smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1nc2sc(C(=O)c3ccccc3)c(N)c2c(-c2ccccc2)c1C#N ZINC000008706708 209794267 /nfs/dbraw/zinc/79/42/67/209794267.db2.gz AGOLYEKDDPCCGS-UHFFFAOYSA-N 0 0 399.475 5.047 50 30 GKEARN COc1ccccc1/C=C/c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1 ZINC000008495835 209783174 /nfs/dbraw/zinc/78/31/74/209783174.db2.gz VBTKHOTVFGJANT-VAWYXSNFSA-N 0 0 399.494 5.184 50 30 GKEARN Cc1ccc(C)c(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000006315068 209642895 /nfs/dbraw/zinc/64/28/95/209642895.db2.gz ICRSXBXAJKZYEB-UHFFFAOYSA-N 0 0 385.492 5.259 50 30 GKEARN CCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000006160061 209634915 /nfs/dbraw/zinc/63/49/15/209634915.db2.gz OQDOZNSMINBBQU-UHFFFAOYSA-N 0 0 396.538 6.169 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@H]1CCCC[C@@H]1O ZINC000005660632 209607799 /nfs/dbraw/zinc/60/77/99/209607799.db2.gz YYBVSBOQJAUGGP-GOTSBHOMSA-N 0 0 386.520 5.683 50 30 GKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000005175567 209577618 /nfs/dbraw/zinc/57/76/18/209577618.db2.gz XPPKOIDBCKBQPJ-NRFANRHFSA-N 0 0 394.540 5.547 50 30 GKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000005092152 209569269 /nfs/dbraw/zinc/56/92/69/209569269.db2.gz OBXLGCGELBKVBE-UXBLZVDNSA-N 0 0 385.088 5.955 50 30 GKEARN COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000004864503 209535188 /nfs/dbraw/zinc/53/51/88/209535188.db2.gz GSHMIYDAINIJRO-RGEXLXHISA-N 0 0 388.854 5.648 50 30 GKEARN O=C1c2cnc3ccc4ccccc4c3c2CC/C1=C\c1ccc2c(c1)OCO2 ZINC000004603066 209502205 /nfs/dbraw/zinc/50/22/05/209502205.db2.gz WHFYZWNZUVQGLH-GZTJUZNOSA-N 0 0 379.415 5.329 50 30 GKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(Br)cc3)n2)cc1 ZINC000004199196 209472187 /nfs/dbraw/zinc/47/21/87/209472187.db2.gz NGHYGVUVNZDGJS-FYJGNVAPSA-N 0 0 386.318 5.717 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 ZINC000004199724 209471490 /nfs/dbraw/zinc/47/14/90/209471490.db2.gz HALYYPSSMMGSJS-NIYFSFCBSA-N 0 0 396.490 5.680 50 30 GKEARN C[C@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c(C#N)c2C1 ZINC000004070081 209463050 /nfs/dbraw/zinc/46/30/50/209463050.db2.gz FRSSLBAWTIXZQW-HNNXBMFYSA-N 0 0 388.492 5.789 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1 ZINC000003016854 209404860 /nfs/dbraw/zinc/40/48/60/209404860.db2.gz PUQZAVRALFPSFJ-MNDPQUGUSA-N 0 0 383.513 5.832 50 30 GKEARN COC(=O)CSc1nc(-c2ccccc2Cl)cc(-c2ccccc2)c1C#N ZINC000003117490 209412541 /nfs/dbraw/zinc/41/25/41/209412541.db2.gz STERZVGKVRXXNM-UHFFFAOYSA-N 0 0 394.883 5.206 50 30 GKEARN Fc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000003113853 209411270 /nfs/dbraw/zinc/41/12/70/209411270.db2.gz BLDROQHEKDWZJE-BHGWPJFGSA-N 0 0 385.225 6.691 50 30 GKEARN Fc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)c1 ZINC000003113091 209410630 /nfs/dbraw/zinc/41/06/30/209410630.db2.gz COVIYPCGNJMGQT-BHGWPJFGSA-N 0 0 385.225 6.691 50 30 GKEARN CC(C)(C)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002847730 209391581 /nfs/dbraw/zinc/39/15/81/209391581.db2.gz SCBCHAMADMBIGJ-RUZDIDTESA-N 0 0 397.543 6.851 50 30 GKEARN CCOc1nc(-c2ccccc2OC)cc(-c2c(Cl)cccc2Cl)c1C#N ZINC000002585129 209369967 /nfs/dbraw/zinc/36/99/67/209369967.db2.gz GVPRXVKONRTBJV-UHFFFAOYSA-N 0 0 399.277 6.001 50 30 GKEARN CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1C#N ZINC000002761921 209382403 /nfs/dbraw/zinc/38/24/03/209382403.db2.gz PVASRSWHLSAWSC-UHFFFAOYSA-N 0 0 385.876 5.360 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002738588 209381150 /nfs/dbraw/zinc/38/11/50/209381150.db2.gz FVLKQVTYABYGQA-CQSZACIVSA-N 0 0 397.500 5.321 50 30 GKEARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002742044 209380642 /nfs/dbraw/zinc/38/06/42/209380642.db2.gz LXQXBWXQJRISQD-BEFAXECRSA-N 0 0 396.556 5.567 50 30 GKEARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002741442 209380695 /nfs/dbraw/zinc/38/06/95/209380695.db2.gz OBBDWTDICWQVSL-UHFFFAOYSA-N 0 0 388.920 5.258 50 30 GKEARN CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000002186026 209348616 /nfs/dbraw/zinc/34/86/16/209348616.db2.gz SKYFMMVJTMKZPD-GFCCVEGCSA-N 0 0 390.936 5.302 50 30 GKEARN C=CCOc1ccccc1[C@@H]1Sc2ccccc2N=C2c3ccccc3C(=O)C21 ZINC000002364598 209359094 /nfs/dbraw/zinc/35/90/94/209359094.db2.gz DCFIQZGWHBBCQK-VWLOTQADSA-N 0 0 397.499 6.118 50 30 GKEARN CSC1=N/C(=N\c2ccccc2C)[C@]2(CCOC(C)(C)C2)N1c1ccccc1 ZINC000002345676 209359144 /nfs/dbraw/zinc/35/91/44/209359144.db2.gz QESDNDNVNAZGHV-ULRLVEHFSA-N 0 0 393.556 5.592 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccc(Cl)cc1 ZINC000002271588 209353673 /nfs/dbraw/zinc/35/36/73/209353673.db2.gz ZFMGYXDWWUDKEE-GFMRDNFCSA-N 0 0 397.975 6.539 50 30 GKEARN CC(C)(C)C(=O)CSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 ZINC000002268285 209353400 /nfs/dbraw/zinc/35/34/00/209353400.db2.gz GLUMMEWYUXMSPD-UHFFFAOYSA-N 0 0 384.932 5.470 50 30 GKEARN N#Cc1c(SCc2ccc(F)cc2)nsc1SCc1ccc(F)cc1 ZINC000002190308 209350181 /nfs/dbraw/zinc/35/01/81/209350181.db2.gz FRGZYJPUULSSCZ-UHFFFAOYSA-N 0 0 390.505 5.878 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(O)c1 ZINC000002197181 209349668 /nfs/dbraw/zinc/34/96/68/209349668.db2.gz GQEAQVYOCHGIPE-ATJXCDBQSA-N 0 0 379.529 5.591 50 30 GKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCC(C)C)n2)cc1 ZINC000002119203 209347757 /nfs/dbraw/zinc/34/77/57/209347757.db2.gz WYESRCZLQUFMLH-UHFFFAOYSA-N 0 0 388.536 6.434 50 30 GKEARN O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 ZINC000002098457 209345736 /nfs/dbraw/zinc/34/57/36/209345736.db2.gz ZAVZPRHISGHJFE-AFEQLLIESA-N 0 0 396.277 5.594 50 30 GKEARN Clc1ccc(Cn2c3ccccc3nc2/N=C/c2ccccc2Cl)cc1 ZINC000001956996 209344131 /nfs/dbraw/zinc/34/41/31/209344131.db2.gz JPSNHTZRPNWEDZ-ZMOGYAJESA-N 0 0 380.278 6.142 50 30 GKEARN CCCCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000001816098 209339842 /nfs/dbraw/zinc/33/98/42/209339842.db2.gz ZELOQKDGCNYPGU-RDPSFJRHSA-N 0 0 378.560 6.716 50 30 GKEARN N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000001402960 209326375 /nfs/dbraw/zinc/32/63/75/209326375.db2.gz XUVKJUKNAWJOSA-UHFFFAOYSA-N 0 0 389.669 5.395 50 30 GKEARN COc1cccc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(Cl)cc2)c1 ZINC000001383053 209325856 /nfs/dbraw/zinc/32/58/56/209325856.db2.gz OIMIGYQZJJYPNP-UHFFFAOYSA-N 0 0 394.883 5.624 50 30 GKEARN Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)oc2cc1C ZINC000001506973 209331322 /nfs/dbraw/zinc/33/13/22/209331322.db2.gz XRVXYAHBIWHQJL-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)cc1 ZINC000001504598 209330691 /nfs/dbraw/zinc/33/06/91/209330691.db2.gz QQSBQJVTIPFQJE-YDZHTSKRSA-N 0 0 391.814 5.731 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000001148552 209306988 /nfs/dbraw/zinc/30/69/88/209306988.db2.gz PGKYTHMRHSCDLG-CLOONOSVSA-N 0 0 381.479 5.370 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000001148550 209307073 /nfs/dbraw/zinc/30/70/73/209307073.db2.gz PGKYTHMRHSCDLG-DFBJGRDBSA-N 0 0 381.479 5.370 50 30 GKEARN COc1ccc(Br)cc1/C=N/c1c(-c2ccco2)nc2ccccn21 ZINC000001105977 209300967 /nfs/dbraw/zinc/30/09/67/209300967.db2.gz QPTWHSMJFJMJIK-CIAFOILYSA-N 0 0 396.244 5.116 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000001079918 209298682 /nfs/dbraw/zinc/29/86/82/209298682.db2.gz HUNDNSHRSQXESW-AWEZNQCLSA-N 0 0 391.414 5.295 50 30 GKEARN COc1ccccc1[C@@H]1c2ccc3ncccc3c2NC2=C1C(=O)CC(C)(C)C2 ZINC000001078379 209297644 /nfs/dbraw/zinc/29/76/44/209297644.db2.gz DPUPJRVOBXOWPH-JOCHJYFZSA-N 0 0 384.479 5.444 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3[N+](=O)[O-])C12 ZINC000001074072 209297137 /nfs/dbraw/zinc/29/71/37/209297137.db2.gz WCZYGSJUTIQWNG-QFIPXVFZSA-N 0 0 386.432 5.461 50 30 GKEARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C#N)c1 ZINC000001056666 209294313 /nfs/dbraw/zinc/29/43/13/209294313.db2.gz BGYNPULFBUVRAT-UHFFFAOYSA-N 0 0 377.425 5.064 50 30 GKEARN Cc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1 ZINC000001035792 209291366 /nfs/dbraw/zinc/29/13/66/209291366.db2.gz MCKLARREWWLHRK-CIAFOILYSA-N 0 0 383.929 6.259 50 30 GKEARN N#Cc1sc(SCc2ccccc2)c2c1C[C@H](c1ccccc1)CC2=O ZINC000001037845 209291174 /nfs/dbraw/zinc/29/11/74/209291174.db2.gz OBPPNRZCYSIZAF-KRWDZBQOSA-N 0 0 375.518 5.825 50 30 GKEARN N#Cc1cccc(Oc2cccc(C(=O)OCc3ccccc3Cl)c2)c1C#N ZINC000000993109 209286346 /nfs/dbraw/zinc/28/63/46/209286346.db2.gz YBBNPXHNUIUMQU-UHFFFAOYSA-N 0 0 388.810 5.233 50 30 GKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2cc3ccccc3o2)cc1C ZINC000000945302 209282083 /nfs/dbraw/zinc/28/20/83/209282083.db2.gz YIIFJLLPSIFLFZ-UIOOFZCWSA-N 0 0 398.458 5.951 50 30 GKEARN Cc1ccc(/N=C/c2c(=O)n3ccccc3nc2Nc2ccc(C)c(C)c2)cc1C ZINC000000911112 209277632 /nfs/dbraw/zinc/27/76/32/209277632.db2.gz IODWMLUPHFFYLC-CVKSISIWSA-N 0 0 396.494 5.422 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000856562 209273332 /nfs/dbraw/zinc/27/33/32/209273332.db2.gz FOIUGCMBJJWIKV-IQGLISFBSA-N 0 0 384.454 5.805 50 30 GKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000861569 209273178 /nfs/dbraw/zinc/27/31/78/209273178.db2.gz BXDZOFTWWWREQO-JOCHJYFZSA-N 0 0 397.515 5.068 50 30 GKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1O ZINC000000833243 209270291 /nfs/dbraw/zinc/27/02/91/209270291.db2.gz IQDQTMDENMTDBV-RUZDIDTESA-N 0 0 385.463 5.618 50 30 GKEARN Cc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000709543 209262315 /nfs/dbraw/zinc/26/23/15/209262315.db2.gz SYXIJVMPCKGWHN-FNZWTVRRSA-N 0 0 380.491 5.975 50 30 GKEARN N#Cc1ccc(-c2cccs2)nc1SCc1ccc(Cl)cc1Cl ZINC000000714544 209262037 /nfs/dbraw/zinc/26/20/37/209262037.db2.gz QWVPGKLFSBNVBT-UHFFFAOYSA-N 0 0 377.321 6.281 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000710791 209261892 /nfs/dbraw/zinc/26/18/92/209261892.db2.gz GAYJOKKVLXARKJ-WNSKOXEYSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000709544 209261706 /nfs/dbraw/zinc/26/17/06/209261706.db2.gz SYXIJVMPCKGWHN-RXFWQSSRSA-N 0 0 380.491 5.975 50 30 GKEARN Cc1ccc(-c2ccc(C#N)c(SCc3cc4c(cc3Cl)OCO4)n2)cc1 ZINC000000706765 209261033 /nfs/dbraw/zinc/26/10/33/209261033.db2.gz LZPLTCVWJTUUKM-UHFFFAOYSA-N 0 0 394.883 5.603 50 30 GKEARN COc1ccc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000709585 209261462 /nfs/dbraw/zinc/26/14/62/209261462.db2.gz NOCGDTJPBHDNOL-HSZRJFAPSA-N 0 0 392.499 5.234 50 30 GKEARN CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000000680930 209258904 /nfs/dbraw/zinc/25/89/04/209258904.db2.gz AWLZPAPPRVIODB-ZVHZXABRSA-N 0 0 378.859 5.628 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cccs3)sc2C1 ZINC000000672669 209258283 /nfs/dbraw/zinc/25/82/83/209258283.db2.gz JZHARFAGUZBPOZ-QSYFUGGGSA-N 0 0 384.570 5.874 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccc3ccccc3c12 ZINC000000659169 209256156 /nfs/dbraw/zinc/25/61/56/209256156.db2.gz LTRJUGXFTYVBLO-QHCPKHFHSA-N 0 0 377.846 6.306 50 30 GKEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc2ccccc2s1 ZINC000009085387 209248107 /nfs/dbraw/zinc/24/81/07/209248107.db2.gz YADANIFZPNJNNP-UHFFFAOYSA-N 0 0 399.928 5.138 50 30 GKEARN N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000096792079 209241960 /nfs/dbraw/zinc/24/19/60/209241960.db2.gz GWTUKVRPRDVHJL-LICLKQGHSA-N 0 0 389.867 5.672 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc(Cl)cc1 ZINC000002412284 209229398 /nfs/dbraw/zinc/22/93/98/209229398.db2.gz BDSZKYKAKHZDMX-WQRHYEAKSA-N 0 0 382.824 5.237 50 30 GKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)ccc1O ZINC000000902582 209227691 /nfs/dbraw/zinc/22/76/91/209227691.db2.gz CCEMVLTVPWKCKA-VWLOTQADSA-N 0 0 399.490 5.864 50 30 biogenic GKEARN Cc1cc2ncn(/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000001886057 212258278 /nfs/dbraw/zinc/25/82/78/212258278.db2.gz YYKQMCKCXKLUCS-LGJNPRDNSA-N 0 0 377.532 5.836 50 30 GKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1C ZINC000001808886 212257039 /nfs/dbraw/zinc/25/70/39/212257039.db2.gz WKDCPSKHZHJVET-WMOWQXFYSA-N 0 0 384.504 6.112 50 30 GKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)cc1Cl ZINC000001445269 212246572 /nfs/dbraw/zinc/24/65/72/212246572.db2.gz MSYDIZWLNBEZAQ-ZMOGYAJESA-N 0 0 376.843 6.216 50 30 GKEARN Brc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000001476086 212247195 /nfs/dbraw/zinc/24/71/95/212247195.db2.gz GFTZOBVUAVBREA-LPYMAVHISA-N 0 0 376.257 5.743 50 30 GKEARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cccc(OC)c1O ZINC000001500379 212247260 /nfs/dbraw/zinc/24/72/60/212247260.db2.gz FWIHYWQJSSOHEX-ZMOGYAJESA-N 0 0 388.423 5.277 50 30 biogenic GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001441346 212245287 /nfs/dbraw/zinc/24/52/87/212245287.db2.gz DVIFPBLFBQYOIO-NRFANRHFSA-N 0 0 399.450 5.344 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001308272 212235775 /nfs/dbraw/zinc/23/57/75/212235775.db2.gz LCOBHFFHSIPTID-NRFANRHFSA-N 0 0 377.444 5.125 50 30 GKEARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3N1CCCC1 ZINC000001241487 212232203 /nfs/dbraw/zinc/23/22/03/212232203.db2.gz KAMDHDJRNQTURQ-XIEYBQDHSA-N 0 0 381.435 5.258 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000001198531 212228236 /nfs/dbraw/zinc/22/82/36/212228236.db2.gz YDHLFBGXDIWFJT-BKUYFWCQSA-N 0 0 389.432 5.503 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001203803 212227791 /nfs/dbraw/zinc/22/77/91/212227791.db2.gz IMCSTOUGZDWKJG-QFIPXVFZSA-N 0 0 398.462 5.949 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(O)ccc2ccccc21 ZINC000001192370 212227072 /nfs/dbraw/zinc/22/70/72/212227072.db2.gz CHOZSSSKKCJHKA-XMMPIXPASA-N 0 0 384.479 5.767 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000001127452 212220506 /nfs/dbraw/zinc/22/05/06/212220506.db2.gz IOSAUCJIRRBEFO-GFCCVEGCSA-N 0 0 396.899 5.910 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(Cl)cc1 ZINC000001102347 212216837 /nfs/dbraw/zinc/21/68/37/212216837.db2.gz VLDGSSHAIMYNBX-QHCPKHFHSA-N 0 0 388.898 6.198 50 30 GKEARN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(F)c2C#C[Si](C)(C)C ZINC000169794190 209184268 /nfs/dbraw/zinc/18/42/68/209184268.db2.gz DQSQFVRJMSFYEU-UHFFFAOYSA-N 0 0 388.679 6.428 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000001079528 212215428 /nfs/dbraw/zinc/21/54/28/212215428.db2.gz XPMWCWZZJFBEMV-HNNXBMFYSA-N 0 0 391.414 5.295 50 30 GKEARN COc1cc(/C=N/c2ccc(-c3ccc(O)cc3)cc2)cc(Br)c1O ZINC000001085060 212214853 /nfs/dbraw/zinc/21/48/53/212214853.db2.gz FQLRNFUXWOPYGV-WSDLNYQXSA-N 0 0 398.256 5.287 50 30 GKEARN Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000001072427 212214237 /nfs/dbraw/zinc/21/42/37/212214237.db2.gz UAZMHNSSVCZPBU-UHFFFAOYSA-N 0 0 377.831 5.268 50 30 GKEARN Oc1ccccc1C=Nc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000001057387 212210620 /nfs/dbraw/zinc/21/06/20/212210620.db2.gz UFVXEUKHBVWKPO-FOKLQQMPSA-N 0 0 382.250 5.993 50 30 GKEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc3ccccc3c1)CCCCC2 ZINC000001010042 212204008 /nfs/dbraw/zinc/20/40/08/212204008.db2.gz HHKVHJQIPGAHAD-UHFFFAOYSA-N 0 0 387.508 5.106 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C)o3)sc2C1 ZINC000000996638 212202780 /nfs/dbraw/zinc/20/27/80/212202780.db2.gz IVPAZHHPOHGJSP-GDXASINISA-N 0 0 382.529 5.714 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(Br)c3)sc2C1 ZINC000000994628 212202590 /nfs/dbraw/zinc/20/25/90/212202590.db2.gz YNXWIJIRLHJRJF-LLVKDONJSA-N 0 0 389.318 5.149 50 30 GKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccc(Br)cc1 ZINC000000975641 212201555 /nfs/dbraw/zinc/20/15/55/212201555.db2.gz RDGWCXVJWPKMJD-RGVLZGJSSA-N 0 0 386.318 5.691 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3C(C)(C)C)sc2C1 ZINC000000947398 212198376 /nfs/dbraw/zinc/19/83/76/212198376.db2.gz JYYDKIXRNQJWQU-AWEZNQCLSA-N 0 0 382.529 5.060 50 30 GKEARN COC(=O)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000000912728 212195817 /nfs/dbraw/zinc/19/58/17/212195817.db2.gz