smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)Nc2ccn3nccc3c2)c(OC)c1 ZINC000217953076 189712743 /nfs/dbraw/zinc/71/27/43/189712743.db2.gz SYGNOONUNJXHLR-UHFFFAOYSA-N 0 0 297.314 2.604 50 70 CFIARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(C)s1 ZINC000218237688 189713849 /nfs/dbraw/zinc/71/38/49/189713849.db2.gz YBHFZKQXPBCUMD-GFCCVEGCSA-N 0 0 294.420 2.530 50 70 CFIARN O=C(c1ccnc(F)c1)N1CC=C(C(F)(F)F)CC1 ZINC000160582562 296269909 /nfs/dbraw/zinc/26/99/09/296269909.db2.gz FLYDVIUFELZLRE-UHFFFAOYSA-N 0 0 274.217 2.555 50 70 CFIARN COC(=O)CCC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159606980 378720428 /nfs/dbraw/zinc/72/04/28/378720428.db2.gz DDCKPBIPAZXVGY-NSHDSACASA-N 0 0 293.388 2.715 50 70 CFIARN COc1cc(NC(=O)c2cscn2)ccc1F ZINC000160391696 378768331 /nfs/dbraw/zinc/76/83/31/378768331.db2.gz KFDFDRVDJICJAL-UHFFFAOYSA-N 0 0 252.270 2.543 50 70 CFIARN CC[C@H](CNC(=O)NO[C@@H]1CCCCO1)c1ccccc1 ZINC000161371375 378843295 /nfs/dbraw/zinc/84/32/95/378843295.db2.gz KRPQHKRWOUUOAB-UKRRQHHQSA-N 0 0 292.379 2.938 50 70 CFIARN Cc1ccccc1CNC(=O)N(CCO)Cc1ccccc1 ZINC000217313770 382786001 /nfs/dbraw/zinc/78/60/01/382786001.db2.gz GIIOKECVLWLTFY-UHFFFAOYSA-N 0 0 298.386 2.699 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)c1cccs1 ZINC000217524587 382786661 /nfs/dbraw/zinc/78/66/61/382786661.db2.gz ALRVXPACAUXTOF-JTQLQIEISA-N 0 0 267.375 2.663 50 70 CFIARN O=C(C1CCC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653093 382787418 /nfs/dbraw/zinc/78/74/18/382787418.db2.gz FEFQJYOSEFHICE-OAHLLOKOSA-N 0 0 296.374 2.519 50 70 CFIARN Cn1cccc1[C@@H](O)CCNC(=O)c1cc2ccccc2o1 ZINC000217933636 382788424 /nfs/dbraw/zinc/78/84/24/382788424.db2.gz PWUVJWODQSRLLF-AWEZNQCLSA-N 0 0 298.342 2.625 50 70 CFIARN CC[C@H](NC(=O)c1ccsc1)c1cn2cccnc2n1 ZINC000217954790 382788490 /nfs/dbraw/zinc/78/84/90/382788490.db2.gz SACKVWMZEPCMSS-NSHDSACASA-N 0 0 286.360 2.672 50 70 CFIARN C[C@@](O)(CNC(=O)C1CCCC1)c1cc2ccccc2o1 ZINC000217982958 382788501 /nfs/dbraw/zinc/78/85/01/382788501.db2.gz BQYDXGCDPPXVNA-QGZVFWFLSA-N 0 0 287.359 2.947 50 70 CFIARN CCc1cnc(C)nc1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000218038756 382788804 /nfs/dbraw/zinc/78/88/04/382788804.db2.gz PIIAMXUPIWUUBH-CQSZACIVSA-N 0 0 295.386 2.943 50 70 CFIARN CC(C)[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C ZINC000218123486 382789316 /nfs/dbraw/zinc/78/93/16/382789316.db2.gz PQGJFKXFMAMJMD-AWEZNQCLSA-N 0 0 271.364 2.797 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)c1cccs1 ZINC000217524678 189710215 /nfs/dbraw/zinc/71/02/15/189710215.db2.gz ALRVXPACAUXTOF-SNVBAGLBSA-N 0 0 267.375 2.663 50 70 CFIARN O=C(NCCSC1CCOCC1)Nc1ccc(F)cc1 ZINC000217707715 189711427 /nfs/dbraw/zinc/71/14/27/189711427.db2.gz USCOWKJDLRSOQC-UHFFFAOYSA-N 0 0 298.383 2.859 50 70 CFIARN CCOC(C)(C)C(=O)NCc1c[nH]nc1-c1ccccc1 ZINC000218065299 189713345 /nfs/dbraw/zinc/71/33/45/189713345.db2.gz OFGFNUDBWYRQDP-UHFFFAOYSA-N 0 0 287.363 2.508 50 70 CFIARN CCOCCC(=O)N[C@H](CC)c1nc(C)c(C)s1 ZINC000218190692 189713778 /nfs/dbraw/zinc/71/37/78/189713778.db2.gz LYIMFUYEMDEOLV-LLVKDONJSA-N 0 0 270.398 2.754 50 70 CFIARN CCN(Cc1nccn1C)C(=O)c1ccc2cc[nH]c2c1 ZINC000218205585 189714019 /nfs/dbraw/zinc/71/40/19/189714019.db2.gz NOSQQFAODUQISU-UHFFFAOYSA-N 0 0 282.347 2.564 50 70 CFIARN CCOc1ccc2c(c1)sc(=N)n2CCSC ZINC000217429369 382786267 /nfs/dbraw/zinc/78/62/67/382786267.db2.gz MBPNQGGGYBPHGK-UHFFFAOYSA-N 0 0 268.407 2.944 50 70 CFIARN CC(C)(C)C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217594585 382786822 /nfs/dbraw/zinc/78/68/22/382786822.db2.gz RXFNJNMDGGSIEL-KRWDZBQOSA-N 0 0 287.359 2.721 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)[C@H]1CC=CCC1 ZINC000217533796 382786914 /nfs/dbraw/zinc/78/69/14/382786914.db2.gz HOESVCJJUDOJMW-AAEUAGOBSA-N 0 0 265.378 2.644 50 70 CFIARN CSC[C@](C)(O)CNC(=O)c1cc2ccccc2s1 ZINC000217701631 382787564 /nfs/dbraw/zinc/78/75/64/382787564.db2.gz XDPWGYXJRMIZEP-CQSZACIVSA-N 0 0 295.429 2.745 50 70 CFIARN Cc1ccc(F)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1Cl ZINC000217992868 382788406 /nfs/dbraw/zinc/78/84/06/382788406.db2.gz QEQYOROYNUXJQY-MIMYLULJSA-N 0 0 283.730 2.695 50 70 CFIARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(C)s1 ZINC000218237762 382789848 /nfs/dbraw/zinc/78/98/48/382789848.db2.gz YBHFZKQXPBCUMD-LBPRGKRZSA-N 0 0 294.420 2.530 50 70 CFIARN O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CC=CCC1 ZINC000218403527 382790373 /nfs/dbraw/zinc/79/03/73/382790373.db2.gz XVNASWWXLRMPNM-CQSZACIVSA-N 0 0 271.360 2.984 50 70 CFIARN Cc1ccc([C@H](C)NC(=O)c2cccc(O)c2)cn1 ZINC000218677103 382790650 /nfs/dbraw/zinc/79/06/50/382790650.db2.gz KDQRXAMZPFGSGI-NSHDSACASA-N 0 0 256.305 2.587 50 70 CFIARN Cc1cc2c(ncnc2N[C@@H]2C[C@@H]3OCC[C@H]23)s1 ZINC000217118461 292013333 /nfs/dbraw/zinc/01/33/33/292013333.db2.gz HKCUFDFUZQIQIR-IEBDPFPHSA-N 0 0 261.350 2.589 50 70 CFIARN Cc1[nH]c2ccc(C(=O)N[C@@H]3C[C@@H]4OCC[C@H]34)cc2c1C ZINC000217078837 413064068 /nfs/dbraw/zinc/06/40/68/413064068.db2.gz IGTNKNXCLFUGSN-WQVCFCJDSA-N 0 0 284.359 2.692 50 70 CFIARN CC[C@H](NC(=O)CCC(F)(F)F)c1nc(C)c[nH]1 ZINC000217081929 413063891 /nfs/dbraw/zinc/06/38/91/413063891.db2.gz GRSIYQDRGQXNJG-QMMMGPOBSA-N 0 0 263.263 2.628 50 70 CFIARN O=C(c1ncc(F)cc1F)N1CCC[C@@H]1c1ccccn1 ZINC000217086824 413063941 /nfs/dbraw/zinc/06/39/41/413063941.db2.gz ZJVHQPVKZPZANW-CYBMUJFWSA-N 0 0 289.285 2.732 50 70 CFIARN CC[C@H](NC(=O)c1cc(C)nn1CC)c1ncccc1C ZINC000218546998 393758378 /nfs/dbraw/zinc/75/83/78/393758378.db2.gz ZIVPGYBBMMTYQP-ZDUSSCGKSA-N 0 0 286.379 2.796 50 70 CFIARN C[C@@H]1CCN(c2ccnc3c(F)cc(F)cc23)C[C@@H]1O ZINC000160261523 394365918 /nfs/dbraw/zinc/36/59/18/394365918.db2.gz DDCJDGWNXSHFEN-OTYXRUKQSA-N 0 0 278.302 2.720 50 70 CFIARN COC1(CNC(=O)Nc2ccnc(C)c2Cl)CCC1 ZINC000159552486 348013209 /nfs/dbraw/zinc/01/32/09/348013209.db2.gz MQZULUMWGAQXFH-UHFFFAOYSA-N 0 0 283.759 2.734 50 70 CFIARN O=C(C1CCC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217812628 348165305 /nfs/dbraw/zinc/16/53/05/348165305.db2.gz DATCFJUHJYGRIP-NSHDSACASA-N 0 0 289.379 2.528 50 70 CFIARN O=C(C1CCC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217812550 348165385 /nfs/dbraw/zinc/16/53/85/348165385.db2.gz DATCFJUHJYGRIP-LLVKDONJSA-N 0 0 289.379 2.528 50 70 CFIARN CCSCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160485896 378775835 /nfs/dbraw/zinc/77/58/35/378775835.db2.gz KKYKVJBQRGFUCO-UHFFFAOYSA-N 0 0 277.393 2.631 50 70 CFIARN CCS(=O)(=O)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217288238 382785964 /nfs/dbraw/zinc/78/59/64/382785964.db2.gz ZFXLZSLRBKDPRL-CQSZACIVSA-N 0 0 267.394 2.606 50 70 CFIARN CSC[C@@](C)(O)CNC(=O)c1cc2ccccc2s1 ZINC000217701558 382787179 /nfs/dbraw/zinc/78/71/79/382787179.db2.gz XDPWGYXJRMIZEP-AWEZNQCLSA-N 0 0 295.429 2.745 50 70 CFIARN O=C(CC1CC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217815771 382788081 /nfs/dbraw/zinc/78/80/81/382788081.db2.gz ABOJSXXTRRYGAN-GFCCVEGCSA-N 0 0 289.379 2.528 50 70 CFIARN Cc1cc(CC(=O)N[C@@H](C)c2nc3cc(C)ccc3[nH]2)on1 ZINC000217884605 382788444 /nfs/dbraw/zinc/78/84/44/382788444.db2.gz UFHYJKAZQPMOHU-NSHDSACASA-N 0 0 298.346 2.588 50 70 CFIARN O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccccc1 ZINC000217978821 382788473 /nfs/dbraw/zinc/78/84/73/382788473.db2.gz XKGCNTUUUPFXIU-KRWDZBQOSA-N 0 0 296.370 2.979 50 70 CFIARN O=C(Cc1cccs1)Nc1ccn2nccc2c1 ZINC000217955141 382788503 /nfs/dbraw/zinc/78/85/03/382788503.db2.gz RVXOYMWCAXXCGZ-UHFFFAOYSA-N 0 0 257.318 2.577 50 70 CFIARN O=C(NCCCNc1cccnc1)c1ccc2cc[nH]c2c1 ZINC000218446860 382790290 /nfs/dbraw/zinc/79/02/90/382790290.db2.gz FCWAMNTZOZJYIG-UHFFFAOYSA-N 0 0 294.358 2.795 50 70 CFIARN COC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000218765271 382790687 /nfs/dbraw/zinc/79/06/87/382790687.db2.gz GXOSFUXXUZYQFB-NSHDSACASA-N 0 0 267.756 2.757 50 70 CFIARN Cc1cc(C(=O)N2CCO[C@H](c3cccnc3)C2)c(C)o1 ZINC000218603941 393758288 /nfs/dbraw/zinc/75/82/88/393758288.db2.gz OVXAKJBBUAHLRG-HNNXBMFYSA-N 0 0 286.331 2.505 50 70 CFIARN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000218069361 397620733 /nfs/dbraw/zinc/62/07/33/397620733.db2.gz SDKFSZXPJAJNKJ-INIZCTEOSA-N 0 0 299.374 2.983 50 70 CFIARN C[Si](C)(C)[SiH](c1ccccc1)[Si](C)(C)C ZINC000169816614 300888412 /nfs/dbraw/zinc/88/84/12/300888412.db2.gz LUYFOVOEKZLCOU-UHFFFAOYSA-N 0 0 252.582 2.954 50 70 CFIARN CC(C)c1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000161046675 348023029 /nfs/dbraw/zinc/02/30/29/348023029.db2.gz JKKYDWQMAMPLOV-UHFFFAOYSA-N 0 0 281.356 2.602 50 70 CFIARN COc1ccc2sc(=N)n(CCSC)c2c1 ZINC000217432473 189709437 /nfs/dbraw/zinc/70/94/37/189709437.db2.gz GVGDPBZDCZSUGD-UHFFFAOYSA-N 0 0 254.380 2.554 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)NCc1cccs1 ZINC000217545331 189710178 /nfs/dbraw/zinc/71/01/78/189710178.db2.gz BPUJRAFVJBTTRC-LBPRGKRZSA-N 0 0 296.417 2.733 50 70 CFIARN Cc1ccccc1NC(=O)NCC[C@H](O)c1cccn1C ZINC000217949949 189712687 /nfs/dbraw/zinc/71/26/87/189712687.db2.gz MJLJPVVWXZOQRX-HNNXBMFYSA-N 0 0 287.363 2.579 50 70 CFIARN O=C(NCCc1cn[nH]c1)c1c(Cl)cccc1Cl ZINC000217047331 382785497 /nfs/dbraw/zinc/78/54/97/382785497.db2.gz DOLMMACHPDZSKT-UHFFFAOYSA-N 0 0 284.146 2.689 50 70 CFIARN COc1cccc(F)c1C(=O)N(C)CC[C@@H]1CCCCO1 ZINC000217548687 382786678 /nfs/dbraw/zinc/78/66/78/382786678.db2.gz