smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 ZINC000000000627 567816521 /nfs/dbraw/zinc/81/65/21/567816521.db2.gz NZLVRVYNQYGMAB-UHFFFAOYSA-N 0 1 293.435 4.679 50 0 world CJAAMN S=C(NC1CCCCC1)Sc1ccc(Cl)cc1 ZINC000000075403 567817695 /nfs/dbraw/zinc/81/76/95/567817695.db2.gz BSQWJLXATGUGOY-UHFFFAOYSA-N 0 1 285.865 4.639 50 0 CJAAMN Cc1ccc2nc(SCc3ccc(F)cc3)[nH]c2c1C ZINC000000094953 169534187 /nfs/dbraw/zinc/53/41/87/169534187.db2.gz AJPUQURWZFUQPX-UHFFFAOYSA-N 0 1 286.375 4.611 50 0 CJAAMN Cc1ccc2nc(-c3cccc4ccccc43)[nH]c2c1 ZINC000000097674 567818236 /nfs/dbraw/zinc/81/82/36/567818236.db2.gz FFLFBCGWWYWTGZ-UHFFFAOYSA-N 0 1 258.324 4.692 50 0 CJAAMN Cc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1 ZINC000000112308 567887434 /nfs/dbraw/zinc/88/74/34/567887434.db2.gz LMBGOBJQESYQAC-UHFFFAOYSA-N 0 1 262.356 4.904 50 0 CJAAMN COc1cccc(Nc2cc(C)nc3c(C)cccc23)c1 ZINC000000112352 567818642 /nfs/dbraw/zinc/81/86/42/567818642.db2.gz AVECWGITJBEVIE-UHFFFAOYSA-N 0 1 278.355 4.604 50 0 CJAAMN c1nc2ccc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 ZINC000000121444 567819223 /nfs/dbraw/zinc/81/92/23/567819223.db2.gz MHPKFRCVICIMMK-UHFFFAOYSA-N 0 1 270.335 4.897 50 0 CJAAMN Cc1cc(Nc2ccccc2Cl)c2ccccc2n1 ZINC000000171640 567821261 /nfs/dbraw/zinc/82/12/61/567821261.db2.gz PQKNRVKHKFARSL-UHFFFAOYSA-N 0 1 268.747 4.940 50 0 CJAAMN Cc1cc(Nc2ccc(C)c(F)c2)c2ccccc2n1 ZINC000000171641 567821428 /nfs/dbraw/zinc/82/14/28/567821428.db2.gz MRWIRFAXTOTSOM-UHFFFAOYSA-N 0 1 266.319 4.734 50 0 CJAAMN Cc1ccc(Nc2cc(C)nc3ccccc32)c(C)c1 ZINC000000171644 567821403 /nfs/dbraw/zinc/82/14/03/567821403.db2.gz FIIZJSOCFKYORX-UHFFFAOYSA-N 0 1 262.356 4.904 50 0 CJAAMN Cc1cc(Nc2ccccc2C)c2cccc(C)c2n1 ZINC000000183375 567821608 /nfs/dbraw/zinc/82/16/08/567821608.db2.gz WDCSUVPNJWFDAJ-UHFFFAOYSA-N 0 1 262.356 4.904 50 0 CJAAMN Cc1ccc2nc(SCc3ccccc3F)[nH]c2c1C ZINC000000188597 567821650 /nfs/dbraw/zinc/82/16/50/567821650.db2.gz IPONDFAFGUJXGU-UHFFFAOYSA-N 0 1 286.375 4.611 50 0 CJAAMN Cc1ccc2nc(SCc3ccccc3Cl)[nH]c2c1 ZINC000000254538 567823384 /nfs/dbraw/zinc/82/33/84/567823384.db2.gz YOLFMMYVRKEHJW-UHFFFAOYSA-N 0 1 288.803 4.817 50 0 CJAAMN CCOc1ccccc1Nc1cc(C)nc2ccccc21 ZINC000000256307 567884137 /nfs/dbraw/zinc/88/41/37/567884137.db2.gz JQUGYHLOVSLMOO-UHFFFAOYSA-N 0 1 278.355 4.686 50 0 CJAAMN Cc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1 ZINC000000274351 567926075 /nfs/dbraw/zinc/92/60/75/567926075.db2.gz PWJYBZWYQPNBKP-UHFFFAOYSA-N 0 1 288.803 4.817 50 0 CJAAMN CCCc1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000000320660 567926846 /nfs/dbraw/zinc/92/68/46/567926846.db2.gz KNQWWHNFFNUVEZ-UHFFFAOYSA-N 0 1 287.451 4.914 50 0 CJAAMN C[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000357578 567826576 /nfs/dbraw/zinc/82/65/76/567826576.db2.gz FICFGTKHQQCELD-NSHDSACASA-N 0 1 280.198 4.844 50 0 CJAAMN C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000357581 567826703 /nfs/dbraw/zinc/82/67/03/567826703.db2.gz FICFGTKHQQCELD-LLVKDONJSA-N 0 1 280.198 4.844 50 0 CJAAMN CCC1=C[C@@H]2Cc3nc4ccc(Cl)cc4c(N)c3[C@H](C1)C2 ZINC000000367097 567827420 /nfs/dbraw/zinc/82/74/20/567827420.db2.gz RROMZQOFYWOWAP-NWDGAFQWSA-N 0 1 298.817 4.857 50 0 CJAAMN CCC1=C[C@H]2Cc3nc4ccc(Cl)cc4c(N)c3[C@@H](C1)C2 ZINC000000367100 567827359 /nfs/dbraw/zinc/82/73/59/567827359.db2.gz RROMZQOFYWOWAP-NEPJUHHUSA-N 0 1 298.817 4.857 50 0 CJAAMN CC(C)[C@H]1CC[C@H](C)c2c1n[nH]c2-c1ccccc1 ZINC000000387781 567927931 /nfs/dbraw/zinc/92/79/31/567927931.db2.gz CLTINXZUQWHNMS-GXTWGEPZSA-N 0 1 254.377 4.714 50 0 CJAAMN COc1ccc(-c2[nH]nc3c2[C@@H](C)CC[C@H]3C(C)C)cc1 ZINC000000387845 567828423 /nfs/dbraw/zinc/82/84/23/567828423.db2.gz KGHOBCMCJCYPTD-WFASDCNBSA-N 0 1 284.403 4.722 50 0 CJAAMN COc1ccc(-c2[nH]nc3c2[C@@H](C)CC[C@@H]3C(C)C)cc1 ZINC000000387847 567828440 /nfs/dbraw/zinc/82/84/40/567828440.db2.gz KGHOBCMCJCYPTD-SWLSCSKDSA-N 0 1 284.403 4.722 50 0 CJAAMN COc1ccc(-c2[nH]nc3c2[C@H](C)CC[C@@H]3C(C)C)cc1 ZINC000000387848 567828319 /nfs/dbraw/zinc/82/83/19/567828319.db2.gz KGHOBCMCJCYPTD-IUODEOHRSA-N 0 1 284.403 4.722 50 0 CJAAMN COc1ccccc1-c1[nH]nc2c1[C@@H](C)CC[C@@H]2C(C)C ZINC000000387855 567927836 /nfs/dbraw/zinc/92/78/36/567927836.db2.gz DOCULXUTTBJQHV-QWHCGFSZSA-N 0 1 284.403 4.722 50 0 CJAAMN Fc1ccccc1Nc1c2c(nc3ccccc31)CCC2 ZINC000000429780 567930390 /nfs/dbraw/zinc/93/03/90/567930390.db2.gz APZFLTHBNICOMQ-UHFFFAOYSA-N 0 1 278.330 4.606 50 0 CJAAMN Cc1ccc(CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000000443960 567830320 /nfs/dbraw/zinc/83/03/20/567830320.db2.gz HVKKWJPGCZDSNQ-UHFFFAOYSA-N 0 1 288.803 4.817 50 0 CJAAMN S=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1 ZINC000000499975 567940205 /nfs/dbraw/zinc/94/02/05/567940205.db2.gz PDSCDHFFBASGJT-UHFFFAOYSA-N 0 1 278.336 4.706 50 0 CJAAMN