NGKIFXDWBMJNPB-QHCPKHFHSA-N 0 0 399.471 5.340 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000856583 212189893 /nfs/dbraw/zinc/18/98/93/212189893.db2.gz SZRHPNBUNPFIFI-SSOJOUAXSA-N 0 0 384.454 5.805 50 30 GKEARN COc1cccc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O ZINC000000826373 212187349 /nfs/dbraw/zinc/18/73/49/212187349.db2.gz RSVDARUVBZWMNP-ZVHZXABRSA-N 0 0 387.439 5.026 50 30 GKEARN O=C(Nc1cccc(/N=C/c2ccccc2O)c1)c1ccc(Cl)cc1Cl ZINC000000805579 212183896 /nfs/dbraw/zinc/18/38/96/212183896.db2.gz MKHYNRJLLGOYQG-FSJBWODESA-N 0 0 385.250 5.702 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc([N+](=O)[O-])o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000812843 212183976 /nfs/dbraw/zinc/18/39/76/212183976.db2.gz ZJBQOARWOBPMGC-FQEVSTJZSA-N 0 0 381.432 5.027 50 30 GKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000796455 212183142 /nfs/dbraw/zinc/18/31/42/212183142.db2.gz FXBPFRDRRMKPKU-HSZRJFAPSA-N 0 0 392.499 5.240 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1[N+](=O)[O-])Nc1cc3ccccc3cc12 ZINC000000727422 212178016 /nfs/dbraw/zinc/17/80/16/212178016.db2.gz VICGYDVSIBUOFV-DEOSSOPVSA-N 0 0 398.462 6.058 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000710790 212176919 /nfs/dbraw/zinc/17/69/19/212176919.db2.gz GAYJOKKVLXARKJ-IQMFZBJNSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000000718062 212176928 /nfs/dbraw/zinc/17/69/28/212176928.db2.gz QPOWVLHAWKZWSG-RCDICMHDSA-N 0 0 376.481 5.629 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000000756509 212179475 /nfs/dbraw/zinc/17/94/75/212179475.db2.gz KERNZZBEJXHXKW-IENJSVCTSA-N 0 0 389.455 5.157 50 30 GKEARN O=C1CCCC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccc3ccccc3c12 ZINC000000659170 212170624 /nfs/dbraw/zinc/17/06/24/212170624.db2.gz LTRJUGXFTYVBLO-HSZRJFAPSA-N 0 0 377.846 6.306 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 ZINC000000695801 212175375 /nfs/dbraw/zinc/17/53/75/212175375.db2.gz ZNKOYPSJHONJJY-QMMMGPOBSA-N 0 0 379.740 5.079 50 30 GKEARN CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000677598 212173666 /nfs/dbraw/zinc/17/36/66/212173666.db2.gz BMATVWGIWQAWLK-AREMUKBSSA-N 0 0 397.518 6.548 50 30 GKEARN CSc1ccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1 ZINC000000671958 212172663 /nfs/dbraw/zinc/17/26/63/212172663.db2.gz QJLJMDBQYLNKQL-YDZHTSKRSA-N 0 0 380.538 5.219 50 30 GKEARN N#C[C@@]1(Cc2ccc(Cl)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000629044 212166261 /nfs/dbraw/zinc/16/62/61/212166261.db2.gz OOAILIORQKTLIT-DEOSSOPVSA-N 0 0 384.866 5.428 50 30 aggregator GKEARN O=C1c2ccc(OCc3c(Cl)cccc3Cl)cc2O/C1=C\c1cccnc1 ZINC000005149362 212145923 /nfs/dbraw/zinc/14/59/23/212145923.db2.gz YWPOFDQDPQUSOS-UKWGHVSLSA-N 0 0 398.245 5.584 50 30 GKEARN O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1ccncc1 ZINC000005157838 212145737 /nfs/dbraw/zinc/14/57/37/212145737.db2.gz LPMWJWVHULHIHR-JMIUGGIZSA-N 0 0 398.245 5.584 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000001293542 212144045 /nfs/dbraw/zinc/14/40/45/212144045.db2.gz LGOYQBBPCORYTC-CJAUYULYSA-N 0 0 397.478 5.070 50 30 biogenic GKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@H]2C1 ZINC000257349499 212140439 /nfs/dbraw/zinc/14/04/39/212140439.db2.gz OMXMJJANSZPKPZ-WJJNCYCNSA-N 0 0 384.692 8.664 50 30 GKEARN C(=N/c1ccc(Oc2ccc(/N=C/c3cccs3)cc2)cc1)\c1cccs1 ZINC000002164353 212102129 /nfs/dbraw/zinc/10/21/29/212102129.db2.gz PKDKWXGXBXHDCK-DFEHQXHXSA-N 0 0 388.517 7.103 50 30 GKEARN C=C(C)Cn1c(SCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002095990 212101832 /nfs/dbraw/zinc/10/18/32/212101832.db2.gz FEEFNVOSQHNXDQ-UHFFFAOYSA-N 0 0 394.584 5.747 50 30 biogenic GKEARN C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002275948 212101548 /nfs/dbraw/zinc/10/15/48/212101548.db2.gz AKSJXQCUUIWGNY-CYBMUJFWSA-N 0 0 376.591 5.297 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000001782274 212101247 /nfs/dbraw/zinc/10/12/47/212101247.db2.gz SEEOZNILNDGBHS-UYRXBGFRSA-N 0 0 381.522 5.274 50 30 GKEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1 ZINC000001179252 212099680 /nfs/dbraw/zinc/09/96/80/212099680.db2.gz HANUJNXXQFBSPR-UHFFFAOYSA-N 0 0 394.500 5.106 50 30 GKEARN C=CCn1c(SCc2c(C)cc(C)cc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001142520 212099296 /nfs/dbraw/zinc/09/92/96/212099296.db2.gz RUMROEJRHLLAMS-UHFFFAOYSA-N 0 0 394.500 5.257 50 30 GKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001075399 212099302 /nfs/dbraw/zinc/09/93/02/212099302.db2.gz UHMOPCRHAKMVIT-CQSZACIVSA-N 0 0 382.554 5.061 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc2ncccc2c1 ZINC000001040297 212100392 /nfs/dbraw/zinc/10/03/92/212100392.db2.gz GOIVMMFDYHUZPX-UHFFFAOYSA-N 0 0 392.915 5.625 50 30 GKEARN C=CCN1C(=O)C2=C(CCCC2)[C@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009668424 212095778 /nfs/dbraw/zinc/09/57/78/212095778.db2.gz CJLXFHYFHJJWOY-VWLOTQADSA-N 0 0 398.506 5.783 50 30 GKEARN C#CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000004694893 212080314 /nfs/dbraw/zinc/08/03/14/212080314.db2.gz DXXRDKFMJJAZGZ-QNGOZBTKSA-N 0 0 385.444 5.093 50 30 GKEARN C=CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883127 212080319 /nfs/dbraw/zinc/08/03/19/212080319.db2.gz SMJBYFIFCAOFDP-QGOAFFKASA-N 0 0 398.915 5.320 50 30 GKEARN C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000004739559 212080037 /nfs/dbraw/zinc/08/00/37/212080037.db2.gz FTSHXRVYOXDJDD-VWLOTQADSA-N 0 0 394.474 5.575 50 30 GKEARN C=C[C@](C)(CC[C@@H]1[C@](C)(OC(C)=O)CC[C@@H]2C(C)(C)CCC[C@@]21C)OC(C)=O ZINC000004680690 212079664 /nfs/dbraw/zinc/07/96/64/212079664.db2.gz JRCDNYSMCYLMMV-MRQKEVAZSA-N 0 0 392.580 5.839 50 30 GKEARN CCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@@H]1C#Cc1ccccc1 ZINC000004043708 212077335 /nfs/dbraw/zinc/07/73/35/212077335.db2.gz HUARWLYNUUIUIX-NDEPHWFRSA-N 0 0 386.498 6.036 50 30 GKEARN C=CCSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)c(Cl)c1 ZINC000004144618 212031279 /nfs/dbraw/zinc/03/12/79/212031279.db2.gz OGWDZMINRHMHTC-UHFFFAOYSA-N 0 0 396.730 6.173 50 30 GKEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000004033262 203752302 /nfs/dbraw/zinc/75/23/02/203752302.db2.gz SQROFTLFGIVBBC-INIZCTEOSA-N 0 0 379.891 5.095 50 30 GKEARN C=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1-c1ccccc1 ZINC000008657015 203773437 /nfs/dbraw/zinc/77/34/37/203773437.db2.gz BNXYNGFQNAZQOI-UHFFFAOYSA-N 0 0 393.541 5.021 50 30 GKEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000006826775 203827481 /nfs/dbraw/zinc/82/74/81/203827481.db2.gz SPJYVDPBPZWLAP-IUXPMGMMSA-N 0 0 377.223 5.171 50 30 GKEARN C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)/C(=N/c2ccccc2Cl)S1 ZINC000000721893 203849987 /nfs/dbraw/zinc/84/99/87/203849987.db2.gz TUONMUGIBGMEPN-ASYXDDPXSA-N 0 0 380.300 5.650 50 30 GKEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000831801 203856986 /nfs/dbraw/zinc/85/69/86/203856986.db2.gz SESQMGWQCSDLAE-JTQLQIEISA-N 0 0 395.311 5.211 50 30 GKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CC(C)(C)C ZINC000001049237 203877100 /nfs/dbraw/zinc/87/71/00/203877100.db2.gz POBGAEZFYPKFMI-QGZVFWFLSA-N 0 0 389.326 6.332 50 30 GKEARN COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000001954959 203923955 /nfs/dbraw/zinc/92/39/55/203923955.db2.gz LNYWYXCRFDZGRN-WPWMEQJKSA-N 0 0 378.431 6.244 50 30 GKEARN CCCCCCCCCCCC1N=NC(=S)N1c1ccccc1C(F)(F)F ZINC000002147658 203928596 /nfs/dbraw/zinc/92/85/96/203928596.db2.gz QTDLPVFLSNWEIY-UHFFFAOYSA-N 0 0 399.526 6.648 50 30 GKEARN Clc1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 ZINC000002756845 203960986 /nfs/dbraw/zinc/96/09/86/203960986.db2.gz RCTOYXPLKIBHLY-DFJXIDDLSA-N 0 0 393.273 7.217 50 30 GKEARN FC(F)(F)Oc1ccc(NN=Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000004324221 204037599 /nfs/dbraw/zinc/03/75/99/204037599.db2.gz GAHVRNWOUBHATC-HCGXMYGOSA-N 0 0 383.679 5.098 50 30 GKEARN CCCCCCCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1O ZINC000003643097 204017387 /nfs/dbraw/zinc/01/73/87/204017387.db2.gz UAHIDIZONXHROX-MRXNPFEDSA-N 0 0 385.939 6.539 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000003666952 204018795 /nfs/dbraw/zinc/01/87/95/204018795.db2.gz GGPZJUQRRBXKAB-BKUYFWCQSA-N 0 0 378.880 6.249 50 30 GKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000004032158 204023661 /nfs/dbraw/zinc/02/36/61/204023661.db2.gz OJMCCNQNCSCAJV-RVDMUPIBSA-N 0 0 395.458 5.408 50 30 in-vitro GKEARN Cc1ccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000004024652 204024366 /nfs/dbraw/zinc/02/43/66/204024366.db2.gz RTQPJVNHDHTDHI-DHRITJCHSA-N 0 0 393.849 5.653 50 30 GKEARN Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000004040852 204025763 /nfs/dbraw/zinc/02/57/63/204025763.db2.gz AWAVUXZTOZFZLY-OAHLLOKOSA-N 0 0 382.529 5.194 50 30 GKEARN CCc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004066021 204026220 /nfs/dbraw/zinc/02/62/20/204026220.db2.gz WADXECQUQHAXAC-QHCPKHFHSA-N 0 0 393.527 5.093 50 30 GKEARN N#Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000004071290 204026287 /nfs/dbraw/zinc/02/62/87/204026287.db2.gz HXMXHHOLBYIZFE-UHFFFAOYSA-N 0 0 380.281 5.302 50 30 GKEARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1cccs1)C2=O ZINC000004082634 204026749 /nfs/dbraw/zinc/02/67/49/204026749.db2.gz IWWSCPLMANPYFX-VQAWOUTFSA-N 0 0 382.569 5.634 50 30 biogenic GKEARN O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000004177005 204030814 /nfs/dbraw/zinc/03/08/14/204030814.db2.gz ZBEFVXKNCMFWEU-GIJQJNRQSA-N 0 0 388.246 5.231 50 30 GKEARN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000004181728 204031064 /nfs/dbraw/zinc/03/10/64/204031064.db2.gz DBKKKIRVRISFJD-QEZKPBDHSA-N 0 0 394.518 6.581 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004180673 204031448 /nfs/dbraw/zinc/03/14/48/204031448.db2.gz RKVUDPYXSDNHIF-NRFANRHFSA-N 0 0 389.524 5.443 50 30 GKEARN COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1O ZINC000004699536 204065422 /nfs/dbraw/zinc/06/54/22/204065422.db2.gz ZDUGSCABSPGWFG-BUVRLJJBSA-N 0 0 386.476 5.942 50 30 GKEARN N#CCCn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000004718351 204068492 /nfs/dbraw/zinc/06/84/92/204068492.db2.gz BVGRMVJKBLBHQL-UHFFFAOYSA-N 0 0 378.067 5.233 50 30 GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(Cl)c1 ZINC000004740369 204071698 /nfs/dbraw/zinc/07/16/98/204071698.db2.gz OFHUNHYLXSHYJE-QOVDMSNSSA-N 0 0 382.891 5.492 50 30 GKEARN CC[C@@]1(C)C[C@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 ZINC000004805421 204076565 /nfs/dbraw/zinc/07/65/65/204076565.db2.gz XTRWYLUNPNUULW-FKQRJVGQSA-N 0 0 381.516 5.127 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000004809604 204077006 /nfs/dbraw/zinc/07/70/06/204077006.db2.gz FNYGJENOJHPYQU-ZSEKCTLFSA-N 0 0 387.464 5.107 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000004817155 204078540 /nfs/dbraw/zinc/07/85/40/204078540.db2.gz KGIANOGIIUBHBP-HXUWFJFHSA-N 0 0 386.417 5.927 50 30 GKEARN CC(C)(C)C1C/C(=C\c2cccc(Cl)c2)C(=O)/C(=C/c2cccc(Cl)c2)C1 ZINC000004826408 204078915 /nfs/dbraw/zinc/07/89/15/204078915.db2.gz CSQGKAIOWPDDFQ-XOBNHNQQSA-N 0 0 399.361 7.486 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccco4)on3)sc2C1 ZINC000004881124 204085376 /nfs/dbraw/zinc/08/53/76/204085376.db2.gz GACVMHWCVVIXCG-LBPRGKRZSA-N 0 0 395.484 5.271 50 30 GKEARN CC(=NNc1ccc(Br)cc1)c1ccc2c(c1)c1ccccc1n2C ZINC000004561491 204053776 /nfs/dbraw/zinc/05/37/76/204053776.db2.gz SHKVEAOETGNVPO-OEAKJJBVSA-N 0 0 392.300 5.930 50 30 GKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000004580533 204055094 /nfs/dbraw/zinc/05/50/94/204055094.db2.gz PQOONWXYKHRVJH-DQEYMECFSA-N 0 0 397.478 5.120 50 30 aggregator GKEARN CCc1ccccc1/N=C1\S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CC ZINC000004664457 204060688 /nfs/dbraw/zinc/06/06/88/204060688.db2.gz JSKKPHPMTMDQPI-POHNCSCLSA-N 0 0 375.497 5.354 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000005092448 204110484 /nfs/dbraw/zinc/11/04/84/204110484.db2.gz WWAVCBOISREDOL-AVRWGWEMSA-N 0 0 382.463 5.372 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000005100844 204111011 /nfs/dbraw/zinc/11/10/11/204111011.db2.gz SEONDMUAXCMQED-QHCPKHFHSA-N 0 0 392.474 5.379 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1c[nH]c2ccccc21 ZINC000005190635 204117260 /nfs/dbraw/zinc/11/72/60/204117260.db2.gz IEDJALRKDYLWIL-QFIPXVFZSA-N 0 0 391.902 6.043 50 30 GKEARN CC(=O)Nc1sc(N=NCc2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC000004956195 204096517 /nfs/dbraw/zinc/09/65/17/204096517.db2.gz GFTQANQBNGICHC-SRZZPIQSSA-N 0 0 384.892 5.176 50 30 GKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccco1 ZINC000004973577 204098397 /nfs/dbraw/zinc/09/83/97/204098397.db2.gz FEUJNMKRKRKATF-OWJWWREXSA-N 0 0 386.451 5.268 50 30 GKEARN COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3Cl)sc2C)cc1 ZINC000006200817 204170053 /nfs/dbraw/zinc/17/00/53/204170053.db2.gz OSDCNGOXAFEFMV-UFFVCSGVSA-N 0 0 377.296 6.185 50 30 GKEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000006048021 204163521 /nfs/dbraw/zinc/16/35/21/204163521.db2.gz GTBRQVSBCCMQBT-UXBLZVDNSA-N 0 0 375.811 5.716 50 30 GKEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 ZINC000005531893 204138286 /nfs/dbraw/zinc/13/82/86/204138286.db2.gz JTBOJYLQZMIXQH-UYRXBGFRSA-N 0 0 393.899 5.331 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3C)sc2C1 ZINC000005614584 204142790 /nfs/dbraw/zinc/14/27/90/204142790.db2.gz FAJXBIGYEZBVJN-MRXNPFEDSA-N 0 0 396.556 5.487 50 30 GKEARN CC(=Cc1ccccc1)C=C1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O ZINC000006780313 204204115 /nfs/dbraw/zinc/20/41/15/204204115.db2.gz JUQFGVQOLJBRKI-NEOBQEPSSA-N 0 0 388.414 6.384 50 30 GKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1 ZINC000006783356 204204280 /nfs/dbraw/zinc/20/42/80/204204280.db2.gz BPXODAZMRRMRHY-UHFFFAOYSA-N 0 0 384.483 5.762 50 30 GKEARN Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 ZINC000006824914 204212874 /nfs/dbraw/zinc/21/28/74/204212874.db2.gz ACLLOECYHICEAT-ROUUACIJSA-N 0 0 392.911 5.991 50 30 GKEARN COc1ccccc1C=C1SC(=Nc2cccc(Br)c2)NC1=O ZINC000006848945 204215490 /nfs/dbraw/zinc/21/54/90/204215490.db2.gz YXIRZNVLHHHCDZ-DHDCSXOGSA-N 0 0 389.274 5.190 50 30 GKEARN COc1ccccc1[C@@H]1N(c2ccccc2)OC(=O)N1c1ccc(Cl)cc1 ZINC000006259590 204172343 /nfs/dbraw/zinc/17/23/43/204172343.db2.gz MODJJYIXHPUCDQ-FQEVSTJZSA-N 0 0 380.831 5.426 50 30 GKEARN N#C[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000006530086 204182247 /nfs/dbraw/zinc/18/22/47/204182247.db2.gz HCYFSMAEWOXBOE-GOTSBHOMSA-N 0 0 382.423 5.011 50 30 GKEARN Cc1cc(Nc2cccc(NC(=O)C(C)C)c2)n2c3ccccc3nc2c1C#N ZINC000006953431 204227654 /nfs/dbraw/zinc/22/76/54/204227654.db2.gz CCOBPJFZHFMGQW-UHFFFAOYSA-N 0 0 383.455 5.006 50 30 GKEARN Fc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccccc1C(F)(F)F ZINC000006971745 204227991 /nfs/dbraw/zinc/22/79/91/204227991.db2.gz ZQONTSXNWJTYFX-UHFFFAOYSA-N 0 0 382.304 5.672 50 30 GKEARN COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000008657283 204283205 /nfs/dbraw/zinc/28/32/05/204283205.db2.gz QAAHNNKLTHVYJH-WPWMEQJKSA-N 0 0 397.522 6.141 50 30 GKEARN Cc1cc2cc(CNC(=S)Nc3ccc(OC(F)(F)F)cc3)ccc2n1C ZINC000008685195 204283624 /nfs/dbraw/zinc/28/36/24/204283624.db2.gz FYRHXVUTHCYMKL-UHFFFAOYSA-N 0 0 393.434 5.283 50 30 aggregator GKEARN COc1ccc(-c2nc(CSc3nc(C)cc(C)c3C#N)cs2)cc1OC ZINC000008726874 204286262 /nfs/dbraw/zinc/28/62/62/204286262.db2.gz CLXBVWIULPDFFH-UHFFFAOYSA-N 0 0 397.525 5.003 50 30 GKEARN C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008746074 204287731 /nfs/dbraw/zinc/28/77/31/204287731.db2.gz HMZVYCMARCVULF-LBPRGKRZSA-N 0 0 397.525 5.149 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009015466 204296326 /nfs/dbraw/zinc/29/63/26/204296326.db2.gz ZSELYWTVVTWEEM-FQEVSTJZSA-N 0 0 389.838 5.123 50 30 GKEARN Cc1nn2c(c1-c1ccccc1)N=C1CCCC(=O)C1[C@@H]2c1ccc(Cl)cc1 