YMYHUUQXWYTOCU-LBPRGKRZSA-N 0 0 295.354 2.866 50 70 CFIARN CC[C@H](NC(=O)Cc1ccc(F)cc1Cl)C1CC(O)C1 ZINC000218009832 382788984 /nfs/dbraw/zinc/78/89/84/382788984.db2.gz MVXUYBBFRGDCGG-OVGLSYRBSA-N 0 0 299.773 2.687 50 70 CFIARN CSCC(=O)N(C)Cc1cccc2cnccc21 ZINC000218413698 382790332 /nfs/dbraw/zinc/79/03/32/382790332.db2.gz PMTXQVZCCQINKC-UHFFFAOYSA-N 0 0 260.362 2.556 50 70 CFIARN Cc1ccc2ncccc2c1CNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000218725867 382790623 /nfs/dbraw/zinc/79/06/23/382790623.db2.gz RFLGAKWMKKERAN-UONOGXRCSA-N 0 0 298.386 2.711 50 70 CFIARN COC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000218765229 382790625 /nfs/dbraw/zinc/79/06/25/382790625.db2.gz GXOSFUXXUZYQFB-LLVKDONJSA-N 0 0 267.756 2.757 50 70 CFIARN CC(C)c1csc(C(=O)NCCc2cccnc2)n1 ZINC000217202055 393756994 /nfs/dbraw/zinc/75/69/94/393756994.db2.gz UAHKZSHPSXUKAS-UHFFFAOYSA-N 0 0 275.377 2.634 50 70 CFIARN O=C1C[C@H](c2ccccc2)c2cc3c(cc2O1)OCO3 ZINC000217757985 393757794 /nfs/dbraw/zinc/75/77/94/393757794.db2.gz XQTUSQJDXAPXCE-LLVKDONJSA-N 0 0 268.268 2.856 50 70 CFIARN CC(=O)N1CC(Nc2cccc3c2ccn3C(C)C)=CC1=O ZINC000218555851 393758580 /nfs/dbraw/zinc/75/85/80/393758580.db2.gz XHOKGJWXEPHCKX-UHFFFAOYSA-N 0 0 297.358 2.907 50 70 CFIARN Cc1cc(C[C@H](C)NC(=O)c2ccc3c(c2)CCCC3)[nH]n1 ZINC000161258483 188518364 /nfs/dbraw/zinc/51/83/64/188518364.db2.gz MXGXDYDYQWAFMQ-LBPRGKRZSA-N 0 0 297.402 2.958 50 70 CFIARN CCSc1ccc(C(=O)NCC2(C)COC2)s1 ZINC000217403089 189709930 /nfs/dbraw/zinc/70/99/30/189709930.db2.gz NWUKRYCGXNDOAI-UHFFFAOYSA-N 0 0 271.407 2.626 50 70 CFIARN COc1ccccc1C(=O)NCC[C@H](O)c1ccsc1 ZINC000217526001 189710174 /nfs/dbraw/zinc/71/01/74/189710174.db2.gz CBJVCFHNCQEFNT-ZDUSSCGKSA-N 0 0 291.372 2.610 50 70 CFIARN CCCc1cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)cs1 ZINC000218230086 189713829 /nfs/dbraw/zinc/71/38/29/189713829.db2.gz GVQCEDYVWSAZOZ-UPJWGTAASA-N 0 0 265.378 2.608 50 70 CFIARN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCC2(CCC2)C1 ZINC000159406574 284317636 /nfs/dbraw/zinc/31/76/36/284317636.db2.gz SEJHTLLYOPGZJS-UHFFFAOYSA-N 0 0 297.358 2.509 50 70 CFIARN CC(C)n1cc2cc(NC(=O)Nc3ccn(C)n3)ccc2n1 ZINC000161247270 378832905 /nfs/dbraw/zinc/83/29/05/378832905.db2.gz VLYXMTPDTHINEB-UHFFFAOYSA-N 0 0 298.350 2.995 50 70 CFIARN CC(C)NC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000160975812 378813676 /nfs/dbraw/zinc/81/36/76/378813676.db2.gz QGRXNIKIPACYBS-UHFFFAOYSA-N 0 0 276.258 2.845 50 70 CFIARN O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC1 ZINC000160983961 378813820 /nfs/dbraw/zinc/81/38/20/378813820.db2.gz RROSAGQSVJCXPG-UHFFFAOYSA-N 0 0 274.242 2.599 50 70 CFIARN O=C(CC1CCCC1)NCCSC1CCOCC1 ZINC000217699346 382787204 /nfs/dbraw/zinc/78/72/04/382787204.db2.gz PQGQWYPTRRQKNT-UHFFFAOYSA-N 0 0 271.426 2.595 50 70 CFIARN CC(C)c1nnc([C@H](C)NC(=O)CCC(F)(F)F)o1 ZINC000217722079 382787812 /nfs/dbraw/zinc/78/78/12/382787812.db2.gz VJDNIIWUBMRACM-ZETCQYMHSA-N 0 0 279.262 2.713 50 70 CFIARN CC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217807040 382787877 /nfs/dbraw/zinc/78/78/77/382787877.db2.gz CZVRPHDBLKLVSV-NSHDSACASA-N 0 0 291.395 2.774 50 70 CFIARN O=C1C[C@@H](c2ccc(O)cc2)c2cc3c(cc2O1)OCO3 ZINC000217793271 382787962 /nfs/dbraw/zinc/78/79/62/382787962.db2.gz MYJYRSNMCDQADS-NSHDSACASA-N 0 0 284.267 2.562 50 70 CFIARN O=C(Nc1ccn2nccc2c1)Nc1ccc2c(c1)OCO2 ZINC000217959009 382788433 /nfs/dbraw/zinc/78/84/33/382788433.db2.gz OWBVGCRENSGQCO-UHFFFAOYSA-N 0 0 296.286 2.707 50 70 CFIARN O=C(NCc1cccnc1)c1ccc(F)c(-n2cccc2)c1 ZINC000218509156 382790380 /nfs/dbraw/zinc/79/03/80/382790380.db2.gz BSMZVVQKYMEIJO-UHFFFAOYSA-N 0 0 295.317 2.941 50 70 CFIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000217864567 275506162 /nfs/dbraw/zinc/50/61/62/275506162.db2.gz RRWFYNGCFIDRFC-ZDUSSCGKSA-N 0 0 298.294 2.741 50 70 CFIARN O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1c1cccnc1 ZINC000218122580 304605267 /nfs/dbraw/zinc/60/52/67/304605267.db2.gz KOTKCADYCFPKDE-HNNXBMFYSA-N 0 0 296.374 2.661 50 70 CFIARN O=C(NC1CC=CC1)c1cc(F)c(F)c(F)c1F ZINC000160872420 348021504 /nfs/dbraw/zinc/02/15/04/348021504.db2.gz QJBNYTBILPZICC-UHFFFAOYSA-N 0 0 259.202 2.691 50 70 CFIARN Cc1nnsc1C(=O)N1CCS[C@@H]1c1ccsc1 ZINC000217635749 189710580 /nfs/dbraw/zinc/71/05/80/189710580.db2.gz BSHGVIUTVPJIEU-LLVKDONJSA-N 0 0 297.430 2.796 50 70 CFIARN CO[C@@H](C(=O)Nc1cc(C2CC2)nc(C)n1)c1ccccc1 ZINC000160099526 378748748 /nfs/dbraw/zinc/74/87/48/378748748.db2.gz CYILNFCZKNTRIR-MRXNPFEDSA-N 0 0 297.358 2.989 50 70 CFIARN COc1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160540854 378781172 /nfs/dbraw/zinc/78/11/72/378781172.db2.gz BGIUNZIIMMATQA-UONOGXRCSA-N 0 0 285.347 2.817 50 70 CFIARN CC[C@H](NC(=O)c1cc(C)oc1C)c1nc(C)c[nH]1 ZINC000217638950 382787224 /nfs/dbraw/zinc/78/72/24/382787224.db2.gz RPQYFIFUYKQIIZ-LBPRGKRZSA-N 0 0 261.325 2.809 50 70 CFIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(C)=O ZINC000217756723 382787933 /nfs/dbraw/zinc/78/79/33/382787933.db2.gz VAYAJAYMYDQCII-AWEZNQCLSA-N 0 0 258.321 2.690 50 70 CFIARN Cc1cccc(NC(=O)CC2(n3cccc3)CCOCC2)n1 ZINC000218239782 382789775 /nfs/dbraw/zinc/78/97/75/382789775.db2.gz RWCRNJQJXMWXFC-UHFFFAOYSA-N 0 0 299.374 2.726 50 70 CFIARN O=C(C[C@@H]1C=CCC1)NCc1nc2ccccc2o1 ZINC000218308514 382789855 /nfs/dbraw/zinc/78/98/55/382789855.db2.gz KFPIINCGFQOUGN-LLVKDONJSA-N 0 0 256.305 2.800 50 70 CFIARN CCc1ccc(C(=O)N(CC)Cc2cccnc2)[nH]1 ZINC000218506663 382790316 /nfs/dbraw/zinc/79/03/16/382790316.db2.gz SNBVMKHRFWTCPD-UHFFFAOYSA-N 0 0 257.337 2.634 50 70 CFIARN Cc1cc(C(=O)N[C@H](C)c2nncn2C(C)C)ccc1F ZINC000218556466 393758323 /nfs/dbraw/zinc/75/83/23/393758323.db2.gz VMAZTCJOMFDSEV-LLVKDONJSA-N 0 0 290.342 2.798 50 70 CFIARN Cc1cc(C(=O)N[C@@H](C)c2nncn2C(C)C)ccc1F ZINC000218556381 393758496 /nfs/dbraw/zinc/75/84/96/393758496.db2.gz VMAZTCJOMFDSEV-NSHDSACASA-N 0 0 290.342 2.798 50 70 CFIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000217864658 277114409 /nfs/dbraw/zinc/11/44/09/277114409.db2.gz RRWFYNGCFIDRFC-CYBMUJFWSA-N 0 0 298.294 2.741 50 70 CFIARN O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc2cc(Cl)ccc2[nH]1 ZINC000218583179 279999321 /nfs/dbraw/zinc/99/93/21/279999321.db2.gz MYNQLAWFBHXKBM-OSMZGAPFSA-N 0 0 290.750 2.729 50 70 CFIARN C[C@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000159756942 188440198 /nfs/dbraw/zinc/44/01/98/188440198.db2.gz KMWFIVYBHCWEQC-SECBINFHSA-N 0 0 266.291 2.943 50 70 CFIARN CS[C@@H](C)CC(=O)N(Cc1ccncc1)C1CC1 ZINC000160822932 188493225 /nfs/dbraw/zinc/49/32/25/188493225.db2.gz IXIYPSLEZRPRBH-NSHDSACASA-N 0 0 264.394 2.714 50 70 CFIARN COc1ccnc(CNC(=O)c2sccc2Cl)c1 ZINC000217721363 189711379 /nfs/dbraw/zinc/71/13/79/189711379.db2.gz VCPILAVBZNYVHK-UHFFFAOYSA-N 0 0 282.752 2.735 50 70 CFIARN O=C1C[C@H](c2ccccc2F)c2cc3c(cc2O1)OCO3 ZINC000218276521 284846470 /nfs/dbraw/zinc/84/64/70/284846470.db2.gz YFPHRQPXMWPMSN-SNVBAGLBSA-N 0 0 286.258 2.995 50 70 CFIARN O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000216974441 382785307 /nfs/dbraw/zinc/78/53/07/382785307.db2.gz LHIYHIVXWHZFFA-YABSGUDNSA-N 0 0 269.747 2.682 50 70 CFIARN O=C(NCC1(c2ccccc2)CCCC1)c1cnc[nH]1 ZINC000217809530 382788017 /nfs/dbraw/zinc/78/80/17/382788017.db2.gz WXCZYHVSBFLLKP-UHFFFAOYSA-N 0 0 269.348 2.652 50 70 CFIARN CC(C)(C)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217806991 382788068 /nfs/dbraw/zinc/78/80/68/382788068.db2.gz CZVRPHDBLKLVSV-LLVKDONJSA-N 0 0 291.395 2.774 50 70 CFIARN Cc1ccccc1C(=O)Nc1ccn2nccc2c1 ZINC000217952734 382788419 /nfs/dbraw/zinc/78/84/19/382788419.db2.gz ZFWXJNZTCPYEAX-UHFFFAOYSA-N 0 0 251.289 2.895 50 70 CFIARN Cn1cccc1[C@H](O)CCNC(=O)c1ccc(Cl)s1 ZINC000217933740 382788471 /nfs/dbraw/zinc/78/84/71/382788471.db2.gz SRVCMHVWBLYUHD-SNVBAGLBSA-N 0 0 298.795 2.594 50 70 CFIARN CC[C@@H](NC(=O)Cc1ccc(F)cc1Cl)C1CC(O)C1 ZINC000218009751 382788820 /nfs/dbraw/zinc/78/88/20/382788820.db2.gz MVXUYBBFRGDCGG-MMWSSPAHSA-N 0 0 299.773 2.687 50 70 CFIARN Cc1n[nH]cc1CN(C)C(=O)c1scc2c1CCCC2 ZINC000218197090 382789320 /nfs/dbraw/zinc/78/93/20/382789320.db2.gz OIWBCZAOUIFYSC-UHFFFAOYSA-N 0 0 289.404 2.931 50 70 CFIARN CC(C)c1nc(CCN(C)C(=O)[C@H]2CC=CCC2)no1 ZINC000218308675 382789903 /nfs/dbraw/zinc/78/99/03/382789903.db2.gz BPUVJKFDSPOQOY-LBPRGKRZSA-N 0 0 277.368 2.550 50 70 CFIARN O=C1C[C@@H](c2ccccc2)c2cc3c(cc2O1)OCO3 ZINC000217757897 256786255 /nfs/dbraw/zinc/78/62/55/256786255.db2.gz XQTUSQJDXAPXCE-NSHDSACASA-N 0 0 268.268 2.856 50 70 CFIARN O=C(c1ccno1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000218642164 393758592 /nfs/dbraw/zinc/75/85/92/393758592.db2.gz IBLHOFDASPBBQS-UHFFFAOYSA-N 0 0 297.314 2.836 50 70 CFIARN CC(=O)c1ccc2c(c1O)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000217822274 275806528 /nfs/dbraw/zinc/80/65/28/275806528.db2.gz KSQOWFTZUYWODM-ZDUSSCGKSA-N 0 0 298.294 2.741 50 70 CFIARN O=C1C[C@H](c2ccsc2)c2cc3c(cc2O1)OCO3 ZINC000217887761 280274398 /nfs/dbraw/zinc/27/43/98/280274398.db2.gz JRPJKZQGYBVLEQ-SECBINFHSA-N 0 0 274.297 2.918 50 70 CFIARN C[C@H](NC(=O)c1cc[nH]c1)c1ccccc1-n1cccn1 ZINC000159704069 322326932 /nfs/dbraw/zinc/32/69/32/322326932.db2.gz APLKTRWRPRTRSC-LBPRGKRZSA-N 0 0 280.331 2.691 50 70 CFIARN COc1ccccc1CNn1cc(-c2ccccc2)nc1N ZINC000216961947 534094153 /nfs/dbraw/zinc/09/41/53/534094153.db2.gz