Clc1ccc2nc(SCCc3ccccc3)[nH]c2c1 ZINC000000561247 567833733 /nfs/dbraw/zinc/83/37/33/567833733.db2.gz RPCOOGCTDMZLDU-UHFFFAOYSA-N 0 1 288.803 4.551 50 0 CJAAMN Fc1ccc(CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000000561385 567833783 /nfs/dbraw/zinc/83/37/83/567833783.db2.gz CMBIFMJYKAVYEJ-UHFFFAOYSA-N 0 1 292.766 4.648 50 0 CJAAMN Cc1ccccc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000000561389 567943303 /nfs/dbraw/zinc/94/33/03/567943303.db2.gz KAMBSLABAFVWAX-UHFFFAOYSA-N 0 1 288.803 4.817 50 0 CJAAMN c1ccc(-c2cc(N3CCCCC3)c3ccccc3n2)cc1 ZINC000001423111 567837118 /nfs/dbraw/zinc/83/71/18/567837118.db2.gz HYCVPCISSSUCAZ-UHFFFAOYSA-N 0 1 288.394 4.892 50 0 CJAAMN c1ccc2c3[nH]c(C4CCCCC4)nc3ccc2c1 ZINC000001464165 567837569 /nfs/dbraw/zinc/83/75/69/567837569.db2.gz JLRVROUHPGLHSQ-UHFFFAOYSA-N 0 1 250.345 4.764 50 0 CJAAMN CCCCCOc1ccc(Cl)cc1CN1CCCCC1 ZINC000001902236 566970068 /nfs/dbraw/zinc/97/00/68/566970068.db2.gz MNOYJMFDFHSFKX-UHFFFAOYSA-N 0 1 295.854 4.895 50 0 CJAAMN Clc1ccc(CN2CCCCCCC2)cc1Cl ZINC000002816333 567849533 /nfs/dbraw/zinc/84/95/33/567849533.db2.gz YKATUCHACQFGBL-UHFFFAOYSA-N 0 1 272.219 4.760 50 0 CJAAMN Cc1cc(C)c(OCCC[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000002821810 570371432 /nfs/dbraw/zinc/37/14/32/570371432.db2.gz YOPYARSDGIQNNC-UHFFFAOYSA-N 0 1 297.442 4.513 50 0 CJAAMN C(=CC=CNc1ccccc1)C=CNc1ccccc1 ZINC000003953784 567854688 /nfs/dbraw/zinc/85/46/88/567854688.db2.gz JITFHZOOTZRSKR-OUJOUEISSA-N 0 1 262.356 4.794 50 0 CJAAMN Cc1cc(Nc2ccc(F)cc2)c2cccc(C)c2n1 ZINC000004056166 567855075 /nfs/dbraw/zinc/85/50/75/567855075.db2.gz ZLMLGGRHEBCYAP-UHFFFAOYSA-N 0 1 266.319 4.734 50 0 CJAAMN Clc1ccc2nc(SCc3ccccc3)[nH]c2c1 ZINC000004406897 567857392 /nfs/dbraw/zinc/85/73/92/567857392.db2.gz XCNFPBJWQCGQNZ-UHFFFAOYSA-N 0 1 274.776 4.509 50 0 CJAAMN Cc1cccc(CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000004407038 567857234 /nfs/dbraw/zinc/85/72/34/567857234.db2.gz MIIZGILJZSRYRK-UHFFFAOYSA-N 0 1 288.803 4.817 50 0 CJAAMN Cc1n[nH]c2c1[C@@H](c1ccccc1)CC(c1ccccc1)=C2 ZINC000004457904 567867514 /nfs/dbraw/zinc/86/75/14/567867514.db2.gz ZUSIICUPKNHFQY-GOSISDBHSA-N 0 1 286.378 4.794 50 0 CJAAMN Cc1n[nH]c2c1[C@H](c1ccccc1)CC(c1ccccc1)=C2 ZINC000004457905 567867611 /nfs/dbraw/zinc/86/76/11/567867611.db2.gz ZUSIICUPKNHFQY-SFHVURJKSA-N 0 1 286.378 4.794 50 0 CJAAMN CC(C)Nc1cc(-c2ccccc2)nc2ccccc21 ZINC000004541740 566910221 /nfs/dbraw/zinc/91/02/21/566910221.db2.gz LMTXKFFRXGLJEU-UHFFFAOYSA-N 0 1 262.356 4.722 50 0 CJAAMN COc1ccc(-c2cc(NC(C)C)c3ccccc3n2)cc1 ZINC000004542891 566912136 /nfs/dbraw/zinc/91/21/36/566912136.db2.gz WSOSSZGABLNSMU-UHFFFAOYSA-N 0 1 292.382 4.731 50 0 CJAAMN COc1ccc(Nc2cc(C)nc3ccccc32)cc1Cl ZINC000004551683 567858156 /nfs/dbraw/zinc/85/81/56/567858156.db2.gz PFLXOUOHUQRMJH-UHFFFAOYSA-N 0 1 298.773 4.949 50 0 CJAAMN CC(=NNc1ccc(F)cc1F)c1ccc2ccccc2c1 ZINC000004587134 566864991 /nfs/dbraw/zinc/86/49/91/566864991.db2.gz CNTFUMFXUXAARV-CIAFOILYSA-N 0 1 296.320 4.954 50 0 CJAAMN COc1ccc(-c2[nH]nc3c2[C@H](C)CC[C@H]3C(C)C)cc1 ZINC000004649921 567858454 /nfs/dbraw/zinc/85/84/54/567858454.db2.gz KGHOBCMCJCYPTD-DOMZBBRYSA-N 0 1 284.403 4.722 50 0 CJAAMN Cc1ccc(CNCc2ccc(Cl)cc2Cl)cc1 ZINC000004688983 570216000 /nfs/dbraw/zinc/21/60/00/570216000.db2.gz AZVSLFFLGBGEFS-UHFFFAOYSA-N 0 1 280.198 4.592 50 0 CJAAMN CCCCCc1nc2ccc(Cl)cn2c1NC(C)(C)C ZINC000004720271 170004639 /nfs/dbraw/zinc/00/46/39/170004639.db2.gz DSSIWTDHYJHQPZ-UHFFFAOYSA-N 0 1 293.842 4.931 50 0 CJAAMN C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000004842555 170028778 /nfs/dbraw/zinc/02/87/78/170028778.db2.gz QUDXPEROGCXLJJ-AWEZNQCLSA-N 0 1 295.357 4.937 50 0 CJAAMN C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000004842556 170028910 /nfs/dbraw/zinc/02/89/10/170028910.db2.gz QUDXPEROGCXLJJ-CQSZACIVSA-N 0 1 295.357 4.937 50 0 CJAAMN Cc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 ZINC000004868719 170034381 /nfs/dbraw/zinc/03/43/81/170034381.db2.gz GMKXGRHXRPKNBE-UHFFFAOYSA-N 0 1 295.357 4.684 50 0 CJAAMN Cc1ccc2nc(Sc3cccc(Cl)c3)[nH]c2c1 ZINC000004956697 170045455 /nfs/dbraw/zinc/04/54/55/170045455.db2.gz BNDCVDUDIRLXTM-UHFFFAOYSA-N 0 1 274.776 4.676 50 0 CJAAMN Clc1ccc(CN2CCCCCCC2)c(Cl)c1 ZINC000004977442 170048242 /nfs/dbraw/zinc/04/82/42/170048242.db2.gz WYZGSNGUCUUWOY-UHFFFAOYSA-N 0 1 272.219 4.760 50 0 CJAAMN Clc1cccc(CN2CCCCCCC2)c1Cl ZINC000004977795 170048151 /nfs/dbraw/zinc/04/81/51/170048151.db2.gz CZENOFBCBKRUBD-UHFFFAOYSA-N 0 1 272.219 4.760 50 0 CJAAMN CCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000005418198 170096693 /nfs/dbraw/zinc/09/66/93/170096693.db2.gz KGBWWTXUSOPASH-UHFFFAOYSA-N 0 1 298.382 4.582 50 0 CJAAMN CCN(CC)c1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000005615551 170120192 /nfs/dbraw/zinc/12/01/92/170120192.db2.gz