@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2CCOC(C)C)c1 ZINC001300405503 1068566990 /nfs/dbraw/zinc/56/69/90/1068566990.db2.gz BZIMDIFKNQPSQL-HXUWFJFHSA-N 0 0 469.611 4.045 20 0 JIADRN COc1cccc(C2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(C)C)CC2)c1 ZINC001300406112 1068568937 /nfs/dbraw/zinc/56/89/37/1068568937.db2.gz ULWFSNNWWWMLPH-NRFANRHFSA-N 0 0 460.644 4.009 20 0 JIADRN COc1cccc([C@@H]2CCCN2c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](OC)C(F)(F)F)c1 ZINC001300406308 1068570523 /nfs/dbraw/zinc/57/05/23/1068570523.db2.gz WHZQMQILMUKJAW-LEWJYISDSA-N 0 0 492.546 4.457 20 0 JIADRN COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)CCO2)c1 ZINC001300406723 1068573855 /nfs/dbraw/zinc/57/38/55/1068573855.db2.gz IRSFNDZNBIORPL-QPPBQGQZSA-N 0 0 456.612 4.032 20 0 JIADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001353776451 1068574300 /nfs/dbraw/zinc/57/43/00/1068574300.db2.gz KNMWMDYHLCGALN-SFHVURJKSA-N 0 0 457.303 4.092 20 0 JIADRN COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CC[C@@H](C(F)F)N3CCOCC3)CC2)c1 ZINC001300406808 1068575625 /nfs/dbraw/zinc/57/56/25/1068575625.db2.gz KEIHAPVHGVFPKU-QHCPKHFHSA-N 0 0 489.611 4.450 20 0 JIADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001353780265 1068580057 /nfs/dbraw/zinc/58/00/57/1068580057.db2.gz CKGZNTRZLRKJKV-OAHLLOKOSA-N 0 0 458.486 4.426 20 0 JIADRN Cc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nn1-c1nc(C)cc(C)n1 ZINC001353781781 1068580956 /nfs/dbraw/zinc/58/09/56/1068580956.db2.gz VKNDUNBFZABRCB-IBGZPJMESA-N 0 0 454.534 4.331 20 0 JIADRN CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001353781859 1068581342 /nfs/dbraw/zinc/58/13/42/1068581342.db2.gz HHOJYGFNQPCIMW-CQSZACIVSA-N 0 0 456.486 4.423 20 0 JIADRN CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1coc2c1C(=O)NCCC2 ZINC001353782515 1068582073 /nfs/dbraw/zinc/58/20/73/1068582073.db2.gz LMNXDVTWXLGRPH-UHFFFAOYSA-N 0 0 454.504 4.122 20 0 JIADRN COc1cccc(C=C2CCN(c3nnc(-c4cnn(C)c4)n3CCOCCC(C)C)CC2)c1 ZINC001300408769 1068582920 /nfs/dbraw/zinc/58/29/20/1068582920.db2.gz NABOOUBFGHCLIO-UHFFFAOYSA-N 0 0 464.614 4.434 20 0 JIADRN COc1cccc(CC(=O)N2CCN(c3nnc(C(C)(C)C)n3CCO[C@H]3CCCC[C@H]3C)CC2)c1 ZINC001300408859 1068583592 /nfs/dbraw/zinc/58/35/92/1068583592.db2.gz NPAZSFWPBGMOTE-QPPBQGQZSA-N 0 0 497.684 4.071 20 0 JIADRN COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001300409030 1068585022 /nfs/dbraw/zinc/58/50/22/1068585022.db2.gz QGPWEPCIRILROZ-QZIVSUOLSA-N 0 0 458.496 4.270 20 0 JIADRN COc1cccc([C@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(OCC(F)(F)F)c3)CCO2)c1 ZINC001300409215 1068585093 /nfs/dbraw/zinc/58/50/93/1068585093.db2.gz SKXNXTKQFBXDMZ-HXUWFJFHSA-N 0 0 491.514 4.372 20 0 JIADRN CCOC(=O)N[C@H](CNC(=O)CCc1nc2cc(Br)ccc2s1)CC(C)C ZINC001353786705 1068585731 /nfs/dbraw/zinc/58/57/31/1068585731.db2.gz QGSBPYJFGSNAJG-AWEZNQCLSA-N 0 0 456.406 4.268 20 0 JIADRN CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)c2)c1C ZINC001353789560 1068587605 /nfs/dbraw/zinc/58/76/05/1068587605.db2.gz LUXUTAUZUWICRA-UHFFFAOYSA-N 0 0 454.596 4.333 20 0 JIADRN COc1cccc([C@H]2CN(c3nnc(C(C)C)n3C[C@](C)(O)c3cc(C)oc3C)CCO2)c1 ZINC001300410105 1068588555 /nfs/dbraw/zinc/58/85/55/1068588555.db2.gz UPDMJNOIHYXNFC-RDGATRHJSA-N 0 0 454.571 4.106 20 0 JIADRN COc1cccc([C@@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOC(F)F)CCO2)c1 ZINC001300410124 1068589368 /nfs/dbraw/zinc/58/93/68/1068589368.db2.gz UZGKLQIRJLRXTD-QHAWAJNXSA-N 0 0 494.583 4.413 20 0 JIADRN COc1cccc([C@H]2CN(c3nnc(-c4cccc(C)n4)n3C[C@@](C)(O)CCC(C)C)CCO2)c1 ZINC001300411884 1068593971 /nfs/dbraw/zinc/59/39/71/1068593971.db2.gz YMJPEYRPAMSYIP-SQHAQQRYSA-N 0 0 479.625 4.422 20 0 JIADRN COC(=O)Cc1csc(N(C)C(=O)c2csc(-c3ccc(Br)s3)n2)n1 ZINC001353798357 1068598159 /nfs/dbraw/zinc/59/81/59/1068598159.db2.gz SBDREYXREVEQNR-UHFFFAOYSA-N 0 0 458.384 4.083 20 0 JIADRN COc1cccc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001300413651 1068601606 /nfs/dbraw/zinc/60/16/06/1068601606.db2.gz MKDWZKSRUFYPND-DENIHFKCSA-N 0 0 485.629 4.217 20 0 JIADRN COc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001300414705 1068606019 /nfs/dbraw/zinc/60/60/19/1068606019.db2.gz BMIPZFVPFGOHIW-UHFFFAOYSA-N 0 0 497.665 4.305 20 0 JIADRN COc1cccc(CCn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001300415516 1068609242 /nfs/dbraw/zinc/60/92/42/1068609242.db2.gz LYJWTWBZJACBBN-FOIQADDNSA-N 0 0 462.520 4.026 20 0 JIADRN COc1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001300415911 1068610777 /nfs/dbraw/zinc/61/07/77/1068610777.db2.gz QWBKHZTULSPLPJ-FGZHOGPDSA-N 0 0 499.656 4.259 20 0 JIADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CCOCC(F)(F)C(F)F)n1C ZINC001353812598 1068613209 /nfs/dbraw/zinc/61/32/09/1068613209.db2.gz MSXMBHOWKKHYKV-UHFFFAOYSA-N 0 0 452.246 4.404 20 0 JIADRN CCc1ccc([C@@H](COC)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC001353814055 1068614396 /nfs/dbraw/zinc/61/43/96/1068614396.db2.gz UCOXAZSNWDBIGL-JOCHJYFZSA-N 0 0 456.564 4.093 20 0 JIADRN COc1cccc(CN(C)c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(F)(F)F)c1 ZINC001300418032 1068621028 /nfs/dbraw/zinc/62/10/28/1068621028.db2.gz RANPJGKFXPFPBK-UHFFFAOYSA-N 0 0 465.476 4.239 20 0 JIADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC001353819654 1068621632 /nfs/dbraw/zinc/62/16/32/1068621632.db2.gz BRZCTCUVMCTQDL-RUZDIDTESA-N 0 0 454.592 4.483 20 0 JIADRN Cc1cc(F)cc(-n2nc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c3c2CCC3)c1 ZINC001353821740 1068623848 /nfs/dbraw/zinc/62/38/48/1068623848.db2.gz HMBNAECMVWFZDC-INIZCTEOSA-N 0 0 455.555 4.045 20 0 JIADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc4c(C(F)F)nn(C)c4s3)c2)c1C ZINC001353821692 1068624138 /nfs/dbraw/zinc/62/41/38/1068624138.db2.gz GCZSBUDEAHNLPV-UHFFFAOYSA-N 0 0 459.478 4.496 20 0 JIADRN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001300420132 1068628931 /nfs/dbraw/zinc/62/89/31/1068628931.db2.gz YNGZWMDXYAADOH-UHFFFAOYSA-N 0 0 457.239 4.496 20 0 JIADRN 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ORRGAMZUNQGXSN-UHFFFAOYSA-N 0 0 454.361 4.320 20 0 JIADRN COc1cc(NC(=O)c2ncnc3ccsc32)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001353851869 1068662300 /nfs/dbraw/zinc/66/23/00/1068662300.db2.gz DPTISCJXGLVGFM-KBPBESRZSA-N 0 0 454.552 4.364 20 0 JIADRN COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)C)n2Cc2nccc(C(F)F)n2)c1 ZINC001300427335 1068664090 /nfs/dbraw/zinc/66/40/90/1068664090.db2.gz XAKCRNWYXUQBLL-IBGZPJMESA-N 0 0 472.540 4.372 20 0 JIADRN COc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001300427676 1068667737 /nfs/dbraw/zinc/66/77/37/1068667737.db2.gz BJFPUKLIICZKDB-HXUWFJFHSA-N 0 0 496.681 4.069 20 0 JIADRN COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1OC ZINC001300427809 1068668736 /nfs/dbraw/zinc/66/87/36/1068668736.db2.gz GGHPESDSNBVLFW-FQEVSTJZSA-N 0 0 497.684 4.407 20 0 JIADRN COc1cccc(Cn2c(CC(C)C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001300427713 1068668966 /nfs/dbraw/zinc/66/89/66/1068668966.db2.gz CKNOKUUFJCNVDU-UYAOXDASSA-N 0 0 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COc1cc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OCC(C)C ZINC001353868110 1068691126 /nfs/dbraw/zinc/69/11/26/1068691126.db2.gz ZWCSOLNJPPFFDO-AVRDEDQJSA-N 0 0 450.579 4.449 20 0 JIADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC001353868248 1068691334 /nfs/dbraw/zinc/69/13/34/1068691334.db2.gz ICHDPICIEUXQCV-LJQANCHMSA-N 0 0 453.564 4.293 20 0 JIADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)c2ccc(C)cc2)cc1 ZINC001353869831 1068693599 /nfs/dbraw/zinc/69/35/99/1068693599.db2.gz HKAFBQWQNMXXJD-IBGZPJMESA-N 0 0 452.576 4.362 20 0 JIADRN COc1cccc(CO[C@H]2CCN(c3nnc(Cc4cccnc4)n3CCCC(F)(F)F)C2)c1 ZINC001300435617 1068694429 /nfs/dbraw/zinc/69/44/29/1068694429.db2.gz OVRIGGYREWYUQH-NRFANRHFSA-N 0 0 475.515 4.411 20 0 JIADRN CCCCCN=c1c(Br)cccn1C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001353870865 1068695676 /nfs/dbraw/zinc/69/56/76/1068695676.db2.gz ZJSQQTOZRFWZBT-UHFFFAOYSA-N 0 0 450.352 4.331 20 0 JIADRN COc1cccc(CO[C@@H]2CCN(c3nnc(C4CCC4)n3CC(F)(F)Br)C2)c1 ZINC001300436507 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JIADRN O=C(c1cnc2ncc(Br)cc2c1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001300439532 1068709647 /nfs/dbraw/zinc/70/96/47/1068709647.db2.gz OPHNDPVKQGVRMG-CYBMUJFWSA-N 0 0 452.234 4.178 20 0 JIADRN COc1cccc(F)c1N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001300439725 1068710840 /nfs/dbraw/zinc/71/08/40/1068710840.db2.gz NKJNIIGAKRVWSV-RTWAWAEBSA-N 0 0 475.609 4.055 20 0 JIADRN COc1cccc(F)c1N1CCN(c2nnc(C3CCC3)n2CCSC(F)(F)F)CC1 ZINC001300439760 1068710851 /nfs/dbraw/zinc/71/08/51/1068710851.db2.gz NSRVILRQMIBDFU-UHFFFAOYSA-N 0 0 459.513 4.273 20 0 JIADRN COc1cccc(Cl)c1Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001300441004 1068714219 /nfs/dbraw/zinc/71/42/19/1068714219.db2.gz YSZPECXGVCFCAF-HNNXBMFYSA-N 0 0 461.994 4.311 20 0 JIADRN C[C@H]1CN(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CCN1CC(F)(F)F ZINC001200485555 1068715671 /nfs/dbraw/zinc/71/56/71/1068715671.db2.gz DVUQQJVBLINABX-MYGHRHJXSA-N 0 0 453.530 4.236 20 0 JIADRN COc1cccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCOCC(F)F)CC2)c1 ZINC001300442593 1068724578 /nfs/dbraw/zinc/72/45/78/1068724578.db2.gz LXLZYHRJTJQWGH-UHFFFAOYSA-N 0 0 492.958 4.001 20 0 JIADRN COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)c3cc(C)oc3C)CC2)c1 ZINC001300442895 1068725161 /nfs/dbraw/zinc/72/51/61/1068725161.db2.gz UXBAOBGABQUZFX-AREMUKBSSA-N 0 0 467.614 4.028 20 0 JIADRN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC001353894517 1068728965 /nfs/dbraw/zinc/72/89/65/1068728965.db2.gz ZPIQUKDYPBNIBU-SUMWQHHRSA-N 0 0 457.548 4.497 20 0 JIADRN CC[C@H](C)[C@H](C(=O)N[C@H](C)Cc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC001353897103 1068731625 /nfs/dbraw/zinc/73/16/25/1068731625.db2.gz GXKHCBIXRVNLQT-BXTJHSDWSA-N 0 0 457.368 4.207 20 0 JIADRN CC[C@H](C)[C@@H](C(=O)N[C@H](C)Cc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC001353897105 1068731820 /nfs/dbraw/zinc/73/18/20/1068731820.db2.gz GXKHCBIXRVNLQT-MDOVXXIYSA-N 0 0 457.368 4.207 20 0 JIADRN COc1cccc(O[C@H](C)Cn2c(C3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001300445013 1068732239 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0 0 467.010 4.395 20 0 JIADRN C[C@@H](OC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000849199395 1068953300 /nfs/dbraw/zinc/95/33/00/1068953300.db2.gz AMZCSKMTKVIXEK-GFCCVEGCSA-N 0 0 487.272 4.158 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCc1sc(C)nc1C ZINC001300535344 1068953984 /nfs/dbraw/zinc/95/39/84/1068953984.db2.gz IILZCLOWXVVARO-UHFFFAOYSA-N 0 0 479.654 4.180 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1cnccc1OC ZINC001300535409 1068954112 /nfs/dbraw/zinc/95/41/12/1068954112.db2.gz IVGWYWGZBIQJFI-UHFFFAOYSA-N 0 0 464.957 4.014 20 0 JIADRN COC(=O)C[C@@H](NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 ZINC001200585582 1068955923 /nfs/dbraw/zinc/95/59/23/1068955923.db2.gz AYHOAUXGYNMPAC-GOSISDBHSA-N 0 0 450.392 4.456 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCNC(=O)c1cccs1 ZINC001300535986 1068955996 /nfs/dbraw/zinc/95/59/96/1068955996.db2.gz MOHKWZLCTCWOGF-UHFFFAOYSA-N 0 0 497.024 4.054 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001300536521 1068957126 /nfs/dbraw/zinc/95/71/26/1068957126.db2.gz PTFRKEGUFOTMKL-RXVVDRJESA-N 0 0 466.630 4.069 20 0 JIADRN COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001300536790 1068958219 /nfs/dbraw/zinc/95/82/19/1068958219.db2.gz USXVOFGFJVXZDG-LAUBAEHRSA-N 0 0 455.990 4.113 20 0 JIADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCc2nc(-c3ccccc3)no2)c1 ZINC000849202306 1068959394 /nfs/dbraw/zinc/95/93/94/1068959394.db2.gz IMSWYVWCRXIDBI-UHFFFAOYSA-N 0 0 455.536 4.047 20 0 JIADRN CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001354187006 1068960994 /nfs/dbraw/zinc/96/09/94/1068960994.db2.gz DQOTXQCHSFTPOL-HNNXBMFYSA-N 0 0 457.246 4.067 20 0 JIADRN CN(C(=O)CCc1cc(Cl)ccc1Br)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001354187537 1068961679 /nfs/dbraw/zinc/96/16/79/1068961679.db2.gz MFEACMAYJWCUFZ-GOSISDBHSA-N 0 0 453.739 4.438 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[C@H]1CCCCO1 ZINC001492568975 1068963994 /nfs/dbraw/zinc/96/39/94/1068963994.db2.gz HUMXGLZQIKICGL-RTBURBONSA-N 0 0 451.537 4.286 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@H](C)c1nccs1 ZINC001492569039 1068964040 /nfs/dbraw/zinc/96/40/40/1068964040.db2.gz JOYAKTMZVWIHNN-OALUTQOASA-N 0 0 452.628 4.207 20 0 JIADRN O=C1C(N2CCOCC2)=CCCN1c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC001200587929 1068964097 /nfs/dbraw/zinc/96/40/97/1068964097.db2.gz CXQVCWNTEXQRPK-UHFFFAOYSA-N 0 0 460.962 4.241 20 0 JIADRN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000849206787 1068964570 /nfs/dbraw/zinc/96/45/70/1068964570.db2.gz MJVZSPPKJPKIPK-UHFFFAOYSA-N 0 0 462.889 4.240 20 0 JIADRN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O[C@H](C(C)=O)c1ccccc1 ZINC000848016055 1068965304 /nfs/dbraw/zinc/96/53/04/1068965304.db2.gz ZLKFUEVBLBMFDG-RTBURBONSA-N 0 0 490.430 4.267 20 0 JIADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@H](O)c3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849207774 1068965432 /nfs/dbraw/zinc/96/54/32/1068965432.db2.gz LNEGRNHBQJJJJX-FMGHJNRGSA-N 0 0 488.584 4.346 20 0 JIADRN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)n1 ZINC000849210049 1068967434 /nfs/dbraw/zinc/96/74/34/1068967434.db2.gz OSGGTOSHPPLOOC-UHFFFAOYSA-N 0 0 474.381 4.077 20 0 JIADRN CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001354197334 1068968937 /nfs/dbraw/zinc/96/89/37/1068968937.db2.gz CUZICPFBVKNNEF-FGZHOGPDSA-N 0 0 451.567 4.297 20 0 JIADRN CCc1cc2oc(=O)cc(COC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)c2cc1Cl ZINC000849211070 1068969127 /nfs/dbraw/zinc/96/91/27/1068969127.db2.gz AXTICLXFRKPICI-UHFFFAOYSA-N 0 0 470.934 4.392 20 0 JIADRN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000849211536 1068970865 /nfs/dbraw/zinc/97/08/65/1068970865.db2.gz MXSQHWHTPPZCRT-OAQYLSRUSA-N 0 0 479.627 4.187 20 0 JIADRN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000849211875 1068970886 /nfs/dbraw/zinc/97/08/86/1068970886.db2.gz OMMNBCPTTKRXJE-UHFFFAOYSA-N 0 0 487.537 4.248 20 0 JIADRN CC[C@H](c1nnc(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)s1)c1ccccc1 ZINC000504032481 1068971259 /nfs/dbraw/zinc/97/12/59/1068971259.db2.gz BHVWGLOHAWKAJF-LEWJYISDSA-N 0 0 451.596 4.275 20 0 JIADRN CC[C@@H](c1nnc(NC(=O)NCc2nnc3ccc(C(F)(F)F)cn32)s1)c1ccccc1 ZINC000504042156 1068977369 /nfs/dbraw/zinc/97/73/69/1068977369.db2.gz YOCQJNSSDKHUEQ-CQSZACIVSA-N 0 0 461.473 4.463 20 0 JIADRN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C)cc2Br)cc1 ZINC001354207222 1068977809 /nfs/dbraw/zinc/97/78/09/1068977809.db2.gz DNTWWBHCTGNNTB-UHFFFAOYSA-N 0 0 453.402 4.359 20 0 JIADRN O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001300543856 1068979023 /nfs/dbraw/zinc/97/90/23/1068979023.db2.gz XINNVWIZLFHVLB-ZFWWWQNUSA-N 0 0 452.395 4.207 20 0 JIADRN COc1ccccc1Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1[C@@H]1C[C@H]1CF ZINC001300546011 1068983344 /nfs/dbraw/zinc/98/33/44/1068983344.db2.gz APOBYCVBJOKHFD-DOTOQJQBSA-N 0 0 495.418 4.231 20 0 JIADRN COc1ccccc1Cc1nnc(N(CCC(F)(F)F)CC2CC2)n1Cc1c(C)nn(C)c1C ZINC001300546048 1068983953 /nfs/dbraw/zinc/98/39/53/1068983953.db2.gz BYHVXEJDYUDIFU-UHFFFAOYSA-N 0 0 476.547 4.445 20 0 JIADRN NC(=O)CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1 ZINC001200597648 1068987471 /nfs/dbraw/zinc/98/74/71/1068987471.db2.gz XYPFANGHLWYHJL-IBGZPJMESA-N 0 0 458.946 4.192 20 0 JIADRN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1C(C)C ZINC001354217115 1068988125 /nfs/dbraw/zinc/98/81/25/1068988125.db2.gz MFDLTJGMQSFGER-UHFFFAOYSA-N 0 0 455.356 4.435 20 0 JIADRN COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001300549549 1068995472 /nfs/dbraw/zinc/99/54/72/1068995472.db2.gz YZBDMUFKIAGYIL-ORVPSHMPSA-N 0 0 456.631 4.332 20 0 JIADRN CC(C)(c1nnc(NC(=O)N2CCN(c3ncnc4sccc43)CC2)s1)c1ccccc1 ZINC000504072250 1068996387 /nfs/dbraw/zinc/99/63/87/1068996387.db2.gz YEEFHNDTVFXAET-UHFFFAOYSA-N 0 0 465.608 4.223 20 0 JIADRN COc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001354220977 1068996959 /nfs/dbraw/zinc/99/69/59/1068996959.db2.gz LVHXHYNGZNLRQI-SJCJKPOMSA-N 0 0 456.486 4.222 20 0 JIADRN COc1ccccc1Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCC(C)(C)C1CC1 ZINC001300550415 1068997512 /nfs/dbraw/zinc/99/75/12/1068997512.db2.gz CMOPAUNJJXSSQF-GOSISDBHSA-N 0 0 493.574 4.209 20 0 JIADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC001354221786 1068997679 /nfs/dbraw/zinc/99/76/79/1068997679.db2.gz OIXDPHCAWQDCCT-ZVLPSXPJSA-N 0 0 450.579 4.324 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001300550420 1068998331 /nfs/dbraw/zinc/99/83/31/1068998331.db2.gz COCUOMLSFLCRCD-BVAGGSTKSA-N 0 0 497.684 4.022 20 0 JIADRN Cc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001492586021 1068999433 /nfs/dbraw/zinc/99/94/33/1068999433.db2.gz VCPRAIDHBXWXAZ-FQEVSTJZSA-N 0 0 457.619 4.097 20 0 JIADRN Cc1ccccc1Cc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCOCC(F)(F)C(F)F ZINC001492586046 1068999569 /nfs/dbraw/zinc/99/95/69/1068999569.db2.gz VZLYQEVRVYDJGW-IBGZPJMESA-N 0 0 480.510 4.169 20 0 JIADRN CC(C)(C)OC(=O)NC1(CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CCCC1 ZINC001300550882 1068999634 /nfs/dbraw/zinc/99/96/34/1068999634.db2.gz UZCZZTAKYAGTTF-UHFFFAOYSA-N 0 0 451.567 4.037 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[C@H]1CCOC1 ZINC001300551843 1069001886 /nfs/dbraw/zinc/00/18/86/1069001886.db2.gz HJXDBGOJIXYDTF-KRWDZBQOSA-N 0 0 461.404 4.183 20 0 JIADRN COc1ccccc1Cc1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CC(C)(C)C(F)(F)F ZINC001300552180 1069002357 /nfs/dbraw/zinc/00/23/57/1069002357.db2.gz JJOLXOILHBEXCB-KRWDZBQOSA-N 0 0 462.520 4.193 20 0 JIADRN Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCSCC(F)(F)F ZINC001492586477 1069003058 /nfs/dbraw/zinc/00/30/58/1069003058.db2.gz IVNIXIRNOFGJGG-UHFFFAOYSA-N 0 0 498.619 4.103 