GNWKPJQMHBJUNI-UHFFFAOYSA-N 0 0 294.358 2.885 50 70 CFIARN O=C(NCc1ncc[nH]1)C1(c2cccs2)CCCCC1 ZINC000159862776 348015001 /nfs/dbraw/zinc/01/50/01/348015001.db2.gz RNXMPOSZLKYHNT-UHFFFAOYSA-N 0 0 289.404 2.990 50 70 CFIARN CCONC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000161493746 348024820 /nfs/dbraw/zinc/02/48/20/348024820.db2.gz HLLQJAYYEIMKFD-CYBMUJFWSA-N 0 0 260.293 2.620 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1F ZINC000217527167 189710461 /nfs/dbraw/zinc/71/04/61/189710461.db2.gz YXYZTBJTNJBWDK-LBPRGKRZSA-N 0 0 297.326 2.880 50 70 CFIARN O=C(CC1CCCC1)N[C@@H]1COCC[C@@H]1OCC1CCC1 ZINC000218143937 189713608 /nfs/dbraw/zinc/71/36/08/189713608.db2.gz GVJWSOXUVQLQGQ-CVEARBPZSA-N 0 0 295.423 2.657 50 70 CFIARN Cc1noc(-c2ccsc2NC(=O)c2ccco2)n1 ZINC000217649199 382787221 /nfs/dbraw/zinc/78/72/21/382787221.db2.gz HRTAUQFGWLAMKO-UHFFFAOYSA-N 0 0 275.289 2.952 50 70 CFIARN C[C@@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2o1 ZINC000217993087 382788400 /nfs/dbraw/zinc/78/84/00/382788400.db2.gz PXHZLQOTXPRBCL-MRXNPFEDSA-N 0 0 285.299 2.663 50 70 CFIARN CCOC(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1 ZINC000217910157 382788481 /nfs/dbraw/zinc/78/84/81/382788481.db2.gz XBTFBFHASVYXLS-UHFFFAOYSA-N 0 0 291.395 2.810 50 70 CFIARN O=C1C[C@@H](c2ccccc2F)c2cc3c(cc2O1)OCO3 ZINC000218276462 382790012 /nfs/dbraw/zinc/79/00/12/382790012.db2.gz YFPHRQPXMWPMSN-JTQLQIEISA-N 0 0 286.258 2.995 50 70 CFIARN CCCO[C@@H]1CCCN(C(=O)c2ccnc(C(C)C)n2)C1 ZINC000218294340 382790043 /nfs/dbraw/zinc/79/00/43/382790043.db2.gz WHKJWSUNXIIEOW-CYBMUJFWSA-N 0 0 291.395 2.631 50 70 CFIARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000218395853 382790346 /nfs/dbraw/zinc/79/03/46/382790346.db2.gz SNBIBBGEZYWDHX-AGIUHOORSA-N 0 0 299.292 2.542 50 70 CFIARN Cc1cccc(C(=O)N[C@H](c2nccn2C)C(C)C)c1O ZINC000218465131 382790361 /nfs/dbraw/zinc/79/03/61/382790361.db2.gz RHABGNALFAGAOC-ZDUSSCGKSA-N 0 0 287.363 2.561 50 70 CFIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccco1)CC(=O)O2 ZINC000217832653 393757775 /nfs/dbraw/zinc/75/77/75/393757775.db2.gz STEHKNKTOFLZBV-JTQLQIEISA-N 0 0 272.256 2.629 50 70 CFIARN CC(C)[C@H]1CC(=O)Oc2c3ccccc3oc(=O)c21 ZINC000217736005 276025799 /nfs/dbraw/zinc/02/57/99/276025799.db2.gz SPWKAZSXOFIZFF-SNVBAGLBSA-N 0 0 258.273 2.842 50 70 CFIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1 ZINC000217640775 348164891 /nfs/dbraw/zinc/16/48/91/348164891.db2.gz SYCASQHTZDKNEW-NNQSOWQGSA-N 0 0 291.416 2.950 50 70 CFIARN CCc1cc(=O)n(CCCOc2c(C)cccc2C)cn1 ZINC000160460592 188474840 /nfs/dbraw/zinc/47/48/40/188474840.db2.gz ZBUXTGGRSFBCDU-UHFFFAOYSA-N 0 0 286.375 2.892 50 70 CFIARN O=C(c1ncccc1O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000217960421 296305611 /nfs/dbraw/zinc/30/56/11/296305611.db2.gz ULPSSKOMXCFIJU-CYBMUJFWSA-N 0 0 286.306 2.904 50 70 CFIARN CC(C)(C)C(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653275 382787391 /nfs/dbraw/zinc/78/73/91/382787391.db2.gz NFCAEYWRSBMZMC-AWEZNQCLSA-N 0 0 298.390 2.765 50 70 CFIARN O=C(CCc1ccccc1)Nc1ccn2nccc2c1 ZINC000217955259 382788346 /nfs/dbraw/zinc/78/83/46/382788346.db2.gz LSOSGGHPIMIJCZ-UHFFFAOYSA-N 0 0 265.316 2.906 50 70 CFIARN Cc1cc(CC(=O)N[C@H](C)c2nc3cc(C)ccc3[nH]2)on1 ZINC000217884682 382788434 /nfs/dbraw/zinc/78/84/34/382788434.db2.gz UFHYJKAZQPMOHU-LLVKDONJSA-N 0 0 298.346 2.588 50 70 CFIARN CC(C)(C)CC(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218203801 382789385 /nfs/dbraw/zinc/78/93/85/382789385.db2.gz IXSIFRBIEDHQRR-UHFFFAOYSA-N 0 0 279.384 2.684 50 70 CFIARN O=C(Nc1cccs1)N[C@H]1CCN(c2ccccn2)C1 ZINC000218100612 382789602 /nfs/dbraw/zinc/78/96/02/382789602.db2.gz VCLZRCJILZBHTR-NSHDSACASA-N 0 0 288.376 2.544 50 70 CFIARN O=C(NC[C@@H]1CCCCO1)c1ccc(N2CCCC2)cc1 ZINC000217185997 393756868 /nfs/dbraw/zinc/75/68/68/393756868.db2.gz UCAHHTRKTHYSBT-INIZCTEOSA-N 0 0 288.391 2.586 50 70 CFIARN Cc1nnc(NCC2(CO)CCCC2)c2ccccc12 ZINC000160195146 328449212 /nfs/dbraw/zinc/44/92/12/328449212.db2.gz DWLPNXJSLGFSQV-UHFFFAOYSA-N 0 0 271.364 2.903 50 70 CFIARN CCOc1ncccc1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000217070502 189708482 /nfs/dbraw/zinc/70/84/82/189708482.db2.gz JHICOGRMNMPGIJ-HNNXBMFYSA-N 0 0 297.358 2.853 50 70 CFIARN O=C(Cc1noc2ccccc21)NCC1(C2CC2)CC1 ZINC000159821824 378732223 /nfs/dbraw/zinc/73/22/23/378732223.db2.gz SLODVJRPKFDPPX-UHFFFAOYSA-N 0 0 270.332 2.677 50 70 CFIARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(F)cc1Cl)C2 ZINC000217016992 382785596 /nfs/dbraw/zinc/78/55/96/382785596.db2.gz OAPKPHKPSQNZMG-MSRIBSCDSA-N 0 0 297.757 2.976 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)NCc1ccccc1 ZINC000217544793 382786772 /nfs/dbraw/zinc/78/67/72/382786772.db2.gz FVXIVXSAMKUGLZ-AWEZNQCLSA-N 0 0 290.388 2.671 50 70 CFIARN C[C@](O)(CNC(=O)CC1CC1)c1cc2ccccc2o1 ZINC000217995022 382788294 /nfs/dbraw/zinc/78/82/94/382788294.db2.gz BKDYSIZWRPUKBS-INIZCTEOSA-N 0 0 273.332 2.557 50 70 CFIARN CCCn1ncc(CN2CC[NH+](C3CCCC3)CC2)c1C ZINC000218041251 382788827 /nfs/dbraw/zinc/78/88/27/382788827.db2.gz ZUTIWYTZFQIUCN-UHFFFAOYSA-N 0 0 290.455 2.662 50 70 CFIARN Cc1cc(C)c(CNC(=O)CSc2ccncc2)cn1 ZINC000218377248 382790062 /nfs/dbraw/zinc/79/00/62/382790062.db2.gz JQJBTGQTOWLWSL-UHFFFAOYSA-N 0 0 287.388 2.502 50 70 CFIARN CC(C)c1nc(CN(C)C(=O)Cc2cccnc2)cs1 ZINC000218451372 382790276 /nfs/dbraw/zinc/79/02/76/382790276.db2.gz LCJVMTGHFZMFIC-UHFFFAOYSA-N 0 0 289.404 2.863 50 70 CFIARN COc1ccc(F)cc1C(=O)NCc1cnc(C)cc1C ZINC000218737229 382790725 /nfs/dbraw/zinc/79/07/25/382790725.db2.gz BQYSLVKAQWMLPX-UHFFFAOYSA-N 0 0 288.322 2.776 50 70 CFIARN COc1ccc(C)cc1[C@@H](C)OC(=O)c1cnn(C)c1 ZINC000160248976 348017077 /nfs/dbraw/zinc/01/70/77/348017077.db2.gz VUSAWFNAKSPOCU-LLVKDONJSA-N 0 0 274.320 2.655 50 70 CFIARN Clc1ccc([SiH](c2ccccc2)c2ccccc2)cc1 ZINC000169817131 540249979 /nfs/dbraw/zinc/24/99/79/540249979.db2.gz MHSHAEXCPBUGDM-UHFFFAOYSA-N 0 0 294.857 2.589 50 70 CFIARN Cc1nnc(CCNC(=O)c2cc3ccccc3o2)s1 ZINC000217138740 189708801 /nfs/dbraw/zinc/70/88/01/189708801.db2.gz XWKLBIIAFPNDPT-UHFFFAOYSA-N 0 0 287.344 2.565 50 70 CFIARN Cn1cccc1[C@H](O)CCNC(=O)c1cccc(Cl)c1 ZINC000217933183 189712967 /nfs/dbraw/zinc/71/29/67/189712967.db2.gz ABZAACPZCQVKIO-CQSZACIVSA-N 0 0 292.766 2.532 50 70 CFIARN CNc1nc(C(=O)N2CCC[C@H]2c2ccccn2)cs1 ZINC000216927818 382785332 /nfs/dbraw/zinc/78/53/32/382785332.db2.gz KBQVYASJPQRKKV-LBPRGKRZSA-N 0 0 288.376 2.557 50 70 CFIARN CNC(=O)c1cc(F)ccc1OCc1ccccc1 ZINC000217046110 382785588 /nfs/dbraw/zinc/78/55/88/382785588.db2.gz PVJWFXTWMPZQMM-UHFFFAOYSA-N 0 0 259.280 2.764 50 70 CFIARN CCSCCC(=O)N1CCN(C)[C@H](c2ccccc2)C1 ZINC000218241411 382790018 /nfs/dbraw/zinc/79/00/18/382790018.db2.gz QTQOCSKOTADNHX-HNNXBMFYSA-N 0 0 292.448 2.645 50 70 CFIARN CC(C)[C@H](NC(=O)Cc1ccsc1)c1nccn1C ZINC000218655425 382790581 /nfs/dbraw/zinc/79/05/81/382790581.db2.gz TXBMJHPFZZCALI-ZDUSSCGKSA-N 0 0 277.393 2.538 50 70 CFIARN Cc1nnc(CCNC(=O)c2ccc(Cl)s2)s1 ZINC000217055919 570307662 /nfs/dbraw/zinc/30/76/62/570307662.db2.gz GMZFEBWDXNYSCR-UHFFFAOYSA-N 0 0 287.797 2.534 50 70 CFIARN CC[C@@H](CNC(=O)NO[C@@H]1CCCCO1)c1ccccc1 ZINC000161371272 188523675 /nfs/dbraw/zinc/52/36/75/188523675.db2.gz KRPQHKRWOUUOAB-DZGCQCFKSA-N 0 0 292.379 2.938 50 70 CFIARN C[C@H]1CCN(c2ccnc3c(F)cc(F)cc23)C[C@@H]1O ZINC000160261666 378758858 /nfs/dbraw/zinc/75/88/58/378758858.db2.gz DDCJDGWNXSHFEN-XPTSAGLGSA-N 0 0 278.302 2.720 50 70 CFIARN COCCCCCC(=O)N[C@H](C)c1nc(C)cs1 ZINC000217015616 382785502 /nfs/dbraw/zinc/78/55/02/382785502.db2.gz CYCBRAUWRYVGRQ-LLVKDONJSA-N 0 0 270.398 2.836 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)[C@H]1CC=CCC1 ZINC000217533722 382786936 /nfs/dbraw/zinc/78/69/36/382786936.db2.gz HOESVCJJUDOJMW-WCQYABFASA-N 0 0 265.378 2.644 50 70 CFIARN COc1ccc(Cn2nc(C)nc2CC(F)(F)F)cc1 ZINC000217507800 382787017 /nfs/dbraw/zinc/78/70/17/382787017.db2.gz OCKXPAZNGOJAGC-UHFFFAOYSA-N 0 0 285.269 2.748 50 70 CFIARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cc1ccsc1 ZINC000218066507 382788928 /nfs/dbraw/zinc/78/89/28/382788928.db2.gz NZAXLBSZPOGPNI-UHFFFAOYSA-N 0 0 291.420 2.970 50 70 CFIARN Cc1ccc([C@@H](C)NC(=O)c2cccc(N(C)C)c2)cn1 ZINC000218191531 382789268 /nfs/dbraw/zinc/78/92/68/382789268.db2.gz GQMVWWGWBCDTPU-CYBMUJFWSA-N 0 0 283.375 2.947 50 70 CFIARN O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CC=CCC1 ZINC000218403600 382790351 /nfs/dbraw/zinc/79/03/51/382790351.db2.gz XVNASWWXLRMPNM-AWEZNQCLSA-N 0 0 271.360 2.984 50 70 CFIARN CC(C)[C@@H](NC(=O)Cc1ccsc1)c1nccn1C ZINC000218655356 382790529 /nfs/dbraw/zinc/79/05/29/382790529.db2.gz TXBMJHPFZZCALI-CYBMUJFWSA-N 0 0 277.393 2.538 50 70 CFIARN Cc1noc(C)c1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC000218667466 382790648 /nfs/dbraw/zinc/79/06/48/382790648.db2.gz CLVRYGUQPXBDCK-OAHLLOKOSA-N 0 0 284.359 2.713 50 70 CFIARN O=C1C[C@H](c2cccc(O)c2)c2cc3c(cc2O1)OCO3 ZINC000217763031 393757847 /nfs/dbraw/zinc/75/78/47/393757847.db2.gz IIBOPGBJTUJXTD-LLVKDONJSA-N 0 0 284.267 2.562 50 70 CFIARN CCOc1ncccc1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000217070472 189708781 /nfs/dbraw/zinc/70/87/81/189708781.db2.gz JHICOGRMNMPGIJ-OAHLLOKOSA-N 0 0 297.358 2.853 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)c1c(F)cccc1F ZINC000217527263 189710327 /nfs/dbraw/zinc/71/03/27/189710327.db2.gz