ORUOFTQRHQYLIH-UHFFFAOYSA-N 0 1 288.822 4.798 50 0 CJAAMN Cc1cc(Nc2ccc(C)c(C)c2)c2ccccc2n1 ZINC000005798914 170141495 /nfs/dbraw/zinc/14/14/95/170141495.db2.gz JGGFZOVNLBJFTE-UHFFFAOYSA-N 0 1 262.356 4.904 50 0 CJAAMN CCOc1ccc2nc(S[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000005799679 170141783 /nfs/dbraw/zinc/14/17/83/170141783.db2.gz NPYHWRLNDNACBS-LBPRGKRZSA-N 0 1 298.411 4.815 50 0 CJAAMN CCOc1ccc2nc(S[C@H](C)c3ccccc3)[nH]c2c1 ZINC000005799681 170141739 /nfs/dbraw/zinc/14/17/39/170141739.db2.gz NPYHWRLNDNACBS-GFCCVEGCSA-N 0 1 298.411 4.815 50 0 CJAAMN Cc1ccc2nc(COc3cc(C)ccc3C(C)C)[nH]c2c1 ZINC000005818390 170143554 /nfs/dbraw/zinc/14/35/54/170143554.db2.gz LGKXWXXBINFHEM-UHFFFAOYSA-N 0 1 294.398 4.882 50 0 CJAAMN Cc1ccc2nc(COc3ccc4ccccc4c3)[nH]c2c1 ZINC000005818394 170143761 /nfs/dbraw/zinc/14/37/61/170143761.db2.gz APBLZSIYANBRND-UHFFFAOYSA-N 0 1 288.350 4.604 50 0 CJAAMN Cc1ccc2nc(SCCC3CCCCC3)[nH]c2c1 ZINC000005818414 170143797 /nfs/dbraw/zinc/14/37/97/170143797.db2.gz FESHWKCXFIHAOD-UHFFFAOYSA-N 0 1 274.433 4.934 50 0 CJAAMN Cc1ccc2nc(S[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000005818425 170143275 /nfs/dbraw/zinc/14/32/75/170143275.db2.gz HGXHUXYAQCGSIQ-LBPRGKRZSA-N 0 1 268.385 4.725 50 0 CJAAMN Cc1ccc2nc(S[C@H](C)c3ccccc3)[nH]c2c1 ZINC000005818426 170143279 /nfs/dbraw/zinc/14/32/79/170143279.db2.gz HGXHUXYAQCGSIQ-GFCCVEGCSA-N 0 1 268.385 4.725 50 0 CJAAMN Fc1ccccc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000005819108 170143313 /nfs/dbraw/zinc/14/33/13/170143313.db2.gz LWXGQLJWOIJOLP-UHFFFAOYSA-N 0 1 292.766 4.648 50 0 CJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)c3ccccc3)n2)cc1 ZINC000005866196 170148688 /nfs/dbraw/zinc/14/86/88/170148688.db2.gz ASMVIVALRZWANE-ZDUSSCGKSA-N 0 1 295.411 4.633 50 0 CJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)c3ccccc3)n2)cc1 ZINC000005866201 170148638 /nfs/dbraw/zinc/14/86/38/170148638.db2.gz ASMVIVALRZWANE-CYBMUJFWSA-N 0 1 295.411 4.633 50 0 CJAAMN Cc1ccc2nc(SCc3cccc(Cl)c3)[nH]c2c1 ZINC000005887329 170150545 /nfs/dbraw/zinc/15/05/45/170150545.db2.gz JVXBBULPPLINSU-UHFFFAOYSA-N 0 1 288.803 4.817 50 0 CJAAMN CCOc1ccc2nc(SCc3ccc(C)cc3)[nH]c2c1 ZINC000006028493 170170070 /nfs/dbraw/zinc/17/00/70/170170070.db2.gz PFMVLUQBLRRJBC-UHFFFAOYSA-N 0 1 298.411 4.562 50 0 CJAAMN CC(=O)c1cccc(Nc2cc(C)nc3c(C)cccc23)c1 ZINC000006044868 170171800 /nfs/dbraw/zinc/17/18/00/170171800.db2.gz BKXVJMHZIOOGCZ-UHFFFAOYSA-N 0 1 290.366 4.798 50 0 CJAAMN CCOc1ccccc1Nc1cc(C)nc2c(C)cccc12 ZINC000006223639 326817721 /nfs/dbraw/zinc/81/77/21/326817721.db2.gz OOYYENZCMOJPPF-UHFFFAOYSA-N 0 1 292.382 4.994 50 0 CJAAMN COc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1 ZINC000006256876 260022378 /nfs/dbraw/zinc/02/23/78/260022378.db2.gz WFHRDMKXEBIHLO-UHFFFAOYSA-N 0 1 278.355 4.604 50 0 CJAAMN CCOc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1 ZINC000006387529 170197269 /nfs/dbraw/zinc/19/72/69/170197269.db2.gz SZOHPYCPIHKAML-UHFFFAOYSA-N 0 1 292.382 4.994 50 0 CJAAMN CCN(CC(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000006432439 170201128 /nfs/dbraw/zinc/20/11/28/170201128.db2.gz POUFCPOLMCLUQC-UHFFFAOYSA-N 0 1 295.426 4.677 50 0 CJAAMN Cc1cc(Nc2ccc(Cl)cc2)c2ccccc2n1 ZINC000006571337 170214167 /nfs/dbraw/zinc/21/41/67/170214167.db2.gz BVBVEJRKKXUUQO-UHFFFAOYSA-N 0 1 268.747 4.940 50 0 CJAAMN COc1ccccc1Nc1cc(C)nc2c(C)cccc12 ZINC000006614588 170219352 /nfs/dbraw/zinc/21/93/52/170219352.db2.gz LUFVCZZMEZFDDF-UHFFFAOYSA-N 0 1 278.355 4.604 50 0 CJAAMN Cc1ccc2nc(S[C@@H](C)c3ccc(F)cc3)[nH]c2c1 ZINC000006657458 170222792 /nfs/dbraw/zinc/22/27/92/170222792.db2.gz CWFSKHYJTBKLIP-NSHDSACASA-N 0 1 286.375 4.864 50 0 CJAAMN Cc1ccc2nc(S[C@H](C)c3ccc(F)cc3)[nH]c2c1 ZINC000006657459 170222919 /nfs/dbraw/zinc/22/29/19/170222919.db2.gz CWFSKHYJTBKLIP-LLVKDONJSA-N 0 1 286.375 4.864 50 0 CJAAMN C[C@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000006697129 170226781 /nfs/dbraw/zinc/22/67/81/170226781.db2.gz DCURWSHWHSDCQS-HNNXBMFYSA-N 0 1 277.367 4.797 50 0 CJAAMN C[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000006697130 170226950 /nfs/dbraw/zinc/22/69/50/170226950.db2.gz DCURWSHWHSDCQS-OAHLLOKOSA-N 0 1 277.367 4.797 50 0 CJAAMN Clc1ccccc1-c1ccc(CNCc2ccccc2)o1 ZINC000006743535 170238348 /nfs/dbraw/zinc/23/83/48/170238348.db2.gz JBUBIYFUTXLBCT-UHFFFAOYSA-N 0 1 297.785 4.890 50 0 CJAAMN Cc1ccc2nc(-c3ccc(C(C)C)cc3)[nH]c2c1 ZINC000006953532 170258955 /nfs/dbraw/zinc/25/89/55/170258955.db2.gz HQLIIJBRCBMWDN-UHFFFAOYSA-N 0 1 250.345 4.662 50 0 CJAAMN CC(C)c1ccc(CNCc2ccccc2Cl)cc1 ZINC000007009365 170262176 /nfs/dbraw/zinc/26/21/76/170262176.db2.gz AHACIUFQFIRXDF-UHFFFAOYSA-N 0 1 273.807 4.753 50 0 CJAAMN C[C@H](NCc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000007524295 170288870 /nfs/dbraw/zinc/28/88/70/170288870.db2.gz LWUVEORNVSNWLM-AWEZNQCLSA-N 0 1 295.357 4.937 50 0 CJAAMN C[C@@H](NCc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000007524297 170288715 /nfs/dbraw/zinc/28/87/15/170288715.db2.gz LWUVEORNVSNWLM-CQSZACIVSA-N 0 1 295.357 4.937 50 0 CJAAMN Fc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 ZINC000007524334 170288743 /nfs/dbraw/zinc/28/87/43/170288743.db2.gz ZREPDJHMVOQFEI-UHFFFAOYSA-N 0 1 299.320 4.515 50 0 CJAAMN Fc1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000007524408 170288802 /nfs/dbraw/zinc/28/88/02/170288802.db2.gz WSJXIPUDFVACBX-UHFFFAOYSA-N 0 1 299.320 4.515 50 0 CJAAMN Clc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1 ZINC000007524564 170288831 /nfs/dbraw/zinc/28/88/31/170288831.db2.gz AWTCDORRNSNDOC-UHFFFAOYSA-N 0 1 297.785 4.890 50 0 CJAAMN Clc1cccc(-c2ccc(CNCc3ccccc3)o2)c1 ZINC000007524800 170288883 /nfs/dbraw/zinc/28/88/83/170288883.db2.gz GKWYMSGQCUVNFW-UHFFFAOYSA-N 0 1 297.785 4.890 50 0 CJAAMN Cc1ccc(CNCc2cccc(Cl)c2Cl)cc1 ZINC000007538171 170289977 /nfs/dbraw/zinc/28/99/77/170289977.db2.gz KPERPISTUUOBPA-UHFFFAOYSA-N 0 1 280.198 4.592 50 0 CJAAMN Cc1ccc(CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000007538217 170290011 /nfs/dbraw/zinc/29/00/11/170290011.db2.gz FQPNEMFUMFPERP-UHFFFAOYSA-N 0 1 277.367 4.545 50 0 CJAAMN Cc1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000007538221 170289949 /nfs/dbraw/zinc/28/99/49/170289949.db2.gz YPBWJBFTDOKOBK-UHFFFAOYSA-N 0 1 295.357 4.684 50 0 CJAAMN CC[C@H](c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000007718854 170299429 /nfs/dbraw/zinc/29/94/29/170299429.db2.gz NYMUGFILUNOEJN-ZDUSSCGKSA-N 0 1 270.763 4.758 50 0 CJAAMN CC[C@@H](c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000007718855 170299356 /nfs/dbraw/zinc/29/93/56/170299356.db2.gz NYMUGFILUNOEJN-CYBMUJFWSA-N 0 1 270.763 4.758 50 0 CJAAMN Cc1cc(NC2CCCCC2)c2cc(Cl)ccc2n1 ZINC000007997074 170313066 /nfs/dbraw/zinc/31/30/66/170313066.db2.gz JLZILDMNRXILSZ-UHFFFAOYSA-N 0 1 274.795 4.941 50 0 CJAAMN CCOc1ccc(Cl)cc1CN[C@@H](C)c1ccccc1 ZINC000008324593 170330947 /nfs/dbraw/zinc/33/09/47/170330947.db2.gz MHKMNYMLIHBFKZ-ZDUSSCGKSA-N 0 1 289.806 4.590 50 0 CJAAMN CCOc1ccc(Cl)cc1CN[C@H](C)c1ccccc1 ZINC000008324597 170330964 /nfs/dbraw/zinc/33/09/64/170330964.db2.gz MHKMNYMLIHBFKZ-CYBMUJFWSA-N 0 1 289.806 4.590 50 0 CJAAMN C[C@H](NCc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000008403258 170335111 /nfs/dbraw/zinc/33/51/11/170335111.db2.gz VLDVXCCRGBQTHY-INIZCTEOSA-N 0 1 288.394 4.599 50 0 CJAAMN C[C@@H](NCc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000008403263 170335181 /nfs/dbraw/zinc/33/51/81/170335181.db2.gz VLDVXCCRGBQTHY-MRXNPFEDSA-N 0 1 288.394 4.599 50 0 CJAAMN C[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000008534275 170339051 /nfs/dbraw/zinc/33/90/51/170339051.db2.gz QUIMMNUIYHLJQM-NSHDSACASA-N 0 1 280.198 4.844 50 0 CJAAMN C[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000008535345 170339056 /nfs/dbraw/zinc/33/90/56/170339056.db2.gz QUIMMNUIYHLJQM-LLVKDONJSA-N 0 1 280.198 4.844 50 0 CJAAMN Cc1ccc2nc(SCc3cc(C)ccc3C)[nH]c2c1 ZINC000008549711 170339468 /nfs/dbraw/zinc/33/94/68/170339468.db2.gz QHSHYUQVNYZVPK-UHFFFAOYSA-N 0 1 282.412 4.780 50 0 CJAAMN COc1ccccc1-c1[nH]nc2c1[C@H](C)CC[C@H]2C(C)C ZINC000008578053 170341294 /nfs/dbraw/zinc/34/12/94/170341294.db2.gz DOCULXUTTBJQHV-OLZOCXBDSA-N 0 1 284.403 4.722 50 0 CJAAMN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccccc3)[nH]nc21 ZINC000008578659 170341441 /nfs/dbraw/zinc/34/14/41/170341441.db2.gz CLTINXZUQWHNMS-OCCSQVGLSA-N 0 1 254.377 4.714 50 0 CJAAMN Oc1c(-c2cc(-c3ccccc3)[nH]n2)ccc2ccccc21 ZINC000008892594 170358030 /nfs/dbraw/zinc/35/80/30/170358030.db2.gz MJUPAMSRKDJYGS-UHFFFAOYSA-N 0 1 286.334 4.603 50 0 CJAAMN C[C@@H](O[P@@](C)(=O)O[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000012358653 567862632 /nfs/dbraw/zinc/86/26/32/567862632.db2.gz XSQAITMTGIQAHD-DNJLBHFNSA-N 0 1 264.346 4.712 50 0 CJAAMN CC(C)Oc1ccc([C@@H](NCc2ccco2)C(C)C)cc1 ZINC000012391831 570315693 /nfs/dbraw/zinc/31/56/93/570315693.db2.gz MRMNTVISMMEAHV-SFHVURJKSA-N 0 1 287.403 4.554 50 0 CJAAMN CC(C)Oc1ccc([C@H](NCc2ccco2)C(C)C)cc1 ZINC000012391832 570315767 /nfs/dbraw/zinc/31/57/67/570315767.db2.gz MRMNTVISMMEAHV-GOSISDBHSA-N 0 1 287.403 4.554 50 0 CJAAMN CC1=NC(=S)SC1Cc1ccc(Cl)c(Cl)c1 ZINC000012476469 566844726 /nfs/dbraw/zinc/84/47/26/566844726.db2.gz VFQHQUJIQGTLEZ-UHFFFAOYSA-N 0 1 290.240 4.638 50 0 CJAAMN CCOc1ccc2nc(SCc3ccccc3C)[nH]c2c1 ZINC000012558445 567863477 /nfs/dbraw/zinc/86/34/77/567863477.db2.gz SRCVDFRJZMNTBU-UHFFFAOYSA-N 0 1 298.411 4.562 50 0 CJAAMN Clc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000012999175 567864729 /nfs/dbraw/zinc/86/47/29/567864729.db2.gz CWLKFFOXFNQDQP-UHFFFAOYSA-N 