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492570544 1069003374 /nfs/dbraw/zinc/00/33/74/1069003374.db2.gz CTBNJMFTYREXBF-PTUXOGIPSA-N 0 0 499.656 4.141 20 0 JIADRN COc1ccc(-n2nc(C(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)cc2C)cc1 ZINC001354231179 1069007370 /nfs/dbraw/zinc/00/73/70/1069007370.db2.gz GIWVOQBFPCDWBS-UHFFFAOYSA-N 0 0 454.836 4.065 20 0 JIADRN CN(C(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)c1)c1ccccc1 ZINC001354237661 1069009587 /nfs/dbraw/zinc/00/95/87/1069009587.db2.gz RVSRBCXFXLFEAS-FMIVXFBMSA-N 0 0 458.923 4.265 20 0 JIADRN COc1ccccc1Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@H]1C ZINC001300555893 1069011187 /nfs/dbraw/zinc/01/11/87/1069011187.db2.gz KBDRTWPLXBOPFA-XLIONFOSSA-N 0 0 455.603 4.200 20 0 JIADRN Cc1ccccc1-c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001492569893 1069011701 /nfs/dbraw/zinc/01/17/01/1069011701.db2.gz LFSYMLLXHQMWOM-UHFFFAOYSA-N 0 0 475.703 4.025 20 0 JIADRN CC(C)n1c2ccc(C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)cc2nc1C(F)(F)F ZINC001354239341 1069013041 /nfs/dbraw/zinc/01/30/41/1069013041.db2.gz JMGJNZLGDHSMOS-UHFFFAOYSA-N 0 0 459.428 4.287 20 0 JIADRN CCc1ccc([C@@H](O)CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1 ZINC001200606791 1069013664 /nfs/dbraw/zinc/01/36/64/1069013664.db2.gz PERKVGSTHHXNAF-NRFANRHFSA-N 0 0 457.372 4.306 20 0 JIADRN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cc1 ZINC001354240328 1069014991 /nfs/dbraw/zinc/01/49/91/1069014991.db2.gz XJOKOPYAUMQKFK-UHFFFAOYSA-N 0 0 455.555 4.009 20 0 JIADRN COC(=O)Cc1occ(C)c1C(=O)N(c1ccc(CNC(=O)OC(C)(C)C)cc1C)C1CC1 ZINC001354242132 1069016469 /nfs/dbraw/zinc/01/64/69/1069016469.db2.gz SJDKIZSNPCTUBO-UHFFFAOYSA-N 0 0 456.539 4.446 20 0 JIADRN COc1ccccc1Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@](C)(O)C(C)C ZINC001300557373 1069016601 /nfs/dbraw/zinc/01/66/01/1069016601.db2.gz LMIALDVQVLSPPY-BWAGFHJFSA-N 0 0 467.441 4.305 20 0 JIADRN COc1ccccc1Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@@](C)(O)C(C)C ZINC001300557376 1069017268 /nfs/dbraw/zinc/01/72/68/1069017268.db2.gz LMIALDVQVLSPPY-VLCRHTCISA-N 0 0 467.441 4.305 20 0 JIADRN Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001492587092 1069019991 /nfs/dbraw/zinc/01/99/91/1069019991.db2.gz DKLQQODHIDCCJZ-KAOXLYBCSA-N 0 0 467.658 4.074 20 0 JIADRN Cc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492571836 1069021157 /nfs/dbraw/zinc/02/11/57/1069021157.db2.gz KWJYZIRQXICEHO-NRFANRHFSA-N 0 0 496.656 4.467 20 0 JIADRN COc1ccc(-c2cc(CNC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)on2)cc1 ZINC001300558656 1069021757 /nfs/dbraw/zinc/02/17/57/1069021757.db2.gz OCKFTQCMZDPHSC-UHFFFAOYSA-N 0 0 459.955 4.234 20 0 JIADRN COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)Cc3cc[nH]c(=O)c3Br)cc21 ZINC001354250828 1069022913 /nfs/dbraw/zinc/02/29/13/1069022913.db2.gz GEWPAYZEJOOAIE-UHFFFAOYSA-N 0 0 459.296 4.082 20 0 JIADRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br)c1ccc(OC)cc1 ZINC000849367397 1069024503 /nfs/dbraw/zinc/02/45/03/1069024503.db2.gz QUZBMDZQXBCNHO-HXUWFJFHSA-N 0 0 483.428 4.273 20 0 JIADRN 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/nfs/dbraw/zinc/31/12/26/1064311226.db2.gz WRABRVALICOKBO-HOCLYGCPSA-N 0 0 490.402 4.059 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(OCC(F)(F)F)nc2)cc1C ZINC001315473468 1064315991 /nfs/dbraw/zinc/31/59/91/1064315991.db2.gz JDPZCIRQGSALMS-UHFFFAOYSA-N 0 0 499.497 4.073 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)cc1O ZINC001315474225 1064318808 /nfs/dbraw/zinc/31/88/08/1064318808.db2.gz NRHRFEGXUFHZSW-UHFFFAOYSA-N 0 0 483.638 4.152 20 0 JIADRN COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)cc1O ZINC001315475137 1064322607 /nfs/dbraw/zinc/32/26/07/1064322607.db2.gz RKUAMRZPINQRJH-XMMPIXPASA-N 0 0 471.989 4.285 20 0 JIADRN COc1ccc(CN(C)c2nnc(C3CCC3)n2Cc2nnc(C(C)(C)C)s2)cc1OC ZINC001315475136 1064322736 /nfs/dbraw/zinc/32/27/36/1064322736.db2.gz ADIMXNCUCRFLBK-UHFFFAOYSA-N 0 0 456.616 4.397 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@@H]2C)cc1O ZINC001315475317 1064324158 /nfs/dbraw/zinc/32/41/58/1064324158.db2.gz 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ZINC001315481435 1064343080 /nfs/dbraw/zinc/34/30/80/1064343080.db2.gz HBNMETZEZMGZSV-KDURUIRLSA-N 0 0 497.596 4.349 20 0 JIADRN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)C(C)(C)C2)c(C(F)(F)F)c1 ZINC001315482572 1064345559 /nfs/dbraw/zinc/34/55/59/1064345559.db2.gz OFHULJJYGNPTEB-HNNXBMFYSA-N 0 0 467.536 4.364 20 0 JIADRN COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOC(C)C)c(OC)c1 ZINC001315483076 1064347210 /nfs/dbraw/zinc/34/72/10/1064347210.db2.gz ISSQYZKAJMDJDI-IFMALSPDSA-N 0 0 460.619 4.275 20 0 JIADRN COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(C)(C)C)CC2)cc1Cl ZINC001315483780 1064349392 /nfs/dbraw/zinc/34/93/92/1064349392.db2.gz QFLYTIVSWVYGMO-UHFFFAOYSA-N 0 0 458.006 4.407 20 0 JIADRN COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ncc(C)s2)cc1 ZINC001315483700 1064349419 /nfs/dbraw/zinc/34/94/19/1064349419.db2.gz SPDZHVKIICEWSS-INIZCTEOSA-N 0 0 496.662 4.483 20 0 JIADRN COc1ccc(CN(CCO)c2nnc(C3CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c(OC)c1 ZINC001315483858 1064351140 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COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CCOc2ccccc2Cl)cn1 ZINC001315486741 1064359176 /nfs/dbraw/zinc/35/91/76/1064359176.db2.gz IZNRHTANKXPCNN-UHFFFAOYSA-N 0 0 453.930 4.467 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H]2C)cc1OC ZINC001315486913 1064360085 /nfs/dbraw/zinc/36/00/85/1064360085.db2.gz FOFGYTBLEDMSOA-CQSZACIVSA-N 0 0 460.376 4.100 20 0 JIADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(OC)c1OC ZINC001315488319 1064365000 /nfs/dbraw/zinc/36/50/00/1064365000.db2.gz QKRLBADWCMIMCB-IYBDPMFKSA-N 0 0 473.524 4.142 20 0 JIADRN COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C(F)F)C2)cc1O ZINC001315489329 1064368839 /nfs/dbraw/zinc/36/88/39/1064368839.db2.gz XJHDRNRROAHXPP-AWEZNQCLSA-N 0 0 496.356 4.290 20 0 JIADRN COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(OC(C)C)CC2)c(OC)c1 ZINC001315489247 1064368871 /nfs/dbraw/zinc/36/88/71/1064368871.db2.gz MJHCINOGMPSGKH-UHFFFAOYSA-N 0 0 471.989 4.453 20 0 JIADRN COc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCSC[C@H]2C)cn1 ZINC001315489496 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PSFHRVKACNCIOT-GMAHTHKFSA-N 0 0 499.656 4.311 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC2CCCC2)cc1OC(F)F ZINC001315495351 1064386889 /nfs/dbraw/zinc/38/68/89/1064386889.db2.gz TYYQIKCVIPEZSA-SFHVURJKSA-N 0 0 450.530 4.457 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001315496771 1064389206 /nfs/dbraw/zinc/38/92/06/1064389206.db2.gz UQXWBDAPDYCEQZ-MRRJBJDNSA-N 0 0 494.436 4.014 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001315496739 1064389217 /nfs/dbraw/zinc/38/92/17/1064389217.db2.gz GQNYWUIIUPFWAL-UHFFFAOYSA-N 0 0 487.645 4.465 20 0 JIADRN COc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)cc1Cl ZINC001315497188 1064390099 /nfs/dbraw/zinc/39/00/99/1064390099.db2.gz JCFXQOLYAUIYHW-LJQANCHMSA-N 0 0 490.004 4.063 20 0 JIADRN COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC001315497643 1064390812 /nfs/dbraw/zinc/39/08/12/1064390812.db2.gz MZEDVHFUYILPJM-WAIKUNEKSA-N 0 0 482.547 4.327 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccco2)c(C(F)(F)F)c1 ZINC001315498581 1064394421 /nfs/dbraw/zinc/39/44/21/1064394421.db2.gz VDJOVAFOBGBMNG-GOEBONIOSA-N 0 0 498.527 4.046 20 0 JIADRN COc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](O)CC3(CCCC3)C2)cc1OC(F)F ZINC001315500514 1064400343 /nfs/dbraw/zinc/40/03/43/1064400343.db2.gz IHMBMXIDKRPNMB-GOSISDBHSA-N 0 0 464.557 4.266 20 0 JIADRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)OC(C)(C)C2)cc1Br ZINC001315500687 1064400989 /nfs/dbraw/zinc/40/09/89/1064400989.db2.gz FPJLDCOSFBKLLJ-INIZCTEOSA-N 0 0 486.414 4.087 20 0 JIADRN COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](SC)C2)cc1O ZINC001315503279 1064408298 /nfs/dbraw/zinc/40/82/98/1064408298.db2.gz OUFNKCINXSRYHJ-SFHVURJKSA-N 0 0 459.641 4.118 20 0 JIADRN COc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@](C)(OC)C2)c(OC)c1OC ZINC001315504011 1064411625 /nfs/dbraw/zinc/41/16/25/1064411625.db2.gz TYKUOZMVWPWKJO-XMMPIXPASA-N 0 0 472.611 4.010 20 0 JIADRN COc1ccc(Cn2c(CC3CC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)c(C(F)(F)F)c1 ZINC001315504048 1064412803 /nfs/dbraw/zinc/41/28/03/1064412803.db2.gz UYLPTQRXNJFWAO-UHFFFAOYSA-N 0 0 495.546 4.221 20 0 JIADRN COc1ccc(CN2CCN(c3nnc(-c4ccc[nH]4)n3CCSCC(C)C)CC2)cc1F ZINC001315504435 1064414624 /nfs/dbraw/zinc/41/46/24/1064414624.db2.gz CLSRBVLJUHZPBW-UHFFFAOYSA-N 0 0 472.634 4.132 20 0 JIADRN COc1ccc(Cn2c(CSc3ccccc3OC)nnc2N2CCS[C@H](C)[C@H]2C)cn1 ZINC001315505034 1064417283 /nfs/dbraw/zinc/41/72/83/1064417283.db2.gz FJTFRIIDGDEGLF-IAGOWNOFSA-N 0 0 471.652 4.361 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccc(C)o2)cc1O ZINC001315505095 1064418044 /nfs/dbraw/zinc/41/80/44/1064418044.db2.gz