ZINC000008559374 204279668 /nfs/dbraw/zinc/27/96/68/204279668.db2.gz HMFHATXBTNGIKY-QFIPXVFZSA-N 0 0 389.886 5.534 50 30 GKEARN COC(=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 ZINC000012249718 204388297 /nfs/dbraw/zinc/38/82/97/204388297.db2.gz YDCVLESYDXQXAW-UHFFFAOYSA-N 0 0 394.883 5.353 50 30 GKEARN CCCc1cc(SCc2ccccc2Cl)n2c3ccccc3nc2c1C#N ZINC000012689808 204436568 /nfs/dbraw/zinc/43/65/68/204436568.db2.gz XUVPWORIJVLIAX-UHFFFAOYSA-N 0 0 391.927 6.257 50 30 GKEARN N#Cc1c2c(sc1NC(=O)CSc1ccc3ccccc3n1)CCCCC2 ZINC000012542418 204420509 /nfs/dbraw/zinc/42/05/09/204420509.db2.gz LSLXAMNYPURKQM-UHFFFAOYSA-N 0 0 393.537 5.168 50 30 GKEARN N#Cc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1 ZINC000013150397 204484138 /nfs/dbraw/zinc/48/41/38/204484138.db2.gz ZHMQYYSDRWPCQI-UHFFFAOYSA-N 0 0 380.403 5.337 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 ZINC000002451778 209171565 /nfs/dbraw/zinc/17/15/65/209171565.db2.gz KASWYOHJOASFEN-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 ZINC000002314950 209170735 /nfs/dbraw/zinc/17/07/35/209170735.db2.gz IKHIHRCFPDVXJA-UHFFFAOYSA-N 0 0 390.574 5.093 50 30 GKEARN C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002275947 209168967 /nfs/dbraw/zinc/16/89/67/209168967.db2.gz AKSJXQCUUIWGNY-ZDUSSCGKSA-N 0 0 376.591 5.297 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000001833122 209168784 /nfs/dbraw/zinc/16/87/84/209168784.db2.gz WPTBZGJNDQTRHE-ATVHPVEESA-N 0 0 387.913 5.311 50 30 GKEARN C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002299960 209168406 /nfs/dbraw/zinc/16/84/06/209168406.db2.gz SKDMEBMYFMNFMB-OAHLLOKOSA-N 0 0 396.581 5.104 50 30 GKEARN C=C(C)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1C#N ZINC000008843603 209160884 /nfs/dbraw/zinc/16/08/84/209160884.db2.gz SLGRZZNOWARZKF-UHFFFAOYSA-N 0 0 394.418 5.324 50 30 GKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000018222379 204619966 /nfs/dbraw/zinc/61/99/66/204619966.db2.gz NFFVMRYVYGTVBG-DVECYGJZSA-N 0 0 398.510 5.126 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000096479847 211969539 /nfs/dbraw/zinc/96/95/39/211969539.db2.gz LJMNUDDGSQWHON-OVHOFWQVSA-N 0 0 392.568 6.084 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCC[C@@H](C)C4)o3)o2)c1 ZINC000033027155 204940186 /nfs/dbraw/zinc/94/01/86/204940186.db2.gz BHIDLTOTRWFAJX-MRXNPFEDSA-N 0 0 391.471 5.238 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C)cc1 ZINC000005477867 209140109 /nfs/dbraw/zinc/14/01/09/209140109.db2.gz XTWUWWHHDVHWEH-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004883239 209139960 /nfs/dbraw/zinc/13/99/60/209139960.db2.gz FLRHWUPYWSTNBI-WQRHYEAKSA-N 0 0 386.879 5.450 50 30 GKEARN C=CCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCC=C)cc2)cc1 ZINC000004947784 209139813 /nfs/dbraw/zinc/13/98/13/209139813.db2.gz CPSCWSHCXCSPSW-UHFFFAOYSA-N 0 0 376.500 5.943 50 30 GKEARN C=CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(C)cc1)c2=O ZINC000004056484 209138768 /nfs/dbraw/zinc/13/87/68/209138768.db2.gz WBFZDMWIDFOAOV-UHFFFAOYSA-N 0 0 376.330 5.477 50 30 GKEARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C#N)c2c3ccccc3ccn12 ZINC000004542292 209138385 /nfs/dbraw/zinc/13/83/85/209138385.db2.gz XPLONQUUEXAJAD-UHFFFAOYSA-N 0 0 395.506 6.463 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 ZINC000004477232 209137849 /nfs/dbraw/zinc/13/78/49/209137849.db2.gz CZLXTNLRRWOGRY-JWHUVLAVSA-N 0 0 388.496 5.051 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000054363664 205139458 /nfs/dbraw/zinc/13/94/58/205139458.db2.gz OSBGJXRVOHKOPW-UHFFFAOYSA-N 0 0 376.325 5.592 50 30 GKEARN Cc1c2ccccc2sc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000057089634 205153292 /nfs/dbraw/zinc/15/32/92/205153292.db2.gz VPBKNZJNDQNEKA-UHFFFAOYSA-N 0 0 399.475 5.829 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000062238216 205185960 /nfs/dbraw/zinc/18/59/60/205185960.db2.gz ULCZGKYHRYJXAU-UHFFFAOYSA-N 0 0 396.744 9.751 50 30 biogenic,in-vitro GKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C/c3cccs3)cc2)c(C)c1 ZINC000091302284 205411517 /nfs/dbraw/zinc/41/15/17/205411517.db2.gz MFUHURBKYKXFOC-FYJGNVAPSA-N 0 0 385.510 5.192 50 30 GKEARN Cc1cccc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000004279863 205742597 /nfs/dbraw/zinc/74/25/97/205742597.db2.gz APTXIHPPAUFKPC-JOCHJYFZSA-N 0 0 398.510 5.220 50 30 GKEARN CCC1C/C(=C\c2c(C)cc(C)cc2C)C(=O)/C(=C\c2c(C)cc(C)cc2C)C1 ZINC000015913015 205902579 /nfs/dbraw/zinc/90/25/79/205902579.db2.gz RHPIHDULCBCKHD-QTCLYGBFSA-N 0 0 386.579 7.393 50 30 GKEARN C=CCc1cccc2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c(=O)oc21 ZINC000004175847 206227895 /nfs/dbraw/zinc/22/78/95/206227895.db2.gz BALIZQPDSBRDCW-UHFFFAOYSA-N 0 0 393.527 5.629 50 30 biogenic GKEARN C=CCNC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000005051582 206228573 /nfs/dbraw/zinc/22/85/73/206228573.db2.gz VFLKRZOEXXDZJG-UHFFFAOYSA-N 0 0 378.435 5.397 50 30 GKEARN O=C1Nc2ccccc2/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000005738900 206218016 /nfs/dbraw/zinc/21/80/16/206218016.db2.gz VRCXBEWJMNQQJX-LSHDLFTRSA-N 0 0 384.222 5.029 50 30 GKEARN C#CCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 ZINC000005111328 206228937 /nfs/dbraw/zinc/22/89/37/206228937.db2.gz MSMZMEDBVQNSAA-UHFFFAOYSA-N 0 0 392.568 5.050 50 30 GKEARN C=CCn1c(SCc2ccc(C)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000005100667 206229379 /nfs/dbraw/zinc/22/93/79/206229379.db2.gz WMJMPABEIYEIRG-UHFFFAOYSA-N 0 0 382.554 5.124 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)cc1 ZINC000001822950 206248246 /nfs/dbraw/zinc/24/82/46/206248246.db2.gz FQMDXOZTDWTLKI-RGEXLXHISA-N 0 0 397.521 5.056 50 30 GKEARN C=C(C)Cn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001822711 206248271 /nfs/dbraw/zinc/24/82/71/206248271.db2.gz KVAOLEAOXZYCGQ-UHFFFAOYSA-N 0 0 394.584 5.745 50 30 GKEARN C=CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001777086 206248342 /nfs/dbraw/zinc/24/83/42/206248342.db2.gz CBOLXJRGWDJQHK-UHFFFAOYSA-N 0 0 394.423 5.584 50 30 GKEARN C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002066431 206248926 /nfs/dbraw/zinc/24/89/26/206248926.db2.gz LTVRMYOBGSFANV-CQSZACIVSA-N 0 0 390.618 5.687 50 30 GKEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C1=O ZINC000002080738 206249132 /nfs/dbraw/zinc/24/91/32/206249132.db2.gz ZLVYYZYUIBZVDJ-RCCKNPSSSA-N 0 0 392.524 5.106 50 30 GKEARN C=C(C)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1 ZINC000002232630 206249587 /nfs/dbraw/zinc/24/95/87/206249587.db2.gz WKNRBBTYVUHIJG-UHFFFAOYSA-N 0 0 393.556 5.909 50 30 GKEARN C=CCc1c(C)nc2sc(C(=O)Nc3cccc4ccccc43)c(N)c2c1C ZINC000002205189 206250019 /nfs/dbraw/zinc/25/00/19/206250019.db2.gz XZPYOKJNMLRVDW-UHFFFAOYSA-N 0 0 387.508 5.629 50 30 GKEARN C=CCn1c(SCc2ccccc2Cl)nc2sc(C)c(C)c2c1=O ZINC000002220920 206250057 /nfs/dbraw/zinc/25/00/57/206250057.db2.gz ZIDSMRLZFCWMQI-UHFFFAOYSA-N 0 0 376.934 5.207 50 30 GKEARN C=CCSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002341792 206250154 /nfs/dbraw/zinc/25/01/54/206250154.db2.gz PVTLUEYBNUQPRC-UHFFFAOYSA-N 0 0 380.557 5.356 50 30 GKEARN C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002331436 206250175 /nfs/dbraw/zinc/25/01/75/206250175.db2.gz RMSGVQJHIXPMAP-UHFFFAOYSA-N 0 0 396.581 5.548 50 30 GKEARN C=CCSC1=N/C(=C/c2ccc(OCC)cc2)C(=O)N1c1cccc(C)c1 ZINC000020442915 206252787 /nfs/dbraw/zinc/25/27/87/206252787.db2.gz GQIUXDAVWFIHGI-HMMYKYKNSA-N 0 0 378.497 5.057 50 30 GKEARN CCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000004973885 211560169 /nfs/dbraw/zinc/56/01/69/211560169.db2.gz OHQOLFYVGAZDOH-LXYRJJAWSA-N 0 0 399.947 5.283 50 30 GKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1c(F)cccc1Cl ZINC000002211539 206292226 /nfs/dbraw/zinc/29/22/26/206292226.db2.gz KNPMJOMWOKAUOZ-NHDPSOOVSA-N 0 0 398.792 5.813 50 30 GKEARN CC(C)(C)C1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000000639796 206311220 /nfs/dbraw/zinc/31/12/20/206311220.db2.gz CJMACKRTUQGTDT-UHFFFAOYSA-N 0 0 376.500 6.142 50 30 GKEARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000648021 206311947 /nfs/dbraw/zinc/31/19/47/206311947.db2.gz QDPDMGZCWMXMCS-YJYMSZOUSA-N 0 0 382.529 5.158 50 30 GKEARN C[C@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 ZINC000000663878 206314198 /nfs/dbraw/zinc/31/41/98/206314198.db2.gz BGMWHPVMSKBVNT-NSHDSACASA-N 0 0 380.410 5.528 50 30 GKEARN O=C(c1ccccc1)c1ccc2c(c1)N[C@H](c1ccco1)C1=C(CCCC1=O)N2 ZINC000000681779 206316170 /nfs/dbraw/zinc/31/61/70/206316170.db2.gz HTGVFDIRYNLTDJ-HSZRJFAPSA-N 0 0 384.435 5.096 50 30 GKEARN Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000709529 206317938 /nfs/dbraw/zinc/31/79/38/206317938.db2.gz GJZHLJMWIVFNSU-NIYFSFCBSA-N 0 0 380.491 5.975 50 30 GKEARN CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2)ccc1O ZINC000000714052 206319104 /nfs/dbraw/zinc/31/91/04/206319104.db2.gz DINFUCDBVOLTDK-ZVHZXABRSA-N 0 0 391.858 5.510 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Cl ZINC000000826152 206324936 /nfs/dbraw/zinc/32/49/36/206324936.db2.gz RGUZZJWWYDIHNL-UHFFFAOYSA-N 0 0 384.903 5.740 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 ZINC000000974252 206338079 /nfs/dbraw/zinc/33/80/79/206338079.db2.gz UFGIYFPSYNNRJK-AFMDSPMNSA-N 0 0 396.490 5.680 50 30 GKEARN O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000000979862 206338134 /nfs/dbraw/zinc/33/81/34/206338134.db2.gz GYONDRBBSNEUSG-QFGKFHJGSA-N 0 0 394.883 5.737 50 30 GKEARN N#Cc1c(Br)cc(-c2ccccc2)nc1SCc1ccccc1F ZINC000001028023 206343184 /nfs/dbraw/zinc/34/31/84/206343184.db2.gz NQDQBORRTUDNCM-UHFFFAOYSA-N 0 0 399.288 5.814 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccccc1F ZINC000001029521 206343309 /nfs/dbraw/zinc/34/33/09/206343309.db2.gz GCHPAYBOAQQVJX-UHFFFAOYSA-N 0 0 388.389 6.070 50 30 GKEARN Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 ZINC000001032094 206343360 /nfs/dbraw/zinc/34/33/60/206343360.db2.gz GFZYQKMEJHELRA-BRJLIKDPSA-N 0 0 375.321 6.093 50 30 GKEARN CSc1sc(C(=O)Nc2ccc(F)cc2F)c(-c2cccs2)c1C#N ZINC000001037548 206344595 /nfs/dbraw/zinc/34/45/95/206344595.db2.gz UXEIECRMDOUGAW-UHFFFAOYSA-N 0 0 392.477 5.601 50 30 GKEARN Brc1ccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000001055549 206346676 /nfs/dbraw/zinc/34/66/76/206346676.db2.gz QOFYIMSYMSYNBL-LPYMAVHISA-N 0 0 376.257 5.743 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)c1c(ccc3ncccc31)N2 ZINC000001069529 206348054 /nfs/dbraw/zinc/34/80/54/206348054.db2.gz PCPWFMCOIWRZIH-NRFANRHFSA-N 0 0 394.396 5.818 50 30 GKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2Cl)C1C(=O)c1ccccc1 ZINC000001069470 206348148 /nfs/dbraw/zinc/34/81/48/206348148.db2.gz WBTHSFJGLHKKHS-QFIPXVFZSA-N 0 0 399.881 5.862 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)c1c(ccc3ncccc31)N2 ZINC000001069533 206348551 /nfs/dbraw/zinc/34/85/51/206348551.db2.gz PCPWFMCOIWRZIH-OAQYLSRUSA-N 0 0 394.396 5.818 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000001079563 206350336 /nfs/dbraw/zinc/35/03/36/206350336.db2.gz SXHQKGOXDJUFCJ-GOSISDBHSA-N 0 0 397.877 5.643 50 30 GKEARN COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000001087250 206351086 /nfs/dbraw/zinc/35/10/86/206351086.db2.gz AECTUWPCUFZIHU-HYARGMPZSA-N 0 0 377.400 5.106 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001080466 206351188 /nfs/dbraw/zinc/35/11/88/206351188.db2.gz BVZPIVSRDJTARG-CQSZACIVSA-N 0 0 391.414 5.295 50 30 GKEARN CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1cccc2c(C)cc(C)nc12 ZINC000001107315 206352654 /nfs/dbraw/zinc/35/26/54/206352654.db2.gz RZQZQDGGVPOCLY-ZMOGYAJESA-N 0 0 385.423 5.183 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)O1 ZINC000001390828 206377927 /nfs/dbraw/zinc/37/79/27/206377927.db2.gz KIZZGYPNLVSPQY-WMLDXEAASA-N 0 0 387.262 5.425 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccnc1)c1c(ccc3ccccc31)N2 ZINC000001421741 206380259 /nfs/dbraw/zinc/38/02/59/206380259.db2.gz SLRCJGGZKDHCRA-HOYKHHGWSA-N 0 0 392.458 5.786 50 30 GKEARN Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C(C#N)C#N)cc1 ZINC000001445612 206381656 /nfs/dbraw/zinc/38/16/56/206381656.db2.gz UHLJGOQBZSPDSD-UKILVPOCSA-N 0 0 396.515 5.786 50 30 GKEARN COc1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1O ZINC000001435158 206382360 /nfs/dbraw/zinc/38/23/60/206382360.db2.gz JRBQWHUEFUHQTN-WYMPLXKRSA-N 0 0 392.842 5.921 50 30 GKEARN COc1cccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000001467941 206382605 /nfs/dbraw/zinc/38/26/05/206382605.db2.gz ZMULJIGOXHIRGG-UHFFFAOYSA-N 0 0 398.510 6.008 50 30 GKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O ZINC000001461733 206382998 /nfs/dbraw/zinc/38/29/98/206382998.db2.gz HHJGXKAXESZBSN-UHFFFAOYSA-N 0 0 393.527 5.098 50 30 GKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000001458973 206383231 /nfs/dbraw/zinc/38/32/31/206383231.db2.gz JFOBHJSTTYLBTD-UPCLLVRISA-N 0 0 386.451 5.268 50 30 GKEARN Clc1ccc(Cn2c3ccccc3nc2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000001506486 206384129 /nfs/dbraw/zinc/38/41/29/206384129.db2.gz HMPXEULWTWGLBS-WYMPLXKRSA-N 0 0 389.842 5.217 50 30 GKEARN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001932431 206394697 /nfs/dbraw/zinc/39/46/97/206394697.db2.gz HVGVXTCYSSLJKC-SOFGYWHQSA-N 0 0 377.296 5.457 50 30 GKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(O)cc2)cc1 ZINC000002054418 206397039 /nfs/dbraw/zinc/39/70/39/206397039.db2.gz ZALDKJKVJSSEFL-WGOQTCKBSA-N 0 0 383.495 5.838 50 30 GKEARN C[C@H]1Oc2ccccc2CC1=CN=Nc1ncnc2scc(-c3ccccc3)c21 ZINC000002216606 206403026 /nfs/dbraw/zinc/40/30/26/206403026.db2.gz XWOJXJNIRZDCOF-ZXGJNYTGSA-N 0 0 398.491 5.621 50 30 GKEARN CC(C)c1ccc(C[C@H](C)C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000002299254 206407204 /nfs/dbraw/zinc/40/72/04/206407204.db2.gz TZUMUGLNHNZAKZ-INIZCTEOSA-N 0 0 378.512 5.649 50 30 GKEARN CCCCCCCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 ZINC000002370852 206412542 /nfs/dbraw/zinc/41/25/42/206412542.db2.gz ZRBZDBMLZYRHEV-UHFFFAOYSA-N 0 0 396.535 5.340 50 30 GKEARN CCOc1nc(-c2c(Cl)cccc2Cl)cc(-c2ccc(OC)cc2)c1C#N ZINC000002546803 206422186 /nfs/dbraw/zinc/42/21/86/206422186.db2.gz OOUXQWSVQHUJKH-UHFFFAOYSA-N 0 0 399.277 6.001 50 30 GKEARN CNC(=O)C(C#N)(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000003418371 206477872 /nfs/dbraw/zinc/47/78/72/206477872.db2.gz RXKWWYUHAPBZLD-UHFFFAOYSA-N 0 0 378.475 5.034 50 30 GKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1C ZINC000003170310 206460378 /nfs/dbraw/zinc/46/03/78/206460378.db2.gz NOPYPSSPSPZWCK-JFLMPSFJSA-N 0 0 398.506 6.865 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccn(-c3ccc(Br)cc3)c2)cc1 ZINC000004050931 206499947 /nfs/dbraw/zinc/49/99/47/206499947.db2.gz YSHMGFGGDDPZPU-BIIKFXOESA-N 0 0 382.257 5.145 50 30 GKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 ZINC000004181633 206506343 /nfs/dbraw/zinc/50/63/43/206506343.db2.gz VPIGVRSDCDFOAW-SEUCCCPNSA-N 0 0 398.937 7.226 50 30 GKEARN Cc1nc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)c1C#N ZINC000004324706 206514215 /nfs/dbraw/zinc/51/42/15/206514215.db2.gz DRGUGKHBACEKLL-UHFFFAOYSA-N 0 0 386.307 5.923 50 30 GKEARN Clc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1Cl ZINC000004561863 206530206 /nfs/dbraw/zinc/53/02/06/206530206.db2.gz KBFFTZHKHJRYFG-ZMOGYAJESA-N 0 0 380.278 6.142 50 30 GKEARN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004676267 206539462 /nfs/dbraw/zinc/53/94/62/206539462.db2.gz DIMALNSTYHHEPD-LSFURLLWSA-N 0 0 381.810 5.928 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccncc4)c3c2C1 ZINC000004953901 206576406 /nfs/dbraw/zinc/57/64/06/206576406.db2.gz SFIVXSRGPVBGOK-HEOQCTJZSA-N 0 0 393.560 5.464 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000005343537 206606289 /nfs/dbraw/zinc/60/62/89/206606289.db2.gz AWLBFHSWHGXHLM-WAIKUNEKSA-N 0 0 381.435 5.045 50 30 GKEARN