YXYZTBJTNJBWDK-GFCCVEGCSA-N 0 0 297.326 2.880 50 70 CFIARN O=C(c1ccoc1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217604008 189710648 /nfs/dbraw/zinc/71/06/48/189710648.db2.gz QQSLJZVEDSDLBZ-KRWDZBQOSA-N 0 0 297.310 2.582 50 70 CFIARN COc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000160540489 378781420 /nfs/dbraw/zinc/78/14/20/378781420.db2.gz BGIUNZIIMMATQA-KGLIPLIRSA-N 0 0 285.347 2.817 50 70 CFIARN Cc1c[nH]c(C(=O)N(C)Cc2cccc3cccnc32)n1 ZINC000217404485 382786537 /nfs/dbraw/zinc/78/65/37/382786537.db2.gz PLHFKUVVIRRKNW-UHFFFAOYSA-N 0 0 280.331 2.539 50 70 CFIARN CN(Cc1cnccn1)C(=O)c1cc(F)c(F)cc1Cl ZINC000217422736 382786613 /nfs/dbraw/zinc/78/66/13/382786613.db2.gz KGIOCKOSSXAWBU-UHFFFAOYSA-N 0 0 297.692 2.680 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)[C@@H]1CC=CCC1 ZINC000217533943 382786674 /nfs/dbraw/zinc/78/66/74/382786674.db2.gz HOESVCJJUDOJMW-YPMHNXCESA-N 0 0 265.378 2.644 50 70 CFIARN O=C(NCC[C@H](O)c1ccsc1)c1ccsc1 ZINC000217524893 382786921 /nfs/dbraw/zinc/78/69/21/382786921.db2.gz DKNIGTJXWFWPFY-NSHDSACASA-N 0 0 267.375 2.663 50 70 CFIARN CC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217826556 382787978 /nfs/dbraw/zinc/78/79/78/382787978.db2.gz SAMDNHSWSVWMPO-AWEZNQCLSA-N 0 0 299.374 2.846 50 70 CFIARN CC[C@@H](NC(=O)c1ccsc1)c1cn2cccnc2n1 ZINC000217954718 382788306 /nfs/dbraw/zinc/78/83/06/382788306.db2.gz SACKVWMZEPCMSS-LLVKDONJSA-N 0 0 286.360 2.672 50 70 CFIARN O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccccc1 ZINC000217978756 382788352 /nfs/dbraw/zinc/78/83/52/382788352.db2.gz XKGCNTUUUPFXIU-QGZVFWFLSA-N 0 0 296.370 2.979 50 70 CFIARN C[C@@](O)(CNC(=O)CC1CC1)c1cc2ccccc2o1 ZINC000217994935 382788365 /nfs/dbraw/zinc/78/83/65/382788365.db2.gz BKDYSIZWRPUKBS-MRXNPFEDSA-N 0 0 273.332 2.557 50 70 CFIARN Cc1sc(Cl)nc1C(=O)NCCCOC(C)C ZINC000218350638 382789770 /nfs/dbraw/zinc/78/97/70/382789770.db2.gz WZMQXDGMONGNHV-UHFFFAOYSA-N 0 0 276.789 2.650 50 70 CFIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccsc1 ZINC000218221897 382789773 /nfs/dbraw/zinc/78/97/73/382789773.db2.gz QZJSMKHGZJHTHD-UHFFFAOYSA-N 0 0 291.376 2.624 50 70 CFIARN COc1ccc(C)nc1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000218722831 382790630 /nfs/dbraw/zinc/79/06/30/382790630.db2.gz HEPDORCRSROEDA-CQSZACIVSA-N 0 0 296.370 2.994 50 70 CFIARN Cc1nc[nH]c1CNC(=O)c1cc2ccccc2s1 ZINC000218777039 382790679 /nfs/dbraw/zinc/79/06/79/382790679.db2.gz YPEFZGRIAJEMLU-UHFFFAOYSA-N 0 0 271.345 2.863 50 70 CFIARN Cc1ccc([C@@H](C)NC(=O)c2cccc(O)c2)cn1 ZINC000218677025 382790707 /nfs/dbraw/zinc/79/07/07/382790707.db2.gz KDQRXAMZPFGSGI-LLVKDONJSA-N 0 0 256.305 2.587 50 70 CFIARN O=C(NC[C@H]1CCCCO1)c1ccc(N2CCCC2)cc1 ZINC000217186008 393756623 /nfs/dbraw/zinc/75/66/23/393756623.db2.gz UCAHHTRKTHYSBT-MRXNPFEDSA-N 0 0 288.391 2.586 50 70 CFIARN C[C@@H](c1ccon1)N(C)C(=O)CCc1cccc(F)c1 ZINC000217038796 189708149 /nfs/dbraw/zinc/70/81/49/189708149.db2.gz AQOMIGMBVWARQN-NSHDSACASA-N 0 0 276.311 2.966 50 70 CFIARN COc1ccc(CCC(=O)Nc2ccn3nccc3c2)cc1 ZINC000217955796 189712789 /nfs/dbraw/zinc/71/27/89/189712789.db2.gz OBPNIDATJPCLPE-UHFFFAOYSA-N 0 0 295.342 2.914 50 70 CFIARN CN(C(=O)[C@H]1CC=CCC1)c1ccc2c(c1)OCO2 ZINC000160141663 378749801 /nfs/dbraw/zinc/74/98/01/378749801.db2.gz QDROMXUZGFWPQH-NSHDSACASA-N 0 0 259.305 2.734 50 70 CFIARN COc1ccc(NC(=O)N(C)CC2CCOCC2)c(C)c1 ZINC000160372229 378766422 /nfs/dbraw/zinc/76/64/22/378766422.db2.gz LNLCFTCMVOGLMF-UHFFFAOYSA-N 0 0 292.379 2.894 50 70 CFIARN O=C(NO[C@@H]1CCCCO1)Nc1c(F)cc(F)cc1F ZINC000161314516 378839096 /nfs/dbraw/zinc/83/90/96/378839096.db2.gz AZMJTSFTFDYDSQ-SNVBAGLBSA-N 0 0 290.241 2.684 50 70 CFIARN Cc1cc(C(=O)NCCSC2CCOCC2)c(C)o1 ZINC000217699701 382787165 /nfs/dbraw/zinc/78/71/65/382787165.db2.gz GQWQRJIQWCJMHQ-UHFFFAOYSA-N 0 0 283.393 2.538 50 70 CFIARN CSc1ccc(CC(=O)N2CC[C@@H](C(C)(C)O)C2)cc1 ZINC000217728289 382787967 /nfs/dbraw/zinc/78/79/67/382787967.db2.gz MDSOHJIHEWUAFG-CYBMUJFWSA-N 0 0 293.432 2.570 50 70 CFIARN C[C@](O)(CNC(=O)C1CCCC1)c1cc2ccccc2o1 ZINC000217983038 382788451 /nfs/dbraw/zinc/78/84/51/382788451.db2.gz BQYDXGCDPPXVNA-KRWDZBQOSA-N 0 0 287.359 2.947 50 70 CFIARN COc1ccc(F)cc1C(=O)N[C@H](C)Cc1cccnc1 ZINC000217897496 382788496 /nfs/dbraw/zinc/78/84/96/382788496.db2.gz IUFUVNBVKLZPQA-LLVKDONJSA-N 0 0 288.322 2.590 50 70 CFIARN O=C(CCCCc1ccccc1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000218221563 382789359 /nfs/dbraw/zinc/78/93/59/382789359.db2.gz BXWSVBSJTREFNG-PMPSAXMXSA-N 0 0 273.376 2.693 50 70 CFIARN CCc1ccc(CN(C)C(=O)c2ccc(OC)o2)nc1 ZINC000218180815 382789360 /nfs/dbraw/zinc/78/93/60/382789360.db2.gz BJQFUVMZLAVMNK-UHFFFAOYSA-N 0 0 274.320 2.518 50 70 CFIARN COc1cccc(CCC(=O)N(C)C2CCSCC2)c1 ZINC000218227516 382789834 /nfs/dbraw/zinc/78/98/34/382789834.db2.gz BDKUQHDGBBIEMP-UHFFFAOYSA-N 0 0 293.432 2.982 50 70 CFIARN Cc1c[nH]c([C@H](C)NC(=O)c2cc3ccccc3n2C)n1 ZINC000218386584 382790376 /nfs/dbraw/zinc/79/03/76/382790376.db2.gz GLYZRHUSIGZLJH-NSHDSACASA-N 0 0 282.347 2.701 50 70 CFIARN O=C1C[C@@H](c2cccc(O)c2)c2cc3c(cc2O1)OCO3 ZINC000217762954 393757746 /nfs/dbraw/zinc/75/77/46/393757746.db2.gz IIBOPGBJTUJXTD-NSHDSACASA-N 0 0 284.267 2.562 50 70 CFIARN Cc1ccc(CNC(=O)[C@H]2CCC[C@@H](O)C2)c2cccnc12 ZINC000218613240 393758548 /nfs/dbraw/zinc/75/85/48/393758548.db2.gz GDRDAMZHMHMYPL-DZGCQCFKSA-N 0 0 298.386 2.711 50 70 CFIARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(C)=O ZINC000217756787 327925590 /nfs/dbraw/zinc/92/55/90/327925590.db2.gz VAYAJAYMYDQCII-CQSZACIVSA-N 0 0 258.321 2.690 50 70 CFIARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCc1cccc(O)c1 ZINC000217063113 570307547 /nfs/dbraw/zinc/30/75/47/570307547.db2.gz FIBHIZSMKDQHOK-JTQLQIEISA-N 0 0 287.363 2.542 50 70 CFIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC000217637247 348165388 /nfs/dbraw/zinc/16/53/88/348165388.db2.gz TXWSBHPTVCQQMT-ZACCUICWSA-N 0 0 251.351 2.778 50 70 CFIARN CC[C@@H](NC(=O)c1ccc(Cl)cc1O)c1ccnn1C ZINC000217999371 539978172 /nfs/dbraw/zinc/97/81/72/539978172.db2.gz RSEGHVNXZPZAJF-LLVKDONJSA-N 0 0 293.754 2.660 50 70 CFIARN COc1cccc(C(=O)NCC[C@@H](O)c2ccsc2)c1 ZINC000217526271 189710160 /nfs/dbraw/zinc/71/01/60/189710160.db2.gz DZSZHNFHMJACBA-CQSZACIVSA-N 0 0 291.372 2.610 50 70 CFIARN CN(C(=O)[C@@H]1CC=CCC1)c1ccc2c(c1)OCO2 ZINC000160141802 378752600 /nfs/dbraw/zinc/75/26/00/378752600.db2.gz QDROMXUZGFWPQH-LLVKDONJSA-N 0 0 259.305 2.734 50 70 CFIARN Cc1cc(C[C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)[nH]n1 ZINC000161258373 378834201 /nfs/dbraw/zinc/83/42/01/378834201.db2.gz MXGXDYDYQWAFMQ-GFCCVEGCSA-N 0 0 297.402 2.958 50 70 CFIARN CC(C)c1cc(C(=O)NCC2(C)COC2)cs1 ZINC000216971748 382785160 /nfs/dbraw/zinc/78/51/60/382785160.db2.gz PWVLRRMOTWFQMX-UHFFFAOYSA-N 0 0 253.367 2.638 50 70 CFIARN CNc1nc(C(=O)N2CCC[C@@H]2c2ccccn2)cs1 ZINC000216927796 382785345 /nfs/dbraw/zinc/78/53/45/382785345.db2.gz KBQVYASJPQRKKV-GFCCVEGCSA-N 0 0 288.376 2.557 50 70 CFIARN C[C@H](c1ccon1)N(C)C(=O)CCc1cccc(F)c1 ZINC000217038836 382785583 /nfs/dbraw/zinc/78/55/83/382785583.db2.gz AQOMIGMBVWARQN-LLVKDONJSA-N 0 0 276.311 2.966 50 70 CFIARN O=C(CCc1ccccc1)NCCSC1CCOCC1 ZINC000217700035 382787195 /nfs/dbraw/zinc/78/71/95/382787195.db2.gz QIYMLWBATRWTKU-UHFFFAOYSA-N 0 0 293.432 2.648 50 70 CFIARN Cc1nonc1CC(=O)N1CCC[C@H](c2cccc(C)c2)C1 ZINC000217886668 382788338 /nfs/dbraw/zinc/78/83/38/382788338.db2.gz HLJYKSAXUVBNJH-HNNXBMFYSA-N 0 0 299.374 2.635 50 70 CFIARN COC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000218144859 382789482 /nfs/dbraw/zinc/78/94/82/382789482.db2.gz MUZNEYLJXMMKCC-LBPRGKRZSA-N 0 0 293.794 2.867 50 70 CFIARN CC(C)(C)OC(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218225565 382789866 /nfs/dbraw/zinc/78/98/66/382789866.db2.gz KLNHEKQKWYOGKN-UHFFFAOYSA-N 0 0 281.356 2.657 50 70 CFIARN O=C(C[C@H]1C=CCC1)NCc1nc2ccccc2o1 ZINC000218308561 382789876 /nfs/dbraw/zinc/78/98/76/382789876.db2.gz KFPIINCGFQOUGN-NSHDSACASA-N 0 0 256.305 2.800 50 70 CFIARN CCc1ccc(CNC(=O)Cc2ccc(N(C)C)cc2)nc1 ZINC000218754300 382790658 /nfs/dbraw/zinc/79/06/58/382790658.db2.gz NPOVFTCICXRROY-UHFFFAOYSA-N 0 0 297.402 2.569 50 70 CFIARN O=C(CCC(F)(F)F)NCc1ccc2c(c1)CCCO2 ZINC000218736135 382790710 /nfs/dbraw/zinc/79/07/10/382790710.db2.gz VVYCAHCHFNHLRR-UHFFFAOYSA-N 0 0 287.281 2.970 50 70 CFIARN COC[C@H]1CCN(C(=O)CCCc2ccc(OC)cc2)C1 ZINC000218595056 393758570 /nfs/dbraw/zinc/75/85/70/393758570.db2.gz QOGNPQVBFRQUDP-HNNXBMFYSA-N 0 0 291.391 2.513 50 70 CFIARN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Cl ZINC000100638242 264883798 /nfs/dbraw/zinc/88/37/98/264883798.db2.gz MITFCFJALKLPLC-UHFFFAOYSA-N 0 0 269.631 2.505 50 70 CFIARN O=C(c1ccncc1F)N1CCCC[C@@H]1c1ccccn1 ZINC000216974668 304583412 /nfs/dbraw/zinc/58/34/12/304583412.db2.gz SCZYARRHMOGQFK-OAHLLOKOSA-N 0 0 285.322 2.983 50 70 CFIARN CC(C)CCn1ccc(NC(=O)NCc2cccnc2)n1 ZINC000159915547 519703339 /nfs/dbraw/zinc/70/33/39/519703339.db2.gz CUSQFJJDOLSKII-UHFFFAOYSA-N 0 0 287.367 2.646 50 70 CFIARN O=C(CCCCc1ccccc1)N1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217400388 189709583 /nfs/dbraw/zinc/70/95/83/189709583.db2.gz GDQYOFJCZOXNKF-VQFNDLOPSA-N 0 0 287.403 2.629 50 70 CFIARN Cc1cc(CC(=O)N2CCCC[C@H]2c2ccccn2)on1 ZINC000217021748 382785508 /nfs/dbraw/zinc/78/55/08/382785508.db2.gz IIMDNYCQPJMMHT-HNNXBMFYSA-N 0 0 285.347 2.674 50 70 CFIARN