GNXWIDSSFSZCNB-KDURUIRLSA-N 0 0 497.596 4.349 20 0 JIADRN COc1ccc(CN2CCN(c3nnc([C@H]4CCCCO4)n3CCCCSC)CC2)cc1F ZINC001315505170 1064418140 /nfs/dbraw/zinc/41/81/40/1064418140.db2.gz NYPHFFBEFQEGKK-JOCHJYFZSA-N 0 0 477.650 4.133 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(F)(F)F)c(OC)c1OC ZINC001315506128 1064422661 /nfs/dbraw/zinc/42/26/61/1064422661.db2.gz KPAAEHDPUDWDHQ-DNVCBOLYSA-N 0 0 486.535 4.269 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C)[C@@H]2C)cc1O ZINC001315506229 1064422751 /nfs/dbraw/zinc/42/27/51/1064422751.db2.gz LSTSDLLYLKWPQB-LTVCHDBBSA-N 0 0 460.644 4.289 20 0 JIADRN COc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(OC)n1 ZINC001315506620 1064424425 /nfs/dbraw/zinc/42/44/25/1064424425.db2.gz RRETZVRBNDKZLR-HDICACEKSA-N 0 0 487.551 4.354 20 0 JIADRN COc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)cc1 ZINC001315506577 1064424490 /nfs/dbraw/zinc/42/44/90/1064424490.db2.gz NNLKSDKYKIQXBB-NQIIRXRSSA-N 0 0 471.602 4.022 20 0 JIADRN COc1ccc(Cn2c(N3CCC4(CCN(C)C4=O)CC3)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315506782 1064425053 /nfs/dbraw/zinc/42/50/53/1064425053.db2.gz GCYMCZUERFKEFT-UHFFFAOYSA-N 0 0 479.547 4.100 20 0 JIADRN COc1ccc(Cn2c(COc3ccccc3OC)nnc2N(C)[C@H]2CCC[C@H](C)C2)c(OC)n1 ZINC001315506706 1064425157 /nfs/dbraw/zinc/42/51/57/1064425157.db2.gz VCCQDQNUUOAERQ-ICSRJNTNSA-N 0 0 481.597 4.341 20 0 JIADRN COc1ccc(Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](C(C)C)C2)cn1 ZINC001315507208 1064426846 /nfs/dbraw/zinc/42/68/46/1064426846.db2.gz YRQIOYSMHQPMRG-HXUWFJFHSA-N 0 0 451.571 4.190 20 0 JIADRN COc1ccc(CN2CCCN(c3nnc(C4CCC4)n3CCCC(F)(F)F)CC2=O)cc1 ZINC001315507256 1064427508 /nfs/dbraw/zinc/42/75/08/1064427508.db2.gz NQDNXPYWTWBGEG-UHFFFAOYSA-N 0 0 465.520 4.136 20 0 JIADRN COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)cc1 ZINC001315507318 1064427626 /nfs/dbraw/zinc/42/76/26/1064427626.db2.gz ZIPDBHAQAGPGGT-BGYRXZFFSA-N 0 0 467.570 4.335 20 0 JIADRN COc1ccc(Cn2c(N3CCN(CC(C)C)C(=O)[C@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315507520 1064428419 /nfs/dbraw/zinc/42/84/19/1064428419.db2.gz VNEXNBWXPXFZJD-MRXNPFEDSA-N 0 0 481.563 4.344 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cnc(C(C)C)nc2)cc1OC(F)F ZINC001315508283 1064431717 /nfs/dbraw/zinc/43/17/17/1064431717.db2.gz ZOQSVGMMGKYBLJ-LJQANCHMSA-N 0 0 488.539 4.338 20 0 JIADRN COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](OCC(C)C)C2)cc1OC(F)F ZINC001315508154 1064431744 /nfs/dbraw/zinc/43/17/44/1064431744.db2.gz XFLHCYNQLKIKMS-PKOBYXMFSA-N 0 0 466.529 4.039 20 0 JIADRN COc1ccc(Cn2c(N3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cn1 ZINC001315508487 1064432554 /nfs/dbraw/zinc/43/25/54/1064432554.db2.gz ZSBXBYDZKQGTTM-IEBWSBKVSA-N 0 0 472.634 4.157 20 0 JIADRN COc1ccc(COCCCn2c(N3CCCN(c4nccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001315508632 1064433482 /nfs/dbraw/zinc/43/34/82/1064433482.db2.gz DQUOOQUUXBSSRZ-UHFFFAOYSA-N 0 0 484.670 4.364 20 0 JIADRN COc1ccc(COCCCn2c(N3C[C@@H](O)CC4(CCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001315509298 1064435924 /nfs/dbraw/zinc/43/59/24/1064435924.db2.gz YCWLKAIUCWLCEH-NRFANRHFSA-N 0 0 456.631 4.323 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCCO2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001315509579 1064437021 /nfs/dbraw/zinc/43/70/21/1064437021.db2.gz CVKALGTVDXYEIY-OAQYLSRUSA-N 0 0 490.048 4.467 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)nc1 ZINC001315509713 1064437675 /nfs/dbraw/zinc/43/76/75/1064437675.db2.gz FBVQHSJZZWRFEJ-UHFFFAOYSA-N 0 0 485.032 4.055 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC1(C)C ZINC001315509707 1064437709 /nfs/dbraw/zinc/43/77/09/1064437709.db2.gz GIQKRLYHEUOFLR-UHFFFAOYSA-N 0 0 460.003 4.359 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001315510143 1064440122 /nfs/dbraw/zinc/44/01/22/1064440122.db2.gz PMQYOTUNBMNOBZ-CQSZACIVSA-N 0 0 457.928 4.014 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001315511064 1064444282 /nfs/dbraw/zinc/44/42/82/1064444282.db2.gz RASVWOVDBXMQGY-HNAYVOBHSA-N 0 0 487.954 4.312 20 0 JIADRN COc1ccc(COCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001315511752 1064448021 /nfs/dbraw/zinc/44/80/21/1064448021.db2.gz AXIPKPWLMARIHM-JTHBVZDNSA-N 0 0 472.630 4.181 20 0 JIADRN COc1ccc(COCCn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001315511615 1064448220 /nfs/dbraw/zinc/44/82/20/1064448220.db2.gz APCFTLBJVVTZHU-NRFANRHFSA-N 0 0 453.587 4.283 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001315511765 1064448238 /nfs/dbraw/zinc/44/82/38/1064448238.db2.gz BPHJIUKHULADNI-SFHVURJKSA-N 0 0 497.043 4.429 20 0 JIADRN COc1ccc(COCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 ZINC001315512440 1064451044 /nfs/dbraw/zinc/45/10/44/1064451044.db2.gz GIVGNLMNUBIWIZ-QFQXNSOFSA-N 0 0 472.630 4.039 20 0 JIADRN COc1ccc(COCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 ZINC001315512444 1064451075 /nfs/dbraw/zinc/45/10/75/1064451075.db2.gz GIVGNLMNUBIWIZ-RLWLMLJZSA-N 0 0 472.630 4.039 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCOCC1 ZINC001315512640 1064451907 /nfs/dbraw/zinc/45/19/07/1064451907.db2.gz RKWAFXNIGXHBEW-INIZCTEOSA-N 0 0 491.423 4.013 20 0 JIADRN COc1ccc(F)cc1Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001315512903 1064452506 /nfs/dbraw/zinc/45/25/06/1064452506.db2.gz TTWVIEIYISTITK-YBOAYWMSSA-N 0 0 486.510 4.149 20 0 JIADRN COc1ccc(COCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001315513212 1064454339 /nfs/dbraw/zinc/45/43/39/1064454339.db2.gz IVWKENXOLHSOMG-OAQYLSRUSA-N 0 0 485.673 4.223 20 0 JIADRN COc1ccc(Cl)cc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)C1CCCCC1 ZINC001315513938 1064457006 /nfs/dbraw/zinc/45/70/06/1064457006.db2.gz XPSBUJQNIMPTQF-XMMPIXPASA-N 0 0 478.037 4.046 20 0 JIADRN COc1ccc(Cl)cc1Cn1c(C(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001315514164 1064458071 /nfs/dbraw/zinc/45/80/71/1064458071.db2.gz MRCHJRHHHPZFHH-UHFFFAOYSA-N 0 0 463.051 4.115 20 0 JIADRN COc1ccc(F)cc1CN1CCN(c2nnc(C3CCC3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001315515462 1064462425 /nfs/dbraw/zinc/46/24/25/1064462425.db2.gz MZRWNUUUPMUCIM-JOCHJYFZSA-N 0 0 459.610 4.077 20 0 JIADRN COc1ccc(F)cc1CN1CCN(c2nnc(CC(C)C)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001315515705 1064463345 /nfs/dbraw/zinc/46/33/45/1064463345.db2.gz QXTPDWYKMBRYKH-QFIPXVFZSA-N 0 0 461.626 4.008 20 0 JIADRN COc1ccc(F)cc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C)C1 ZINC001315516216 1064464182 /nfs/dbraw/zinc/46/41/82/1064464182.db2.gz SENALRDGUMDRPW-AWEZNQCLSA-N 0 0 462.367 4.478 20 0 JIADRN COc1ccc(OC)c(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001315516422 1064465055 /nfs/dbraw/zinc/46/50/55/1064465055.db2.gz CVCJMGMYUGRHEW-DEOSSOPVSA-N 0 0 479.625 4.165 20 0 JIADRN COc1ccc(OC)c(CCCn2c(C(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)c1 ZINC001315516434 1064465230 /nfs/dbraw/zinc/46/52/30/1064465230.db2.gz DEUITHVXISZIPL-NRFANRHFSA-N 0 0 484.601 4.136 20 0 JIADRN COc1ccc(OC)c(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC001315516963 1064466800 /nfs/dbraw/zinc/46/68/00/1064466800.db2.gz OCUCBOYJVRQQHX-ASHZAFPQSA-N 0 0 486.657 4.289 20 0 JIADRN COc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](CC(C)C)C2)cc1 ZINC001315517028 1064466829 /nfs/dbraw/zinc/46/68/29/1064466829.db2.gz ARSDTFNRPSWRBZ-VQTJNVASSA-N 0 0 478.597 4.274 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](C)[C@H](OC)C2)cc1 ZINC001315517732 1064471337 /nfs/dbraw/zinc/47/13/37/1064471337.db2.gz GIKZFWKAIXFWNF-CSODHUTKSA-N 0 0 471.989 4.331 20 0 JIADRN COc1ccc(O[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC001315517762 1064472200 /nfs/dbraw/zinc/47/22/00/1064472200.db2.gz GWCJNAQNPSRBQY-WMZOPIPTSA-N 0 0 493.530 4.395 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001315518922 1064475390 /nfs/dbraw/zinc/47/53/90/1064475390.db2.gz MJSILRKCQIRPQV-OAHLLOKOSA-N 0 0 489.502 4.138 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001315518892 1064475609 /nfs/dbraw/zinc/47/56/09/1064475609.db2.gz MCOPRGSKNBLDQV-BRWVUGGUSA-N 0 0 457.962 4.083 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(-c3cccn3C)nnc2N2CCC(F)(F)CC2)c1 ZINC001315519791 1064478906 /nfs/dbraw/zinc/47/89/06/1064478906.db2.gz HZGPRVODDUSLFK-UHFFFAOYSA-N 0 0 453.440 4.177 20 0 JIADRN COc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(c3ncccc3F)CC2)cc1 ZINC001315519936 1064479671 /nfs/dbraw/zinc/47/96/71/1064479671.db2.gz QTPYIMRTTPBATJ-IBGZPJMESA-N 0 0 468.577 4.128 20 0 JIADRN COc1ccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC001315519876 1064479687 /nfs/dbraw/zinc/47/96/87/1064479687.db2.gz PUYDURLQZFSWSM-WOJBJXKFSA-N 0 0 483.657 4.399 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(-c3cccnc3)nnc2N2CCC[C@@](C)(OC)CC2)c1 ZINC001315520152 1064480630 /nfs/dbraw/zinc/48/06/30/1064480630.db2.gz MEBZFTKBVBYJFQ-XMMPIXPASA-N 0 0 473.524 4.394 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCC3=O)CC2)c1 ZINC001315520365 1064480694 /nfs/dbraw/zinc/48/06/94/1064480694.db2.gz MQEKNHAVEQTKFG-UHFFFAOYSA-N 