COc1ccc2c(CC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)coc2c1 ZINC000005966312 206636659 /nfs/dbraw/zinc/63/66/59/206636659.db2.gz NBYGBYYPIVSHGJ-UHFFFAOYSA-N 0 0 383.403 5.128 50 30 GKEARN N#Cc1c(SCC(=O)c2ccc(F)cc2)nc2c(c1C(F)(F)F)CCCC2 ZINC000100233202 211383245 /nfs/dbraw/zinc/38/32/45/211383245.db2.gz MLRCNXQWXJNOJS-YBEGLDIGSA-N 0 0 394.393 5.639 50 30 GKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1c(Cl)cccc1Cl ZINC000006192631 206643910 /nfs/dbraw/zinc/64/39/10/206643910.db2.gz VMFIUOYBMBSZMW-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000006273012 206646406 /nfs/dbraw/zinc/64/64/06/206646406.db2.gz SVEHVNVCXDKNFH-QGZVFWFLSA-N 0 0 380.557 5.732 50 30 GKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 ZINC000006785519 206676679 /nfs/dbraw/zinc/67/66/79/206676679.db2.gz LIFOEWAMYJNJBJ-UHFFFAOYSA-N 0 0 398.491 5.107 50 30 GKEARN CCCCCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000096021539 211294964 /nfs/dbraw/zinc/29/49/64/211294964.db2.gz XNOGMGXPOWPDGX-UHFFFAOYSA-N 0 0 376.548 6.393 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000009013465 206772837 /nfs/dbraw/zinc/77/28/37/206772837.db2.gz CRMNGQHIUWXOQU-FQEVSTJZSA-N 0 0 397.902 5.499 50 30 GKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCCCC1 ZINC000013831698 207001739 /nfs/dbraw/zinc/00/17/39/207001739.db2.gz QWECPENSLJXIMX-UHFFFAOYSA-N 0 0 393.874 5.436 50 30 GKEARN C=CCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)c(Cl)c1 ZINC000003336705 210653732 /nfs/dbraw/zinc/65/37/32/210653732.db2.gz AYGHEJPFCWRCON-UHFFFAOYSA-N 0 0 377.296 5.182 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)c1 ZINC000033027010 210617364 /nfs/dbraw/zinc/61/73/64/210617364.db2.gz XXQUJYDREBXYQS-UHFFFAOYSA-N 0 0 399.450 5.614 50 30 GKEARN COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000019820659 207163969 /nfs/dbraw/zinc/16/39/69/207163969.db2.gz YMNYCWRIRMSDQE-UHFFFAOYSA-N 0 0 376.485 5.106 50 30 GKEARN CCN(Cc1ccccc1)c1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820592 207165073 /nfs/dbraw/zinc/16/50/73/207165073.db2.gz WKFVBSAAZLNREQ-UHFFFAOYSA-N 0 0 394.931 5.417 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@H](c1ccc(-c3ccccc3)cc1)CC2=O ZINC000022034793 207244929 /nfs/dbraw/zinc/24/49/29/207244929.db2.gz MDBBHSRAETXDHV-FQEVSTJZSA-N 0 0 394.474 5.612 50 30 GKEARN CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000032840913 207413441 /nfs/dbraw/zinc/41/34/41/207413441.db2.gz UMEKPPOFCOUEDT-JOCHJYFZSA-N 0 0 386.617 5.925 50 30 GKEARN Cc1c2c(nc(S[C@@H](C)C(=O)Nc3ccc4ccccc4c3)c1C#N)CCC2 ZINC000032724164 207402014 /nfs/dbraw/zinc/40/20/14/207402014.db2.gz AHZMGVSTJXRGPS-HNNXBMFYSA-N 0 0 387.508 5.023 50 30 GKEARN O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccc2c(c1)Nc1ccccc1S2 ZINC000035132590 207484476 /nfs/dbraw/zinc/48/44/76/207484476.db2.gz LIRFSYSQBOVACH-YVMONPNESA-N 0 0 387.460 5.562 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(NC[C@@H](CC)c3ccccc3)o2)CC1 ZINC000061997204 207792614 /nfs/dbraw/zinc/79/26/14/207792614.db2.gz VHYCSKPBNLHEHE-OBXNSHGQSA-N 0 0 379.548 6.616 50 30 GKEARN COc1ccccc1[C@H]1Nc2nc3ccccc3n2C(C)=C1C(=O)c1ccccc1 ZINC000016606919 533027663 /nfs/dbraw/zinc/02/76/63/533027663.db2.gz MMVIPDNRVYQFCO-HSZRJFAPSA-N 0 0 395.462 5.326 50 30 GKEARN N#Cc1cccc(-c2c[nH]c(CNc3nc4cc(C(F)(F)F)ccc4s3)n2)c1 ZINC000095456955 208185819 /nfs/dbraw/zinc/18/58/19/208185819.db2.gz PQTXBRCVLQWQDY-UHFFFAOYSA-N 0 0 399.401 5.189 50 30 GKEARN O=C1c2ccccc2C(Nc2cccc(F)c2)=C1c1ccc(C(F)(F)F)cc1 ZINC000101091876 208385964 /nfs/dbraw/zinc/38/59/64/208385964.db2.gz CQMFEGXICSRCSC-UHFFFAOYSA-N 0 0 383.344 6.021 50 30 GKEARN O=C1c2ccccc2C(Nc2ccc(F)cc2)=C1c1ccc(C(F)(F)F)cc1 ZINC000101091680 208386244 /nfs/dbraw/zinc/38/62/44/208386244.db2.gz XSSVJPWIOJAUSO-UHFFFAOYSA-N 0 0 383.344 6.021 50 30 GKEARN COc1ccc(NC=Cc2onc(-c3c(Cl)cccc3Cl)c2C#N)cc1 ZINC000100363754 208375643 /nfs/dbraw/zinc/37/56/43/208375643.db2.gz QRCXOIVDURCPLT-MDZDMXLPSA-N 0 0 386.238 5.611 50 30 GKEARN CC(=O)[C@@]12CC(C)=C(C)C[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913460 208464910 /nfs/dbraw/zinc/46/49/10/208464910.db2.gz DWXXDCFQXAHBDL-NBLSFGMGSA-N 0 0 394.599 6.450 50 30 GKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC000003265348 208511086 /nfs/dbraw/zinc/51/10/86/208511086.db2.gz APPYBDHITXRKLX-UHFFFAOYSA-N 0 0 378.771 5.006 50 30 GKEARN CSc1nc2ccc(/N=C/c3ccc(Sc4ccccc4)o3)cc2s1 ZINC000000713853 533078924 /nfs/dbraw/zinc/07/89/24/533078924.db2.gz DZXJGUZUSFBSDC-UDWIEESQSA-N 0 0 382.535 6.513 50 30 GKEARN CC(C)c1ccc(NN=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004175453 208539018 /nfs/dbraw/zinc/53/90/18/208539018.db2.gz ISHHMDYPSTWPNM-BWAHOGKJSA-N 0 0 380.904 5.927 50 30 GKEARN C=C1CC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(N(CCC#N)CCC#N)cc2)C1 ZINC000020120579 210318459 /nfs/dbraw/zinc/31/84/59/210318459.db2.gz ZQRVFALNROUUGX-QFIPXVFZSA-N 0 0 387.527 5.440 50 30 GKEARN CSc1nc(Nc2cccc(C)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820468 210300607 /nfs/dbraw/zinc/30/06/07/210300607.db2.gz VPUFBJQGRPSFMX-UHFFFAOYSA-N 0 0 388.540 6.087 50 30 GKEARN CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000019820796 210300406 /nfs/dbraw/zinc/30/04/06/210300406.db2.gz FRKBBESEMALKKX-UHFFFAOYSA-N 0 0 387.512 5.081 50 30 GKEARN CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCCCC2)n1 ZINC000019820375 210300082 /nfs/dbraw/zinc/30/00/82/210300082.db2.gz BGYIYGRAPLRMOU-UHFFFAOYSA-N 0 0 380.561 5.415 50 30 GKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(C)c(C)o3)n2)o1 ZINC000170626597 208755754 /nfs/dbraw/zinc/75/57/54/208755754.db2.gz ZWSBXOPQNZXFFC-UHFFFAOYSA-N 0 0 393.390 5.438 50 30 GKEARN Cc1cc(C)c(C#N)c(SCCCCSc2nc(C)cc(C)c2C#N)n1 ZINC000001918374 220500290 /nfs/dbraw/zinc/50/02/90/220500290.db2.gz DSVKGJXROCITEW-UHFFFAOYSA-N 0 0 382.558 5.118 50 30 GKEARN O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 ZINC000002098458 220502223 /nfs/dbraw/zinc/50/22/23/220502223.db2.gz ZAVZPRHISGHJFE-FINLKQIMSA-N 0 0 396.277 5.594 50 30 GKEARN O=C1c2ccccc2C(=O)C1=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002504435 220539566 /nfs/dbraw/zinc/53/95/66/220539566.db2.gz GZBWFRGULIJYMY-UHFFFAOYSA-N 0 0 385.263 5.099 50 30 GKEARN CC1(C)CC(=O)C(=CNc2ccc(Oc3ccc4ccccc4c3)cc2)C(=O)C1 ZINC000002549798 220540751 /nfs/dbraw/zinc/54/07/51/220540751.db2.gz SYRNNTIIRPYQAQ-UHFFFAOYSA-N 0 0 385.463 5.886 50 30 GKEARN CCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000002818464 220571553 /nfs/dbraw/zinc/57/15/53/220571553.db2.gz LXUWBFKLIOOJMU-SANMLTNESA-N 0 0 383.491 6.302 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000003113650 220605402 /nfs/dbraw/zinc/60/54/02/220605402.db2.gz HZJBFCRNUFCOAD-AFUMVMLFSA-N 0 0 384.435 5.649 50 30 biogenic GKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Cl ZINC000003113654 220605450 /nfs/dbraw/zinc/60/54/50/220605450.db2.gz WXESKOVTSANYGK-DHRITJCHSA-N 0 0 390.870 6.524 50 30 GKEARN C=CCN(C(=O)c1ccccc1Br)c1nc(-c2ccccc2)cs1 ZINC000003558673 220655531 /nfs/dbraw/zinc/65/55/31/220655531.db2.gz ZGGMVQHESBGHMY-UHFFFAOYSA-N 0 0 399.313 5.405 50 30 GKEARN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1 ZINC000004502128 220723378 /nfs/dbraw/zinc/72/33/78/220723378.db2.gz FHLPFAKOLQCINF-CXUHLZMHSA-N 0 0 393.295 5.284 50 30 GKEARN Cc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1C ZINC000004674551 220745512 /nfs/dbraw/zinc/74/55/12/220745512.db2.gz FQBUJVFNYWPQFQ-UHFFFAOYSA-N 0 0 396.538 6.617 50 30 GKEARN Cc1ccc2oc(-c3ccc(/N=C\C=C\c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000004737912 220756583 /nfs/dbraw/zinc/75/65/83/220756583.db2.gz QXBDRYNKILMXBV-JMALWJPDSA-N 0 0 383.407 6.127 50 30 GKEARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2cc1C ZINC000005152707 220836935 /nfs/dbraw/zinc/83/69/35/220836935.db2.gz MERMOOFLQDRZKG-UHFFFAOYSA-N 0 0 398.491 5.027 50 30 GKEARN COc1ccc(CCNc2oc(-c3cccc4ccccc43)nc2C#N)cc1OC ZINC000005180250 220841124 /nfs/dbraw/zinc/84/11/24/220841124.db2.gz UYEBUEQAMLRRAA-UHFFFAOYSA-N 0 0 399.450 5.038 50 30 GKEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005406933 220866040 /nfs/dbraw/zinc/86/60/40/220866040.db2.gz BDNHKOIJQCTTKP-AVRWGWEMSA-N 0 0 396.490 5.186 50 30 GKEARN N#Cc1sc2nc3c(c(-c4cccs4)c2c1N)CC/C3=C\c1cccs1 ZINC000006269309 220926344 /nfs/dbraw/zinc/92/63/44/220926344.db2.gz DXFAYSJWJAOFBV-PKNBQFBNSA-N 0 0 391.546 6.027 50 30 GKEARN CCC1C/C(=C/c2c(C)cc(C)cc2C)C(=O)/C(=C\c2c(C)cc(C)cc2C)C1 ZINC000006480579 220936941 /nfs/dbraw/zinc/93/69/41/220936941.db2.gz RHPIHDULCBCKHD-URXAUHHJSA-N 0 0 386.579 7.393 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000007736801 221008740 /nfs/dbraw/zinc/00/87/40/221008740.db2.gz JXTYTMJWODWPKZ-NRFANRHFSA-N 0 0 384.504 5.517 50 30 GKEARN CC(C)Sc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000007598029 221002541 /nfs/dbraw/zinc/00/25/41/221002541.db2.gz KUVDGMURQCZZLX-UHFFFAOYSA-N 0 0 379.510 5.435 50 30 GKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccccc1C(F)(F)F ZINC000008337824 221037879 /nfs/dbraw/zinc/03/78/79/221037879.db2.gz GESWRIXIZBQUDF-VAWYXSNFSA-N 0 0 383.373 5.049 50 30 GKEARN Cc1sc(NC(=O)c2cccc(C#N)c2)nc1-c1ccc(Br)cc1 ZINC000007967391 221017153 /nfs/dbraw/zinc/01/71/53/221017153.db2.gz YOKAVIUFDIYXKN-UHFFFAOYSA-N 0 0 398.285 5.005 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)c2ccc(F)cc2)n1 ZINC000008843579 221060286 /nfs/dbraw/zinc/06/02/86/221060286.db2.gz LVNWLOICWWZQRV-UHFFFAOYSA-N 0 0 382.382 5.175 50 30 GKEARN Oc1cccc2c(NC(=S)Nc3ccc(SC(F)F)cc3)cccc12 ZINC000008685640 221049821 /nfs/dbraw/zinc/04/98/21/221049821.db2.gz PZGFEDYHJMLVGX-UHFFFAOYSA-N 0 0 376.453 5.890 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCSCc3ccccc3)sc2C1 ZINC000010616706 221105295 /nfs/dbraw/zinc/10/52/95/221105295.db2.gz YHTWDXSSXIRTBP-HNNXBMFYSA-N 0 0 384.570 5.397 50 30 GKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NC1CCCCC1 ZINC000012418930 221191114 /nfs/dbraw/zinc/19/11/14/221191114.db2.gz PSEODKBYFCYEGX-UHFFFAOYSA-N 0 0 397.862 5.783 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2)cs1)c1c(C)cccc1C ZINC000012805242 221234366 /nfs/dbraw/zinc/23/43/66/221234366.db2.gz YLTQYBKEQMDZJR-OUKQBFOZSA-N 0 0 376.481 5.341 50 30 GKEARN N#Cc1ccsc1NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000012980366 221251904 /nfs/dbraw/zinc/25/19/04/221251904.db2.gz CJOBZOBTWHIRJM-UHFFFAOYSA-N 0 0 389.455 5.478 50 30 GKEARN Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)c(Cl)c3)c2C#N)no1 ZINC000013329154 221264882 /nfs/dbraw/zinc/26/48/82/221264882.db2.gz XAVWDHUSNUBLNS-UHFFFAOYSA-N 0 0 378.240 5.142 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1cccc(F)c1)c1ccccc1N2 ZINC000015826353 221346937 /nfs/dbraw/zinc/34/69/37/221346937.db2.gz FUVMXFJIEPHZHU-XMMPIXPASA-N 0 0 388.442 5.599 50 30 GKEARN CSc1nc(NCCc2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019794125 221453268 /nfs/dbraw/zinc/45/32/68/221453268.db2.gz HLEBLJTUZANGDX-UHFFFAOYSA-N 0 0 380.904 5.045 50 30 GKEARN CC(C)(C)c1ccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 ZINC000019805320 221456468 /nfs/dbraw/zinc/45/64/68/221456468.db2.gz AIGWLVBWGWDHRB-UHFFFAOYSA-N 0 0 398.535 5.664 50 30 GKEARN C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(OC)cc1 ZINC000002745536 136202950 /nfs/dbraw/zinc/20/29/50/136202950.db2.gz DVVFINMEGXSAQU-QHCPKHFHSA-N 0 0 386.451 5.031 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@@H]3CC[C@]21C ZINC000257350611 209080250 /nfs/dbraw/zinc/08/02/50/209080250.db2.gz YSHCPAAHOVSKSB-JIMRFQOPSA-N 0 0 386.664 7.629 50 30 GKEARN C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)c2cc(C(F)(F)F)ccc2S1 ZINC000059005450 222056239 /nfs/dbraw/zinc/05/62/39/222056239.db2.gz WDPXBEWRVADARS-LBPRGKRZSA-N 0 0 376.403 5.108 50 30 GKEARN Cc1ccc(C#N)c(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)n1 ZINC000067755770 222157341 /nfs/dbraw/zinc/15/73/41/222157341.db2.gz ULJUVLJETCPTQB-UHFFFAOYSA-N 0 0 384.361 5.080 50 30 GKEARN Cc1ccc(C)c(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000101091759 533685087 /nfs/dbraw/zinc/68/50/87/533685087.db2.gz SQCFMWBHAPMQSM-UHFFFAOYSA-N 0 0 393.408 6.499 50 30 GKEARN Brc1ccccc1N=NC(=CCc1ccccc1)c1ccccc1 ZINC000004401974 518224288 /nfs/dbraw/zinc/22/42/88/518224288.db2.gz ZHGFVRLNWNOACK-OHDNXCHDSA-N 0 0 377.285 5.979 50 30 GKEARN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(Br)c(OCC#N)cc21 ZINC000068755319 518235888 /nfs/dbraw/zinc/23/58/88/518235888.db2.gz DQINBCSGVZEPNJ-UHFFFAOYSA-N 0 0 397.272 5.115 50 30 GKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076570 518327849 /nfs/dbraw/zinc/32/78/49/518327849.db2.gz BHAWVATYQSUDOQ-KRWDZBQOSA-N 0 0 377.440 5.040 50 30 GKEARN C(=N/N1CCN(Cc2ccccc2)CC1)\c1c2ccccc2cc2ccccc21 ZINC000019833044 518375434 /nfs/dbraw/zinc/37/54/34/518375434.db2.gz ZJNUROJTMAOEDO-ZXVVBBHZSA-N 0 0 379.507 5.145 50 30 GKEARN c1[nH]c2ccccc2c1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000015015676 518380707 /nfs/dbraw/zinc/38/07/07/518380707.db2.gz FIJQOFAWVBRYMZ-QQXSKIMKSA-N 0 0 390.450 5.133 50 30 GKEARN C/C(=N/N=C(/C)c1ccc(C(C)(C)C)cc1N)c1ccc(C(C)(C)C)cc1N ZINC000004676089 518448356 /nfs/dbraw/zinc/44/83/56/518448356.db2.gz OXIJVUIDYKHELL-USYBVIFISA-N 0 0 378.564 5.679 50 30 GKEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc21 ZINC000019833910 518458968 /nfs/dbraw/zinc/45/89/68/518458968.db2.gz ATMAPJUKGVKPJL-XIEYBQDHSA-N 0 0 377.919 5.035 50 30 GKEARN C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1 ZINC000019835464 518460128 /nfs/dbraw/zinc/46/01/28/518460128.db2.gz VCUKDRZZVYKYKN-XIEYBQDHSA-N 0 0 377.919 5.035 50 30 GKEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc2ccccc21 ZINC000005910341 518460733 /nfs/dbraw/zinc/46/07/33/518460733.db2.gz NIGCHHLCWVUNPV-OEAKJJBVSA-N 0 0 388.452 5.130 50 30 GKEARN Cc1cc(C)c(C(C)N=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 ZINC000035653470 518467699 /nfs/dbraw/zinc/46/76/99/518467699.db2.gz JYSJWAKDKTVHEG-PXLXIMEGSA-N 0 0 380.473 5.480 50 30 GKEARN CC(COc1ccc(-c2csnn2)cc1)N=Nc1cc(Cl)cc(Cl)c1 ZINC000013468943 518475974 /nfs/dbraw/zinc/47/59/74/518475974.db2.gz MNVPQQKSXGMKFF-RGVLZGJSSA-N 0 0 393.299 5.379 50 30 GKEARN CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc21)Cc1cccs1 ZINC000013878747 518571241 /nfs/dbraw/zinc/57/12/41/518571241.db2.gz IFJCCPHFKOCIFW-UHFFFAOYSA-N 0 0 377.966 5.152 50 30 GKEARN C=C(Br)Cn1c2ccccc2nc1CCCCCCCCCCC ZINC000050704860 518584740 /nfs/dbraw/zinc/58/47/40/518584740.db2.gz WYENPBYZYNTIFP-UHFFFAOYSA-N 0 0 391.397 7.018 50 30 GKEARN C=C(C(=O)c1ccccc1)C(C(=C)C(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000002276076 518585120 /nfs/dbraw/zinc/58/51/20/518585120.db2.gz VLCGLMKWSBSFEC-UHFFFAOYSA-N 0 0 382.459 5.657 50 30 GKEARN C=C(C)COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000071284081 518614610 /nfs/dbraw/zinc/61/46/10/518614610.db2.gz YPOSAKULRXPOCZ-GOSISDBHSA-N 0 0 387.505 5.019 50 30 GKEARN C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O ZINC000028182477 518616628 /nfs/dbraw/zinc/61/66/28/518616628.db2.gz KCQGVJAOHYWTPL-YVNNLAQVSA-N 0 0 389.451 5.066 50 30 GKEARN C=C(C)COc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 ZINC000002084002 518617533 /nfs/dbraw/zinc/61/75/33/518617533.db2.gz GHGYKOMTACNJDE-STZFKDTASA-N 0 0 375.468 5.284 50 30 GKEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O ZINC000028182728 518617965 /nfs/dbraw/zinc/61/79/65/518617965.db2.gz HPGPYLPDGQHDSR-RMORIDSASA-N 0 0 389.451 5.241 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccco2)c1 ZINC000057450924 518647148 /nfs/dbraw/zinc/64/71/48/518647148.db2.gz YVEMOVATEJFKPQ-SIKLNZKXSA-N 0 0 380.532 5.649 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCC[C@H]2Cc2ccco2)c1 ZINC000057450925 518647352 /nfs/dbraw/zinc/64/73/52/518647352.db2.gz YVEMOVATEJFKPQ-UGKGYDQZSA-N 0 0 380.532 5.649 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C ZINC000033914452 518663673 /nfs/dbraw/zinc/66/36/73/518663673.db2.gz DIPPFEXMRDPFBK-JPWDPSJFSA-N 0 0 398.675 7.865 50 30 in-vitro GKEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681706 518684817 /nfs/dbraw/zinc/68/48/17/518684817.db2.gz RXZWAMINHJDYKW-UHFFFAOYSA-N 0 0 396.093 5.547 50 30 GKEARN C=CCCCCCCCCC(=O)N1CCC(c2cn(C)c3ccccc23)CC1 ZINC000022332898 518698707 /nfs/dbraw/zinc/69/87/07/518698707.db2.gz BHPYRIFLLGTMDC-UHFFFAOYSA-N 0 0 380.576 6.191 50 30 GKEARN C=CCN(C(=O)c1cc(C2CC2)nc2ccccc21)c1nc2c(s1)CCCC2 ZINC000006553554 518736871 /nfs/dbraw/zinc/73/68/71/518736871.db2.gz KGNBJRRMZRXCOV-UHFFFAOYSA-N 0 0 389.524 5.280 50 30 GKEARN C=CCN(C(=O)c1cscn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000102979541 518741020 /nfs/dbraw/zinc/74/10/20/518741020.db2.gz KJSNARNDXZQNEC-UHFFFAOYSA-N 0 0 396.324 5.406 50 30 GKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1 ZINC000036032211 518794912 /nfs/dbraw/zinc/79/49/12/518794912.db2.gz RSWNHSPCBIRSDM-UHFFFAOYSA-N 0 0 392.524 5.167 50 30 GKEARN C=CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)S/C1=N\c1cccc(C)c1 ZINC000103469306 518828284 /nfs/dbraw/zinc/82/82/84/518828284.db2.gz SNRVRXFNYOCCQR-KAXIZBKFSA-N 0 0 385.558 5.233 50 30 GKEARN C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000046075860 519006363 /nfs/dbraw/zinc/00/63/63/519006363.db2.gz KCVJWJCJSMOGEY-KRWDZBQOSA-N 0 0 391.492 5.463 50 30 GKEARN CC(C)(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000004818914 519010517 /nfs/dbraw/zinc/01/05/17/519010517.db2.gz LCDILZZCRPNBIK-FXBPSFAMSA-N 0 0 381.475 6.549 50 30 GKEARN CC(C)(C)c1ccc(/C=C(\C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 ZINC000005839590 519011918 /nfs/dbraw/zinc/01/19/18/519011918.db2.gz LBWFQDJPFLZZRI-HMMYKYKNSA-N 0 0 382.463 5.944 50 30 GKEARN C=CCOc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1Br ZINC000096662894 519015650 /nfs/dbraw/zinc/01/56/50/519015650.db2.gz DLIDPIYDKHKTEI-ZSOIEALJSA-N 0 0 390.664 5.160 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(Cl)cc2)cc1 ZINC000020896855 519024484 /nfs/dbraw/zinc/02/44/84/519024484.db2.gz OLIXCEKPXXTZEV-UHFFFAOYSA-N 0 0 383.900 5.813 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000004368018 519028644 /nfs/dbraw/zinc/02/86/44/519028644.db2.gz AWANRNLPVLXUCH-AHWVRZQESA-N 0 0 396.490 5.802 50 30 GKEARN C=CCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002743318 519046503 /nfs/dbraw/zinc/04/65/03/519046503.db2.gz MIRAELMWLIJDLU-QFIPXVFZSA-N 0 0 383.451 5.102 50 30 GKEARN C=CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013785721 519050256 /nfs/dbraw/zinc/05/02/56/519050256.db2.gz XIOHHPKZKILMLK-ILBGXUMGSA-N 0 0 382.463 5.494 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1c(F)cccc1F ZINC000035927851 519063929 /nfs/dbraw/zinc/06/39/29/519063929.db2.gz QTBMCATVKAMZFU-UHFFFAOYSA-N 0 0 398.453 5.063 50 30 GKEARN C=CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 ZINC000009319557 519080949 /nfs/dbraw/zinc/08/09/49/519080949.db2.gz STSULGHUDUKPLT-WYMLVPIESA-N 0 0 392.574 6.508 50 30 GKEARN C=CCSc1nc2ccccc2n1C(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000012384092 519081262 /nfs/dbraw/zinc/08/12/62/519081262.db2.gz OHEUGNXMCDNXGQ-IAQYHMDHSA-N 0 0 381.328 5.546 50 30 GKEARN C=CCSc1ncc(C=NNc2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000004002496 519084078 /nfs/dbraw/zinc/08/40/78/519084078.db2.gz PLZVDFZRPLBPEA-OEAKJJBVSA-N 0 0 382.920 5.309 50 30 GKEARN C=CCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 ZINC000013284492 519092372 /nfs/dbraw/zinc/09/23/72/519092372.db2.gz GVABIOWFSKNMCA-UHFFFAOYSA-N 0 0 395.557 5.168 50 30 GKEARN C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC ZINC000096471362 519124330 /nfs/dbraw/zinc/12/43/30/519124330.db2.gz MVMVSUFERQWMEM-RCCKNPSSSA-N 0 0 390.483 5.019 50 30 GKEARN C=CCc1ccc(OCCCCOc2cccc(Br)c2)c(OC)c1 ZINC000002985643 519135510 /nfs/dbraw/zinc/13/55/10/519135510.db2.gz RUFCZDSFLYUGMN-UHFFFAOYSA-N 0 0 391.305 5.424 50 30 GKEARN C=CCc1ccc(OCCCOc2ccc(Br)cc2)c(OC)c1 ZINC000002985546 519135614 /nfs/dbraw/zinc/13/56/14/519135614.db2.gz YPCWPQXFXXATJE-UHFFFAOYSA-N 0 0 377.278 5.034 50 30 GKEARN C=CCc1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000002985269 519136300 /nfs/dbraw/zinc/13/63/00/519136300.db2.gz XKLZQIJZGWLNLX-UHFFFAOYSA-N 0 0 391.851 5.223 50 30 GKEARN C=CCn1c(SCCCC#N)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000007060694 519235276 /nfs/dbraw/zinc/23/52/76/519235276.db2.gz SZRIFGMQIARJTL-UHFFFAOYSA-N 0 0 381.526 5.015 50 30 GKEARN C=CCn1c(SCCCC(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000003449822 519235951 /nfs/dbraw/zinc/23/59/51/519235951.db2.gz NKGFUVGMHKOPFG-UHFFFAOYSA-N 0 0 398.553 5.016 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000004346163 519240104 /nfs/dbraw/zinc/24/01/04/519240104.db2.gz BMWSXPVYBFFONB-UHFFFAOYSA-N 0 0 394.302 5.869 50 30 GKEARN C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cccc(C)c1 ZINC000004346175 519240126 /nfs/dbraw/zinc/24/01/26/519240126.db2.gz KJHFLUIOQQTBCZ-UHFFFAOYSA-N 0 0 389.446 5.751 50 30 GKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850340 519243883 /nfs/dbraw/zinc/24/38/83/519243883.db2.gz UBPWBFRJAKWHQK-HNNXBMFYSA-N 0 0 385.920 5.550 50 30 GKEARN C=CCn1c(SCc2nc3ccccc3nc2C)nnc1C1CCCCC1 ZINC000003476937 519248354 /nfs/dbraw/zinc/24/83/54/519248354.db2.gz BMCSRLTZJFLQAM-UHFFFAOYSA-N 0 0 379.533 5.056 50 30 GKEARN C=CCn1c(S[C@@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000058109601 519253092 /nfs/dbraw/zinc/25/30/92/519253092.db2.gz OTQIHQWLVJOKKM-KGLIPLIRSA-N 0 0 397.569 5.017 50 30 GKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(C)C)cc3)c12 ZINC000008342536 519266098 /nfs/dbraw/zinc/26/60/98/519266098.db2.gz QBDANGFWMPZGQM-NTCAYCPXSA-N 0 0 383.495 5.803 50 30 GKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 ZINC000012662466 519316708 /nfs/dbraw/zinc/31/67/08/519316708.db2.gz IYZRJSRSJMEUSY-AJRXITOCSA-N 0 0 380.443 6.081 50 30 biogenic GKEARN CC(C)=N/N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100220718 519446568 /nfs/dbraw/zinc/44/65/68/519446568.db2.gz AGSDZTBXEYDVJT-PBQGTZBKSA-N 0 0 394.474 5.085 50 30 GKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1c[nH]c2ccccc12 ZINC000012360150 534439046 /nfs/dbraw/zinc/43/90/46/534439046.db2.gz FUWNJKLHICLIPY-HGBQSQDTSA-N 0 0 375.247 5.189 50 30 GKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009264266 519640468 /nfs/dbraw/zinc/64/04/68/519640468.db2.gz FKJISGVXKYVBPV-BVZFJXPGSA-N 0 0 398.462 5.200 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C#N)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348762 519645558 /nfs/dbraw/zinc/64/55/58/519645558.db2.gz IPBLIUKTZDRWCD-VKEYYTQXSA-N 0 0 395.675 8.168 50 30 GKEARN CC(=O)Nc1cccc(C(=O)/C=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)c1 ZINC000096315694 519735767 /nfs/dbraw/zinc/73/57/67/519735767.db2.gz XSRCKMRXJCADMW-WAYWQWQTSA-N 0 0 388.250 5.167 50 30 GKEARN CC(C)COc1ccccc1/C=N/c1sccc1C(=O)NCc1ccco1 ZINC000006388003 519764893 /nfs/dbraw/zinc/76/48/93/519764893.db2.gz BYSUJDCSZIJDTH-FSJBWODESA-N 0 0 382.485 5.057 50 30 GKEARN CC(C)Oc1ccc(C(=O)/C(=C\c2cccs2)c2nc3ccccc3o2)cc1 ZINC000012377895 519778436 /nfs/dbraw/zinc/77/84/36/519778436.db2.gz UDXLXTNUGFXMBQ-XMHGGMMESA-N 0 0 389.476 6.100 50 30 aggregator GKEARN CC(C)Oc1ccc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)cc1 ZINC000012377896 519778527 /nfs/dbraw/zinc/77/85/27/519778527.db2.gz IMOYZDAINATAKQ-XSFVSMFZSA-N 0 0 384.435 5.434 50 30 GKEARN CC(C)c1ccc(C=NN=C2NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000009319418 519834340 /nfs/dbraw/zinc/83/43/40/519834340.db2.gz TXGXNRAOWNLAOD-GQBLCDNYSA-N 0 0 393.556 5.938 50 30 GKEARN CCCC(C)(C)[C@@H]1C[C@H](C)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101673103 519882759 /nfs/dbraw/zinc/88/27/59/519882759.db2.gz VYVCOPUKBOFTDG-DQSWUDLWSA-N 0 0 376.457 5.533 50 30 GKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000021356398 519883949 /nfs/dbraw/zinc/88/39/49/519883949.db2.gz CFIUTYIDGVKUIB-OAQYLSRUSA-N 0 0 393.487 5.016 50 30 GKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000021356392 519884101 /nfs/dbraw/zinc/88/41/01/519884101.db2.gz CFIUTYIDGVKUIB-NRFANRHFSA-N 0 0 393.487 5.016 50 30 GKEARN CCCCC(N=Nc1nc2ccccc2s1)N=Nc1ccc(N(C)C)cc1 ZINC000004044296 519903966 /nfs/dbraw/zinc/90/39/66/519903966.db2.gz VSJYLYATAIAVPU-GVVYLFFUSA-N 0 0 380.521 5.484 50 30 GKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)CC(C)(C)CC1=O ZINC000100154981 519905323 /nfs/dbraw/zinc/90/53/23/519905323.db2.gz IEFKKRNACCUVSC-UHFFFAOYSA-N 0 0 380.532 5.011 50 30 GKEARN CCCCC(NCCc1c(C)[nH]c2ccc(C)cc21)=C1C(=O)CC(C)(C)CC1=O ZINC000100154790 519916366 /nfs/dbraw/zinc/91/63/66/519916366.db2.gz MVEFXZZVYRYKIM-UHFFFAOYSA-N 0 0 394.559 5.319 50 30 GKEARN CCCCC(Nc1ccccc1OC)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000102968625 519916718 /nfs/dbraw/zinc/91/67/18/519916718.db2.gz OFCBXLPJFUFVMZ-UHFFFAOYSA-N 0 0 377.484 5.267 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn21 ZINC000102993330 519963386 /nfs/dbraw/zinc/96/33/86/519963386.db2.gz DUHQPFBKOLJDPL-UHFFFAOYSA-N 0 0 383.923 6.262 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2cccc(Cl)c2)nc2cc(C)ccn21 ZINC000102993342 519963873 /nfs/dbraw/zinc/96/38/73/519963873.db2.gz YNQKAJGUQSEBSC-UHFFFAOYSA-N 0 0 383.923 6.262 50 30 GKEARN CCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000100165702 519966399 /nfs/dbraw/zinc/96/63/99/519966399.db2.gz DMMLGUPEEQVFOE-LFIBNONCSA-N 0 0 384.903 6.502 50 30 GKEARN CCCCCCCC(CCCCCCC)COS(=O)(=O)c1ccccc1 ZINC000101016617 519968513 /nfs/dbraw/zinc/96/85/13/519968513.db2.gz SWNTZERYKZBPSF-UHFFFAOYSA-N 0 0 382.610 6.729 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2ccccc2OC)nc2cc(C)ccn21 ZINC000102996504 519972334 /nfs/dbraw/zinc/97/23/34/519972334.db2.gz NWMLZRHHURLKSR-UHFFFAOYSA-N 0 0 393.531 6.007 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21 ZINC000102996501 519973593 /nfs/dbraw/zinc/97/35/93/519973593.db2.gz ALGAUGGIDGCXNM-UHFFFAOYSA-N 0 0 399.485 6.277 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2cccc(OC)c2)nc2ccccn21 ZINC000102996526 519973603 /nfs/dbraw/zinc/97/36/03/519973603.db2.gz JZSUEBRBTGFUFP-UHFFFAOYSA-N 0 0 379.504 5.699 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21 ZINC000102996498 519973841 /nfs/dbraw/zinc/97/38/41/519973841.db2.gz LDHDQUFOFMNHRJ-UHFFFAOYSA-N 0 0 381.495 6.138 50 30 GKEARN CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC ZINC000101371617 519975854 /nfs/dbraw/zinc/97/58/54/519975854.db2.gz FCKDHZVFIMRCNM-UHFFFAOYSA-N 0 0 378.509 5.307 50 30 in-vitro GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000098001403 519976953 /nfs/dbraw/zinc/97/69/53/519976953.db2.gz RFERVOUARFUCAM-UHFFFAOYSA-N 0 0 394.559 6.635 50 30 biogenic GKEARN CCCCCCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000100498106 519978033 /nfs/dbraw/zinc/97/80/33/519978033.db2.gz AKUFSAACBJSLTM-KRWDZBQOSA-N 0 0 393.786 6.052 50 30 GKEARN CCCCCCCCCC(=O)n1c2ccc(F)cc2c2nc3ccccc3nc21 ZINC000095722838 519978867 /nfs/dbraw/zinc/97/88/67/519978867.db2.gz QQMZWPBUECVWIV-UHFFFAOYSA-N 0 0 391.490 6.658 50 30 GKEARN CCCCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1cc(C)on1 ZINC000103065643 519981502 /nfs/dbraw/zinc/98/15/02/519981502.db2.gz JDSWXVXQYXBYES-UHFFFAOYSA-N 0 0 393.572 5.471 50 30 GKEARN CCCCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1 ZINC000103065641 519981615 /nfs/dbraw/zinc/98/16/15/519981615.db2.gz FPSPPLVYCMWHLJ-UHFFFAOYSA-N 0 0 379.545 5.163 50 30 GKEARN CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC ZINC000008022586 519982083 /nfs/dbraw/zinc/98/20/83/519982083.db2.gz WAFNZAURAWBNDZ-UHFFFAOYSA-N 0 0 393.568 6.208 50 30 in-vitro GKEARN CCCCCCCCCCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000002165476 519982104 /nfs/dbraw/zinc/98/21/04/519982104.db2.gz APLCTHARWINLIU-UHFFFAOYSA-N 0 0 382.386 6.925 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc2ccccc2c1 ZINC000100971457 519982293 /nfs/dbraw/zinc/98/22/93/519982293.db2.gz UBTRNYDBOADCHD-UHFFFAOYSA-N 0 0 384.589 6.574 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000098000390 519983578 /nfs/dbraw/zinc/98/35/78/519983578.db2.gz LQIWYDNADCTLLV-UHFFFAOYSA-N 0 0 391.559 7.089 50 30 GKEARN CCCCCCCCCCCC(=O)OCCOc1ccc(C(C)(C)CC)cc1 ZINC000100972998 519984230 /nfs/dbraw/zinc/98/42/30/519984230.db2.gz OVRWBUJGIGBNKC-UHFFFAOYSA-N 0 0 390.608 7.217 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1nc(-c2cc(C)ccc2O)cs1 ZINC000100733971 519984380 /nfs/dbraw/zinc/98/43/80/519984380.db2.gz GQVZOLQNXWUVRK-UHFFFAOYSA-N 0 0 388.577 6.684 50 30 GKEARN CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O ZINC000038141479 519986084 /nfs/dbraw/zinc/98/60/84/519986084.db2.gz QDRXWCAVUNHOGA-UHFFFAOYSA-N 0 0 384.516 6.194 50 30 in-vitro GKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc(Cl)cc1 ZINC000101020146 519992538 /nfs/dbraw/zinc/99/25/38/519992538.db2.gz ADARCPFWNVTRSM-UHFFFAOYSA-N 0 0 379.028 8.784 50 30 GKEARN CCCCCCCCCCCCCCCCCCNc1ccc(OC)cc1 ZINC000098044758 519997556 /nfs/dbraw/zinc/99/75/56/519997556.db2.gz SFDDCBOFQQLKRV-UHFFFAOYSA-N 0 0 375.641 8.369 50 30 GKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(F)cc1 ZINC000101014039 519998937 /nfs/dbraw/zinc/99/89/37/519998937.db2.gz GRWHYSQNHFIOPD-UHFFFAOYSA-N 0 0 399.616 6.585 50 30 GKEARN CCCCCCCCCCCCCCCCOc1cccc(NC(C)=O)c1 ZINC000101016499 520000527 /nfs/dbraw/zinc/00/05/27/520000527.db2.gz LZKJDMSVIVWTBU-UHFFFAOYSA-N 0 0 375.597 7.505 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1N ZINC000100310089 520000579 /nfs/dbraw/zinc/00/05/79/520000579.db2.gz PICGZONBJRKQLK-UHFFFAOYSA-N 0 0 391.596 6.916 50 30 GKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(C)cc1 ZINC000101015775 520001061 /nfs/dbraw/zinc/00/10/61/520001061.db2.gz DOKRNCKMWMCPKZ-UHFFFAOYSA-N 0 0 380.638 7.250 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000101014134 520001458 /nfs/dbraw/zinc/00/14/58/520001458.db2.gz GYXKOYYPQUNYIY-UHFFFAOYSA-N 0 0 391.552 7.267 50 30 GKEARN CCCCCCCCCCCCCCOC(=O)[C@H](N)[C@@H](O)c1ccccc1 ZINC000070665734 520006181 /nfs/dbraw/zinc/00/61/81/520006181.db2.gz OIVGXPSRTPKUPQ-YADHBBJMSA-N 0 0 377.569 5.292 50 30 biogenic GKEARN CCCCCCCCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000100307973 520009464 /nfs/dbraw/zinc/00/94/64/520009464.db2.gz CMJWGHFNAUQHSY-UHFFFAOYSA-N 0 0 394.987 5.036 50 30 GKEARN CCCCCCCCCCCCSCC(=O)Nc1nc2ccccc2s1 ZINC000033355154 520014056 /nfs/dbraw/zinc/01/40/56/520014056.db2.gz MYUFVUZHTQFSBB-UHFFFAOYSA-N 0 0 392.634 6.889 50 30 GKEARN CCCCCCCCCCCCSC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000100971437 520014252 /nfs/dbraw/zinc/01/42/52/520014252.db2.gz BDLUMQQNKIYXKT-UHFFFAOYSA-N 0 0 380.554 7.089 50 30 GKEARN CCCCCCCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000097950537 520020076 /nfs/dbraw/zinc/02/00/76/520020076.db2.gz UPIZUQZBENTURE-UHFFFAOYSA-N 0 0 387.549 5.006 50 30 GKEARN CCCCCCCCCCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000098001355 520021013 /nfs/dbraw/zinc/02/10/13/520021013.db2.gz FHRDOGJIFDQXKW-UHFFFAOYSA-N 0 0 395.543 6.545 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000100165635 520021659 /nfs/dbraw/zinc/02/16/59/520021659.db2.gz VQNVZRBOQARDPL-UHFFFAOYSA-N 0 0 395.543 6.661 50 30 GKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1 ZINC000097997159 520021950 /nfs/dbraw/zinc/02/19/50/520021950.db2.gz BKLJONNTGJOJSU-PYCFMQQDSA-N 0 0 395.499 6.144 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000100034592 520022947 /nfs/dbraw/zinc/02/29/47/520022947.db2.gz JWWFDHNUMXZFFW-UHFFFAOYSA-N 0 0 382.548 7.159 50 30 GKEARN CCCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000002196640 520027634 /nfs/dbraw/zinc/02/76/34/520027634.db2.gz TYYWHCITCBQHFC-UHFFFAOYSA-N 0 0 389.543 6.887 50 30 GKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 ZINC000068569025 520029070 /nfs/dbraw/zinc/02/90/70/520029070.db2.gz