COc1ccccc1NC(=O)Nc1ccn2nccc2c1 ZINC000217958774 382788441 /nfs/dbraw/zinc/78/84/41/382788441.db2.gz TWKLVZOOJLEDFD-UHFFFAOYSA-N 0 0 282.303 2.987 50 70 CFIARN Cc1ccc([C@@H](C)NC(=O)Cc2ccsc2)nc1 ZINC000218073587 382788952 /nfs/dbraw/zinc/78/89/52/382788952.db2.gz NVGSGVPITDYAJO-LLVKDONJSA-N 0 0 260.362 2.871 50 70 CFIARN CCCn1ncnc1[C@H](C)NC(=O)c1ccc(C)s1 ZINC000218244271 382789745 /nfs/dbraw/zinc/78/97/45/382789745.db2.gz COIJCWKWWFLCDY-JTQLQIEISA-N 0 0 278.381 2.549 50 70 CFIARN CC(C)(C)n1ccc(C(=O)NCCc2ccncc2)c1 ZINC000218459883 382790274 /nfs/dbraw/zinc/79/02/74/382790274.db2.gz LYGVVEHHZMCYOI-UHFFFAOYSA-N 0 0 271.364 2.611 50 70 CFIARN Cc1cccc(C(=O)N[C@@H](c2nccn2C)C(C)C)c1O ZINC000218465064 382790299 /nfs/dbraw/zinc/79/02/99/382790299.db2.gz RHABGNALFAGAOC-CYBMUJFWSA-N 0 0 287.363 2.561 50 70 CFIARN O=C(NCc1ccccn1)c1ccc(F)c(-n2cccc2)c1 ZINC000218460045 382790326 /nfs/dbraw/zinc/79/03/26/382790326.db2.gz INODBHSIAOGVTF-UHFFFAOYSA-N 0 0 295.317 2.941 50 70 CFIARN CCc1ccc(CN(C)C(=O)c2ncc(F)cc2F)nc1 ZINC000218716075 382790655 /nfs/dbraw/zinc/79/06/55/382790655.db2.gz HLXUODPKLUDTLR-UHFFFAOYSA-N 0 0 291.301 2.589 50 70 CFIARN CCCOc1ccccc1C(=O)NC[C@@H]1CCCOC1 ZINC000218532478 393758429 /nfs/dbraw/zinc/75/84/29/393758429.db2.gz MRJHTCHMOYZYEE-ZDUSSCGKSA-N 0 0 277.364 2.632 50 70 CFIARN Cc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)o1 ZINC000217667191 280994896 /nfs/dbraw/zinc/99/48/96/280994896.db2.gz SBOLRJVFKTXTHM-JTQLQIEISA-N 0 0 272.256 2.758 50 70 CFIARN CCOc1ccccc1N(C)Cc1noc(C2CC2)n1 ZINC000159389336 322322471 /nfs/dbraw/zinc/32/24/71/322322471.db2.gz SIIWZFZBWMAKQB-UHFFFAOYSA-N 0 0 273.336 2.982 50 70 CFIARN CCc1ncnc(N2CCC[C@@H](n3cc(C)cn3)C2)c1F ZINC000159522418 136391939 /nfs/dbraw/zinc/39/19/39/136391939.db2.gz MXTVPWMBWBBYAZ-GFCCVEGCSA-N 0 0 289.358 2.525 50 70 CFIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccco1 ZINC000217885622 189711872 /nfs/dbraw/zinc/71/18/72/189711872.db2.gz GLFPSBBLDGCQIP-UHFFFAOYSA-N 0 0 287.344 2.635 50 70 CFIARN Cc1nonc1CC(=O)N1CCC[C@@H](c2cccc(C)c2)C1 ZINC000217886568 189711962 /nfs/dbraw/zinc/71/19/62/189711962.db2.gz HLJYKSAXUVBNJH-OAHLLOKOSA-N 0 0 299.374 2.635 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)NCc1ccccc1 ZINC000217544871 382787010 /nfs/dbraw/zinc/78/70/10/382787010.db2.gz FVXIVXSAMKUGLZ-CQSZACIVSA-N 0 0 290.388 2.671 50 70 CFIARN O=C(NCCSC1CCOCC1)NC1CCCCC1 ZINC000217708197 382787219 /nfs/dbraw/zinc/78/72/19/382787219.db2.gz NHXZKKDCFBZNDL-UHFFFAOYSA-N 0 0 286.441 2.531 50 70 CFIARN O=C(Cc1ccsc1)Nc1ccn2nccc2c1 ZINC000217957773 382788505 /nfs/dbraw/zinc/78/85/05/382788505.db2.gz VCRWUHLNIJNJLV-UHFFFAOYSA-N 0 0 257.318 2.577 50 70 CFIARN Cc1nc(C)c(C)c(C[C@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000218148588 382789392 /nfs/dbraw/zinc/78/93/92/382789392.db2.gz ZICGTSLTWIHULY-HNNXBMFYSA-N 0 0 295.386 2.997 50 70 CFIARN CCSCCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC000218241350 382790057 /nfs/dbraw/zinc/79/00/57/382790057.db2.gz QTQOCSKOTADNHX-OAHLLOKOSA-N 0 0 292.448 2.645 50 70 CFIARN C[C@@H](Cc1cccnc1)NC(=O)c1ccn(C(C)(C)C)c1 ZINC000218249589 382790106 /nfs/dbraw/zinc/79/01/06/382790106.db2.gz XIIZVRHIGATJOT-ZDUSSCGKSA-N 0 0 285.391 2.999 50 70 CFIARN COC[C@H]1CCC[C@H]1NC(=O)CCc1cccc(F)c1 ZINC000218768176 382790633 /nfs/dbraw/zinc/79/06/33/382790633.db2.gz XFAKYKUBPWXPPL-UKRRQHHQSA-N 0 0 279.355 2.690 50 70 CFIARN CCc1cnc(C)nc1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000218038840 262345306 /nfs/dbraw/zinc/34/53/06/262345306.db2.gz PIIAMXUPIWUUBH-AWEZNQCLSA-N 0 0 295.386 2.943 50 70 CFIARN CC(C)CCNC(=O)CC1(n2cccc2)CCOCC1 ZINC000218409975 278765345 /nfs/dbraw/zinc/76/53/45/278765345.db2.gz RHZXQADVPYWKCW-UHFFFAOYSA-N 0 0 278.396 2.546 50 70 CFIARN C[C@H](C(=O)NCc1nc(C2CC2)cs1)C1CCOCC1 ZINC000159769624 322328015 /nfs/dbraw/zinc/32/80/15/322328015.db2.gz OHNAKZNEBYGDRH-JTQLQIEISA-N 0 0 294.420 2.699 50 70 CFIARN O=C(NCCc1noc(C2CCCC2)n1)c1ccsc1 ZINC000217184470 189708715 /nfs/dbraw/zinc/70/87/15/189708715.db2.gz OWQLYNLGOUQZFG-UHFFFAOYSA-N 0 0 291.376 2.761 50 70 CFIARN C[SiH](C)c1ccc(Oc2ccc([SiH](C)C)cc2)cc1 ZINC000216275121 382782481 /nfs/dbraw/zinc/78/24/81/382782481.db2.gz LMGVLQCDVJCSSQ-UHFFFAOYSA-N 0 0 286.523 2.866 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)[C@@H]1CC=CCC1 ZINC000217533871 382786779 /nfs/dbraw/zinc/78/67/79/382786779.db2.gz HOESVCJJUDOJMW-DGCLKSJQSA-N 0 0 265.378 2.644 50 70 CFIARN Cc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)o1 ZINC000217667098 382787597 /nfs/dbraw/zinc/78/75/97/382787597.db2.gz SBOLRJVFKTXTHM-SNVBAGLBSA-N 0 0 272.256 2.758 50 70 CFIARN CC[C@@H](NC(=O)c1cc(C)oc1C)c1nc(C)c[nH]1 ZINC000217638865 382787638 /nfs/dbraw/zinc/78/76/38/382787638.db2.gz RPQYFIFUYKQIIZ-GFCCVEGCSA-N 0 0 261.325 2.809 50 70 CFIARN COc1ccc(CNC(=O)Nc2ccn3nccc3c2)cc1 ZINC000217959793 382788331 /nfs/dbraw/zinc/78/83/31/382788331.db2.gz HORDTZHDNMYERC-UHFFFAOYSA-N 0 0 296.330 2.665 50 70 CFIARN CC[C@@H](NC(=O)C(=O)c1ccco1)c1nc(C)c(C)s1 ZINC000218010743 382788918 /nfs/dbraw/zinc/78/89/18/382788918.db2.gz CEMVNHJISYBWOT-SNVBAGLBSA-N 0 0 292.360 2.803 50 70 CFIARN Cc1c[nH]c([C@@H](C)NC(=O)c2cc3ccccc3n2C)n1 ZINC000218386530 382790263 /nfs/dbraw/zinc/79/02/63/382790263.db2.gz GLYZRHUSIGZLJH-LLVKDONJSA-N 0 0 282.347 2.701 50 70 CFIARN O=C1C[C@H](c2ccc(O)cc2)c2cc3c(cc2O1)OCO3 ZINC000217793368 296349271 /nfs/dbraw/zinc/34/92/71/296349271.db2.gz MYJYRSNMCDQADS-LLVKDONJSA-N 0 0 284.267 2.562 50 70 CFIARN O=C(c1ncc(F)cc1F)N1CCC[C@H]1c1ccccn1 ZINC000217086848 413063921 /nfs/dbraw/zinc/06/39/21/413063921.db2.gz ZJVHQPVKZPZANW-ZDUSSCGKSA-N 0 0 289.285 2.732 50 70 CFIARN CC[C@@H](NC(=O)c1cc(C)nn1CC)c1ncccc1C ZINC000218546913 393758643 /nfs/dbraw/zinc/75/86/43/393758643.db2.gz ZIVPGYBBMMTYQP-CYBMUJFWSA-N 0 0 286.379 2.796 50 70 CFIARN CC(C)c1nc(N(C)C)nc(N2CCCC(C)(C)C2)n1 ZINC000159728304 378728011 /nfs/dbraw/zinc/72/80/11/378728011.db2.gz FZYQQDRFWAKXEA-UHFFFAOYSA-N 0 0 277.416 2.687 50 70 CFIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1 ZINC000217588320 382786670 /nfs/dbraw/zinc/78/66/70/382786670.db2.gz QVQXNKGMHBEAAM-FUNVUKJBSA-N 0 0 262.378 2.580 50 70 CFIARN CC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217826631 382788095 /nfs/dbraw/zinc/78/80/95/382788095.db2.gz SAMDNHSWSVWMPO-CQSZACIVSA-N 0 0 299.374 2.846 50 70 CFIARN COc1ccc([C@@H](C)Nc2cc(C3CC(O)C3)ncn2)cc1 ZINC000218395757 382790329 /nfs/dbraw/zinc/79/03/29/382790329.db2.gz BMQDAOBFQMVZFP-LMWSTFAQSA-N 0 0 299.374 2.897 50 70 CFIARN C[C@@H](Cc1cnccn1)NC(=O)c1ccc2c(c1)CCCC2 ZINC000218432174 382790353 /nfs/dbraw/zinc/79/03/53/382790353.db2.gz OZOWSPTYGXIGPE-ZDUSSCGKSA-N 0 0 295.386 2.716 50 70 CFIARN Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)c(F)c1)CC(=O)O2 ZINC000218496839 292000894 /nfs/dbraw/zinc/00/08/94/292000894.db2.gz JIJYTSUEDRWLEA-VIFPVBQESA-N 0 0 292.237 2.667 50 70 CFIARN CC[C@@H](NC(=O)CCC(F)(F)F)c1nc(C)c[nH]1 ZINC000217081895 413064125 /nfs/dbraw/zinc/06/41/25/413064125.db2.gz GRSIYQDRGQXNJG-MRVPVSSYSA-N 0 0 263.263 2.628 50 70 CFIARN Cc1nc(CC(=O)Nc2nnc(C(C)C)s2)c(C)s1 ZINC000160123386 534887299 /nfs/dbraw/zinc/88/72/99/534887299.db2.gz GJSFARVIRWZVRI-UHFFFAOYSA-N 0 0 296.421 2.916 50 70 CFIARN CN(Cc1cc[nH]n1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000217151603 189708730 /nfs/dbraw/zinc/70/87/30/189708730.db2.gz DNURCMXNLUVFMJ-UHFFFAOYSA-N 0 0 296.374 2.872 50 70 CFIARN CS[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC000217549289 189710155 /nfs/dbraw/zinc/71/01/55/189710155.db2.gz BCXSGIYYWPRJOS-MRVPVSSYSA-N 0 0 257.305 2.542 50 70 CFIARN Cc1ccccc1OCC(=O)Nc1ccn2nccc2c1 ZINC000217954612 189713147 /nfs/dbraw/zinc/71/31/47/189713147.db2.gz FAMWRCGEZXHSAS-UHFFFAOYSA-N 0 0 281.315 2.660 50 70 CFIARN Cc1ccc(N2CCN(c3cnccn3)[C@@H](C)C2)cc1 ZINC000216658033 382784443 /nfs/dbraw/zinc/78/44/43/382784443.db2.gz JQTZFEILIFAIAZ-AWEZNQCLSA-N 0 0 268.364 2.500 50 70 CFIARN Cc1[nH]c2ccccc2c(=O)c1CNc1ccccn1 ZINC000217431381 382786421 /nfs/dbraw/zinc/78/64/21/382786421.db2.gz QUTWHLXAUALMLV-UHFFFAOYSA-N 0 0 265.316 2.844 50 70 CFIARN Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000217583473 382786832 /nfs/dbraw/zinc/78/68/32/382786832.db2.gz MWHMMPABLJJMAL-QKCSRTOESA-N 0 0 263.337 2.619 50 70 CFIARN COc1cccc(C(=O)NCC[C@H](O)c2ccsc2)c1 ZINC000217526203 382786945 /nfs/dbraw/zinc/78/69/45/382786945.db2.gz DZSZHNFHMJACBA-AWEZNQCLSA-N 0 0 291.372 2.610 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)NCc1cccs1 ZINC000217545406 382787047 /nfs/dbraw/zinc/78/70/47/382787047.db2.gz BPUJRAFVJBTTRC-GFCCVEGCSA-N 0 0 296.417 2.733 50 70 CFIARN O=C(C1CCC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653170 382787254 /nfs/dbraw/zinc/78/72/54/382787254.db2.gz FEFQJYOSEFHICE-HNNXBMFYSA-N 0 0 296.374 2.519 50 70 CFIARN O=C(NCc1cccs1)Nc1ccn2nccc2c1 ZINC000217959550 382788475 /nfs/dbraw/zinc/78/84/75/382788475.db2.gz IPVNWIBQUMISSV-UHFFFAOYSA-N 0 0 272.333 2.718 50 70 CFIARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1ccc(N)nc1 ZINC000218111382 382789288 /nfs/dbraw/zinc/78/92/88/382789288.db2.gz VRRAQOMMRQVDFS-UHFFFAOYSA-N 0 0 298.321 2.556 50 70 CFIARN CC(C)c1nnc(NC(=O)CCc2c[nH]c3ccccc23)[nH]1 ZINC000218147066 382789487 /nfs/dbraw/zinc/78/94/87/382789487.db2.gz ADDYKXQIYVJDLE-UHFFFAOYSA-N 0 0 297.362 2.981 50 70 CFIARN CCCO[C@H]1CCCN(C(=O)c2ccnc(C(C)C)n2)C1 