0 0 491.583 4.116 20 0 JIADRN COc1ccc(O[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(C)C)CC2)cc1 ZINC001315520342 1064481448 /nfs/dbraw/zinc/48/14/48/1064481448.db2.gz OLXHBVAQWWJRFP-NRFANRHFSA-N 0 0 466.630 4.488 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c1 ZINC001315520965 1064483864 /nfs/dbraw/zinc/48/38/64/1064483864.db2.gz SZFNSBVIFKQKOS-SSOJOUAXSA-N 0 0 494.583 4.472 20 0 JIADRN COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)c1 ZINC001315521027 1064484677 /nfs/dbraw/zinc/48/46/77/1064484677.db2.gz VTQNPMTVEKZPRV-CQSZACIVSA-N 0 0 499.356 4.319 20 0 JIADRN COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3CCCc3nc(C)no3)CC2)cc1 ZINC001315521722 1064487192 /nfs/dbraw/zinc/48/71/92/1064487192.db2.gz AVDASUFNUJZZIV-UHFFFAOYSA-N 0 0 468.602 4.247 20 0 JIADRN COc1ccc(O[C@@H](C)Cn2c(N3CCC[C@H](Cn4nc(C)nc4C)C3)nnc2C(C)(C)C)cc1 ZINC001315521649 1064487361 /nfs/dbraw/zinc/48/73/61/1064487361.db2.gz YOKXHLKGYXSRHN-RXVVDRJESA-N 0 0 481.645 4.177 20 0 JIADRN 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COCCO[C@H](C)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1ccccc1C(F)(F)F ZINC001316215524 1065925310 /nfs/dbraw/zinc/92/53/10/1065925310.db2.gz BPZPOUOZPVLHNY-XHSDSOJGSA-N 0 0 458.550 4.399 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccccc1-c1cnn(C)c1 ZINC001316215410 1065925614 /nfs/dbraw/zinc/92/56/14/1065925614.db2.gz JDDGLXGLEGLHIH-CBGDNZLLSA-N 0 0 492.546 4.086 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1(OC)CCC(C)CC1 ZINC001316216150 1065926943 /nfs/dbraw/zinc/92/69/43/1065926943.db2.gz KRMSFNJDAOZSIC-ZXXPYMPCSA-N 0 0 462.557 4.232 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2CCSC[C@@H]2C)n1Cc1cccc(COC(C)(C)C)c1 ZINC001316216530 1065927543 /nfs/dbraw/zinc/92/75/43/1065927543.db2.gz PZEHSLPCFRTVMR-OALUTQOASA-N 0 0 462.660 4.307 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001316216731 1065927684 /nfs/dbraw/zinc/92/76/84/1065927684.db2.gz LOMZSAXPEBDASD-XHSDSOJGSA-N 0 0 472.964 4.440 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCS[C@H](C)C2)n1CC1(c2ccccc2C)CCOCC1 ZINC001316219153 1065932374 /nfs/dbraw/zinc/93/23/74/1065932374.db2.gz NAUNGWGNYQSTIT-NHCUHLMSSA-N 0 0 474.671 4.001 20 0 JIADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc(OC(F)F)cc1 ZINC001316219720 1065932825 /nfs/dbraw/zinc/93/28/25/1065932825.db2.gz XQXSBXQFEMAPFF-OWCLPIDISA-N 0 0 474.499 4.379 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1Cc1ccc(C)cc1SC ZINC001316220031 1065933669 /nfs/dbraw/zinc/93/36/69/1065933669.db2.gz IBUIZYAZKXOPSB-HKUYNNGSSA-N 0 0 489.667 4.115 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCCc1nccs1 ZINC001316220198 1065934096 /nfs/dbraw/zinc/93/40/96/1065934096.db2.gz HORWJBWWMWIBFU-LJQANCHMSA-N 0 0 463.648 4.021 20 0 JIADRN COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1ccc(Cl)cc1F ZINC001316220348 1065934851 /nfs/dbraw/zinc/93/48/51/1065934851.db2.gz JKSRXFTTZNYQGA-YWZLYKJASA-N 0 0 464.925 4.014 20 0 JIADRN COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCc1cc(C)ccc1OC ZINC001316221889 1065936489 /nfs/dbraw/zinc/93/64/89/1065936489.db2.gz RQRMIUUVPXOCAF-JOCHJYFZSA-N 0 0 486.657 4.491 20 0 JIADRN COCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](C)[C@@H]2C)cc1 ZINC001316223927 1065940066 /nfs/dbraw/zinc/94/00/66/1065940066.db2.gz FCSXYLNSQJCFDQ-RBUKOAKNSA-N 0 0 453.612 4.052 20 0 JIADRN COCCOC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCSC(C)(C)C2)CCOCC1 ZINC001316223840 1065940187 /nfs/dbraw/zinc/94/01/87/1065940187.db2.gz BCPWEGYVDOHKMH-UHFFFAOYSA-N 0 0 499.052 4.282 20 0 JIADRN COCCO[C@@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CC1CCC(F)(F)CC1 ZINC001316223718 1065940328 /nfs/dbraw/zinc/94/03/28/1065940328.db2.gz QASUDGINMIQMIW-BBRMVZONSA-N 0 0 460.476 4.348 20 0 JIADRN COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CCOCC1 ZINC001316224134 1065940752 /nfs/dbraw/zinc/94/07/52/1065940752.db2.gz DPSNPLCSZUDXLH-NRFANRHFSA-N 0 0 497.011 4.161 20 0 JIADRN COCCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001316224524 1065941325 /nfs/dbraw/zinc/94/13/25/1065941325.db2.gz KXWBTOMRUKRZAT-UHFFFAOYSA-N 0 0 487.645 4.216 20 0 JIADRN COCCOC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCO[C@H](C)C2)CCOCC1 ZINC001316224974 1065942431 /nfs/dbraw/zinc/94/24/31/1065942431.db2.gz MUAJGEDLVYDNTD-QGZVFWFLSA-N 0 0 499.439 4.079 20 0 JIADRN COCCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001316225610 1065943670 /nfs/dbraw/zinc/94/36/70/1065943670.db2.gz AAFFHOFWUOSEAV-CTNGQTDRSA-N 0 0 478.597 4.014 20 0 JIADRN COCCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C ZINC001316225989 1065944368 /nfs/dbraw/zinc/94/43/68/1065944368.db2.gz LYSHIAZRRLCRPI-HNNXBMFYSA-N 0 0 492.443 4.051 20 0 JIADRN COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccccc2Cl)CCOCC1 ZINC001316226073 1065944414 /nfs/dbraw/zinc/94/44/14/1065944414.db2.gz WMDWSTVZMCUOKH-NRFANRHFSA-N 0 0 479.021 4.022 20 0 JIADRN COCCOC1(Cn2c(Cc3ccsc3)nnc2N2CCC(Cl)=C(Cl)C2)CCOCC1 ZINC001316226152 1065944908 /nfs/dbraw/zinc/94/49/08/1065944908.db2.gz CNJQRHNSSJZXNM-UHFFFAOYSA-N 0 0 487.453 4.042 20 0 JIADRN COCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C)=C(Br)C2)cc1 ZINC001316226515 1065945201 /nfs/dbraw/zinc/94/52/01/1065945201.db2.gz GGUVFAXCFOVBKD-HXUWFJFHSA-N 0 0 477.403 4.082 20 0 JIADRN COCCOC1(Cn2c(N3CCC[C@H]3c3cccc(OC)c3)nnc2C(C)(C)C)CCOCC1 ZINC001316227520 1065946260 /nfs/dbraw/zinc/94/62/60/1065946260.db2.gz NEYYNNCYRVSQMN-QFIPXVFZSA-N 0 0 472.630 4.138 20 0 JIADRN COCCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)C)C2)cc1 ZINC001316228498 1065948924 /nfs/dbraw/zinc/94/89/24/1065948924.db2.gz WTINQHSVQZBBNL-WXFUMESZSA-N 0 0 486.657 4.131 20 0 JIADRN COCCOc1ncccc1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001316228450 1065949021 /nfs/dbraw/zinc/94/90/21/1065949021.db2.gz DXXBMGJSFVRDFL-LJQANCHMSA-N 0 0 495.624 4.303 20 0 JIADRN COCCOc1ccc(Cn2c(N3C[C@H](C)CC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001316228939 1065950158 /nfs/dbraw/zinc/95/01/58/1065950158.db2.gz YIFOPKKYKFUGQR-JIPXPUAJSA-N 0 0 486.657 4.265 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001316228797 1065950183 /nfs/dbraw/zinc/95/01/83/1065950183.db2.gz NCPVEZNIVYMZGN-NOMHHCBYSA-N 0 0 486.657 4.021 20 0 JIADRN COCCOc1ncccc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001316229052 1065950360 /nfs/dbraw/zinc/95/03/60/1065950360.db2.gz FCAOZFIUUNMLGH-FHWLQOOXSA-N 0 0 469.561 4.118 20 0 JIADRN COCCOc1cc(C)ccc1Cn1c(CC2CC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001316229208 1065951183 /nfs/dbraw/zinc/95/11/83/1065951183.db2.gz ONGGTNYDWIJOCH-IBGZPJMESA-N 0 0 452.521 4.391 20 0 JIADRN COCCOc1ncccc1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](SC)C1 ZINC001316229757 1065952063 /nfs/dbraw/zinc/95/20/63/1065952063.db2.gz QQHMQHADEQHQSU-HXUWFJFHSA-N 0 0 483.638 4.144 20 0 JIADRN COCCOc1ncccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001316230813 1065954439 /nfs/dbraw/zinc/95/44/39/1065954439.db2.gz JFDSVBOUWBWJEU-VWLOTQADSA-N 0 0 485.654 4.040 20 0 JIADRN COCCOc1ncccc1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001316230950 1065954929 /nfs/dbraw/zinc/95/49/29/1065954929.db2.gz KIVOSKPRJDLHKA-BGYRXZFFSA-N 0 0 485.579 4.259 20 0 JIADRN COCCOc1ncccc1Cn1c(Cc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316231266 1065955680 /nfs/dbraw/zinc/95/56/80/1065955680.db2.gz RBDWLKQRNSUGJX-UHFFFAOYSA-N 0 0 492.382 4.376 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)C1 ZINC001316231569 1065956835 /nfs/dbraw/zinc/95/68/35/1065956835.db2.gz ABYOUMZNPHVHIA-PKTZIBPZSA-N 0 0 479.625 4.418 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(C(C)C)n2Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC001316231592 1065957087 /nfs/dbraw/zinc/95/70/87/1065957087.db2.gz ALRRHJYTNOFKEB-QHCPKHFHSA-N 0 0 469.630 4.210 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(F)c2)C1 ZINC001316231808 1065958112 /nfs/dbraw/zinc/95/81/12/1065958112.db2.gz FMEPTFQWQOQULU-LJQANCHMSA-N 0 0 492.393 4.049 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2ccsc2)C1 ZINC001316231860 1065958286 /nfs/dbraw/zinc/95/82/86/1065958286.db2.gz GGDQYCDYTGJLGC-NZQKXSOJSA-N 0 0 477.030 4.200 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@@H](F)C2)C1 ZINC001316232061 1065958833 /nfs/dbraw/zinc/95/88/33/1065958833.db2.gz HRWCJULSOCWBLI-PWIZWCRZSA-N 0 0 481.410 4.478 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nccs2)C1 ZINC001316232062 1065958946 /nfs/dbraw/zinc/95/89/46/1065958946.db2.gz BGPYHPXEKZMRJK-HNNXBMFYSA-N 0 0 468.410 4.389 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2c(C)nn(C)c2C)C1 ZINC001316232740 1065960460 /nfs/dbraw/zinc/96/04/60/1065960460.db2.gz FGEQPGOGYWLLKB-SFHVURJKSA-N 0 0 493.439 4.282 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(Cl)c2)C1 ZINC001316233617 1065962635 /nfs/dbraw/zinc/96/26/35/1065962635.db2.gz CKFMQNIBTBLPAO-FQEVSTJZSA-N 0 0 463.022 4.353 20 0 JIADRN COCCO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nc(C)c(C)s2)C1 ZINC001316233695 1065962940 /nfs/dbraw/zinc/96/29/40/1065962940.db2.gz