0 1 263.127 4.537 50 0 CJAAMN Clc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000013285079 567865616 /nfs/dbraw/zinc/86/56/16/567865616.db2.gz MPTBPLMLCWMQGI-UHFFFAOYSA-N 0 1 263.127 4.537 50 0 CJAAMN CCn1c2ccccc2cc/c1=N\c1ccc(Cl)cc1 ZINC000013286453 567865656 /nfs/dbraw/zinc/86/56/56/567865656.db2.gz LCCKBRGWMYZZAO-HTXNQAPBSA-N 0 1 282.774 4.547 50 0 CJAAMN Cc1cccc2nc(S[C@H](C)c3ccccc3)[nH]c21 ZINC000015831930 567871566 /nfs/dbraw/zinc/87/15/66/567871566.db2.gz KWPCEFKFAHWSAI-GFCCVEGCSA-N 0 1 268.385 4.725 50 0 CJAAMN Cc1cccc2nc(S[C@@H](C)c3ccccc3)[nH]c21 ZINC000015831932 567871588 /nfs/dbraw/zinc/87/15/88/567871588.db2.gz KWPCEFKFAHWSAI-LBPRGKRZSA-N 0 1 268.385 4.725 50 0 CJAAMN Cc1ccc2nc(COc3ccccc3C(C)C)[nH]c2c1 ZINC000015833535 567871358 /nfs/dbraw/zinc/87/13/58/567871358.db2.gz XSMQUTJYEJZZGV-UHFFFAOYSA-N 0 1 280.371 4.574 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3cc(C)ccc3C)[nH]c2c1 ZINC000015833593 567871353 /nfs/dbraw/zinc/87/13/53/567871353.db2.gz BPHOVEBWQOGXCI-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3cc(C)ccc3C)[nH]c2c1 ZINC000015833596 567871528 /nfs/dbraw/zinc/87/15/28/567871528.db2.gz BPHOVEBWQOGXCI-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1cccc([C@H]2CCCN2Cc2ccc(F)c(F)c2)c1 ZINC000015836776 570343591 /nfs/dbraw/zinc/34/35/91/570343591.db2.gz ACRPRBYAPXRTDW-GOSISDBHSA-N 0 1 287.353 4.610 50 0 CJAAMN Cc1cccc([C@@H]2CCCN2Cc2cc(F)ccc2F)c1 ZINC000015836802 570343770 /nfs/dbraw/zinc/34/37/70/570343770.db2.gz ITGQTHPVSXBQMO-SFHVURJKSA-N 0 1 287.353 4.610 50 0 CJAAMN Cc1cccc([C@H]2CCCN2Cc2cc(F)ccc2F)c1 ZINC000015836804 570343730 /nfs/dbraw/zinc/34/37/30/570343730.db2.gz ITGQTHPVSXBQMO-GOSISDBHSA-N 0 1 287.353 4.610 50 0 CJAAMN Cc1cccc([C@@H]2CCCN2Cc2cc(F)cc(F)c2)c1 ZINC000015836834 570344088 /nfs/dbraw/zinc/34/40/88/570344088.db2.gz FZVZIUBNALYCEL-SFHVURJKSA-N 0 1 287.353 4.610 50 0 CJAAMN Cc1cccc([C@H]2CCCN2Cc2cc(F)cc(F)c2)c1 ZINC000015836836 570344117 /nfs/dbraw/zinc/34/41/17/570344117.db2.gz FZVZIUBNALYCEL-GOSISDBHSA-N 0 1 287.353 4.610 50 0 CJAAMN Fc1cccc([C@@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000015837307 566921135 /nfs/dbraw/zinc/92/11/35/566921135.db2.gz JNLMQYMRLNVTET-KRWDZBQOSA-N 0 1 289.781 4.816 50 0 CJAAMN Fc1cccc([C@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000015837310 566921648 /nfs/dbraw/zinc/92/16/48/566921648.db2.gz JNLMQYMRLNVTET-QGZVFWFLSA-N 0 1 289.781 4.816 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3ccc(C)cc3C)[nH]c2c1 ZINC000016903883 567873583 /nfs/dbraw/zinc/87/35/83/567873583.db2.gz NBCQPXHOXFMANU-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3ccc(C)cc3C)[nH]c2c1 ZINC000016903884 567873703 /nfs/dbraw/zinc/87/37/03/567873703.db2.gz NBCQPXHOXFMANU-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3c(C)cccc3C)[nH]c2c1 ZINC000016903893 567873893 /nfs/dbraw/zinc/87/38/93/567873893.db2.gz IWTCTBTUADFDEC-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3c(C)cccc3C)[nH]c2c1 ZINC000016903895 567873537 /nfs/dbraw/zinc/87/35/37/567873537.db2.gz IWTCTBTUADFDEC-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1cccc2nc([C@@H](C)Oc3ccccc3Cl)[nH]c21 ZINC000016903904 567873759 /nfs/dbraw/zinc/87/37/59/567873759.db2.gz IFYQJCWCCIOQLI-LLVKDONJSA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1cccc2nc([C@H](C)Oc3ccccc3Cl)[nH]c21 ZINC000016903906 567873924 /nfs/dbraw/zinc/87/39/24/567873924.db2.gz IFYQJCWCCIOQLI-NSHDSACASA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc(C)c(O[C@H](C)c2nc3cccc(C)c3[nH]2)c1 ZINC000016903915 567873847 /nfs/dbraw/zinc/87/38/47/567873847.db2.gz VUGGAIDAHIIWIY-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc(C)c(O[C@@H](C)c2nc3cccc(C)c3[nH]2)c1 ZINC000016903917 567873611 /nfs/dbraw/zinc/87/36/11/567873611.db2.gz VUGGAIDAHIIWIY-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN CCc1ccc(O[C@@H](C)c2nc3cccc(C)c3[nH]2)cc1 ZINC000016903922 567873756 /nfs/dbraw/zinc/87/37/56/567873756.db2.gz HSWHFGGCMSMEQR-ZDUSSCGKSA-N 0 1 280.371 4.574 50 0 CJAAMN CCc1ccc(O[C@H](C)c2nc3cccc(C)c3[nH]2)cc1 ZINC000016903924 567873588 /nfs/dbraw/zinc/87/35/88/567873588.db2.gz HSWHFGGCMSMEQR-CYBMUJFWSA-N 0 1 280.371 4.574 50 0 CJAAMN Cc1cccc2nc([C@@H](C)Oc3ccc(C)c(C)c3)[nH]c21 ZINC000016903942 567873732 /nfs/dbraw/zinc/87/37/32/567873732.db2.gz NEJHSLJSRHKQSB-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1cccc2nc([C@H](C)Oc3ccc(C)c(C)c3)[nH]c21 ZINC000016903944 567873910 /nfs/dbraw/zinc/87/39/10/567873910.db2.gz NEJHSLJSRHKQSB-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccccc1O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000016903953 567873937 /nfs/dbraw/zinc/87/39/37/567873937.db2.gz JUVGTIMOFXTWLB-LLVKDONJSA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccccc1O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000016903954 