ZINC000218294392 382789778 /nfs/dbraw/zinc/78/97/78/382789778.db2.gz WHKJWSUNXIIEOW-ZDUSSCGKSA-N 0 0 291.395 2.631 50 70 CFIARN Cc1cc(C)c(CNC(=O)c2cc(C)c(O)c(C)c2)cn1 ZINC000218300656 382790045 /nfs/dbraw/zinc/79/00/45/382790045.db2.gz XWLXHWUFUNHDLS-UHFFFAOYSA-N 0 0 284.359 2.951 50 70 CFIARN CCCOc1ccc(C(=O)N2CCCO[C@H](C)C2)cc1 ZINC000218694568 382790638 /nfs/dbraw/zinc/79/06/38/382790638.db2.gz DIGUMRFPWWXOEV-CYBMUJFWSA-N 0 0 277.364 2.726 50 70 CFIARN CCCn1ccnc1CNC(=O)c1ccc(CSC)o1 ZINC000218737004 382790682 /nfs/dbraw/zinc/79/06/82/382790682.db2.gz OLAIUOSNNGUYRX-UHFFFAOYSA-N 0 0 293.392 2.679 50 70 CFIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000217822364 275506149 /nfs/dbraw/zinc/50/61/49/275506149.db2.gz KSQOWFTZUYWODM-CYBMUJFWSA-N 0 0 298.294 2.741 50 70 CFIARN CCc1noc(C)c1NC(=O)Nc1nc(COC)cs1 ZINC000161370041 329528323 /nfs/dbraw/zinc/52/83/23/329528323.db2.gz IHAQFFMPPXCRNJ-UHFFFAOYSA-N 0 0 296.352 2.792 50 70 CFIARN C[C@@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159567886 188432200 /nfs/dbraw/zinc/43/22/00/188432200.db2.gz APQIFEXDRPQDCB-QMMMGPOBSA-N 0 0 252.264 2.696 50 70 CFIARN Cc1noc2nc3c(c(C(=O)NCCC(C)C)c12)CCC3 ZINC000218179301 189714006 /nfs/dbraw/zinc/71/40/06/189714006.db2.gz FVTYPGFIEHHPAI-UHFFFAOYSA-N 0 0 287.363 2.796 50 70 CFIARN CC(C)c1nc(CCN(C)C(=O)[C@@H]2CC=CCC2)no1 ZINC000218308623 189714107 /nfs/dbraw/zinc/71/41/07/189714107.db2.gz BPUVJKFDSPOQOY-GFCCVEGCSA-N 0 0 277.368 2.550 50 70 CFIARN CC(C)(C)c1nsc(N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000159798447 378730486 /nfs/dbraw/zinc/73/04/86/378730486.db2.gz CLFMRMDQTOMNJV-VIFPVBQESA-N 0 0 296.440 2.647 50 70 CFIARN O=C(/C=C/c1ccoc1)NC[C@](O)(c1ccccc1)C1CC1 ZINC000217579425 382786687 /nfs/dbraw/zinc/78/66/87/382786687.db2.gz CISPWOLHWFVWSM-YOCVDRLZSA-N 0 0 297.354 2.707 50 70 CFIARN O=C(Cc1ccccc1C(F)(F)F)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000218204983 382789621 /nfs/dbraw/zinc/78/96/21/382789621.db2.gz SRHNDXLYIOYPMV-WXHSDQCUSA-N 0 0 299.292 2.542 50 70 CFIARN O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1CC=CCC1 ZINC000218225297 382789838 /nfs/dbraw/zinc/78/98/38/382789838.db2.gz QDXNYZCJUDGFIV-AWEZNQCLSA-N 0 0 289.379 2.605 50 70 CFIARN O=C(CCc1cccnc1)NCc1ccc2c(c1)CCCO2 ZINC000218361239 382789845 /nfs/dbraw/zinc/78/98/45/382789845.db2.gz ORMFEMOPWLBIAH-UHFFFAOYSA-N 0 0 296.370 2.656 50 70 CFIARN COC[C@H](NC(=O)CCc1ccccc1C)c1ccccn1 ZINC000218353376 382790016 /nfs/dbraw/zinc/79/00/16/382790016.db2.gz GAIZGQNALMJCIB-KRWDZBQOSA-N 0 0 298.386 2.827 50 70 CFIARN CC(=O)N1CC(Nc2ccc3c4c(cccc42)CC3)=CC1=O ZINC000218508052 382790367 /nfs/dbraw/zinc/79/03/67/382790367.db2.gz CIFGSSAWJANGRR-UHFFFAOYSA-N 0 0 292.338 2.623 50 70 CFIARN COc1ccc(C)nc1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000218722908 382790691 /nfs/dbraw/zinc/79/06/91/382790691.db2.gz HEPDORCRSROEDA-AWEZNQCLSA-N 0 0 296.370 2.994 50 70 CFIARN O=C(Nc1cccs1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000218100698 256786338 /nfs/dbraw/zinc/78/63/38/256786338.db2.gz VCLZRCJILZBHTR-LLVKDONJSA-N 0 0 288.376 2.544 50 70 CFIARN O=C1C[C@@H](c2cccs2)c2cc3c(cc2O1)OCO3 ZINC000217756022 393756989 /nfs/dbraw/zinc/75/69/89/393756989.db2.gz ZOOILASUONQSMD-SECBINFHSA-N 0 0 274.297 2.918 50 70 CFIARN Cc1c[nH]c([C@H](C)NC(=O)c2ccc(OC(F)F)cc2)n1 ZINC000218638720 393758185 /nfs/dbraw/zinc/75/81/85/393758185.db2.gz VHHXPKMFPUSHJG-VIFPVBQESA-N 0 0 295.289 2.811 50 70 CFIARN CCCn1ccnc1CNC(=O)c1ccc(Cl)cc1 ZINC000218529427 393758436 /nfs/dbraw/zinc/75/84/36/393758436.db2.gz NEEHAVNBYGYWLA-UHFFFAOYSA-N 0 0 277.755 2.877 50 70 CFIARN CCCOc1ccccc1C(=O)NC[C@H]1CCCOC1 ZINC000218532559 393758553 /nfs/dbraw/zinc/75/85/53/393758553.db2.gz MRJHTCHMOYZYEE-CYBMUJFWSA-N 0 0 277.364 2.632 50 70 CFIARN CC(C)c1nnc(NC(=O)c2ccnn2C(C)C)s1 ZINC000160123656 528458299 /nfs/dbraw/zinc/45/82/99/528458299.db2.gz RGUUVOYWDJKEDP-UHFFFAOYSA-N 0 0 279.369 2.691 50 70 CFIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCc1cccc(O)c1 ZINC000217063082 570307526 /nfs/dbraw/zinc/30/75/26/570307526.db2.gz FIBHIZSMKDQHOK-SNVBAGLBSA-N 0 0 287.363 2.542 50 70 CFIARN C[C@@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000159756810 378729172 /nfs/dbraw/zinc/72/91/72/378729172.db2.gz KMWFIVYBHCWEQC-VIFPVBQESA-N 0 0 266.291 2.943 50 70 CFIARN O=C(NCC(F)(F)F)Nc1ccc(C(F)(F)F)nc1 ZINC000160739601 378794624 /nfs/dbraw/zinc/79/46/24/378794624.db2.gz JLOONEMEAMYQOO-UHFFFAOYSA-N 0 0 287.163 2.784 50 70 CFIARN CC[C@H](NC(=O)C(=O)c1ccco1)c1nc(C)c(C)s1 ZINC000218010822 382788773 /nfs/dbraw/zinc/78/87/73/382788773.db2.gz CEMVNHJISYBWOT-JTQLQIEISA-N 0 0 292.360 2.803 50 70 CFIARN CCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218505336 382790331 /nfs/dbraw/zinc/79/03/31/382790331.db2.gz AZTNVLUYGNXGSW-AJUCZRQESA-N 0 0 284.359 2.573 50 70 CFIARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1sccc1C)C2 ZINC000217174872 393756730 /nfs/dbraw/zinc/75/67/30/393756730.db2.gz WUSSLUWCYLRXAR-GDNZZTSVSA-N 0 0 265.378 2.554 50 70 CFIARN Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(OC(F)F)cc2)n1 ZINC000218638672 393758461 /nfs/dbraw/zinc/75/84/61/393758461.db2.gz VHHXPKMFPUSHJG-SECBINFHSA-N 0 0 295.289 2.811 50 70 CFIARN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000217043399 279934502 /nfs/dbraw/zinc/93/45/02/279934502.db2.gz JVIFEZPPTZHEHD-UTUOFQBUSA-N 0 0 285.265 2.613 50 70 CFIARN CO[C@@]1(C)C[C@@H](OC(=O)c2cc(C(C)C)n(C)n2)C1(C)C ZINC000159737025 294154399 /nfs/dbraw/zinc/15/43/99/294154399.db2.gz RLKNZVAJMVGCBP-CJNGLKHVSA-N 0 0 294.395 2.904 50 70 CFIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccn1 ZINC000217637861 348164932 /nfs/dbraw/zinc/16/49/32/348164932.db2.gz ZYEQLOCABHWNDK-FOSCPWQOSA-N 0 0 262.378 2.580 50 70 CFIARN c1ccc(C[SiH](c2ccccc2)c2ccccc2)cc1 ZINC000169817695 540250096 /nfs/dbraw/zinc/25/00/96/540250096.db2.gz WVPWIEWIDYLVLY-UHFFFAOYSA-N 0 0 274.439 2.810 50 70 CFIARN C[C@](O)(CNC(=O)C1CC1)c1cc2ccccc2s1 ZINC000217496916 189710295 /nfs/dbraw/zinc/71/02/95/189710295.db2.gz HPHLALICVIVPRQ-HNNXBMFYSA-N 0 0 275.373 2.635 50 70 CFIARN COc1ccc(F)cc1C(=O)N[C@@H](C)Cc1cccnc1 ZINC000217897416 189712313 /nfs/dbraw/zinc/71/23/13/189712313.db2.gz IUFUVNBVKLZPQA-NSHDSACASA-N 0 0 288.322 2.590 50 70 CFIARN CCC(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 ZINC000217894410 189712343 /nfs/dbraw/zinc/71/23/43/189712343.db2.gz NXGPMQFEKVINBA-UHFFFAOYSA-N 0 0 287.363 2.829 50 70 CFIARN COC(=O)CCC(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159606827 378720275 /nfs/dbraw/zinc/72/02/75/378720275.db2.gz DDCKPBIPAZXVGY-LLVKDONJSA-N 0 0 293.388 2.715 50 70 CFIARN COc1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000160540617 378780552 /nfs/dbraw/zinc/78/05/52/378780552.db2.gz BGIUNZIIMMATQA-KBPBESRZSA-N 0 0 285.347 2.817 50 70 CFIARN CC(C)(C)C(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653344 382787352 /nfs/dbraw/zinc/78/73/52/382787352.db2.gz NFCAEYWRSBMZMC-CQSZACIVSA-N 0 0 298.390 2.765 50 70 CFIARN O=C(CC1CCCC1)NCCn1ccnc1-c1ccccn1 ZINC000217857882 382787907 /nfs/dbraw/zinc/78/79/07/382787907.db2.gz OJCZNLOVNFAKBV-UHFFFAOYSA-N 0 0 298.390 2.642 50 70 CFIARN CC(C)c1nnc([C@@H](C)NC(=O)CCC(F)(F)F)o1 ZINC000217721986 382788044 /nfs/dbraw/zinc/78/80/44/382788044.db2.gz VJDNIIWUBMRACM-SSDOTTSWSA-N 0 0 279.262 2.713 50 70 CFIARN CC(C)(C)C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217883564 382788051 /nfs/dbraw/zinc/78/80/51/382788051.db2.gz ZZKYHLSUBVTENK-UHFFFAOYSA-N 0 0 277.393 2.774 50 70 CFIARN O=C1C[C@@H](c2ccsc2)c2cc3c(cc2O1)OCO3 ZINC000217887679 382788417 /nfs/dbraw/zinc/78/84/17/382788417.db2.gz JRPJKZQGYBVLEQ-VIFPVBQESA-N 0 0 274.297 2.918 50 70 CFIARN Cc1cccc(CC(=O)Nc2ccn3nccc3c2)c1 ZINC000217954846 382788423 /nfs/dbraw/zinc/78/84/23/382788423.db2.gz QCPKHRNCPVMBEZ-UHFFFAOYSA-N 0 0 265.316 2.824 50 70 CFIARN COC[C@@H](NC(=O)CCc1ccccc1C)c1ccccn1 ZINC000218353287 382789749 /nfs/dbraw/zinc/78/97/49/382789749.db2.gz GAIZGQNALMJCIB-QGZVFWFLSA-N 0 0 298.386 2.827 50 70 CFIARN CC[C@H](NC(=O)Cc1cccnc1)c1ncccc1C ZINC000218378740 382790287 /nfs/dbraw/zinc/79/02/87/382790287.db2.gz OTVLWYOVIGMFDB-AWEZNQCLSA-N 0 0 269.348 2.595 50 70 CFIARN Cc1cc(CC(=O)N2CCC[C@H](c3ccccc3)C2)on1 ZINC000216958842 189708144 /nfs/dbraw/zinc/70/81/44/189708144.db2.gz VQWJEIFIICQXJM-HNNXBMFYSA-N 0 0 284.359 2.932 50 70 CFIARN O=C(c1ccoc1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217603917 296276272 /nfs/dbraw/zinc/27/62/72/296276272.db2.gz QQSLJZVEDSDLBZ-QGZVFWFLSA-N 0 0 297.310 2.582 50 70 CFIARN O=C(c1ccncc1F)N1CCCC[C@H]1c1ccccn1 ZINC000216974683 382785274 /nfs/dbraw/zinc/78/52/74/382785274.db2.gz SCZYARRHMOGQFK-HNNXBMFYSA-N 0 0 285.322 2.983 50 70 CFIARN Cc1nc2cc(CNC(=O)CCC(F)(F)F)ccc2n1C ZINC000217801277 382787990 /nfs/dbraw/zinc/78/79/90/382787990.db2.gz IZJQGKNFWMRYIF-UHFFFAOYSA-N 0 0 299.296 2.840 50 70 CFIARN O=C(Cc1ccc(F)cc1F)Nc1ccn2nccc2c1 ZINC000217957859 382788491 /nfs/dbraw/zinc/78/84/91/382788491.db2.gz MPDXKTXTRBYZBV-UHFFFAOYSA-N 0 0 287.269 2.794 50 70 CFIARN CSc1nc(C(=O)NCCCc2ccncc2)cs1 ZINC000218298468 382790008 /nfs/dbraw/zinc/79/00/08/382790008.db2.gz GQHCVZMHCGLFJE-UHFFFAOYSA-N 0 0 293.417 2.623 50 70 CFIARN Cc1cc(C)c(CNC(=O)CSc2ccccn2)cn1 ZINC000218480356 382790357 /nfs/dbraw/zinc/79/03/57/382790357.db2.gz MWJLSCGVEHXKNR-UHFFFAOYSA-N 0 0 287.388 2.502 50 70 CFIARN