PZPBPIMYPJPOSO-UTKZUKDTSA-N 0 0 489.617 4.311 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCS2)C1 ZINC001316233917 1065963627 /nfs/dbraw/zinc/96/36/27/1065963627.db2.gz KJSDWSZRZBACKP-SJORKVTESA-N 0 0 454.999 4.265 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001316235797 1065968134 /nfs/dbraw/zinc/96/81/34/1065968134.db2.gz CCBPLJJNKZTVOE-LJQANCHMSA-N 0 0 459.591 4.039 20 0 JIADRN COCCOC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cc(C)on2)CC1 ZINC001316236642 1065970176 /nfs/dbraw/zinc/97/01/76/1065970176.db2.gz FXVHLIJAHUNGTM-HXUWFJFHSA-N 0 0 469.586 4.011 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnc(C)s2)C1 ZINC001316236902 1065970574 /nfs/dbraw/zinc/97/05/74/1065970574.db2.gz CMVLGITZFNGCOW-KRWDZBQOSA-N 0 0 492.443 4.071 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001316236983 1065971310 /nfs/dbraw/zinc/97/13/10/1065971310.db2.gz JYUPGAWHRBYKSQ-JOCHJYFZSA-N 0 0 497.640 4.440 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC001316236974 1065971326 /nfs/dbraw/zinc/97/13/26/1065971326.db2.gz FGNDSIGIBDSEIU-FPOVZHCZSA-N 0 0 460.962 4.129 20 0 JIADRN COCCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)C1 ZINC001316237351 1065972120 /nfs/dbraw/zinc/97/21/20/1065972120.db2.gz HHHIDCVTFXHPLP-LPHOPBHVSA-N 0 0 463.003 4.423 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001316239231 1065976107 /nfs/dbraw/zinc/97/61/07/1065976107.db2.gz FXPRNUJPEFGZRW-HBMCJLEFSA-N 0 0 493.693 4.144 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@H]2CCOC2)C1 ZINC001316240774 1065978344 /nfs/dbraw/zinc/97/83/44/1065978344.db2.gz VFDLGTJCWLHZHS-RDJZCZTQSA-N 0 0 499.837 4.029 20 0 JIADRN COCCOC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2sccc2C)CC1 ZINC001316240290 1065978854 /nfs/dbraw/zinc/97/88/54/1065978854.db2.gz YGZNFXJMIYMNJS-UHFFFAOYSA-N 0 0 494.459 4.280 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001316240613 1065979665 /nfs/dbraw/zinc/97/96/65/1065979665.db2.gz JFFMLHJPVARKOD-OAQYLSRUSA-N 0 0 491.677 4.066 20 0 JIADRN COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001316241227 1065980584 /nfs/dbraw/zinc/98/05/84/1065980584.db2.gz JIELWNQWSYNLEM-NRFANRHFSA-N 0 0 479.021 4.054 20 0 JIADRN COCCOC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](OC)C2CC2)CC1 ZINC001316241417 1065981744 /nfs/dbraw/zinc/98/17/44/1065981744.db2.gz ZADFRIRAMPUQKT-NRFANRHFSA-N 0 0 493.446 4.073 20 0 JIADRN COCCO[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001316243023 1065984759 /nfs/dbraw/zinc/98/47/59/1065984759.db2.gz RGKKIQGTDADNGG-VQTJNVASSA-N 0 0 481.682 4.002 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)C2CCCCC2)C1 ZINC001316245258 1065987087 /nfs/dbraw/zinc/98/70/87/1065987087.db2.gz NAUZHBAMNXCROT-NTKDMRAZSA-N 0 0 463.022 4.172 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C(C)(C)C)C1 ZINC001316245978 1065987460 /nfs/dbraw/zinc/98/74/60/1065987460.db2.gz QZQMZMHPTURROT-LPHOPBHVSA-N 0 0 481.435 4.010 20 0 JIADRN COCCOCc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 ZINC001316247206 1065988396 /nfs/dbraw/zinc/98/83/96/1065988396.db2.gz BFOQBSBJIVNALX-HSZRJFAPSA-N 0 0 486.657 4.167 20 0 JIADRN COCCOC1CCN(c2nnc(-c3cccnc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001316247226 1065988524 /nfs/dbraw/zinc/98/85/24/1065988524.db2.gz USGTXOLXFQPBHS-QZTJIDSGSA-N 0 0 453.509 4.266 20 0 JIADRN COCCOCc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 ZINC001316247207 1065988554 /nfs/dbraw/zinc/98/85/54/1065988554.db2.gz BFOQBSBJIVNALX-QHCPKHFHSA-N 0 0 486.657 4.167 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)C1 ZINC001316247331 1065988606 /nfs/dbraw/zinc/98/86/06/1065988606.db2.gz BLIVEZOOCFMUBD-MOPGFXCFSA-N 0 0 465.019 4.158 20 0 JIADRN COCCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001316248168 1065990301 /nfs/dbraw/zinc/99/03/01/1065990301.db2.gz KULJVQUVSFBFRZ-FPOVZHCZSA-N 0 0 481.563 4.264 20 0 JIADRN COCCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2CCC(F)(F)CC2)C1 ZINC001316249320 1065991108 /nfs/dbraw/zinc/99/11/08/1065991108.db2.gz LBNIMENVJGWOQV-SFHVURJKSA-N 0 0 468.520 4.063 20 0 JIADRN COCCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(Br)s2)C1 ZINC001316249485 1065991342 /nfs/dbraw/zinc/99/13/42/1065991342.db2.gz SKLYETOOIJBERH-MRXNPFEDSA-N 0 0 497.484 4.239 20 0 JIADRN COCCOC1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3cc(F)ccc23)CC1 ZINC001316250084 1065992054 /nfs/dbraw/zinc/99/20/54/1065992054.db2.gz SNFJYOOLCUZAHX-UHFFFAOYSA-N 0 0 457.594 4.362 20 0 JIADRN COCCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001316249829 1065992112 /nfs/dbraw/zinc/99/21/12/1065992112.db2.gz NVQCUGIQWABNJY-PKOBYXMFSA-N 0 0 486.947 4.065 20 0 JIADRN COCCOC[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(F)(F)F)C1 ZINC001316249883 1065992285 /nfs/dbraw/zinc/99/22/85/1065992285.db2.gz 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O=C1CC[C@@H](c2noc(-c3nn(-c4ccccc4F)cc3Br)n2)CN1CC1CCC1 ZINC001328860038 1066330484 /nfs/dbraw/zinc/33/04/84/1066330484.db2.gz WUKYLZICWWGGDG-CQSZACIVSA-N 0 0 474.334 4.330 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCn1c(=O)[nH]c2ccccc21 ZINC001316451232 1066330905 /nfs/dbraw/zinc/33/09/05/1066330905.db2.gz VMXWEPUFPUWJOM-MRXNPFEDSA-N 0 0 456.641 4.264 20 0 JIADRN CSCC[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 ZINC001316451373 1066331713 /nfs/dbraw/zinc/33/17/13/1066331713.db2.gz RUFJKVAXIWDTRJ-GOSISDBHSA-N 0 0 466.095 4.211 20 0 JIADRN CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1oc2ccc(F)cc2c1C ZINC001316451536 1066332280 /nfs/dbraw/zinc/33/22/80/1066332280.db2.gz ZOFMIQCNTMZIKQ-HNNXBMFYSA-N 0 0 459.591 4.220 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC([C@H](O)c4ccc(F)cc4)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492508016 1066332507 /nfs/dbraw/zinc/33/25/07/1066332507.db2.gz FXPACAYCPDTLFP-XMMPIXPASA-N 0 0 494.615 4.042 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC([C@H](O)c4ccc(F)cc4)CC3)n2CCOCC(F)F)n1 ZINC001492508199 1066333016 /nfs/dbraw/zinc/33/30/16/1066333016.db2.gz KRPRBXUNPJQEIL-JOCHJYFZSA-N 0 0 475.515 4.019 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CC[C@H](F)C2)n1 ZINC001492508312 1066333774 /nfs/dbraw/zinc/33/37/74/1066333774.db2.gz NTUFTMRTDPZQJV-WJPUGNRLSA-N 0 0 455.500 4.316 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCCOC[C@@H]2CCCO2)n1 ZINC001492508496 1066334158 /nfs/dbraw/zinc/33/41/58/1066334158.db2.gz SFDDMQGTYAXDKC-SFHVURJKSA-N 0 0 453.509 4.013 20 0 JIADRN CSCCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001316452295 1066334516 /nfs/dbraw/zinc/33/45/16/1066334516.db2.gz RJVZKFIQBWPOKE-QGZVFWFLSA-N 0 0 480.476 4.346 20 0 JIADRN CSCCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001316452428 1066334886 /nfs/dbraw/zinc/33/48/86/1066334886.db2.gz DXWJDMYTBYUYDA-SFHVURJKSA-N 0 0 483.103 4.320 20 0 JIADRN CSCCCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)CC1 ZINC001316452392 1066334960 /nfs/dbraw/zinc/33/49/60/1066334960.db2.gz CUZFSYFAPMRAOZ-UHFFFAOYSA-N 0 0 468.627 4.192 20 0 JIADRN Cc1nc(Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)sc1C ZINC001492508700 1066335145 /nfs/dbraw/zinc/33/51/45/1066335145.db2.gz XVNKFQXWDKXMOE-NRFANRHFSA-N 0 0 480.560 4.300 20 0 JIADRN CSCCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001316452356 1066335248 /nfs/dbraw/zinc/33/52/48/1066335248.db2.gz SVQJSRDIGKSSEA-NRFANRHFSA-N 0 0 470.687 4.332 20 0 JIADRN CSCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001316452604 1066335720 /nfs/dbraw/zinc/33/57/20/1066335720.db2.gz VEGGCVSODOSYJM-UHFFFAOYSA-N 0 0 476.050 4.145 20 0 JIADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(-c3nnc(-c4cccn4C)o3)c2)cc1 ZINC001329233056 1066336126 /nfs/dbraw/zinc/33/61/26/1066336126.db2.gz ITPVREFHYMEQKW-UHFFFAOYSA-N 0 0 452.536 4.274 20 0 JIADRN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001329216828 1066336247 /nfs/dbraw/zinc/33/62/47/1066336247.db2.gz OUHKVYVFFCHICL-QRVBRYPASA-N 0 0 480.650 4.396 20 0 JIADRN CSCCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2)CC1 ZINC001316453012 1066336595 /nfs/dbraw/zinc/33/65/95/1066336595.db2.gz HRDWLFSMGDLUDM-QFIPXVFZSA-N 0 0 476.712 4.488 20 0 JIADRN CSCCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001316452904 1066336749 /nfs/dbraw/zinc/33/67/49/1066336749.db2.gz ZPHXUOLUUNLYOP-MRXNPFEDSA-N 0 0 485.576 4.280 20 0 JIADRN CSCCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001316452821 1066336924 /nfs/dbraw/zinc/33/69/24/1066336924.db2.gz XUZWGDYPDAPQJC-SFHVURJKSA-N 0 0 478.460 4.052 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC001492509197 1066336906 /nfs/dbraw/zinc/33/69/06/1066336906.db2.gz JGDYXONHQNCWCW-TZIWHRDSSA-N 0 0 484.645 4.157 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492509547 1066337608 /nfs/dbraw/zinc/33/76/08/1066337608.db2.gz SASVTTKZIMGRHJ-FQEVSTJZSA-N 0 0 484.645 4.205 20 0 JIADRN CSCCCCCCn1c(-c2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001316453484 1066338223 /nfs/dbraw/zinc/33/82/23/1066338223.db2.gz MCOSUGKBYGCWRF-UHFFFAOYSA-N 0 0 460.623 4.002 20 0 JIADRN