CJGFFRVFUUEUNN-HPNDGRJYSA-N 0 0 379.588 7.909 50 30 GKEARN CCCCCCCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002744988 520035925 /nfs/dbraw/zinc/03/59/25/520035925.db2.gz IYHYXDMNTJEWAF-UHFFFAOYSA-N 0 0 394.946 6.646 50 30 GKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(OC)cc1 ZINC000050861901 520036044 /nfs/dbraw/zinc/03/60/44/520036044.db2.gz QHMZMTBQCLHCJY-UHFFFAOYSA-N 0 0 379.504 5.124 50 30 GKEARN CCCCCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000097957196 520037306 /nfs/dbraw/zinc/03/73/06/520037306.db2.gz NMTRUIWIWVRJFS-UHFFFAOYSA-N 0 0 384.955 6.439 50 30 GKEARN CCCCCCCCO[P@@](=O)(CCCCCC)Oc1ccc([N+](=O)[O-])cc1 ZINC000255963064 520041324 /nfs/dbraw/zinc/04/13/24/520041324.db2.gz ASHRBQSEDCWUGD-MHZLTWQESA-N 0 0 399.468 7.124 50 30 in-vitro GKEARN CCCCCCCCOc1ccc(/C=C/c2nc(-c3ccccc3)cs2)cc1 ZINC000103012164 520041887 /nfs/dbraw/zinc/04/18/87/520041887.db2.gz BSPZERKSJHVKEU-OBGWFSINSA-N 0 0 391.580 7.720 50 30 GKEARN CCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 ZINC000097997851 520042168 /nfs/dbraw/zinc/04/21/68/520042168.db2.gz YSLLSTYBZAIXMY-UHFFFAOYSA-N 0 0 396.619 7.786 50 30 GKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCC)cc2)cc1 ZINC000097949728 520043110 /nfs/dbraw/zinc/04/31/10/520043110.db2.gz DXNLJFZXBROIRW-UHFFFAOYSA-N 0 0 396.527 6.628 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1 ZINC000097968537 520043571 /nfs/dbraw/zinc/04/35/71/520043571.db2.gz SJGHGSPAVHWKBU-RELWKKBWSA-N 0 0 376.496 6.407 50 30 GKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CC)cc2)cc1 ZINC000097950381 520043742 /nfs/dbraw/zinc/04/37/42/520043742.db2.gz XYNALELVAYITIW-UHFFFAOYSA-N 0 0 382.500 6.238 50 30 GKEARN CCCCCCCCOc1ccc([C@H]2SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000102739124 520045929 /nfs/dbraw/zinc/04/59/29/520045929.db2.gz VLHCYXKAZQSSRC-XMMPIXPASA-N 0 0 397.584 6.513 50 30 GKEARN CCCCCCCCc1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000097998429 520049893 /nfs/dbraw/zinc/04/98/93/520049893.db2.gz FKNGFUKQJFFCFT-UHFFFAOYSA-N 0 0 389.333 6.571 50 30 GKEARN CCCCCCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000050704983 520052301 /nfs/dbraw/zinc/05/23/01/520052301.db2.gz UYZCJMMDLYUBIX-QFIPXVFZSA-N 0 0 390.615 7.747 50 30 GKEARN CCCCCCCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000098045481 520053058 /nfs/dbraw/zinc/05/30/58/520053058.db2.gz BNINFPYTHAMWDS-NRFANRHFSA-N 0 0 394.559 5.854 50 30 GKEARN CCCCCCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000102350867 520054761 /nfs/dbraw/zinc/05/47/61/520054761.db2.gz GNYQFFJWLVLREQ-UHFFFAOYSA-N 0 0 388.515 5.587 50 30 GKEARN CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(OC)cc1 ZINC000050861899 520056330 /nfs/dbraw/zinc/05/63/30/520056330.db2.gz HRDAMXJXSYTCRX-UHFFFAOYSA-N 0 0 379.504 5.043 50 30 GKEARN CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 ZINC000102079627 520061187 /nfs/dbraw/zinc/06/11/87/520061187.db2.gz ULYMBUCRPNJLNV-UHFFFAOYSA-N 0 0 395.930 6.991 50 30 GKEARN CCCCCCCOc1ccc(-c2nc(/C=C/c3ccccc3)cc(=O)o2)cc1 ZINC000100793677 520061469 /nfs/dbraw/zinc/06/14/69/520061469.db2.gz WTTDDWJCXHVRRO-NTCAYCPXSA-N 0 0 389.495 6.221 50 30 GKEARN CCCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000100732381 520061936 /nfs/dbraw/zinc/06/19/36/520061936.db2.gz SVDZXQYRKBCTQR-PGMHBOJBSA-N 0 0 397.902 6.034 50 30 GKEARN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 ZINC000002113347 520065720 /nfs/dbraw/zinc/06/57/20/520065720.db2.gz MKNKRSSGABOLOZ-IBGZPJMESA-N 0 0 396.516 5.697 50 30 GKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(CCCC)cc3)n2)cc1 ZINC000003022791 520069892 /nfs/dbraw/zinc/06/98/92/520069892.db2.gz HKNRACFINYKKGH-UHFFFAOYSA-N 0 0 376.544 7.259 50 30 GKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000003064757 520070228 /nfs/dbraw/zinc/07/02/28/520070228.db2.gz XSQVYEWBLVGAAQ-UHFFFAOYSA-N 0 0 397.518 6.957 50 30 GKEARN CCCNc1c2ccccc2oc(=O)c1NC([O-])=[NH+]c1cc(Cl)ccc1C ZINC000028048688 520127561 /nfs/dbraw/zinc/12/75/61/520127561.db2.gz MZQASLQZCOJAGM-UHFFFAOYSA-N 0 0 385.851 5.234 50 30 GKEARN CC/C=N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000102320327 520203927 /nfs/dbraw/zinc/20/39/27/520203927.db2.gz WYNULXLCEYYXEZ-WHUHFWRHSA-N 0 0 394.474 5.085 50 30 GKEARN CC/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC ZINC000101706254 520206144 /nfs/dbraw/zinc/20/61/44/520206144.db2.gz FDGMHVXFEWDBLE-GZNJHTOZSA-N 0 0 392.933 5.396 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000002896290 520227982 /nfs/dbraw/zinc/22/79/82/520227982.db2.gz ZIOTUEDNRBXNQW-OAQYLSRUSA-N 0 0 399.506 5.163 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2 ZINC000036522122 520255386 /nfs/dbraw/zinc/25/53/86/520255386.db2.gz OOPVWEDAQPUTMZ-FQEVSTJZSA-N 0 0 393.483 5.229 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 ZINC000019418908 520257059 /nfs/dbraw/zinc/25/70/59/520257059.db2.gz BHEHSWJFHAYKMZ-UHFFFAOYSA-N 0 0 383.919 5.313 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccccc1Cl ZINC000019805448 520257911 /nfs/dbraw/zinc/25/79/11/520257911.db2.gz WOUVTKDIPNMELY-CTNGQTDRSA-N 0 0 389.882 5.382 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000033391568 520265376 /nfs/dbraw/zinc/26/53/76/520265376.db2.gz KERNZZBEJXHXKW-YUIUBULTSA-N 0 0 389.455 5.157 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000018115891 520266272 /nfs/dbraw/zinc/26/62/72/520266272.db2.gz MPILGQLMLLPXKN-HXUWFJFHSA-N 0 0 386.417 5.927 50 30 GKEARN CCCOc1ccccc1/C=C1\CC/C(=C\c2ccccc2OCCC)C1=O ZINC000004614246 520471036 /nfs/dbraw/zinc/47/10/36/520471036.db2.gz QVWQOFSDUSHGBP-KSTNYAOJSA-N 0 0 376.496 6.094 50 30 GKEARN CC1(C)c2ccccc2N=C1C=c1c(=O)c(=CC2Nc3ccccc3C2(C)C)c1=O ZINC000101870991 520686581 /nfs/dbraw/zinc/68/65/81/520686581.db2.gz VIIQDTCKCNREAM-KITWBGPISA-N 0 0 396.490 5.659 50 30 GKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 ZINC000003094422 520699672 /nfs/dbraw/zinc/69/96/72/520699672.db2.gz HELHPUJNDFALCL-QFIPXVFZSA-N 0 0 395.543 5.196 50 30 GKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 ZINC000019972794 520820242 /nfs/dbraw/zinc/82/02/42/520820242.db2.gz RUWJXLLHZUAYQC-JOCHJYFZSA-N 0 0 397.490 5.060 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019990646 520820726 /nfs/dbraw/zinc/82/07/26/520820726.db2.gz BGTPOMVJGXNYOG-NRFANRHFSA-N 0 0 399.918 5.184 50 30 GKEARN CCOc1ccc(C=C2SC(=Nc3cccc(Cl)c3)NC2=O)cc1OC ZINC000006554496 520849172 /nfs/dbraw/zinc/84/91/72/520849172.db2.gz FYOSFBSFPKLMLS-YVLHZVERSA-N 0 0 388.876 5.479 50 30 GKEARN CC1=C2CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CCC1=O ZINC000257350245 520849409 /nfs/dbraw/zinc/84/94/09/520849409.db2.gz VWIGOBCYZDKRDK-WSQGQNLJSA-N 0 0 398.675 7.987 50 30 GKEARN CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(Oc4ccccc4)cc3)c3cccc1c32 ZINC000013661940 520853019 /nfs/dbraw/zinc/85/30/19/520853019.db2.gz QMBAPUSRXXGMLT-SLEBQGDGSA-N 0 0 394.474 6.142 50 30 GKEARN CCCCOc1ccc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)cc1 ZINC000012377889 520858160 /nfs/dbraw/zinc/85/81/60/520858160.db2.gz BJTYIMFOJHJXQS-LTGZKZEYSA-N 0 0 398.462 5.825 50 30 GKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccccc3OCC)C(=O)N2CC)cc1 ZINC000097464894 520858726 /nfs/dbraw/zinc/85/87/26/520858726.db2.gz FZHAASNDGHSIOZ-PKEPYMRNSA-N 0 0 396.512 5.108 50 30 GKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000005872851 520871116 /nfs/dbraw/zinc/87/11/16/520871116.db2.gz BBPBSGWBOORDDN-PGMHBOJBSA-N 0 0 383.447 5.958 50 30 GKEARN CCOc1ccc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc1 ZINC000005872861 520871154 /nfs/dbraw/zinc/87/11/54/520871154.db2.gz AVJLGYYQROZYTL-HMMYKYKNSA-N 0 0 387.410 5.789 50 30 GKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000005872857 520872697 /nfs/dbraw/zinc/87/26/97/520872697.db2.gz XVTYETYHSKZUOR-PGMHBOJBSA-N 0 0 399.446 5.659 50 30 GKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019792966 520932705 /nfs/dbraw/zinc/93/27/05/520932705.db2.gz DTTGOTRBJWQXNA-UHFFFAOYSA-N 0 0 393.527 5.059 50 30 GKEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(Cl)cc1Cl ZINC000013961063 520978726 /nfs/dbraw/zinc/97/87/26/520978726.db2.gz ATAHQFSLRVRVEL-UFWORHAWSA-N 0 0 379.263 5.297 50 30 GKEARN CCOc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000005023511 521031590 /nfs/dbraw/zinc/03/15/90/521031590.db2.gz SWTFROYCDZZIIM-MEFGMAGPSA-N 0 0 398.491 5.702 50 30 GKEARN N#CC(=NNc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000006885697 534542292 /nfs/dbraw/zinc/54/22/92/534542292.db2.gz VMKXDZBCNPCELI-SGWCAAJKSA-N 0 0 398.466 5.956 50 30 GKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1O ZINC000100505844 521317223 /nfs/dbraw/zinc/31/72/23/521317223.db2.gz CFGRWWBTBBVYLU-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1cccc(F)c1)C(=O)c1ccccc1-2 ZINC000100859147 521402524 /nfs/dbraw/zinc/40/25/24/521402524.db2.gz WAQHUUTUNLPXDR-PDGQHHTCSA-N 0 0 391.398 5.220 50 30 GKEARN CCOC(=O)c1ccc(/N=C/c2ccccc2Oc2ccc(F)c(F)c2)cc1 ZINC000100216162 521461990 /nfs/dbraw/zinc/46/19/90/521461990.db2.gz NHTZLTURKXXSLK-AFUMVMLFSA-N 0 0 381.378 5.684 50 30 GKEARN CCN1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C\c2ccc(SC)cc2)C1 ZINC000012604476 521541124 /nfs/dbraw/zinc/54/11/24/521541124.db2.gz SFORYGQDOYEGTA-LRVMPXQBSA-N 0 0 395.593 5.502 50 30 GKEARN CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=Nc1ccccc1 ZINC000254656053 521542193 /nfs/dbraw/zinc/54/21/93/521542193.db2.gz CPRQVGSGJMQBAJ-FRDZJSBXSA-N 0 0 382.532 6.825 50 30 GKEARN CCOc1ccccc1[C@H]1C2=C(NC3=C1C(=O)CC(C)(C)C3)c1ccccc1C2=O ZINC000100636568 521590745 /nfs/dbraw/zinc/59/07/45/521590745.db2.gz BTKMKNNZVUQJOJ-OAQYLSRUSA-N 0 0 399.490 5.023 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OCC)cc1)O2 ZINC000020647907 521648063 /nfs/dbraw/zinc/64/80/63/521648063.db2.gz FOBDWLMNYSWIHH-JCMHNJIXSA-N 0 0 395.499 5.029 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000032501341 521648261 /nfs/dbraw/zinc/64/82/61/521648261.db2.gz OLZKXKQHUCMHPA-HMAPJEAMSA-N 0 0 391.467 5.377 50 30 GKEARN CCC/C(=N\NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccc(Cl)s1 ZINC000017081639 521658497 /nfs/dbraw/zinc/65/84/97/521658497.db2.gz XKICEIABKDIKHV-CAPFRKAQSA-N 0 0 398.981 5.083 50 30 GKEARN CCSC1=N/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)S1 ZINC000004953760 521695250 /nfs/dbraw/zinc/69/52/50/521695250.db2.gz XKDZMJNTGLWFCV-WJDWOHSUSA-N 0 0 389.929 5.642 50 30 GKEARN CCCN1c2ccccc2C(=C2SC(=Nc3ccccc3Cl)NC2=O)C1=O ZINC000015015833 521698296 /nfs/dbraw/zinc/69/82/96/521698296.db2.gz GUSUEQGEGWHVDP-MSUUIHNZSA-N 0 0 397.887 5.199 50 30 GKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2cccc3ccccc23)ccc1O ZINC000100507503 521907209 /nfs/dbraw/zinc/90/72/09/521907209.db2.gz YZBITJNZSGATBI-WGOQTCKBSA-N 0 0 393.446 5.619 50 30 GKEARN COc1cc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)ccc1OCC#N ZINC000096767132 521985063 /nfs/dbraw/zinc/98/50/63/521985063.db2.gz WPHRHHVBORVYQR-WQLSENKSSA-N 0 0 382.419 5.576 50 30 GKEARN COc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000003958998 521995039 /nfs/dbraw/zinc/99/50/39/521995039.db2.gz ADWHLPGNBBFRII-UFFVCSGVSA-N 0 0 387.892 5.139 50 30 GKEARN COc1cc(/C=N/c2ccc(N(C)C)cc2)ccc1OCc1ccccc1Cl ZINC000100384113 521998872 /nfs/dbraw/zinc/99/88/72/521998872.db2.gz QWBXQTWMEATWNP-MFKUBSTISA-N 0 0 394.902 5.744 50 30 GKEARN COc1cc(C=NNc2cccc(Br)c2)cc(Cl)c1OC(C)C ZINC000028632553 522007921 /nfs/dbraw/zinc/00/79/21/522007921.db2.gz BIXAWPPAWVOHLG-JMIUGGIZSA-N 0 0 397.700 5.344 50 30 GKEARN COc1cc(NC2=CC(=O)C[C@H](c3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000102679948 522012142 /nfs/dbraw/zinc/01/21/42/522012142.db2.gz PBJHRGATSMGRSR-FRHATRPNSA-N 0 0 375.827 5.588 50 30 GKEARN COc1cc(C)c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C ZINC000015013273 522182008 /nfs/dbraw/zinc/18/20/08/522182008.db2.gz HNAJYLVDSSKSDM-YBFXNURJSA-N 0 0 384.476 5.158 50 30 GKEARN Cc1nc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cn2n1 ZINC000328592246 534653324 /nfs/dbraw/zinc/65/33/24/534653324.db2.gz ZLVPWLVWGJPGNT-UHFFFAOYSA-N 0 0 396.372 5.360 50 30 GKEARN CO/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253507412 522737804 /nfs/dbraw/zinc/73/78/04/522737804.db2.gz CTVOPPAULYUILQ-WUIQRKSISA-N 0 0 397.603 6.327 50 30 biogenic GKEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1CC=C(C)C ZINC000004473138 522786777 /nfs/dbraw/zinc/78/67/77/522786777.db2.gz ICIUTEMGFDFTHB-GXDHUFHOSA-N 0 0 378.512 6.232 50 30 GKEARN COc1cc2c(cc1C)/C(=N\OC(=O)c1cc(SC)ccc1Cl)CCC2 ZINC000004459118 522996596 /nfs/dbraw/zinc/99/65/96/522996596.db2.gz LKJAZZBUMIZHSK-PYCFMQQDSA-N 0 0 389.904 5.276 50 30 GKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)C2=O)cn1 ZINC000020607929 523307142 /nfs/dbraw/zinc/30/71/42/523307142.db2.gz XKRIBCLXBKPPCM-ITHHBNOISA-N 0 0 390.527 5.030 50 30 GKEARN CCn1cc(/C=C2\Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2ccccc21 ZINC000028182682 523307214 /nfs/dbraw/zinc/30/72/14/523307214.db2.gz KAKMSOCEWQNFNC-UCQKPKSFSA-N 0 0 387.479 5.931 50 30 GKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000036614385 523308160 /nfs/dbraw/zinc/30/81/60/523308160.db2.gz XKRIBCLXBKPPCM-GGODIMCTSA-N 0 0 390.527 5.030 50 30 GKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000004795667 523363750 /nfs/dbraw/zinc/36/37/50/523363750.db2.gz GHVVADUXOLVLHG-SSDVNMTOSA-N 0 0 392.311 5.962 50 30 GKEARN COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1O ZINC000033498575 523380123 /nfs/dbraw/zinc/38/01/23/523380123.db2.gz VIBMLTDBHZBHHT-GHRIWEEISA-N 0 0 387.460 5.434 50 30 GKEARN COc1ccc(/C=C(\C(=O)c2ccc(OC)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000033619017 523380537 /nfs/dbraw/zinc/38/05/37/523380537.db2.gz HONZYNSDLDVSFM-HMMYKYKNSA-N 0 0 384.435 5.004 50 30 GKEARN COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1O ZINC000004986728 523381000 /nfs/dbraw/zinc/38/10/00/523381000.db2.gz VIBMLTDBHZBHHT-LGMDPLHJSA-N 0 0 387.460 5.434 50 30 GKEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccc(F)cc1 ZINC000004812790 523402503 /nfs/dbraw/zinc/40/25/03/523402503.db2.gz RNJCYYCHKKMZQP-SWGQDTFXSA-N 0 0 378.399 5.015 50 30 GKEARN COc1ccc(/C=C2/C[C@]3(C)[C@@H]4CC[C@]5(C)CCC[C@H]5[C@H]4CC[C@H]3CC2=O)cc1 ZINC000257349144 523411752 /nfs/dbraw/zinc/41/17/52/523411752.db2.gz LTFRLNBDXHBWRH-RSDAEFMDSA-N 0 0 392.583 6.690 50 30 GKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)cc1 ZINC000012374182 523425448 /nfs/dbraw/zinc/42/54/48/523425448.db2.gz VODYDYAQZYSKKD-UUYOSTAYSA-N 0 0 392.838 5.544 50 30 biogenic GKEARN COc1ccc(/C=N/CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC ZINC000096448096 523438374 /nfs/dbraw/zinc/43/83/74/523438374.db2.gz KTHVRAMBASNPCB-MQHZAWOVSA-N 0 0 381.516 5.040 50 30 biogenic GKEARN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)nc3ccccc32)c(OC)c1 ZINC000004989717 523447314 /nfs/dbraw/zinc/44/73/14/523447314.db2.gz ALTHSGHPTSPSFL-MFKUBSTISA-N 0 0 398.466 5.068 50 30 GKEARN COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000005526857 523447437 /nfs/dbraw/zinc/44/74/37/523447437.db2.gz NXNDNMQNFJDZLR-LFVJCYFKSA-N 0 0 385.492 5.932 50 30 GKEARN COc1ccc(/N=C/c2ccc(OC)c(COc3cccc(C)c3C)c2)cc1 ZINC000002266516 523467243 /nfs/dbraw/zinc/46/72/43/523467243.db2.gz NCKAVDUWMWJADH-MFKUBSTISA-N 0 0 375.468 5.650 50 30 GKEARN COc1ccc(N=NC(N=Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004950436 523472497 /nfs/dbraw/zinc/47/24/97/523472497.db2.gz GLAMZVJETSQMSM-JVVTXYFXSA-N 0 0 375.388 5.161 50 30 GKEARN COc1ccc(C(=O)C=C(CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000004369272 523534922 /nfs/dbraw/zinc/53/49/22/523534922.db2.gz LJBKCXUKORPYRU-CAPFRKAQSA-N 0 0 390.866 5.888 50 30 GKEARN COc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1OC ZINC000004819098 523535147 /nfs/dbraw/zinc/53/51/47/523535147.db2.gz BRDZPEFRLDFJAT-HPGKUWCESA-N 0 0 387.439 5.928 50 30 GKEARN