CC[C@@H](NC(=O)Cc1cccnc1)c1ncccc1C ZINC000218378671 382790366 /nfs/dbraw/zinc/79/03/66/382790366.db2.gz OTVLWYOVIGMFDB-CQSZACIVSA-N 0 0 269.348 2.595 50 70 CFIARN CCCOc1ccc(C(=O)N2CCCO[C@@H](C)C2)cc1 ZINC000218694492 382790571 /nfs/dbraw/zinc/79/05/71/382790571.db2.gz DIGUMRFPWWXOEV-ZDUSSCGKSA-N 0 0 277.364 2.726 50 70 CFIARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)c(F)c1)CC(=O)O2 ZINC000218496929 292000994 /nfs/dbraw/zinc/00/09/94/292000994.db2.gz JIJYTSUEDRWLEA-SECBINFHSA-N 0 0 292.237 2.667 50 70 CFIARN Cc1c[nH]nc1C1CCN(C(=O)c2cccs2)CC1 ZINC000217172770 393756788 /nfs/dbraw/zinc/75/67/88/393756788.db2.gz UDSWXXGSAGUDGX-UHFFFAOYSA-N 0 0 275.377 2.799 50 70 CFIARN CS[C@H](C)CC(=O)N(Cc1ccncc1)C1CC1 ZINC000160823064 378802698 /nfs/dbraw/zinc/80/26/98/378802698.db2.gz IXIYPSLEZRPRBH-LLVKDONJSA-N 0 0 264.394 2.714 50 70 CFIARN CC[C@@H](CNC(=O)NO[C@H]1CCCCO1)c1ccccc1 ZINC000161371473 378842631 /nfs/dbraw/zinc/84/26/31/378842631.db2.gz KRPQHKRWOUUOAB-ZFWWWQNUSA-N 0 0 292.379 2.938 50 70 CFIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccsc1 ZINC000217524808 382786960 /nfs/dbraw/zinc/78/69/60/382786960.db2.gz DKNIGTJXWFWPFY-LLVKDONJSA-N 0 0 267.375 2.663 50 70 CFIARN O=C(NCCSC1CCOCC1)C1CCCCC1 ZINC000217707353 382787290 /nfs/dbraw/zinc/78/72/90/382787290.db2.gz RXGMYIRQKNQPPL-UHFFFAOYSA-N 0 0 271.426 2.595 50 70 CFIARN O=C(CC1CC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217815863 382788028 /nfs/dbraw/zinc/78/80/28/382788028.db2.gz ABOJSXXTRRYGAN-LBPRGKRZSA-N 0 0 289.379 2.528 50 70 CFIARN CCOCCC(=O)N[C@@H](CC)c1nc(C)c(C)s1 ZINC000218190590 382789289 /nfs/dbraw/zinc/78/92/89/382789289.db2.gz LYIMFUYEMDEOLV-NSHDSACASA-N 0 0 270.398 2.754 50 70 CFIARN O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1CC=CCC1 ZINC000218225371 382789882 /nfs/dbraw/zinc/78/98/82/382789882.db2.gz QDXNYZCJUDGFIV-CQSZACIVSA-N 0 0 289.379 2.605 50 70 CFIARN C[C@H](Cc1cccnc1)NC(=O)c1ccn(C(C)(C)C)c1 ZINC000218249654 382790127 /nfs/dbraw/zinc/79/01/27/382790127.db2.gz XIIZVRHIGATJOT-CYBMUJFWSA-N 0 0 285.391 2.999 50 70 CFIARN Cc1cc(C(=O)N2CCO[C@@H](c3cccnc3)C2)c(C)o1 ZINC000218603871 393758418 /nfs/dbraw/zinc/75/84/18/393758418.db2.gz OVXAKJBBUAHLRG-OAHLLOKOSA-N 0 0 286.331 2.505 50 70 CFIARN CC(C)Cc1nnc(NC(=O)c2cc3ccccc3[nH]2)[nH]1 ZINC000218569173 393758509 /nfs/dbraw/zinc/75/85/09/393758509.db2.gz ZFPDXQXDFXQOOH-UHFFFAOYSA-N 0 0 283.335 2.737 50 70 CFIARN COc1ccncc1-c1cc2ccccc2c(=O)[nH]1 ZINC000216638789 278067979 /nfs/dbraw/zinc/06/79/79/278067979.db2.gz ZOLCVXBMYYTQRY-UHFFFAOYSA-N 0 0 252.273 2.599 50 70 CFIARN C[SiH](c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000169817071 188666060 /nfs/dbraw/zinc/66/60/60/188666060.db2.gz OUERSQRNMWMEFY-UHFFFAOYSA-N 0 0 254.449 2.955 50 70 CFIARN O=C(/C=C/c1ccoc1)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000217579512 189710864 /nfs/dbraw/zinc/71/08/64/189710864.db2.gz CISPWOLHWFVWSM-AHKGRUIUSA-N 0 0 297.354 2.707 50 70 CFIARN CSc1ccc(CC(=O)N2CC[C@H](C(C)(C)O)C2)cc1 ZINC000217728367 189711792 /nfs/dbraw/zinc/71/17/92/189711792.db2.gz MDSOHJIHEWUAFG-ZDUSSCGKSA-N 0 0 293.432 2.570 50 70 CFIARN C[C@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159568006 378716534 /nfs/dbraw/zinc/71/65/34/378716534.db2.gz APQIFEXDRPQDCB-MRVPVSSYSA-N 0 0 252.264 2.696 50 70 CFIARN O=C(NO[C@H]1CCCCO1)Nc1c(F)cc(F)cc1F ZINC000161314641 378838939 /nfs/dbraw/zinc/83/89/39/378838939.db2.gz AZMJTSFTFDYDSQ-JTQLQIEISA-N 0 0 290.241 2.684 50 70 CFIARN Cc1cc(CC(=O)N2CCC[C@@H](c3ccccc3)C2)on1 ZINC000216958823 382785113 /nfs/dbraw/zinc/78/51/13/382785113.db2.gz VQWJEIFIICQXJM-OAHLLOKOSA-N 0 0 284.359 2.932 50 70 CFIARN COCCCCCC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000217015577 382785521 /nfs/dbraw/zinc/78/55/21/382785521.db2.gz CYCBRAUWRYVGRQ-NSHDSACASA-N 0 0 270.398 2.836 50 70 CFIARN COCCNC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217485896 382786948 /nfs/dbraw/zinc/78/69/48/382786948.db2.gz VPLLHGWZXZUEPI-UHFFFAOYSA-N 0 0 282.409 2.506 50 70 CFIARN Cc1nnc(CN(C)C(=O)c2cc3ccccc3cc2O)o1 ZINC000217553669 382786965 /nfs/dbraw/zinc/78/69/65/382786965.db2.gz BSKDQJUWMGFJHQ-UHFFFAOYSA-N 0 0 297.314 2.509 50 70 CFIARN O=C(CCSc1ccccc1)N1CCc2oncc2C1 ZINC000217692399 382787271 /nfs/dbraw/zinc/78/72/71/382787271.db2.gz IYWSENQDAQUPAN-UHFFFAOYSA-N 0 0 288.372 2.742 50 70 CFIARN Cn1nc(CN(C(=O)C2CC2)C2CCCC2)c2c1CCC2 ZINC000217908670 382788322 /nfs/dbraw/zinc/78/83/22/382788322.db2.gz TWGMVRHXVRHQSD-UHFFFAOYSA-N 0 0 287.407 2.590 50 70 CFIARN O=C(NCc1ccc(F)cc1)Nc1ccn2nccc2c1 ZINC000217960754 382788494 /nfs/dbraw/zinc/78/84/94/382788494.db2.gz OOGWDEYGOJZMEY-UHFFFAOYSA-N 0 0 284.294 2.795 50 70 CFIARN CCn1ncnc1[C@H](C)NC(=O)c1cc(Cl)ccc1F ZINC000218198650 382789424 /nfs/dbraw/zinc/78/94/24/382789424.db2.gz SWGZSQHOYUOYPH-QMMMGPOBSA-N 0 0 296.733 2.582 50 70 CFIARN CC(C)(C)c1nsc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000159798318 277281746 /nfs/dbraw/zinc/28/17/46/277281746.db2.gz CLFMRMDQTOMNJV-SECBINFHSA-N 0 0 296.440 2.647 50 70 CFIARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CCCc1cccs1)C2 ZINC000217120201 189708461 /nfs/dbraw/zinc/70/84/61/189708461.db2.gz HLYNXZWAOONGGD-VIKVFOODSA-N 0 0 293.432 2.954 50 70 CFIARN Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)cc1 ZINC000160123751 378750376 /nfs/dbraw/zinc/75/03/76/378750376.db2.gz RYBXYJVPFWMYEB-GFCCVEGCSA-N 0 0 291.372 2.740 50 70 CFIARN CCOC(=O)N[C@H](Cc1ccccc1)c1csc(N)n1 ZINC000216811403 382784689 /nfs/dbraw/zinc/78/46/89/382784689.db2.gz KSNYHBMHHCLOFY-LLVKDONJSA-N 0 0 291.376 2.755 50 70 CFIARN C[C@@](O)(CNC(=O)C1CC1)c1cc2ccccc2s1 ZINC000217496842 382786855 /nfs/dbraw/zinc/78/68/55/382786855.db2.gz HPHLALICVIVPRQ-OAHLLOKOSA-N 0 0 275.373 2.635 50 70 CFIARN CS[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC000217549387 382786874 /nfs/dbraw/zinc/78/68/74/382786874.db2.gz BCXSGIYYWPRJOS-QMMMGPOBSA-N 0 0 257.305 2.542 50 70 CFIARN COc1ccc(-c2coc3ccc(OCC(N)=O)cc32)cc1 ZINC000217749734 382787973 /nfs/dbraw/zinc/78/79/73/382787973.db2.gz NCTHNUJVXJVCMN-UHFFFAOYSA-N 0 0 297.310 2.973 50 70 CFIARN Cn1cccc1[C@H](O)CCNC(=O)c1cc2ccccc2o1 ZINC000217933558 382788363 /nfs/dbraw/zinc/78/83/63/382788363.db2.gz PWUVJWODQSRLLF-CQSZACIVSA-N 0 0 298.342 2.625 50 70 CFIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c[nH]c2ccccc12 ZINC000217915096 382788461 /nfs/dbraw/zinc/78/84/61/382788461.db2.gz WDJSFSOPCBRYNX-MLGOLLRUSA-N 0 0 288.391 2.624 50 70 CFIARN Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(Cl)s1 ZINC000217933824 382788483 /nfs/dbraw/zinc/78/84/83/382788483.db2.gz SRVCMHVWBLYUHD-JTQLQIEISA-N 0 0 298.795 2.594 50 70 CFIARN CCn1ncnc1[C@@H](C)NC(=O)c1cc(Cl)ccc1F ZINC000218198580 382789326 /nfs/dbraw/zinc/78/93/26/382789326.db2.gz SWGZSQHOYUOYPH-MRVPVSSYSA-N 0 0 296.733 2.582 50 70 CFIARN CCc1nccn1CC(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000218484619 382790371 /nfs/dbraw/zinc/79/03/71/382790371.db2.gz GOWLQOIAKRDXEO-HNNXBMFYSA-N 0 0 289.423 2.874 50 70 CFIARN Cc1ccnn1CC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000217120412 413063930 /nfs/dbraw/zinc/06/39/30/413063930.db2.gz GFUKYCRHFSCRMB-MRXNPFEDSA-N 0 0 283.375 2.598 50 70 CFIARN COC[C@@H]1CCN(C(=O)CCCc2ccc(OC)cc2)C1 ZINC000218594991 393758480 /nfs/dbraw/zinc/75/84/80/393758480.db2.gz QOGNPQVBFRQUDP-OAHLLOKOSA-N 0 0 291.391 2.513 50 70 CFIARN CO[C@@]1(C)C[C@H](OC(=O)c2cc(C(C)C)n(C)n2)C1(C)C ZINC000159737156 294165812 /nfs/dbraw/zinc/16/58/12/294165812.db2.gz RLKNZVAJMVGCBP-BBRMVZONSA-N 0 0 294.395 2.904 50 70 CFIARN CC(C)(C)OC(=O)N1CC(Cc2nc(C(C)(C)C)no2)C1 ZINC000161048021 322346442 /nfs/dbraw/zinc/34/64/42/322346442.db2.gz ORQYSMLYLUYDQA-UHFFFAOYSA-N 0 0 295.383 2.777 50 70 CFIARN O=C(CCCn1cccc1)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159529976 526470750 /nfs/dbraw/zinc/47/07/50/526470750.db2.gz WGULXNIUZWKNIH-UHFFFAOYSA-N 0 0 295.346 2.692 50 70 CFIARN O=C(NCCSC1CCOCC1)c1ccccc1Cl ZINC000217705237 189711328 /nfs/dbraw/zinc/71/13/28/189711328.db2.gz TZYWOVCJNSBIAA-UHFFFAOYSA-N 0 0 299.823 2.982 50 70 CFIARN COC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000218144781 189713884 /nfs/dbraw/zinc/71/38/84/189713884.db2.gz MUZNEYLJXMMKCC-GFCCVEGCSA-N 0 0 293.794 2.867 50 70 CFIARN Cc1ccc([C@H](C)NC(=O)c2cccc(N(C)C)c2)cn1 ZINC000218191606 189713985 /nfs/dbraw/zinc/71/39/85/189713985.db2.gz GQMVWWGWBCDTPU-ZDUSSCGKSA-N 0 0 283.375 2.947 50 70 CFIARN Cc1nnsc1C(=O)N1CCS[C@H]1c1ccsc1 ZINC000217635828 382787181 /nfs/dbraw/zinc/78/71/81/382787181.db2.gz BSHGVIUTVPJIEU-NSHDSACASA-N 0 0 297.430 2.796 50 70 CFIARN CC(C)[C@@H]1CC(=O)Oc2c3ccccc3oc(=O)c21 ZINC000217735945 382788029 /nfs/dbraw/zinc/78/80/29/382788029.db2.gz SPWKAZSXOFIZFF-JTQLQIEISA-N 0 0 258.273 2.842 50 70 CFIARN Cn1cccc1[C@@H](O)CCNC(=O)c1cccc(Cl)c1 ZINC000217933263 382788432 /nfs/dbraw/zinc/78/84/32/382788432.db2.gz ABZAACPZCQVKIO-AWEZNQCLSA-N 0 0 292.766 2.532 50 70 CFIARN CCS(=O)(=O)N1CCCC[C@H](c2ccccc2)C1 ZINC000217288236 276505068 /nfs/dbraw/zinc/50/50/68/276505068.db2.gz ZFXLZSLRBKDPRL-AWEZNQCLSA-N 0 0 267.394 2.606 50 70 CFIARN C[C@@H](NC(=O)c1cc[nH]c1)c1ccccc1-n1cccn1 ZINC000159704198 322326683 /nfs/dbraw/zinc/32/66/83/322326683.db2.gz APLKTRWRPRTRSC-GFCCVEGCSA-N 0 0 280.331 2.691 50 70 CFIARN CCc1ncnc(N2CCC[C@H](n3cc(C)cn3)C2)c1F ZINC000159522281 136392155 /nfs/dbraw/zinc/39/21/55/136392155.db2.gz