CSCCCCCCn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001316453498 1066338422 /nfs/dbraw/zinc/33/84/22/1066338422.db2.gz MOCPDCBYUZIXDP-DEOSSOPVSA-N 0 0 457.619 4.444 20 0 JIADRN Cc1cccc(-c2nnc(N3CC[C@H](c4ccccc4C)C3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492509668 1066338341 /nfs/dbraw/zinc/33/83/41/1066338341.db2.gz UYFDQWHRCLKTOZ-MQFAKOPTSA-N 0 0 451.640 4.498 20 0 JIADRN CSCCCCCn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001316453743 1066338981 /nfs/dbraw/zinc/33/89/81/1066338981.db2.gz JLHGMIXQSARKAX-UHFFFAOYSA-N 0 0 456.660 4.102 20 0 JIADRN CSCCCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1 ZINC001316454456 1066340906 /nfs/dbraw/zinc/34/09/06/1066340906.db2.gz QOLKATZSYPLLRO-KRWDZBQOSA-N 0 0 472.684 4.057 20 0 JIADRN Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001329607885 1066341305 /nfs/dbraw/zinc/34/13/05/1066341305.db2.gz QUTWCTFIKDDVTB-UHFFFAOYSA-N 0 0 469.895 4.118 20 0 JIADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccnc3N3CCCC3)c2)cc1 ZINC001329594602 1066341562 /nfs/dbraw/zinc/34/15/62/1066341562.db2.gz RVPKNRYDNSTMNA-UHFFFAOYSA-N 0 0 466.563 4.134 20 0 JIADRN CSCCCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001316454731 1066341526 /nfs/dbraw/zinc/34/15/26/1066341526.db2.gz UXOARGBDAHVMQW-NRFANRHFSA-N 0 0 480.476 4.333 20 0 JIADRN CSCCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001316455111 1066342259 /nfs/dbraw/zinc/34/22/59/1066342259.db2.gz GFKQNAQYSTWHDA-JOCHJYFZSA-N 0 0 483.103 4.071 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(Oc4ncccc4F)CC3)n2CCCOCC(C)C)n1 ZINC001492510763 1066342124 /nfs/dbraw/zinc/34/21/24/1066342124.db2.gz CBBQWZPFSJCBQS-UHFFFAOYSA-N 0 0 468.577 4.293 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCCC2CCOCC2)n1 ZINC001492510656 1066342150 /nfs/dbraw/zinc/34/21/50/1066342150.db2.gz YZRZTAHHJYFTEU-UHFFFAOYSA-N 0 0 484.645 4.349 20 0 JIADRN CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001316455132 1066342719 /nfs/dbraw/zinc/34/27/19/1066342719.db2.gz KPIIMNHBLYFFNE-GOSISDBHSA-N 0 0 460.648 4.243 20 0 JIADRN Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCc2ccc(S(C)(=O)=O)cc2)n1 ZINC001492511188 1066344388 /nfs/dbraw/zinc/34/43/88/1066344388.db2.gz QKKUYZAOHWVJPX-UHFFFAOYSA-N 0 0 497.665 4.079 20 0 JIADRN CSCCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001316455841 1066344290 /nfs/dbraw/zinc/34/42/90/1066344290.db2.gz MAQPSQQEFDERDX-OAQYLSRUSA-N 0 0 471.593 4.327 20 0 JIADRN CSCCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001316455960 1066344347 /nfs/dbraw/zinc/34/43/47/1066344347.db2.gz NIJIMJGHKWYYNZ-GOSISDBHSA-N 0 0 459.689 4.285 20 0 JIADRN Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492511613 1066345245 /nfs/dbraw/zinc/34/52/45/1066345245.db2.gz DMWKPWVCKHOJKT-OXQOHEQNSA-N 0 0 495.628 4.408 20 0 JIADRN 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COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001317849582 1066731353 /nfs/dbraw/zinc/73/13/53/1066731353.db2.gz WJSJKQTUPPEILB-HSZRJFAPSA-N 0 0 461.562 4.495 20 0 JIADRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1)c1cccc(C(F)(F)F)c1 ZINC001348260439 1066731711 /nfs/dbraw/zinc/73/17/11/1066731711.db2.gz XZSRDKFGGGRXKI-AUUYWEPGSA-N 0 0 458.502 4.151 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001492545201 1066731903 /nfs/dbraw/zinc/73/19/03/1066731903.db2.gz IESBNDXCSBJQAR-OAQYLSRUSA-N 0 0 481.645 4.344 20 0 JIADRN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001348270654 1066732383 /nfs/dbraw/zinc/73/23/83/1066732383.db2.gz JUXAVLWZSOAAGM-UHFFFAOYSA-N 0 0 454.474 4.172 20 0 JIADRN Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCc2nccs2)c1 ZINC001492545408 1066734560 /nfs/dbraw/zinc/73/45/60/1066734560.db2.gz LRZNCOSCQNEVGP-SFHVURJKSA-N 0 0 481.544 4.412 20 0 JIADRN COCCCOc1cccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1C 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474.579 4.037 20 0 JIADRN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2CCCCO2)c1 ZINC001348430930 1066744436 /nfs/dbraw/zinc/74/44/36/1066744436.db2.gz RYODQTNJPQTBNJ-HSZRJFAPSA-N 0 0 458.580 4.470 20 0 JIADRN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001317869233 1066744626 /nfs/dbraw/zinc/74/46/26/1066744626.db2.gz JWYANGUSSDVJHG-UHFFFAOYSA-N 0 0 454.832 4.219 20 0 JIADRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001317869921 1066744704 /nfs/dbraw/zinc/74/47/04/1066744704.db2.gz KBQNYWBOMVCXHV-CYBMUJFWSA-N 0 0 481.774 4.016 20 0 JIADRN CC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1OC(C)C ZINC001348449247 1066745783 /nfs/dbraw/zinc/74/57/83/1066745783.db2.gz BEVXURREXNIHAL-UHFFFAOYSA-N 0 0 458.580 4.493 20 0 JIADRN CCCCN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC001348450314 1066745864 /nfs/dbraw/zinc/74/58/64/1066745864.db2.gz NZKOPYBEQKMZKP-UHFFFAOYSA-N 0 0 459.978 4.163 20 0 JIADRN 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/nfs/dbraw/zinc/30/64/13/1067306413.db2.gz DSWODPCEGGTKMG-IAGOWNOFSA-N 0 0 454.514 4.433 20 0 JIADRN COc1ccc(CN(C)C(=O)COCCc2ccc(Br)cc2)cc1OC(F)F ZINC001352184641 1067307074 /nfs/dbraw/zinc/30/70/74/1067307074.db2.gz WXYLMGZVJQRBCE-UHFFFAOYSA-N 0 0 458.299 4.277 20 0 JIADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc4n3c3ccccc3n4C(C)C)nc2c1 ZINC000847219351 1067307570 /nfs/dbraw/zinc/30/75/70/1067307570.db2.gz KYTREFLWPVUYKS-UHFFFAOYSA-N 0 0 497.650 4.464 20 0 JIADRN COc1ccc([C@@H](CNC(=O)c2c(C)n(C3CC3)c3ccc(OC)cc32)N2CCOCC2)cc1 ZINC001322656443 1067307823 /nfs/dbraw/zinc/30/78/23/1067307823.db2.gz IVGRJGIFCRMRLZ-RUZDIDTESA-N 0 0 463.578 4.105 20 0 JIADRN Cc1cccc(C)c1OCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492493605 1067308193 /nfs/dbraw/zinc/30/81/93/1067308193.db2.gz YDQOURIAWHLTGP-GOSISDBHSA-N 0 0 462.598 4.494 20 0 JIADRN Cc1cccc(-c2cc(NC(=O)Cc3ccccc3S(C)(=O)=O)n(Cc3ccccc3)n2)c1 ZINC001354964926 1067308316 /nfs/dbraw/zinc/30/83/16/1067308316.db2.gz DPHAZHOIVYJBTG-UHFFFAOYSA-N 0 0 459.571 4.492 20 0 JIADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)n1nnc(-c3ccccc3)n1)C[C@H](CC)CC2 ZINC001352198617 1067309020 /nfs/dbraw/zinc/30/90/20/1067309020.db2.gz MMDXIBCAMKRYEW-LSDHHAIUSA-N 0 0 453.568 4.293 20 0 JIADRN Cc1nc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)ccc1I ZINC001354966078 1067309062 /nfs/dbraw/zinc/30/90/62/1067309062.db2.gz HOCYCWZKUNEXHX-UHFFFAOYSA-N 0 0 452.683 4.145 20 0 JIADRN COCCOc1ccc(-n2nc(C)c(C(=O)Nc3cc(CCc4ccccc4)ccn3)n2)cc1 ZINC001354966939 1067309128 /nfs/dbraw/zinc/30/91/28/1067309128.db2.gz LSYCJAQCHRIECY-UHFFFAOYSA-N 0 0 457.534 4.033 20 0 JIADRN CC(C)CCn1c2ccccc2nc1NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001354966569 1067309142 /nfs/dbraw/zinc/30/91/42/1067309142.db2.gz RZTNUDUMKCIQPV-UHFFFAOYSA-N 0 0 454.596 4.194 20 0 JIADRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1ccc(Cl)cc1 ZINC001322815582 1067309554 /nfs/dbraw/zinc/30/95/54/1067309554.db2.gz QZTMWXVHKMCKRP-OLZOCXBDSA-N 0 0 477.746 4.106 20 0 JIADRN O=C(Cn1cc(-c2ccccc2)nn1)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC001352210368 1067310561 /nfs/dbraw/zinc/31/05/61/1067310561.db2.gz WYAKVJSZLZMSDC-HXUWFJFHSA-N 0 0 458.349 4.272 20 0 JIADRN O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1cccc(C(=O)NC2CC2)c1 ZINC001322905554 1067311074 /nfs/dbraw/zinc/31/10/74/1067311074.db2.gz QWKXWXGPLHVDST-UHFFFAOYSA-N 0 0 469.950 4.075 20 0 JIADRN CC(C)[C@H](SCc1ccccc1)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001352220020 1067312096 /nfs/dbraw/zinc/31/20/96/1067312096.db2.gz PAXNICZISCQIKS-DTBYZMGXSA-N 0 0 455.605 4.192 20 0 JIADRN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001352217926 1067312159 /nfs/dbraw/zinc/31/21/59/1067312159.db2.gz BNTPSEXXVHYSTF-ZOXUKVPXSA-N 0 0 456.608 4.027 20 0 JIADRN Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492579143 1067312197 /nfs/dbraw/zinc/31/21/97/1067312197.db2.gz DTVMRYNPSDITLF-IHPCNDPISA-N 0 0 463.548 4.213 20 0 JIADRN COc1ccc(Br)c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c1 ZINC001352223743 1067312487 /nfs/dbraw/zinc/31/24/87/1067312487.db2.gz HGHOIKGOFIWXGM-HXUWFJFHSA-N 0 0 458.356 4.261 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)c2)n1 ZINC001322986162 1067312779 /nfs/dbraw/zinc/31/27/79/1067312779.db2.gz NUCMSOCJIUEGQF-NRFANRHFSA-N 0 0 464.522 4.435 20 0 JIADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CCCC1 ZINC001352225664 1067312824 /nfs/dbraw/zinc/31/28/24/1067312824.db2.gz TZYBOAPLUSJHJZ-ZDUSSCGKSA-N 0 0 451.398 4.134 20 0 JIADRN Cc1cccc(OCCn2c(N3CCN([C@@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)c1 ZINC001492551935 1067313266 /nfs/dbraw/zinc/31/32/66/1067313266.db2.gz UNMIMDZHOXXDTP-FQEVSTJZSA-N 0 0 481.645 4.353 20 0 JIADRN COc1cccc(CN(C)C(=O)CSc2nnc3n2c2ccccc2n3C(C)C)c1OC ZINC000847238544 1067313986 /nfs/dbraw/zinc/31/39/86/1067313986.db2.gz OOBGDDMNIFDHPH-UHFFFAOYSA-N 0 0 453.568 4.033 20 0 JIADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc4c(Br)cccc4cn3)C2)c1 ZINC001354976785 1067314117 /nfs/dbraw/zinc/31/41/17/1067314117.db2.gz GMNDAVTYZWDKRU-OAHLLOKOSA-N 0 0 456.340 4.023 20 0 JIADRN COc1ccc(C[C@@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)c2ccc(OC)cc2)cc1 