567873562 /nfs/dbraw/zinc/87/35/62/567873562.db2.gz JUVGTIMOFXTWLB-NSHDSACASA-N 0 1 286.762 4.665 50 0 CJAAMN CC(C)c1ccc(O[C@@H](C)c2nc3ccc(F)cc3[nH]2)cc1 ZINC000016903974 567873658 /nfs/dbraw/zinc/87/36/58/567873658.db2.gz YRVTUPRQJVGHIG-LBPRGKRZSA-N 0 1 298.361 4.965 50 0 CJAAMN CC(C)c1ccc(O[C@H](C)c2nc3ccc(F)cc3[nH]2)cc1 ZINC000016903976 567873643 /nfs/dbraw/zinc/87/36/43/567873643.db2.gz YRVTUPRQJVGHIG-GFCCVEGCSA-N 0 1 298.361 4.965 50 0 CJAAMN c1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1 ZINC000018157863 567876884 /nfs/dbraw/zinc/87/68/84/567876884.db2.gz YTUIYBMAIYEAER-UHFFFAOYSA-N 0 1 274.367 4.502 50 0 CJAAMN CCN(CC)c1ccc(NCCCc2ccccc2)cc1 ZINC000019738529 567878800 /nfs/dbraw/zinc/87/88/00/567878800.db2.gz GMASILVAUCAKQI-UHFFFAOYSA-N 0 1 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Fc1ccc([C@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000020542550 171242717 /nfs/dbraw/zinc/24/27/17/171242717.db2.gz SHARTJMNVZNJBT-HXUWFJFHSA-N 0 1 291.369 4.705 50 0 CJAAMN CCn1cc(CNCc2ccccc2Cl)c2ccccc21 ZINC000020935005 171281606 /nfs/dbraw/zinc/28/16/06/171281606.db2.gz SDDPOOGRRZQRQX-UHFFFAOYSA-N 0 1 298.817 4.604 50 0 CJAAMN CSc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000021005467 171284965 /nfs/dbraw/zinc/28/49/65/171284965.db2.gz LQYJAHSFYAFQFV-UHFFFAOYSA-N 0 1 274.776 4.605 50 0 CJAAMN CC(C)CCn1c2ccccc2nc1[C@@H](C)N1CCCCC1 ZINC000021171061 171298761 /nfs/dbraw/zinc/29/87/61/171298761.db2.gz BPGCJXAAQWGPQB-MRXNPFEDSA-N 0 1 299.462 4.629 50 0 CJAAMN CC(C)CCn1c2ccccc2nc1[C@H](C)N1CCCCC1 ZINC000021171066 171298992 /nfs/dbraw/zinc/29/89/92/171298992.db2.gz BPGCJXAAQWGPQB-INIZCTEOSA-N 0 1 299.462 4.629 50 0 CJAAMN Cc1ccc(C(C)C)c(OCc2nc3ccc(F)cc3[nH]2)c1 ZINC000021658798 171318660 /nfs/dbraw/zinc/31/86/60/171318660.db2.gz IBEAXCYARLLLLB-UHFFFAOYSA-N 0 1 298.361 4.713 50 0 CJAAMN Cc1ccc2nc(COc3ccc(C(C)C)cc3)[nH]c2c1 ZINC000021658826 171318431 /nfs/dbraw/zinc/31/84/31/171318431.db2.gz WFDIXXYLAPVVIM-UHFFFAOYSA-N 0 1 280.371 4.574 50 0 CJAAMN Cc1ccc(O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000021658841 171318372 /nfs/dbraw/zinc/31/83/72/171318372.db2.gz OBBBNRKQHADNNB-LLVKDONJSA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc(O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000021658843 171318737 /nfs/dbraw/zinc/31/87/37/171318737.db2.gz OBBBNRKQHADNNB-NSHDSACASA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3cc(C)cc(C)c3)[nH]c2c1 ZINC000021658856 171318379 /nfs/dbraw/zinc/31/83/79/171318379.db2.gz FJPRXJIVSPOLMU-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3cc(C)cc(C)c3)[nH]c2c1 ZINC000021658857 171318817 /nfs/dbraw/zinc/31/88/17/171318817.db2.gz FJPRXJIVSPOLMU-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1cccc(O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000021658863 171318670 /nfs/dbraw/zinc/31/86/70/171318670.db2.gz QBUGMANDLFYAAU-LLVKDONJSA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1cccc(O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000021658865 171318768 /nfs/dbraw/zinc/31/87/68/171318768.db2.gz QBUGMANDLFYAAU-NSHDSACASA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3)[nH]c2c1 ZINC000021658920 171318363 /nfs/dbraw/zinc/31/83/63/171318363.db2.gz RTSJATBRPXVZIB-LLVKDONJSA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3ccc(Cl)cc3)[nH]c2c1 ZINC000021658922 171318576 /nfs/dbraw/zinc/31/85/76/171318576.db2.gz RTSJATBRPXVZIB-NSHDSACASA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3ccccc3Cl)[nH]c2c1 ZINC000021658938 171318405 /nfs/dbraw/zinc/31/84/05/171318405.db2.gz BITUAAHYHFTTEA-LLVKDONJSA-N 0 1 286.762 4.665 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3ccccc3Cl)[nH]c2c1 ZINC000021658939 171318819 /nfs/dbraw/zinc/31/88/19/171318819.db2.gz BITUAAHYHFTTEA-NSHDSACASA-N 0 1 286.762 4.665 50 0 CJAAMN CCCc1cc([C@@H]2CCCN2Cc2cc(C)ccc2C)no1 ZINC000021719766 171320753 /nfs/dbraw/zinc/32/07/53/171320753.db2.gz GJGVWPXUIHNOAR-IBGZPJMESA-N 0 1 298.430 4.581 50 0 CJAAMN CCCc1cc([C@H]2CCCN2Cc2cc(C)ccc2C)no1 ZINC000021719768 171320307 /nfs/dbraw/zinc/32/03/07/171320307.db2.gz GJGVWPXUIHNOAR-LJQANCHMSA-N 0 1 298.430 4.581 50 0 CJAAMN CCCc1cc([C@@H]2CCCN2Cc2ccc(C)cc2C)no1 ZINC000021719798 171320319 /nfs/dbraw/zinc/32/03/19/171320319.db2.gz ZNBYKWNLBRLYNM-IBGZPJMESA-N 0 1 298.430 4.581 50 0 CJAAMN CCCc1cc([C@H]2CCCN2Cc2ccc(C)cc2C)no1 ZINC000021719800 171320559 /nfs/dbraw/zinc/32/05/59/171320559.db2.gz ZNBYKWNLBRLYNM-LJQANCHMSA-N 0 1 298.430 4.581 50 0 CJAAMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000022150656 570308682 /nfs/dbraw/zinc/30/86/82/570308682.db2.gz VGYSFKNYFNJISQ-NEPJUHHUSA-N 0 1 277.770 4.891 50 0 CJAAMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000022150660 570308588 /nfs/dbraw/zinc/30/85/88/570308588.db2.gz VGYSFKNYFNJISQ-RYUDHWBXSA-N 