MXTVPWMBWBBYAZ-LBPRGKRZSA-N 0 0 289.358 2.525 50 70 CFIARN CCONC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000161493624 348024545 /nfs/dbraw/zinc/02/45/45/348024545.db2.gz HLLQJAYYEIMKFD-ZDUSSCGKSA-N 0 0 260.293 2.620 50 70 CFIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)(C)C ZINC000217711945 348165122 /nfs/dbraw/zinc/16/51/22/348165122.db2.gz ZLAMBMXKXWZECR-ZACCUICWSA-N 0 0 256.415 2.853 50 70 CFIARN Cc1ccccc1NC(=O)NCC[C@@H](O)c1cccn1C ZINC000217950028 189712999 /nfs/dbraw/zinc/71/29/99/189712999.db2.gz MJLJPVVWXZOQRX-OAHLLOKOSA-N 0 0 287.363 2.579 50 70 CFIARN Cc1ccc([C@H](C)NC(=O)Cc2ccsc2)nc1 ZINC000218073673 189713444 /nfs/dbraw/zinc/71/34/44/189713444.db2.gz NVGSGVPITDYAJO-NSHDSACASA-N 0 0 260.362 2.871 50 70 CFIARN COC(=O)CCCC(=O)Nc1c(F)cc(Cl)cc1F ZINC000159899376 378737631 /nfs/dbraw/zinc/73/76/31/378737631.db2.gz VETHJJNAZRLDBE-UHFFFAOYSA-N 0 0 291.681 2.900 50 70 CFIARN O=C(NCCSC1CCOCC1)c1cccc(Cl)c1 ZINC000217706451 382787406 /nfs/dbraw/zinc/78/74/06/382787406.db2.gz LFANSEPPRNEQDN-UHFFFAOYSA-N 0 0 299.823 2.982 50 70 CFIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccoc1 ZINC000217888753 382788431 /nfs/dbraw/zinc/78/84/31/382788431.db2.gz OCKSJUYOJUSVRA-UHFFFAOYSA-N 0 0 287.344 2.635 50 70 CFIARN O=C(CCCn1cccn1)N1CCCC[C@H]1c1cccnc1 ZINC000218121356 382789263 /nfs/dbraw/zinc/78/92/63/382789263.db2.gz BRPJLCZJWNYWJX-INIZCTEOSA-N 0 0 298.390 2.812 50 70 CFIARN O=C(NCc1cccc(Cl)c1F)[C@H]1CCC[C@@H](O)C1 ZINC000218311367 382789806 /nfs/dbraw/zinc/78/98/06/382789806.db2.gz JJOGJDROLZBTIT-GXSJLCMTSA-N 0 0 285.746 2.646 50 70 CFIARN O=C(NCCc1ccccn1)c1ccccc1-n1cccc1 ZINC000218225545 382789940 /nfs/dbraw/zinc/78/99/40/382789940.db2.gz RUNWPGYLXWJMAF-UHFFFAOYSA-N 0 0 291.354 2.845 50 70 CFIARN CSCc1ccc(C(=O)NCc2c(C)noc2C)o1 ZINC000218336538 382790122 /nfs/dbraw/zinc/79/01/22/382790122.db2.gz VWQVNTOOJLQCSX-UHFFFAOYSA-N 0 0 280.349 2.677 50 70 CFIARN CCc1nccn1CC(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000218484535 382790268 /nfs/dbraw/zinc/79/02/68/382790268.db2.gz GOWLQOIAKRDXEO-OAHLLOKOSA-N 0 0 289.423 2.874 50 70 CFIARN Cc1cc2occ(CC(=O)N[C@H]3C[C@@H]4OCC[C@H]34)c2c(C)c1 ZINC000218733338 382790716 /nfs/dbraw/zinc/79/07/16/382790716.db2.gz ZNJYVTRFCRADSD-ILXRZTDVSA-N 0 0 299.370 2.886 50 70 CFIARN O=C(NCc1cccc(Cl)c1F)[C@H]1CCC[C@H](O)C1 ZINC000218565897 393758311 /nfs/dbraw/zinc/75/83/11/393758311.db2.gz JJOGJDROLZBTIT-ONGXEEELSA-N 0 0 285.746 2.646 50 70 CFIARN CC(C)=CCO[C@H]1CCOC[C@H]1Nc1ncc(Cl)cn1 ZINC000218548371 393758499 /nfs/dbraw/zinc/75/84/99/393758499.db2.gz KAIZPXKDMMPTRG-OLZOCXBDSA-N 0 0 297.786 2.682 50 70 CFIARN CC(=O)N1CC(Nc2ccc(C(C)C)c(C)c2)=CC1=O ZINC000218543406 393758625 /nfs/dbraw/zinc/75/86/25/393758625.db2.gz HSEDIXSLKRIMIF-UHFFFAOYSA-N 0 0 272.348 2.803 50 70 CFIARN CN(C)c1ccc(C(=O)NCC2(C)COC2)c2ccccc21 ZINC000217761240 262344438 /nfs/dbraw/zinc/34/44/38/262344438.db2.gz ASZKUFOODZRAHX-UHFFFAOYSA-N 0 0 298.386 2.672 50 70 CFIARN C[C@@H](C(=O)NCc1nc(C2CC2)cs1)C1CCOCC1 ZINC000159769758 322328120 /nfs/dbraw/zinc/32/81/20/322328120.db2.gz OHNAKZNEBYGDRH-SNVBAGLBSA-N 0 0 294.420 2.699 50 70 CFIARN Cc1csc(CCCNC(=O)c2ccnn2C(C)C)n1 ZINC000160756545 330874294 /nfs/dbraw/zinc/87/42/94/330874294.db2.gz OIPJVEVOQKUKGJ-UHFFFAOYSA-N 0 0 292.408 2.592 50 70 CFIARN C[C@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2o1 ZINC000217993161 189712780 /nfs/dbraw/zinc/71/27/80/189712780.db2.gz PXHZLQOTXPRBCL-INIZCTEOSA-N 0 0 285.299 2.663 50 70 CFIARN COc1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160540745 378781347 /nfs/dbraw/zinc/78/13/47/378781347.db2.gz BGIUNZIIMMATQA-ZIAGYGMSSA-N 0 0 285.347 2.817 50 70 CFIARN COc1cccc(F)c1C(=O)N(C)CC[C@H]1CCCCO1 ZINC000217548767 382786962 /nfs/dbraw/zinc/78/69/62/382786962.db2.gz YMYHUUQXWYTOCU-GFCCVEGCSA-N 0 0 295.354 2.866 50 70 CFIARN O=C(c1ncccc1O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000217960484 382788326 /nfs/dbraw/zinc/78/83/26/382788326.db2.gz ULPSSKOMXCFIJU-ZDUSSCGKSA-N 0 0 286.306 2.904 50 70 CFIARN CCc1cc(CN(C)C(=O)/C=C/c2ccccc2)on1 ZINC000218039159 382788915 /nfs/dbraw/zinc/78/89/15/382788915.db2.gz IIHICQUNHQNKDW-MDZDMXLPSA-N 0 0 270.332 2.909 50 70 CFIARN CN(Cc1ccccc1-n1cccn1)C(=O)c1ccoc1 ZINC000218363589 382789907 /nfs/dbraw/zinc/78/99/07/382789907.db2.gz OCBSLHKEEOUBPY-UHFFFAOYSA-N 0 0 281.315 2.738 50 70 CFIARN Cc1noc2nc3c(c(C(=O)NC4CCCC4)c12)CCC3 ZINC000218280089 382790039 /nfs/dbraw/zinc/79/00/39/382790039.db2.gz DCGQZKWZCGMQNK-UHFFFAOYSA-N 0 0 285.347 2.692 50 70 CFIARN O=C(NCc1ccccn1)c1cc(-n2cccc2)ccc1F ZINC000218437395 382790297 /nfs/dbraw/zinc/79/02/97/382790297.db2.gz ZVUKEZQNSPQOBC-UHFFFAOYSA-N 0 0 295.317 2.941 50 70 CFIARN COc1ccc(C(=O)NCCc2ccc(C)s2)o1 ZINC000218431958 382790313 /nfs/dbraw/zinc/79/03/13/382790313.db2.gz HSYSHEFNSXETES-UHFFFAOYSA-N 0 0 265.334 2.631 50 70 CFIARN Cc1cc(CNC(=O)c2ccc(N3CCCC3)cc2)ccn1 ZINC000218382120 382790382 /nfs/dbraw/zinc/79/03/82/382790382.db2.gz CEHNVSBROAZLGD-UHFFFAOYSA-N 0 0 295.386 2.920 50 70 CFIARN Cc1noc(C)c1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC000218667543 382790714 /nfs/dbraw/zinc/79/07/14/382790714.db2.gz CLVRYGUQPXBDCK-HNNXBMFYSA-N 0 0 284.359 2.713 50 70 CFIARN c1ccc(Oc2ccc([SiH2]c3ccccc3)cc2)cc1 ZINC000169817688 540249972 /nfs/dbraw/zinc/24/99/72/540249972.db2.gz PIQNJTSZTMNLGC-UHFFFAOYSA-N 0 0 276.411 2.599 50 70 CFIARN Clc1ccccc1[SiH](c1ccccc1)c1ccccc1 ZINC000169817218 540250113 /nfs/dbraw/zinc/25/01/13/540250113.db2.gz RVJAUCIHWLUZAV-UHFFFAOYSA-N 0 0 294.857 2.589 50 70 CFIARN O=C(Nc1ccn2nccc2c1)NC1CCCCC1 ZINC000217958442 189712889 /nfs/dbraw/zinc/71/28/89/189712889.db2.gz HZEAACYJEYTYCG-UHFFFAOYSA-N 0 0 258.325 2.789 50 70 CFIARN CO[C@]1(C)C[C@@H](OC(=O)c2cc(C(C)C)n(C)n2)C1(C)C ZINC000159736767 294849785 /nfs/dbraw/zinc/84/97/85/294849785.db2.gz RLKNZVAJMVGCBP-CZUORRHYSA-N 0 0 294.395 2.904 50 70 CFIARN CC[C@H](CNC(=O)NO[C@H]1CCCCO1)c1ccccc1 ZINC000161371583 378842866 /nfs/dbraw/zinc/84/28/66/378842866.db2.gz KRPQHKRWOUUOAB-HIFRSBDPSA-N 0 0 292.379 2.938 50 70 CFIARN Cc1cc(CC(=O)N2CCCC[C@@H]2c2ccccn2)on1 ZINC000217021706 382785552 /nfs/dbraw/zinc/78/55/52/382785552.db2.gz IIMDNYCQPJMMHT-OAHLLOKOSA-N 0 0 285.347 2.674 50 70 CFIARN CC(C)(C)C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217594525 382786853 /nfs/dbraw/zinc/78/68/53/382786853.db2.gz RXFNJNMDGGSIEL-QGZVFWFLSA-N 0 0 287.359 2.721 50 70 CFIARN O=C(/C=C/c1ccccc1)NCCSC1CCOCC1 ZINC000217699925 382787357 /nfs/dbraw/zinc/78/73/57/382787357.db2.gz VRKCNAMWWFVWRU-VOTSOKGWSA-N 0 0 291.416 2.728 50 70 CFIARN CC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217877189 382787951 /nfs/dbraw/zinc/78/79/51/382787951.db2.gz AARQMVCWNWOAFK-UHFFFAOYSA-N 0 0 275.377 2.625 50 70 CFIARN CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(C)s1 ZINC000218244219 382790035 /nfs/dbraw/zinc/79/00/35/382790035.db2.gz COIJCWKWWFLCDY-SNVBAGLBSA-N 0 0 278.381 2.549 50 70 CFIARN Cc1ccc(F)cc1CNc1cc(C2CC(O)C2)ncn1 ZINC000218783594 382790643 /nfs/dbraw/zinc/79/06/43/382790643.db2.gz QLNCBMHCXANXAN-UHFFFAOYSA-N 0 0 287.338 2.775 50 70 CFIARN COc1ccccc1C(=O)NCC[C@@H](O)c1ccsc1 ZINC000217526081 189710270 /nfs/dbraw/zinc/71/02/70/189710270.db2.gz CBJVCFHNCQEFNT-CYBMUJFWSA-N 0 0 291.372 2.610 50 70 CFIARN O=C(NCCSC1CCOCC1)Nc1ccccc1 ZINC000217707590 189711345 /nfs/dbraw/zinc/71/13/45/189711345.db2.gz BYEXJRBVQGZBKS-UHFFFAOYSA-N 0 0 280.393 2.720 50 70 CFIARN Cc1nc(C)c(C)c(C[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000218148496 189714041 /nfs/dbraw/zinc/71/40/41/189714041.db2.gz ZICGTSLTWIHULY-OAHLLOKOSA-N 0 0 295.386 2.997 50 70 CFIARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000159485227 378711842 /nfs/dbraw/zinc/71/18/42/378711842.db2.gz GKDPNXRADCEIRC-CHWSQXEVSA-N 0 0 298.408 2.635 50 70 CFIARN CN(Cc1cccc2cnccc21)C(=O)Cc1ccccn1 ZINC000217689633 382787168 /nfs/dbraw/zinc/78/71/68/382787168.db2.gz NLXJGTGMRGYENZ-UHFFFAOYSA-N 0 0 291.354 2.831 50 70 CFIARN O=C(NCCn1ccc(-c2ccsc2)n1)C1CCCC1 ZINC000217883763 382788418 /nfs/dbraw/zinc/78/84/18/382788418.db2.gz IQRKMGRLHYHWIA-UHFFFAOYSA-N 0 0 289.404 2.918 50 70 CFIARN CCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218505257 382790284 /nfs/dbraw/zinc/79/02/84/382790284.db2.gz AZTNVLUYGNXGSW-MKTAYPAQSA-N 0 0 284.359 2.573 50 70 CFIARN C[C@H](Cc1cnccn1)NC(=O)c1ccc2c(c1)CCCC2 ZINC000218432244 382790341 /nfs/dbraw/zinc/79/03/41/382790341.db2.gz OZOWSPTYGXIGPE-CYBMUJFWSA-N 0 0 295.386 2.716 50 70 CFIARN Cc1ccnn1CC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000217120427 413064145 /nfs/dbraw/zinc/06/41/45/413064145.db2.gz GFUKYCRHFSCRMB-INIZCTEOSA-N 0 0 283.375 2.598 50 70 CFIARN O=C1C[C@H](c2cccs2)c2cc3c(cc2O1)OCO3 ZINC000217756105 393756899 /nfs/dbraw/zinc/75/68/99/393756899.db2.gz ZOOILASUONQSMD-VIFPVBQESA-N 0 0 274.297 2.918 50 70 CFIARN CC[C@H](NC(=O)c1ccc(Cl)cc1O)c1ccnn1C ZINC000217999460 397621070 /nfs/dbraw/zinc/62/10/70/397621070.db2.gz RSEGHVNXZPZAJF-NSHDSACASA-N 0 0 293.754 2.660 50 70 CFIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccco1)CC(=O)O2 ZINC000217832719 275506122 /nfs/dbraw/zinc/50/61/22/275506122.db2.gz STEHKNKTOFLZBV-SNVBAGLBSA-N 0 0 272.256 2.629 50 70 CFIARN CO[C@]1(C)C[C@H](OC(=O)c2cc(C(C)C)n(C)n2)C1(C)C ZINC000159736909 294877363 /nfs/dbraw/zinc/87/73/63/294877363.db2.gz RLKNZVAJMVGCBP-XJKSGUPXSA-N 0 0 294.395 2.904 50 70 CFIARN