COc1ccc(C(=O)C=C(CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000012367655 523537059 /nfs/dbraw/zinc/53/70/59/523537059.db2.gz LJBKCXUKORPYRU-SILNSSARSA-N 0 0 390.866 5.888 50 30 GKEARN CN(/N=C\c1ccc(F)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032691021 523771806 /nfs/dbraw/zinc/77/18/06/523771806.db2.gz YSSVFUHECLDWAU-ONUIUJJFSA-N 0 0 382.442 5.420 50 30 GKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000028051671 524041143 /nfs/dbraw/zinc/04/11/43/524041143.db2.gz YMYUGJLLILEKJS-AUSIDOKSSA-N 0 0 384.479 5.504 50 30 GKEARN Cc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c1 ZINC000009304686 524152492 /nfs/dbraw/zinc/15/24/92/524152492.db2.gz XQAGCYLDFSRBBL-BESOIZRISA-N 0 0 382.415 5.230 50 30 GKEARN COc1cccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1 ZINC000018144857 524172679 /nfs/dbraw/zinc/17/26/79/524172679.db2.gz KXBFDSVFWJRDIN-HXUWFJFHSA-N 0 0 385.463 5.473 50 30 GKEARN Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccccc3Cl)cc2[N+](=O)[O-])c1 ZINC000003112866 524224232 /nfs/dbraw/zinc/22/42/32/524224232.db2.gz VOUMSJHLBJPOIQ-YDZHTSKRSA-N 0 0 394.814 5.526 50 30 GKEARN O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ccccc2c1 ZINC000005214814 534773430 /nfs/dbraw/zinc/77/34/30/534773430.db2.gz GEEQQHJZJWTESO-ZRDIBKRKSA-N 0 0 392.376 7.015 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1 ZINC000005214812 534773574 /nfs/dbraw/zinc/77/35/74/534773574.db2.gz XHHHLJLSRPRBIR-DHZHZOJOSA-N 0 0 393.269 7.303 50 30 GKEARN COc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000013476468 524322159 /nfs/dbraw/zinc/32/21/59/524322159.db2.gz FDRCOMCBXNHQEH-BUUFFXLRSA-N 0 0 386.476 5.504 50 30 GKEARN COc1ccccc1/C=C1\C[C@H](C(C)(C)C)C/C(=C/c2ccccc2OC)C1=O ZINC000250701965 524322700 /nfs/dbraw/zinc/32/27/00/524322700.db2.gz OKTVPYPAHDZGIJ-IHDHVBRQSA-N 0 0 390.523 6.196 50 30 GKEARN COc1ccccc1C(=O)Oc1ccc(Cl)cc1C(=O)/C=C/c1cccs1 ZINC000004833989 524362380 /nfs/dbraw/zinc/36/23/80/524362380.db2.gz NTCYSBZPHDAQAF-MDZDMXLPSA-N 0 0 398.867 5.525 50 30 GKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000012662669 524362481 /nfs/dbraw/zinc/36/24/81/524362481.db2.gz OIHAPHALMDRGNT-JEUHMODBSA-N 0 0 398.414 5.087 50 30 biogenic GKEARN COc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000004996062 524380801 /nfs/dbraw/zinc/38/08/01/524380801.db2.gz CHOSCUCUYNRMOT-LHLOQNFPSA-N 0 0 384.464 5.312 50 30 GKEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000004135155 524381249 /nfs/dbraw/zinc/38/12/49/524381249.db2.gz QXSFGIBHYDJSQH-LHLOQNFPSA-N 0 0 384.464 5.312 50 30 GKEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000005023896 524381655 /nfs/dbraw/zinc/38/16/55/524381655.db2.gz QXSFGIBHYDJSQH-QOMWVZHYSA-N 0 0 384.464 5.312 50 30 GKEARN Cc1ccc(COc2ccccc2/C=N/NC(=S)Nc2ccccc2C)cc1 ZINC000004599707 524631427 /nfs/dbraw/zinc/63/14/27/524631427.db2.gz KVAOAJNVYONMMQ-BUVRLJJBSA-N 0 0 389.524 5.203 50 30 GKEARN Cc1cccc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)c1 ZINC000079067616 524784495 /nfs/dbraw/zinc/78/44/95/524784495.db2.gz JIWOROPBQPTIKH-UHFFFAOYSA-N 0 0 386.455 5.130 50 30 GKEARN COc1ccccc1[C@H](CC/N=C/c1ccccc1O)[C@H]1CCOC(C)(C)C1 ZINC000100744488 524789293 /nfs/dbraw/zinc/78/92/93/524789293.db2.gz RFBQGXKIZQGLDS-XLHPUGLWSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN COc1ccc(OC)c(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)c1 ZINC000004811401 524797870 /nfs/dbraw/zinc/79/78/70/524797870.db2.gz ZDENFGIODJUVSQ-CYVLTUHYSA-N 0 0 385.419 5.269 50 30 GKEARN Cc1cc(Cl)ccc1/N=C/c1ccc(/C=N/c2ccc(Cl)cc2C)cc1 ZINC000017060280 524879730 /nfs/dbraw/zinc/87/97/30/524879730.db2.gz INRUPKNLUGMVIP-BKHCZYBLSA-N 0 0 381.306 7.111 50 30 GKEARN Cc1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000012378350 524911345 /nfs/dbraw/zinc/91/13/45/524911345.db2.gz FWVUOSOTOJNSKE-UHFFFAOYSA-N 0 0 398.915 5.204 50 30 GKEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000012360320 534819273 /nfs/dbraw/zinc/81/92/73/534819273.db2.gz AJZLPRNGSRKHSB-HMAPJEAMSA-N 0 0 383.834 5.991 50 30 GKEARN Cc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000013856033 524953127 /nfs/dbraw/zinc/95/31/27/524953127.db2.gz CULAQAUVUSLCDQ-UHFFFAOYSA-N 0 0 384.479 6.158 50 30 GKEARN Cc1ccccc1NN=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004175316 534821136 /nfs/dbraw/zinc/82/11/36/534821136.db2.gz UINWSIMGQJTMNC-LFVJCYFKSA-N 0 0 387.295 5.765 50 30 GKEARN Cc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1C ZINC000002842654 525041030 /nfs/dbraw/zinc/04/10/30/525041030.db2.gz HDYMCSGTWPNHMD-CZYCKNNWSA-N 0 0 388.514 7.472 50 30 GKEARN COc1ccc([C@@H](CC/N=C/c2ccccc2O)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004027840 525177310 /nfs/dbraw/zinc/17/73/10/525177310.db2.gz MFJRMYNIXYXNOJ-BPBPGELDSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN Cc1ccccc1C[C@H]1S/C(=N/N=C/c2ccccc2)N(c2ccccc2)C1=O ZINC000028294296 525199677 /nfs/dbraw/zinc/19/96/77/525199677.db2.gz GVJYKXMMLRULQL-IJGBZFIWSA-N 0 0 399.519 5.076 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1 ZINC000020745458 525234035 /nfs/dbraw/zinc/23/40/35/525234035.db2.gz JKWPECDRTOODDB-LHSJRXKWSA-N 0 0 392.480 5.011 50 30 GKEARN Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1 ZINC000101364007 525266704 /nfs/dbraw/zinc/26/67/04/525266704.db2.gz YFZJISJKNCUYNG-UHFFFAOYSA-N 0 0 379.381 6.191 50 30 GKEARN CSC(SC)=C1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000028294612 525292990 /nfs/dbraw/zinc/29/29/90/525292990.db2.gz GXGUEROTNOGLSZ-GIWDSIGISA-N 0 0 378.647 6.536 50 30 GKEARN O=C1c2[nH]c3ccccc3c2CCC1=CNc1cccc(Oc2ccccc2)c1 ZINC000100329869 534848120 /nfs/dbraw/zinc/84/81/20/534848120.db2.gz DLFLSKGXSGCWSY-WUKNDPDISA-N 0 0 380.447 6.085 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccc(O)cc1 ZINC000017186164 525342916 /nfs/dbraw/zinc/34/29/16/525342916.db2.gz ZSGGXLIEVQCPHK-ATJXCDBQSA-N 0 0 379.529 5.591 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C)c1 ZINC000100495099 525343250 /nfs/dbraw/zinc/34/32/50/525343250.db2.gz CVMNVPYCYBBXNQ-LVWGJNHUSA-N 0 0 391.584 6.584 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC(=C1Nc3ccccc3N1)C2=O ZINC000245015226 525348769 /nfs/dbraw/zinc/34/87/69/525348769.db2.gz LSAJYPFOWSXELJ-NXSZCSDFSA-N 0 0 390.571 6.347 50 30 GKEARN Cc1ccc(OC(=O)c2ccc(F)cc2)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013766195 525366624 /nfs/dbraw/zinc/36/66/24/525366624.db2.gz FJXRCBPVFQKHGW-BKUYFWCQSA-N 0 0 390.435 5.683 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000018106986 525399888 /nfs/dbraw/zinc/39/98/88/525399888.db2.gz JPSRTIPVKBXNMI-CJAUYULYSA-N 0 0 397.478 5.070 50 30 biogenic,in-vitro GKEARN COc1ccc([C@H]2CC(=O)C=C(NCc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000100424126 525400755 /nfs/dbraw/zinc/40/07/55/525400755.db2.gz OWNGHCKLXSGQCR-OAHLLOKOSA-N 0 0 376.283 5.122 50 30 GKEARN COc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000005540834 525426019 /nfs/dbraw/zinc/42/60/19/525426019.db2.gz JAWNGGCVNXIWKM-NOBPMBFOSA-N 0 0 385.463 5.368 50 30 GKEARN Cc1ccc(Oc2ncccc2/C=N/OCc2ccc(Cl)cc2Cl)cc1 ZINC000003105126 525479394 /nfs/dbraw/zinc/47/93/94/525479394.db2.gz SXGGDNPWDSAJCZ-WYMPLXKRSA-N 0 0 387.266 6.040 50 30 GKEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccccc2C)c2ccc(Cl)cc2)cc1 ZINC000012378349 525482865 /nfs/dbraw/zinc/48/28/65/525482865.db2.gz ZXEFJJLSMRZOPE-UHFFFAOYSA-N 0 0 398.915 5.204 50 30 GKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC/C(=C\c4ccccc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000257347292 525534832 /nfs/dbraw/zinc/53/48/32/525534832.db2.gz CZUYRYFVJAOCAN-OERBNIAASA-N 0 0 386.535 6.204 50 30 GKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC=C(C)C)ccc3C1=O)cn2C ZINC000028182740 525600539 /nfs/dbraw/zinc/60/05/39/525600539.db2.gz ZNEJXXBNJCFAPZ-KSEXSDGBSA-N 0 0 389.451 5.148 50 30 GKEARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101764171 525628197 /nfs/dbraw/zinc/62/81/97/525628197.db2.gz VYJSQICIZLJLJQ-HWYHRHGKSA-N 0 0 386.417 5.767 50 30 GKEARN Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1 ZINC000024755373 525649527 /nfs/dbraw/zinc/64/95/27/525649527.db2.gz DOIWDQGOWPPKNI-QGZVFWFLSA-N 0 0 378.522 5.396 50 30 GKEARN Cc1cc2nc(-c3cccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2cc1C ZINC000005541735 525667875 /nfs/dbraw/zinc/66/78/75/525667875.db2.gz IMSBZJWXMUXLGB-DGFIHBCQSA-N 0 0 397.434 6.436 50 30 GKEARN Cc1c(C(=O)OCC#N)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000036185820 525670038 /nfs/dbraw/zinc/67/00/38/525670038.db2.gz LGFYYNPJIMCEAW-UHFFFAOYSA-N 0 0 382.388 5.032 50 30 GKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C\c2cccc(C)c2)cc1 ZINC000098052985 525711438 /nfs/dbraw/zinc/71/14/38/525711438.db2.gz HQHDZDWXJBQWKL-SSZFMOIBSA-N 0 0 377.487 6.723 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3O)n2)cc1 ZINC000004947452 525713355 /nfs/dbraw/zinc/71/33/55/525713355.db2.gz UEUGFZULTXULHV-PCLIKHOPSA-N 0 0 380.451 5.271 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(F)cc3)n2)cc1 ZINC000004947460 525714683 /nfs/dbraw/zinc/71/46/83/525714683.db2.gz XEYZJWQHTWLEOK-WGOQTCKBSA-N 0 0 382.442 5.704 50 30 GKEARN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)c1 ZINC000007140925 525729454 /nfs/dbraw/zinc/72/94/54/525729454.db2.gz JIOCEHJFDORJBK-OUKQBFOZSA-N 0 0 386.476 5.506 50 30 GKEARN COc1cccc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O ZINC000098086855 525775269 /nfs/dbraw/zinc/77/52/69/525775269.db2.gz XZKLLJCSAWYRPJ-ZVHZXABRSA-N 0 0 386.407 5.150 50 30 GKEARN COc1cccc(/C=N/c2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)c1O ZINC000018094214 525775376 /nfs/dbraw/zinc/77/53/76/525775376.db2.gz KOUAJUMMCBXFLO-CVKSISIWSA-N 0 0 394.430 6.113 50 30 GKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1O ZINC000012374193 525777856 /nfs/dbraw/zinc/77/78/56/525777856.db2.gz JJUHCBWZOFHMGU-ZBKNUEDVSA-N 0 0 394.283 5.277 50 30 GKEARN COc1cccc(C(=O)Oc2ccc(Cl)cc2C(=O)/C=C/c2cccs2)c1 ZINC000004279027 525839928 /nfs/dbraw/zinc/83/99/28/525839928.db2.gz ZALLQPDTZKNKGA-CMDGGOBGSA-N 0 0 398.867 5.525 50 30 GKEARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SCCC#N)c(C)c1 ZINC000003363572 525897139 /nfs/dbraw/zinc/89/71/39/525897139.db2.gz RFDFHXNZWLJSDA-UHFFFAOYSA-N 0 0 398.535 5.634 50 30 GKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC(=C1Nc3ccccc3N1)C2=O ZINC000253499670 525913921 /nfs/dbraw/zinc/91/39/21/525913921.db2.gz LSAJYPFOWSXELJ-ZDVYZBNDSA-N 0 0 390.571 6.347 50 30 GKEARN C[C@H](/N=C/c1nc2ccccc2n1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000085944153 525916905 /nfs/dbraw/zinc/91/69/05/525916905.db2.gz ZTORHTHCGSQURI-VEKPNHBOSA-N 0 0 397.566 6.108 50 30 GKEARN C[C@H](/N=C/c1ccc(O)c(Cc2c(F)cccc2Cl)c1O)c1ccccc1 ZINC000100092756 525918903 /nfs/dbraw/zinc/91/89/03/525918903.db2.gz VRDOWJCCMQWKGX-XHCMJAMOSA-N 0 0 383.850 5.661 50 30 GKEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000004828774 525949042 /nfs/dbraw/zinc/94/90/42/525949042.db2.gz VOKAUGRLRKAITH-OVCLIPMQSA-N 0 0 391.467 5.696 50 30 GKEARN CSc1ccc(/C=C\C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000033402952 525952035 /nfs/dbraw/zinc/95/20/35/525952035.db2.gz AARQYNJWUDUSGE-XFXZXTDPSA-N 0 0 379.506 5.618 50 30 GKEARN Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000253499293 525960078 /nfs/dbraw/zinc/96/00/78/525960078.db2.gz DZQWNCYAOSAXOV-UVBLWQDNSA-N 0 0 376.584 6.990 50 30 biogenic GKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)cc1C ZINC000003112563 525967914 /nfs/dbraw/zinc/96/79/14/525967914.db2.gz DVHZROCPVNJJMI-WPWMEQJKSA-N 0 0 379.459 6.426 50 30 GKEARN Cc1ccc(NC2=N[C@](c3ccccc3)(C(F)(F)F)Oc3ccccc3O2)cc1 ZINC000017186065 525968272 /nfs/dbraw/zinc/96/82/72/525968272.db2.gz FJFQTWNUMOLOMV-NRFANRHFSA-N 0 0 398.384 5.459 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000018126221 525987426 /nfs/dbraw/zinc/98/74/26/525987426.db2.gz PKETZANZSOHIEC-IBVKSMDESA-N 0 0 380.491 5.975 50 30 GKEARN Cc1ccc(C(=O)C=C(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000004300952 526013540 /nfs/dbraw/zinc/01/35/40/526013540.db2.gz HLPWWFNYQDTTDM-QNGOZBTKSA-N 0 0 385.419 5.443 50 30 GKEARN CSc1ccc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)cc1 ZINC000100381186 526020495 /nfs/dbraw/zinc/02/04/95/526020495.db2.gz CLBFXBWOULRSHI-MDWZMJQESA-N 0 0 395.709 5.386 50 30 GKEARN CSc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004599816 526077763 /nfs/dbraw/zinc/07/77/63/526077763.db2.gz VBJDRBXVDBJKMI-QHCPKHFHSA-N 0 0 399.559 6.762 50 30 GKEARN Cc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1ccco1 ZINC000102422497 526097779 /nfs/dbraw/zinc/09/77/79/526097779.db2.gz ULPLYLQJDAHNPH-CIAFOILYSA-N 0 0 383.245 5.353 50 30 GKEARN Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102417613 526098296 /nfs/dbraw/zinc/09/82/96/526098296.db2.gz UDOFJUXQTANGKF-AFUMVMLFSA-N 0 0 388.854 6.398 50 30 GKEARN CSc1nc(N=Cc2cc3cc(C)ccc3[nH]c2=O)c(-c2ccccc2)s1 ZINC000100703065 526207847 /nfs/dbraw/zinc/20/78/47/526207847.db2.gz PCPFRUOEQSOREO-WSDLNYQXSA-N 0 0 391.521 5.845 50 30 GKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 ZINC000017015521 526209511 /nfs/dbraw/zinc/20/95/11/526209511.db2.gz CDCCTBKHXGWFTL-GYCJOSAFSA-N 0 0 398.462 5.346 50 30 GKEARN CSc1nc2ccccc2cc1/C=N/OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000006182758 526217839 /nfs/dbraw/zinc/21/78/39/526217839.db2.gz NSERMDBDNSRTLB-UFFVCSGVSA-N 0 0 391.279 5.454 50 30 GKEARN C[C@@H](/N=C/c1nc2ccccc2n1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000085944156 526235947 /nfs/dbraw/zinc/23/59/47/526235947.db2.gz ZTORHTHCGSQURI-TXIAVONZSA-N 0 0 397.566 6.108 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000003088609 526238023 /nfs/dbraw/zinc/23/80/23/526238023.db2.gz WVPYUGUOZADPRU-OGLMXYFKSA-N 0 0 393.486 6.735 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccc(Cl)c3)cc2)cc1 ZINC000004118378 526238594 /nfs/dbraw/zinc/23/85/94/526238594.db2.gz SELXASPGCUEECO-VGOFMYFVSA-N 0 0 376.839 5.764 50 30 GKEARN Cc1ccc2nc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)oc2c1 ZINC000100501535 526239630 /nfs/dbraw/zinc/23/96/30/526239630.db2.gz RJEXFEXZVBWIPQ-KMNHIJHVSA-N 0 0 399.406 5.833 50 30 GKEARN Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc(F)cc3)c(-c3ccccc3)c2c1 ZINC000036393673 526244966 /nfs/dbraw/zinc/24/49/66/526244966.db2.gz QTRLRGCYEWCRPG-RVDMUPIBSA-N 0 0 381.450 6.554 50 30 GKEARN Fc1c(F)c(F)c2c(Cl)c3c(F)c(F)c(F)c(F)c3c(Cl)c2c1F ZINC000101651057 526293528 /nfs/dbraw/zinc/29/35/28/526293528.db2.gz QQLRAWFMOWCSBU-UHFFFAOYSA-N 0 0 391.044 6.413 50 30 GKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000008337802 526315201 /nfs/dbraw/zinc/31/52/01/526315201.db2.gz BOIRNZXASLBFSH-ACCUITESSA-N 0 0 399.425 5.430 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000102419316 526341994 /nfs/dbraw/zinc/34/19/94/526341994.db2.gz HIQVZTMPKZRNSK-WSDLNYQXSA-N 0 0 393.240 5.714 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000096576790 526355081 /nfs/dbraw/zinc/35/50/81/526355081.db2.gz HOGBVHJKILMIRU-DHRITJCHSA-N 0 0 388.536 6.220 50 30 GKEARN Oc1ccccc1/C=N/[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000103547535 526370017 /nfs/dbraw/zinc/37/00/17/526370017.db2.gz NUGMMURPTOZEGE-KWKULGJVSA-N 0 0 393.486 5.489 50 30 GKEARN Oc1ccccc1/N=C(C(=N/c1ccccc1O)/c1ccccc1)\c1ccccc1 ZINC000103644201 526370457 /nfs/dbraw/zinc/37/04/57/526370457.db2.gz CSKQFTYVPABQDQ-NBHCHVEOSA-N 0 0 392.458 6.040 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(Cl)c1Cl ZINC000252429462 526389483 /nfs/dbraw/zinc/38/94/83/526389483.db2.gz RERDGJDHAPOVAN-UHFFFAOYSA-N 0 0 383.691 5.076 50 30 GKEARN Fc1ccccc1CN=Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004828606 526406896 /nfs/dbraw/zinc/40/68/96/526406896.db2.gz ODMWNRZFKSSIHJ-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN O=C(ON=C(c1cccs1)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000001038930 