0 1 277.770 4.891 50 0 CJAAMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000022150663 570308594 /nfs/dbraw/zinc/30/85/94/570308594.db2.gz VGYSFKNYFNJISQ-VXGBXAGGSA-N 0 1 277.770 4.891 50 0 CJAAMN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1Cl ZINC000022150666 256864742 /nfs/dbraw/zinc/86/47/42/256864742.db2.gz VGYSFKNYFNJISQ-NWDGAFQWSA-N 0 1 277.770 4.891 50 0 CJAAMN Cc1cccc2nc(COc3ccccc3C(C)C)[nH]c21 ZINC000033004139 567891292 /nfs/dbraw/zinc/89/12/92/567891292.db2.gz CQDTVXCELUPRCV-UHFFFAOYSA-N 0 1 280.371 4.574 50 0 CJAAMN Cc1ccc2nc([C@@H](C)Oc3ccc(C)c(C)c3)[nH]c2c1 ZINC000033004154 567891127 /nfs/dbraw/zinc/89/11/27/567891127.db2.gz OXSHRETWCMNQBI-CQSZACIVSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1ccc2nc([C@H](C)Oc3ccc(C)c(C)c3)[nH]c2c1 ZINC000033004156 567891314 /nfs/dbraw/zinc/89/13/14/567891314.db2.gz OXSHRETWCMNQBI-AWEZNQCLSA-N 0 1 280.371 4.628 50 0 CJAAMN Cc1cc2nc(COc3ccc(C(C)C)cc3)[nH]c2c(C)c1 ZINC000033327188 171784244 /nfs/dbraw/zinc/78/42/44/171784244.db2.gz YTROOUYZJLWRNN-UHFFFAOYSA-N 0 1 294.398 4.882 50 0 CJAAMN CC(C)[C@H]1CC[C@@H](C)c2c1n[nH]c2-c1ccccc1 ZINC000034496777 567933102 /nfs/dbraw/zinc/93/31/02/567933102.db2.gz CLTINXZUQWHNMS-TZMCWYRMSA-N 0 1 254.377 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290.432 4.505 50 0 CJAAMN Cc1ccsc1CN1CCC[C@H]1c1cc(C(C)C)no1 ZINC000035511296 172242662 /nfs/dbraw/zinc/24/26/62/172242662.db2.gz DELSPIOKLXJXOU-AWEZNQCLSA-N 0 1 290.432 4.505 50 0 CJAAMN Clc1ccc(NC2=Nc3ccccc3SC2)cc1 ZINC000035682729 172353478 /nfs/dbraw/zinc/35/34/78/172353478.db2.gz TZLDRZWODOVIPA-UHFFFAOYSA-N 0 1 274.776 4.588 50 0 CJAAMN Cc1ccc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000041006163 567890979 /nfs/dbraw/zinc/89/09/79/567890979.db2.gz ZTBKQDNPQXVOQT-UHFFFAOYSA-N 0 1 277.154 4.845 50 0 CJAAMN Cc1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 ZINC000043258002 567045173 /nfs/dbraw/zinc/04/51/73/567045173.db2.gz JPVAJADRNAWTGH-UHFFFAOYSA-N 0 1 258.324 4.692 50 0 CJAAMN CC(C)c1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000044346453 175165348 /nfs/dbraw/zinc/16/53/48/175165348.db2.gz VGIJMAOXKCAXAB-KDOFPFPSSA-N 0 1 283.415 4.816 50 0 CJAAMN CC(C)c1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000044346457 175165602 /nfs/dbraw/zinc/16/56/02/175165602.db2.gz VGIJMAOXKCAXAB-KSSFIOAISA-N 0 1 283.415 4.816 50 0 CJAAMN CC(C)c1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000044346460 175165266 /nfs/dbraw/zinc/16/52/66/175165266.db2.gz VGIJMAOXKCAXAB-RDTXWAMCSA-N 0 1 283.415 4.816 50 0 CJAAMN CC(C)c1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000044346464 175165495 /nfs/dbraw/zinc/16/54/95/175165495.db2.gz VGIJMAOXKCAXAB-KBXCAEBGSA-N 0 1 283.415 4.816 50 0 CJAAMN c1csc(CNC(c2ccccc2)c2ccccc2)c1 ZINC000055422437 567894362 /nfs/dbraw/zinc/89/43/62/567894362.db2.gz KXGUJBOADZGXCF-UHFFFAOYSA-N 0 1 279.408 4.627 50 0 CJAAMN FC(F)(F)c1ccccc1CNCc1ccccc1Cl ZINC000057274468 567895080 /nfs/dbraw/zinc/89/50/80/567895080.db2.gz RHNLJTJWJPOEJM-UHFFFAOYSA-N 0 1 299.723 4.649 50 0 CJAAMN O=C1CC=Cc2c3cc(C4CCCCC4)ccc3[nH]c21 ZINC000057476746 567894912 /nfs/dbraw/zinc/89/49/12/567894912.db2.gz HQBQIFFRSMMCRC-UHFFFAOYSA-N 0 1 265.356 4.815 50 0 CJAAMN c1ccc([C@@H]2CCCN2Cc2nc3ccccc3s2)cc1 ZINC000057981348 567894975 /nfs/dbraw/zinc/89/49/75/567894975.db2.gz BGHWDSROEMDECK-INIZCTEOSA-N 0 1 294.423 4.633 50 0 CJAAMN c1ccc([C@H]2CCCN2Cc2nc3ccccc3s2)cc1 ZINC000057981354 567894918 /nfs/dbraw/zinc/89/49/18/567894918.db2.gz BGHWDSROEMDECK-MRXNPFEDSA-N 0 1 294.423 4.633 50 0 CJAAMN CC(C)c1ccc(CN(C/C=C/Cl)C2CC2)cc1 ZINC000058470061 567895793 /nfs/dbraw/zinc/89/57/93/567895793.db2.gz HQJJLIRQWBNWBE-XCVCLJGOSA-N 0 1 263.812 4.527 50 0 CJAAMN CCN(Cc1nc2ccccc2s1)Cc1ccccc1C ZINC000058790197 566845712 /nfs/dbraw/zinc/84/57/12/566845712.db2.gz WLMZFRDRAJYDOJ-UHFFFAOYSA-N 0 1 296.439 4.627 50 0 CJAAMN c1ccc(Nc2ccncc2Oc2ccccc2)cc1 ZINC000060293814 567896699 /nfs/dbraw/zinc/89/66/99/567896699.db2.gz JYZUKJACRQUZEM-UHFFFAOYSA-N 0 1 262.312 4.618 50 0 CJAAMN CCc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984495 570243618 /nfs/dbraw/zinc/24/36/18/570243618.db2.gz AFFYDMZOBZEFTB-GOSISDBHSA-N 0 1 298.430 4.698 50 0 CJAAMN CCc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984497 570243709 /nfs/dbraw/zinc/24/37/09/570243709.db2.gz AFFYDMZOBZEFTB-SFHVURJKSA-N 0 1 298.430 4.698 50 0 CJAAMN c1cc([C@@H]2CCCCO2)oc1-c1nc[nH]c1-c1ccccc1 ZINC000065395667 567899227 /nfs/dbraw/zinc/89/92/27/567899227.db2.gz QRHFCQMYZOGFDI-AWEZNQCLSA-N 0 1 294.354 4.578 50 0 CJAAMN c1cc([C@H]2CCCCO2)oc1-c1nc[nH]c1-c1ccccc1 ZINC000065395668 567899085 /nfs/dbraw/zinc/89/90/85/567899085.db2.gz QRHFCQMYZOGFDI-CQSZACIVSA-N 0 1 294.354 4.578 50 0 CJAAMN Cc1cccc2nc(-c3ccc([C@@H]4CCCCO4)s3)[nH]c21 ZINC000067724592 567900256 /nfs/dbraw/zinc/90/02/56/567900256.db2.gz AFMDJQCAXSONPP-ZDUSSCGKSA-N 0 1 298.411 4.841 50 0 CJAAMN Cc1cccc2nc(-c3ccc([C@H]4CCCCO4)s3)[nH]c21 ZINC000067724594 567900363 /nfs/dbraw/zinc/90/03/63/567900363.db2.gz AFMDJQCAXSONPP-CYBMUJFWSA-N 0 1 298.411 4.841 50 0 CJAAMN Clc1ccc2nc(-c3c(Cl)cncc3Cl)[nH]c2c1 ZINC000067847857 518194682 /nfs/dbraw/zinc/19/46/82/518194682.db2.gz GOEBGBPQZDJHSD-UHFFFAOYSA-N 0 1 298.560 4.585 50 0 CJAAMN CSc1cccc(CN2CCCC[C@@H]2c2ccccn2)c1 ZINC000072143747 176324505 /nfs/dbraw/zinc/32/45/05/176324505.db2.gz IKTARJPZZSRYSF-GOSISDBHSA-N 0 1 298.455 4.531 50 0 CJAAMN CSc1cccc(CN2CCCC[C@H]2c2ccccn2)c1 ZINC000072143749 176323960 /nfs/dbraw/zinc/32/39/60/176323960.db2.gz IKTARJPZZSRYSF-SFHVURJKSA-N 0 1 298.455 4.531 50 0 CJAAMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000072296393 176363348 /nfs/dbraw/zinc/36/33/48/176363348.db2.gz UVCHGZKHEUFNIQ-NSHDSACASA-N 0 1 294.851 4.606 50 0 CJAAMN Cc1nc(C)c(CN(C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000072296394 176363489 /nfs/dbraw/zinc/36/34/89/176363489.db2.gz UVCHGZKHEUFNIQ-LLVKDONJSA-N 0 1 294.851 4.606 50 0 CJAAMN COc1ccccc1-c1[nH]nc2c1[C@H](C)CC[C@@H]2C(C)C ZINC000075245291 566938212 /nfs/dbraw/zinc/93/82/12/566938212.db2.gz DOCULXUTTBJQHV-CHWSQXEVSA-N 0 1 284.403 4.722 50 0 CJAAMN COc1ccccc1-c1[nH]nc2c1[C@@H](C)CC[C@H]2C(C)C ZINC000075245292 566938293 /nfs/dbraw/zinc/93/82/93/566938293.db2.gz DOCULXUTTBJQHV-STQMWFEESA-N 0 1 284.403 4.722 50 0 CJAAMN Cc1ccc(Nc2cc(C)nc3c(C)ccc(N)c23)c(C)c1 ZINC000075284468 566939686 /nfs/dbraw/zinc/93/96/86/566939686.db2.gz FDIVRIZZYHDOOL-UHFFFAOYSA-N 0 1 291.398 4.794 50 0 CJAAMN CCc1ccc(O[C@@H](C)c2nc3ccc(C)cc3[nH]2)cc1 ZINC000076555413 177037719 /nfs/dbraw/zinc/03/77/19/177037719.db2.gz PSPPSIPTNZNDJP-ZDUSSCGKSA-N 0 1 280.371 4.574 50 0 CJAAMN CCc1ccc(O[C@H](C)c2nc3ccc(C)cc3[nH]2)cc1 ZINC000076555415 177037863 /nfs/dbraw/zinc/03/78/63/177037863.db2.gz PSPPSIPTNZNDJP-CYBMUJFWSA-N 0 1 280.371 4.574 50 0 CJAAMN CCCCN(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000079059109 570395962 /nfs/dbraw/zinc/39/59/62/570395962.db2.gz TVJJWUCZLLWLCB-UHFFFAOYSA-N 0 1 292.810 4.535 50 0 CJAAMN CCN(Cc1sc2ccccc2c1Cl)C1CC1 ZINC000084774819 566887508 /nfs/dbraw/zinc/88/75/08/566887508.db2.gz MURDGSDUBDRQBI-UHFFFAOYSA-N 0 1 265.809 4.539 50 0 CJAAMN C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000089904934 567030912 /nfs/dbraw/zinc/03/09/12/567030912.db2.gz MOZVILZANQEPJC-GJZGRUSLSA-N 0 1 292.382 4.753 50 0 CJAAMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(-c2ccncc2)cc1 ZINC000089904935 567031029 /nfs/dbraw/zinc/03/10/29/567031029.db2.gz MOZVILZANQEPJC-CABCVRRESA-N 0 1 292.382 4.753 50 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4.709 50 0 CJAAMN CCc1ccc([C@@H](C)N[C@H](C)c2cccnc2Cl)cc1 ZINC000095419219 567132476 /nfs/dbraw/zinc/13/24/76/567132476.db2.gz DWQBRMBUHSSUMF-CHWSQXEVSA-N 0 1 288.822 4.709 50 0 CJAAMN CCc1ccc([C@H](C)N[C@H](C)c2cccnc2Cl)cc1 ZINC000095419220 567132304 /nfs/dbraw/zinc/13/23/04/567132304.db2.gz DWQBRMBUHSSUMF-QWHCGFSZSA-N 0 1 288.822 4.709 50 0 CJAAMN Clc1cccc(Cl)c1-c1nc2c(ccnc2Cl)[nH]1 ZINC000095698510 185017964 /nfs/dbraw/zinc/01/79/64/185017964.db2.gz GRYGSZXZKABJEG-UHFFFAOYSA-N 0 1 298.560 4.585 50 0 CJAAMN Clc1cccc(Cl)c1-c1nc2cc[nH]c(Cl)c-2n1 ZINC000095698510 185017963 /nfs/dbraw/zinc/01/79/63/185017963.db2.gz GRYGSZXZKABJEG-UHFFFAOYSA-N 0 1 298.560 4.585 50 0 CJAAMN CCc1ccc([C@@H](C)N[C@@H]2CCOc3c(F)cccc32)cc1 ZINC000095967105 185046388 /nfs/dbraw/zinc/04/63/88/185046388.db2.gz CKAZVVDOYJPHCK-FZKQIMNGSA-N 0 1 299.389 4.563 50 0 CJAAMN CCc1ccc([C@H](C)N[C@@H]2CCOc3c(F)cccc32)cc1 ZINC000095967106 185046903 /nfs/dbraw/zinc/04/69/03/185046903.db2.gz CKAZVVDOYJPHCK-SCLBCKFNSA-N 0 1 299.389 4.563 50 0 CJAAMN CCc1ccc([C@@H](C)N[C@H]2CCOc3c(F)cccc32)cc1 ZINC000095967107 185046677 /nfs/dbraw/zinc/04/66/77/185046677.db2.gz CKAZVVDOYJPHCK-ACJLOTCBSA-N 0 1 299.389 4.563 50 0 CJAAMN CCc1ccc([C@H](C)N[C@H]2CCOc3c(F)cccc32)cc1 ZINC000095967108 185046760 /nfs/dbraw/zinc/04/67/60/185046760.db2.gz CKAZVVDOYJPHCK-UGSOOPFHSA-N 0 1 299.389 4.563 50 0 CJAAMN CC1(C)CN(Cc2ccc(Cl)cc2Cl)CC1(C)C ZINC000096026601 567139324 /nfs/dbraw/zinc/13/93/24/567139324.db2.gz NNFOONWWIXXOCM-UHFFFAOYSA-N 0 1 286.246 4.861 50 0 CJAAMN CC1(C)CN(Cc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000096026602 567139202 /nfs/dbraw/zinc/13/92/02/567139202.db2.gz XWNQVFDKWNDBCV-UHFFFAOYSA-N 0 1 286.246 4.861 50 0 CJAAMN CC(C)(C)c1ccc(-c2cc(-c3ccccc3O)n[nH]2)cc1 ZINC000100565977 570354614 /nfs/dbraw/zinc/35/46/14/570354614.db2.gz GKFUWGIKXZPLAX-UHFFFAOYSA-N 0 1 292.382 4.747 50 0 CJAAMN CC(C(=O)c1ccc(C)c(C)c1)=C(O)c1ccc(C)c(C)c1 ZINC000100780625 567913814 /nfs/dbraw/zinc/91/38/14/567913814.db2.gz CGJOWGDEVUJEFE-UHFFFAOYSA-N 0 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