ZINC001352237064 1067314726 /nfs/dbraw/zinc/31/47/26/1067314726.db2.gz QGOIWLSHQCQTFH-XUNZJTMSSA-N 0 0 450.579 4.189 20 0 JIADRN Cc1cccc2[nH]cc(CCn3c(CC(C)C)nnc3N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)c21 ZINC001492552188 1067315091 /nfs/dbraw/zinc/31/50/91/1067315091.db2.gz WSFMJBHKNMTZQV-NRFANRHFSA-N 0 0 496.656 4.239 20 0 JIADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1ccccc1[S@](=O)C(F)(F)F ZINC001352238390 1067315351 /nfs/dbraw/zinc/31/53/51/1067315351.db2.gz VNSOQZGXCPYTPA-PMERELPUSA-N 0 0 457.495 4.031 20 0 JIADRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C ZINC001352237746 1067315383 /nfs/dbraw/zinc/31/53/83/1067315383.db2.gz QVAMXWTZJCUDLS-SFHVURJKSA-N 0 0 450.601 4.173 20 0 JIADRN O=S(=O)(C1=Cc2cc(F)cc(Cl)c2OC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001475011255 1067316004 /nfs/dbraw/zinc/31/60/04/1067316004.db2.gz NANQZUAMDJFIGB-FQEVSTJZSA-N 0 0 455.910 4.127 20 0 JIADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1C(C)C ZINC001352248241 1067316949 /nfs/dbraw/zinc/31/69/49/1067316949.db2.gz ANLBEDQWUMUUKF-UHFFFAOYSA-N 0 0 455.356 4.435 20 0 JIADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c2)n1 ZINC001323295956 1067317242 /nfs/dbraw/zinc/31/72/42/1067317242.db2.gz WDOKZAYOPZDOGM-UHFFFAOYSA-N 0 0 489.363 4.105 20 0 JIADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)Cc1cccc(Br)c1C ZINC001352250413 1067317514 /nfs/dbraw/zinc/31/75/14/1067317514.db2.gz MKDUXXBQLONAHS-UHFFFAOYSA-N 0 0 454.162 4.126 20 0 JIADRN Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001492552538 1067317916 /nfs/dbraw/zinc/31/79/16/1067317916.db2.gz ALFYGMNJKRBDTR-SFYKDHMMSA-N 0 0 464.557 4.249 20 0 JIADRN Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCOCC(F)(F)C(F)F ZINC001492552557 1067318126 /nfs/dbraw/zinc/31/81/26/1067318126.db2.gz ASWOLLCGVAPGOH-OAHLLOKOSA-N 0 0 454.472 4.101 20 0 JIADRN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001323317161 1067318040 /nfs/dbraw/zinc/31/80/40/1067318040.db2.gz KPVFRSUVQQUGHC-YJBOKZPZSA-N 0 0 467.367 4.085 20 0 JIADRN Cc1cc(Cl)ccc1O[C@H](C(=O)NCc1ccccc1NS(C)(=O)=O)c1ccccc1 ZINC001354986190 1067318416 /nfs/dbraw/zinc/31/84/16/1067318416.db2.gz OQBMMTDDOGVDJR-QFIPXVFZSA-N 0 0 458.967 4.456 20 0 JIADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3cccc(F)c3)CC2)(C(F)(F)F)CC1 ZINC001354986706 1067318797 /nfs/dbraw/zinc/31/87/97/1067318797.db2.gz VQYLGRYDSXLRGK-UHFFFAOYSA-N 0 0 459.484 4.054 20 0 JIADRN Cc1cc(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)c2ccc(F)cc2n1 ZINC001323367461 1067318907 /nfs/dbraw/zinc/31/89/07/1067318907.db2.gz PKKQFVHBKAUUPQ-UHFFFAOYSA-N 0 0 465.554 4.184 20 0 JIADRN CC(C)(C)n1ncc(C(=O)Nc2ccccc2N2CCCCC2)c1I ZINC001352258423 1067319088 /nfs/dbraw/zinc/31/90/88/1067319088.db2.gz PUXDSVOZHLRNAE-UHFFFAOYSA-N 0 0 452.340 4.485 20 0 JIADRN Cc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1S(=O)(=O)NC(C)(C)C ZINC001200833533 1067319140 /nfs/dbraw/zinc/31/91/40/1067319140.db2.gz FLYUVYGTDMYYBO-UHFFFAOYSA-N 0 0 457.596 4.125 20 0 JIADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN3c4ccccc4CC[C@@H]3C)cc2)cc1 ZINC001323390861 1067319109 /nfs/dbraw/zinc/31/91/09/1067319109.db2.gz SQMWQUIDIUAGRS-IBGZPJMESA-N 0 0 491.613 4.261 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001492579989 1067319536 /nfs/dbraw/zinc/31/95/36/1067319536.db2.gz TWMKGBBDJALZLA-BGYRXZFFSA-N 0 0 469.630 4.190 20 0 JIADRN CCOc1ccc(NC(=O)C(C)(C)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C ZINC001352264182 1067320100 /nfs/dbraw/zinc/32/01/00/1067320100.db2.gz ZKCHHUQETDXZTR-UHFFFAOYSA-N 0 0 458.502 4.271 20 0 JIADRN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001352268146 1067321164 /nfs/dbraw/zinc/32/11/64/1067321164.db2.gz KACNZQKBVCKGDO-INIZCTEOSA-N 0 0 453.852 4.099 20 0 JIADRN O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCOc2cc(Br)c(Cl)cc21 ZINC001354989703 1067321267 /nfs/dbraw/zinc/32/12/67/1067321267.db2.gz JUOYTUIKQQLFEO-QGZVFWFLSA-N 0 0 457.658 4.299 20 0 JIADRN CCOc1cc([C@H]2Nc3ccc(Br)cc3C(=O)N2)cc(Br)c1OC ZINC001323446208 1067321617 /nfs/dbraw/zinc/32/16/17/1067321617.db2.gz ZJXXUDUMKFSMFB-INIZCTEOSA-N 0 0 456.134 4.473 20 0 JIADRN Cc1noc(-c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1 ZINC001352268246 1067321880 /nfs/dbraw/zinc/32/18/80/1067321880.db2.gz NLBWQOKUQDFQTA-UHFFFAOYSA-N 0 0 454.552 4.251 20 0 JIADRN COc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)ccc2OC)cc1 ZINC001323467703 1067321914 /nfs/dbraw/zinc/32/19/14/1067321914.db2.gz GRXFODXXDJZEDU-UHFFFAOYSA-N 0 0 452.532 4.064 20 0 JIADRN C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NCC(F)(F)F ZINC001323465114 1067322068 /nfs/dbraw/zinc/32/20/68/1067322068.db2.gz OZNUCSRACSZNGL-ZDUSSCGKSA-N 0 0 484.931 4.013 20 0 JIADRN Cc1ccccc1Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC(=O)NC1CCCCC1 ZINC001492580190 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MLUUAHRNAULQLS-JOCHJYFZSA-N 0 0 478.641 4.413 20 0 JIADRN Cc1ccc(N2C(=S)N[C@@H](c3ccccc3I)C(C(=O)N(C)C)=C2C)cc1 ZINC001323584549 1067324004 /nfs/dbraw/zinc/32/40/04/1067324004.db2.gz YKLMEZPQTJGPQR-IBGZPJMESA-N 0 0 491.398 4.398 20 0 JIADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2CC(=O)NC2CCCCC2)n1 ZINC001492495410 1067325083 /nfs/dbraw/zinc/32/50/83/1067325083.db2.gz WWFRRARYLIGOHN-HSVJZKSBSA-N 0 0 494.665 4.032 20 0 JIADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC001352288607 1067325175 /nfs/dbraw/zinc/32/51/75/1067325175.db2.gz OWADALKSSBCNAU-MDNUFGMLSA-N 0 0 452.599 4.347 20 0 JIADRN Cc1nc2ccccc2n1CCCNC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001323674734 1067325318 /nfs/dbraw/zinc/32/53/18/1067325318.db2.gz HUTVAYWKNQJVFS-UHFFFAOYSA-N 0 0 456.319 4.252 20 0 JIADRN CC(C)Cn1c(-c2ccco2)nn(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1=S ZINC001323720331 1067325725 /nfs/dbraw/zinc/32/57/25/1067325725.db2.gz AFMLPUYCBJXXQV-UHFFFAOYSA-N 0 0 479.606 4.296 20 0 JIADRN 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COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC001355535841 1067502406 /nfs/dbraw/zinc/50/24/06/1067502406.db2.gz DVBMZOASABMUFU-INIZCTEOSA-N 0 0 452.532 4.093 20 0 JIADRN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC001355535842 1067502491 /nfs/dbraw/zinc/50/24/91/1067502491.db2.gz DVBMZOASABMUFU-MRXNPFEDSA-N 0 0 452.532 4.093 20 0 JIADRN COc1ccc(-c2nnc(N3CCc4nc(C(F)(F)F)ncc4C3)n2CCC(C)(F)F)cc1 ZINC001300048177 1067502816 /nfs/dbraw/zinc/50/28/16/1067502816.db2.gz RTJUXKFCAXIBBW-UHFFFAOYSA-N 0 0 468.430 4.371 20 0 JIADRN COc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000847355909 1067503289 /nfs/dbraw/zinc/50/32/89/1067503289.db2.gz JGTQVRRHVQPTBJ-XGCMIMOYSA-N 0 0 450.535 4.151 20 0 JIADRN COc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CC=CCO2)c(OC)c1 ZINC001300048557 1067503409 /nfs/dbraw/zinc/50/34/09/1067503409.db2.gz BKTFBQVDCIOHRL-RDJZCZTQSA-N 0 0 452.477 4.086 20 0 JIADRN 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NTFXZJYKQRCLJC-UHFFFAOYSA-N 0 0 454.619 4.118 20 0 JIADRN C=Cc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCC[C@H](SCC)C2)cc1 ZINC001359171384 1068882318 /nfs/dbraw/zinc/88/23/18/1068882318.db2.gz PLLQLDLWBWGCAT-VXKWHMMOSA-N 0 0 474.696 4.178 20 0 JIADRN C=Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC001359171683 1068883106 /nfs/dbraw/zinc/88/31/06/1068883106.db2.gz XRBFHDYKQNADIG-WIYYLYMNSA-N 0 0 463.548 4.478 20 0 JIADRN C=Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC001359171681 1068883136 /nfs/dbraw/zinc/88/31/36/1068883136.db2.gz XRBFHDYKQNADIG-NQIIRXRSSA-N 0 0 463.548 4.478 20 0 JIADRN C=Cc1ccc(CCn2c(Cc3ccccn3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001359171624 1068883172 /nfs/dbraw/zinc/88/31/72/1068883172.db2.gz VXDZOSWRKLIZLH-LAUBAEHRSA-N 0 0 457.500 4.306 20 0 JIADRN Cc1c(Br)cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(=O)n1C ZINC001354076669 1068883203 /nfs/dbraw/zinc/88/32/03/1068883203.db2.gz ZKEZJIWPQCIIJQ-UHFFFAOYSA-N 0 0 452.761 4.409 20 0 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CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC001354082760 1068885788 /nfs/dbraw/zinc/88/57/88/1068885788.db2.gz KHAOYFWJSAGICM-WPYKKVEZSA-N 0 0 455.599 4.245 20 0 JIADRN C[C@@H]1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001200557911 1068886271 /nfs/dbraw/zinc/88/62/71/1068886271.db2.gz LJVHDJBHJTVFSU-CVEARBPZSA-N 0 0 460.372 4.410 20 0 JIADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001354085251 1068887649 /nfs/dbraw/zinc/88/76/49/1068887649.db2.gz TXKNOYFSHXPULG-UHFFFAOYSA-N 0 0 456.789 4.310 20 0 JIADRN COc1cc(S(=O)(=O)Nc2c(Br)cccc2I)ccc1F ZINC001200559428 1068890142 /nfs/dbraw/zinc/89/01/42/1068890142.db2.gz MKDZJANNSKNGTD-UHFFFAOYSA-N 0 0 486.100 4.002 20 0 JIADRN COc1ccc(C(=O)N(Cc2ccccc2F)c2ccccc2)cc1S(=O)(=O)NC(C)C ZINC001354090271 1068890622 /nfs/dbraw/zinc/89/06/22/1068890622.db2.gz QROPQYBXNDWTDZ-UHFFFAOYSA-N 0 0 456.539 4.368 20 0 JIADRN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)c1 ZINC000849118604 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