526433112 /nfs/dbraw/zinc/43/31/12/526433112.db2.gz OTNCUVHCFSJNAR-UHFFFAOYSA-N 0 0 381.400 5.438 50 30 GKEARN O=C(Oc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1F ZINC000004304819 526438143 /nfs/dbraw/zinc/43/81/43/526438143.db2.gz JVKFAKSJDLRDIX-CVKSISIWSA-N 0 0 377.459 5.433 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccccc1Cl ZINC000013778067 526443398 /nfs/dbraw/zinc/44/33/98/526443398.db2.gz JYOXJKVPYCGPRT-JAIQZWGSSA-N 0 0 394.785 5.315 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccccc1Cl ZINC000013777302 526443546 /nfs/dbraw/zinc/44/35/46/526443546.db2.gz XXNSXACJYAEMLF-JAIQZWGSSA-N 0 0 394.785 5.315 50 30 GKEARN N#CCCn1cc(/C=C\c2ccc3ccccc3n2)c(-c2ccc(F)c(F)c2)n1 ZINC000096766159 526466843 /nfs/dbraw/zinc/46/68/43/526466843.db2.gz VSQQFLNDINDXCM-YFHOEESVSA-N 0 0 386.405 5.461 50 30 GKEARN N#CCCn1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(-c2ccccc2)n1 ZINC000003356866 526467458 /nfs/dbraw/zinc/46/74/58/526467458.db2.gz UKWPQZSWRSOULT-UHFFFAOYSA-N 0 0 393.446 5.350 50 30 GKEARN c1ccc(N=NC2CCCC[C@@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000031948281 526479387 /nfs/dbraw/zinc/47/93/87/526479387.db2.gz ZWMBAKDHUIYDKE-DAMPMFEWSA-N 0 0 386.543 6.224 50 30 GKEARN c1ccc(N=NC(=C(NNc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000017995131 526479799 /nfs/dbraw/zinc/47/97/99/526479799.db2.gz ZYBRJAQAIDDAIV-ZUSIYWPSSA-N 0 0 390.490 6.019 50 30 GKEARN N#C[C@@H](c1cccc2ccccc21)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000004546444 526498676 /nfs/dbraw/zinc/49/86/76/526498676.db2.gz OVKHUJADPIAQQQ-UIOOFZCWSA-N 0 0 375.471 6.504 50 30 GKEARN N#C[C@H](c1cccc2ccccc21)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000004546448 526511173 /nfs/dbraw/zinc/51/11/73/526511173.db2.gz OVKHUJADPIAQQQ-CLJLJLNGSA-N 0 0 375.471 6.504 50 30 GKEARN N#Cc1ccc(C(=O)/C=C/c2cccc(/C=C\C(=O)c3ccc(C#N)cc3)c2)cc1 ZINC000096766304 526587161 /nfs/dbraw/zinc/58/71/61/526587161.db2.gz ZETCIVGEOMYJRF-DJJIWSAGSA-N 0 0 388.426 5.222 50 30 GKEARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000024758716 526683005 /nfs/dbraw/zinc/68/30/05/526683005.db2.gz LLBNVWVJWJPMTN-UHFFFAOYSA-N 0 0 386.398 5.122 50 30 GKEARN O=C(NCc1ccccc1)c1c(/N=C\c2cccc(O)c2)sc2c1CCCC2 ZINC000017821289 526737473 /nfs/dbraw/zinc/73/74/73/526737473.db2.gz KHGXOIFEMDHVGO-MYYYXRDXSA-N 0 0 390.508 5.013 50 30 GKEARN O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCC2 ZINC000098086342 526737917 /nfs/dbraw/zinc/73/79/17/526737917.db2.gz YTTZCXWVUPTNBQ-MFKUBSTISA-N 0 0 390.508 5.013 50 30 GKEARN N#Cc1sc(C#N)c(-c2ccccc2)c1C/C=N/OCc1ccccc1F ZINC000005490292 526800962 /nfs/dbraw/zinc/80/09/62/526800962.db2.gz CFRZOMUBVOYLHQ-OPEKNORGSA-N 0 0 375.428 5.043 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000043505257 526909053 /nfs/dbraw/zinc/90/90/53/526909053.db2.gz MECHNRXZTMCUDQ-OLTHVHPJSA-N 0 0 396.659 7.641 50 30 GKEARN CC(=O)Nc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000013069123 526932129 /nfs/dbraw/zinc/93/21/29/526932129.db2.gz BDDIMBGFRKSCGX-HKWRFOASSA-N 0 0 398.487 5.678 50 30 GKEARN Clc1ccc(-c2csc(N=NCc3ccc4c(c3)OCO4)n2)c(Cl)c1 ZINC000005069854 526934075 /nfs/dbraw/zinc/93/40/75/526934075.db2.gz PJBLETLDTQTONJ-IFRROFPPSA-N 0 0 392.267 5.292 50 30 GKEARN Clc1ccc(/C=N/CCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000018176358 526938365 /nfs/dbraw/zinc/93/83/65/526938365.db2.gz GPEJZVNHKMUIGF-CZGKVYIXSA-N 0 0 388.125 6.228 50 30 GKEARN Clc1ccc(CN=Nc2nc(-c3cc(-c4ccccc4)no3)cs2)cc1 ZINC000004394652 526938856 /nfs/dbraw/zinc/93/88/56/526938856.db2.gz HNGCOMQYIIGYMK-SRZZPIQSSA-N 0 0 380.860 5.565 50 30 GKEARN O=C1/C(=C\C=C\c2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000013549160 526944381 /nfs/dbraw/zinc/94/43/81/526944381.db2.gz LNFZXPUTSFDDBD-VXBDJUPTSA-N 0 0 382.488 6.051 50 30 GKEARN O=C1/C(=N/c2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1 ZINC000100400147 526948217 /nfs/dbraw/zinc/94/82/17/526948217.db2.gz RYYQQVJNXYGWHF-HIXSDJFHSA-N 0 0 381.262 5.661 50 30 GKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)csc21 ZINC000021157768 526951993 /nfs/dbraw/zinc/95/19/93/526951993.db2.gz AXDWLGBCIMAHNA-KRWDZBQOSA-N 0 0 395.911 6.107 50 30 GKEARN O=C1C=C/C(=C(/c2ccccc2)c2ccccc2Br)c2ccccc21 ZINC000038201316 526960224 /nfs/dbraw/zinc/96/02/24/526960224.db2.gz QPGPOCQMPVAMJJ-FCDQGJHFSA-N 0 0 387.276 6.161 50 30 GKEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000018032675 526967774 /nfs/dbraw/zinc/96/77/74/526967774.db2.gz KCVYURKCDSZROI-SFHVURJKSA-N 0 0 395.380 5.582 50 30 GKEARN Clc1ccccc1CN=Nc1ncc(-c2ccc3c(c2)OCCCO3)s1 ZINC000004394877 526986676 /nfs/dbraw/zinc/98/66/76/526986676.db2.gz VRVVPJGNLAIBEN-SSDVNMTOSA-N 0 0 385.876 5.071 50 30 GKEARN Clc1ccccc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000004989890 526987869 /nfs/dbraw/zinc/98/78/69/526987869.db2.gz YXJTTXKZKUHDPZ-BUVRLJJBSA-N 0 0 385.858 5.305 50 30 GKEARN O=C1C[C@H](c2cccc(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017043623 527031642 /nfs/dbraw/zinc/03/16/42/527031642.db2.gz SBWUCTYDMXDFEW-ZGKFLROHSA-N 0 0 376.456 5.725 50 30 GKEARN O=C1c2cc(F)ccc2SC/C1=C\c1ccccc1OCc1cccnc1 ZINC000096307319 527121191 /nfs/dbraw/zinc/12/11/91/527121191.db2.gz DCJGQYKOSDVOCB-LICLKQGHSA-N 0 0 377.440 5.172 50 30 GKEARN O=C1c2c(cccc2F)[C@H](c2ccccc2)C1=CNc1cccc(C(F)(F)F)c1 ZINC000013397090 527121329 /nfs/dbraw/zinc/12/13/29/527121329.db2.gz CAEYFQZJCKRDNE-ZPBCLNFZSA-N 0 0 397.371 6.169 50 30 GKEARN O=C1c2ccc(Cl)c(Cl)c2OCC/C1=C/c1cnc(-c2ccccc2)nc1 ZINC000098055415 527121337 /nfs/dbraw/zinc/12/13/37/527121337.db2.gz FEAWOCGPGDEUBG-GDNBJRDFSA-N 0 0 397.261 5.499 50 30 GKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1cccc(Cl)c1 ZINC000009531030 527122614 /nfs/dbraw/zinc/12/26/14/527122614.db2.gz DZNVPUGBYIWFHU-ZYPUKPEJSA-N 0 0 388.850 6.048 50 30 GKEARN O=C1c2ccccc2S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000033926458 527136073 /nfs/dbraw/zinc/13/60/73/527136073.db2.gz HOSWKUYLMWEWBZ-FYJGNVAPSA-N 0 0 378.880 6.249 50 30 GKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccccc1 ZINC000033405976 527140524 /nfs/dbraw/zinc/14/05/24/527140524.db2.gz DWQBJFKWGYIHLM-QINSGFPZSA-N 0 0 383.878 6.760 50 30 GKEARN O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1cc2ccccc2o1 ZINC000102419354 527154001 /nfs/dbraw/zinc/15/40/01/527154001.db2.gz PEXVLBAIXGDCQY-ZMOGYAJESA-N 0 0 390.826 5.795 50 30 GKEARN Cc1nc2sccn2c1/C=C\C(=O)c1cc2cc(Br)ccc2o1 ZINC000096765889 527209602 /nfs/dbraw/zinc/20/96/02/527209602.db2.gz AGAKEAGLLTZTFC-ARJAWSKDSA-N 0 0 387.258 5.109 50 30 GKEARN O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2ccccc2[N+](=O)[O-])c1 ZINC000000670304 527343320 /nfs/dbraw/zinc/34/33/20/527343320.db2.gz ZCOQQWDQDOFGFZ-LPYMAVHISA-N 0 0 379.803 5.251 50 30 GKEARN C=CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccc(Cl)cc1 ZINC000007784831 527344324 /nfs/dbraw/zinc/34/43/24/527344324.db2.gz HTFPKNMOBSIWMS-UHFFFAOYSA-N 0 0 382.876 5.218 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000018046254 527345539 /nfs/dbraw/zinc/34/55/39/527345539.db2.gz FEDSOFNUAPJYJU-PGNNWUFWSA-N 0 0 398.260 5.335 50 30 GKEARN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000032691006 527346090 /nfs/dbraw/zinc/34/60/90/527346090.db2.gz WKGCFYFCVZCGJF-JLPGSUDCSA-N 0 0 395.422 5.165 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC2CCCC[C@H]2C2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000036522127 527359561 /nfs/dbraw/zinc/35/95/61/527359561.db2.gz SYOPKFDQKDNDNO-SPGGGKMGSA-N 0 0 388.468 5.822 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000004670416 527359661 /nfs/dbraw/zinc/35/96/61/527359661.db2.gz JECXFUDIVQYLID-LPYMAVHISA-N 0 0 381.819 5.273 50 30 GKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccccc3C(F)(F)F)n2)c1 ZINC000005010216 527383711 /nfs/dbraw/zinc/38/37/11/527383711.db2.gz PHEWEASKYLLRDW-NKVSQWTQSA-N 0 0 392.362 5.183 50 30 GKEARN O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccc(Br)cc1 ZINC000085375604 527449005 /nfs/dbraw/zinc/44/90/05/527449005.db2.gz HTOPEUNXIWLMFQ-UHFFFAOYSA-N 0 0 394.272 5.170 50 30 GKEARN C(=N/N(c1nc(-c2ccccc2)cs1)c1ccccc1)\c1ccc2c(c1)OCO2 ZINC000025560175 527473257 /nfs/dbraw/zinc/47/32/57/527473257.db2.gz GIDRHANZOVIRKA-ZVHZXABRSA-N 0 0 399.475 5.711 50 30 GKEARN Cc1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/c1ccccc1 ZINC000006996088 527551186 /nfs/dbraw/zinc/55/11/86/527551186.db2.gz ZRYRDFYYMMYQII-KOEQRZSOSA-N 0 0 383.520 6.391 50 30 GKEARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc2ccccc2c1 ZINC000082055651 527587678 /nfs/dbraw/zinc/58/76/78/527587678.db2.gz HCNFGBRMJVYABV-FQEVSTJZSA-N 0 0 380.513 5.171 50 30 GKEARN O=C(/C(=C\c1ccc2c(c1)OCCO2)c1nc2ccccc2s1)c1ccccc1 ZINC000096767024 527591186 /nfs/dbraw/zinc/59/11/86/527591186.db2.gz WNLOGQNAMVPZJH-NBVRZTHBSA-N 0 0 399.471 5.491 50 30 GKEARN O=C(/C(=C\OCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000006829412 527591576 /nfs/dbraw/zinc/59/15/76/527591576.db2.gz DUZBZQOGDHTSLK-SILNSSARSA-N 0 0 397.301 6.520 50 30 GKEARN O=C(/C=C(/C(=O)c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004371429 527592423 /nfs/dbraw/zinc/59/24/23/527592423.db2.gz TVHIRCREDUOOTK-LHLOQNFPSA-N 0 0 388.466 6.503 50 30 GKEARN O=C(C=CNc1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC000100392507 527596401 /nfs/dbraw/zinc/59/64/01/527596401.db2.gz DGYAELYGPDVABV-AATRIKPKSA-N 0 0 377.090 5.626 50 30 GKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000005331346 527598690 /nfs/dbraw/zinc/59/86/90/527598690.db2.gz MHXWFNYFANYWOP-MDZDMXLPSA-N 0 0 386.167 5.156 50 30 GKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000100409227 527598762 /nfs/dbraw/zinc/59/87/62/527598762.db2.gz MVFZXJBOCMIMKP-AATRIKPKSA-N 0 0 382.190 5.762 50 30 GKEARN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC000002702064 527608299 /nfs/dbraw/zinc/60/82/99/527608299.db2.gz WTRSNEROJQVXIL-ULEDHRJNSA-N 0 0 379.818 5.849 50 30 GKEARN O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000005692988 527618557 /nfs/dbraw/zinc/61/85/57/527618557.db2.gz QDSJNTQFCZNVDM-OVCLIPMQSA-N 0 0 385.463 5.212 50 30 GKEARN O=C(/C=C/c1ccccc1OC(=O)c1cccc(F)c1)c1cc2ccccc2o1 ZINC000013987646 527635080 /nfs/dbraw/zinc/63/50/80/527635080.db2.gz BQRQCGRSMWJIPH-OUKQBFOZSA-N 0 0 386.378 5.687 50 30 GKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000004807043 527646645 /nfs/dbraw/zinc/64/66/45/527646645.db2.gz UEBBUCAEVMKIMA-DTQAZKPQSA-N 0 0 384.866 6.089 50 30 GKEARN FC(F)(F)c1cccc(OCCO/N=C/c2sc3ccccc3c2Cl)c1 ZINC000003104922 527686522 /nfs/dbraw/zinc/68/65/22/527686522.db2.gz PXVAQTAGFNZCEB-FOKLQQMPSA-N 0 0 399.821 6.003 50 30 GKEARN Cc1nn(C)cc1/C=N/N=C1/CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000121987403 527689086 /nfs/dbraw/zinc/68/90/86/527689086.db2.gz XKGJSFZJELCKIZ-ZRCOSHFTSA-N 0 0 394.607 5.936 50 30 GKEARN CC1=C([C@@H](c2ccc(F)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)CC(C)(C)C1 ZINC000221679944 528092432 /nfs/dbraw/zinc/09/24/32/528092432.db2.gz WSTCOHWFQJSXFV-OAQYLSRUSA-N 0 0 384.491 5.816 50 30 GKEARN CCCCCC#CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000013691353 528100352 /nfs/dbraw/zinc/10/03/52/528100352.db2.gz VJGDSKFJZDMIPO-UHFFFAOYSA-N 0 0 387.527 5.072 50 30 GKEARN CCCCCCCCCCSCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000098023128 528126865 /nfs/dbraw/zinc/12/68/65/528126865.db2.gz DTZVEPPIORKVEV-UHFFFAOYSA-N 0 0 382.526 5.416 50 30 GKEARN CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1 ZINC000097940385 528134179 /nfs/dbraw/zinc/13/41/79/528134179.db2.gz VZBVEVYNWWHDLX-FQEVSTJZSA-N 0 0 383.532 6.059 50 30 GKEARN CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)cc1 ZINC000097940384 528134369 /nfs/dbraw/zinc/13/43/69/528134369.db2.gz VZBVEVYNWWHDLX-HXUWFJFHSA-N 0 0 383.532 6.059 50 30 GKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000097939940 528134528 /nfs/dbraw/zinc/13/45/28/528134528.db2.gz PRKDLVUJZNNHHT-QGZVFWFLSA-N 0 0 385.479 5.502 50 30 GKEARN CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)cc1 ZINC000097940380 528134765 /nfs/dbraw/zinc/13/47/65/528134765.db2.gz HSNQGTZUTWFQBG-LJQANCHMSA-N 0 0 383.532 6.004 50 30 GKEARN CC1=S=C2C=CC(=NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C=C2N1C ZINC000409415891 528153357 /nfs/dbraw/zinc/15/33/57/528153357.db2.gz IOGSAMHAEBFDOF-UHFFFAOYSA-N 0 0 394.584 5.317 50 30 GKEARN CC(C)Cc1ccc(-c2csc(C(C#N)=NNc3cccc(Cl)c3)n2)cc1 ZINC000006306942 528643144 /nfs/dbraw/zinc/64/31/44/528643144.db2.gz NORCAHKTUPRPEN-XHPQRKPJSA-N 0 0 394.931 6.002 50 30 GKEARN CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000328592491 529238328 /nfs/dbraw/zinc/23/83/28/529238328.db2.gz YHYOELRIXPSKTD-JOCHJYFZSA-N 0 0 387.479 5.297 50 30 GKEARN CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC ZINC000008437697 560209142 /nfs/dbraw/zinc/20/91/42/560209142.db2.gz MQIUGAXCHLFZKX-UHFFFAOYSA-N 0 0 390.564 6.721 50 30 biogenic,in-vitro GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc(Cl)c1 ZINC000019720922 570211266 /nfs/dbraw/zinc/21/12/66/570211266.db2.gz ZUTVWOHPBYHFNM-TZIWHRDSSA-N 0 0 389.882 5.382 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc(Cl)c1 ZINC000019720924 570211520 /nfs/dbraw/zinc/21/15/20/570211520.db2.gz ZUTVWOHPBYHFNM-PZJWPPBQSA-N 0 0 389.882 5.382 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc(Cl)c1 ZINC000019720925 570211575 /nfs/dbraw/zinc/21/15/75/570211575.db2.gz ZUTVWOHPBYHFNM-FPOVZHCZSA-N 0 0 389.882 5.382 50 30 GKEARN CC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000000680932 570216675 /nfs/dbraw/zinc/21/66/75/570216675.db2.gz CYUIGZQXTLLILM-ZVHZXABRSA-N 0 0 378.859 5.628 50 30 GKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 ZINC000001441998 570217707 /nfs/dbraw/zinc/21/77/07/570217707.db2.gz APOZECGWNFAEBS-SANMLTNESA-N 0 0 382.507 5.969 50 30 GKEARN N#Cc1c(/N=C/c2c(O)ccc3ccccc32)oc(-c2ccoc2)c1-c1ccco1 ZINC000000712464 570219622 /nfs/dbraw/zinc/21/96/22/570219622.db2.gz MYVMFZZNOVAZOS-LGJNPRDNSA-N 0 0 394.386 6.281 50 30 GKEARN O=C(c1cccc(Br)c1)C1=C(N2CCCC2)CCc2ccccc21 ZINC000000721426 570220431 /nfs/dbraw/zinc/22/04/31/570220431.db2.gz IIRJQWDJKLERDY-UHFFFAOYSA-N 0 0 382.301 5.085 50 30 GKEARN CSc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 ZINC000019833963 570223730 /nfs/dbraw/zinc/22/37/30/570223730.db2.gz MZWLWOCKZOXMAV-KLCVKJMQSA-N 0 0 381.566 5.112 50 30 GKEARN COc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000820282 570225173 /nfs/dbraw/zinc/22/51/73/570225173.db2.gz DPKWKMOIEYMTCS-HSZRJFAPSA-N 0 0 383.491 6.049 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCOCC2)c1 ZINC000048303610 570231870 /nfs/dbraw/zinc/23/18/70/570231870.db2.gz ARZLUVABCQAYQS-CSKARUKUSA-N 0 0 393.870 5.333 50 30 GKEARN C=CCC1(CC=C)CCCN1C(=O)c1csc2nc(-c3ccccc3F)cn12 ZINC000011819833 570234290 /nfs/dbraw/zinc/23/42/90/570234290.db2.gz WJCGUKZDSOXZSY-UHFFFAOYSA-N 0 0 395.503 5.329 50 30 GKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc1 ZINC000011614467 570234862 /nfs/dbraw/zinc/23/48/62/570234862.db2.gz QYJBCBLWOADGHK-YTDNHQLISA-N 0 0 399.421 6.303 50 30 GKEARN CCc1nc(SCC(=O)c2ccc(C(C)C)cc2)c(C#N)c2c1CCCC2 ZINC000001471250 570236513 /nfs/dbraw/zinc/23/65/13/570236513.db2.gz WVLHCDLZQIVCTA-UHFFFAOYSA-N 0 0 378.541 5.493 50 30 GKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1ccccc1C ZINC000012654269 570238198 /nfs/dbraw/zinc/23/81/98/570238198.db2.gz ZWYKMWCQBSTYTI-UHFFFAOYSA-N 0 0 398.919 5.083 50 30 GKEARN C=C(C)COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c(O)c1 ZINC000013122738 570240729 /nfs/dbraw/zinc/24/07/29/570240729.db2.gz TZLFTCPTHNRJAC-UHFFFAOYSA-N 0 0 397.272 5.234 50 30 GKEARN C=C1CC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccc(N(CCC#N)CCC#N)cc2)C1 ZINC000020120578 570241698 /nfs/dbraw/zinc/24/16/98/570241698.db2.gz ZQRVFALNROUUGX-JOCHJYFZSA-N 0 0 387.527 5.440 50 30 GKEARN Cc1cc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)ccc1Br ZINC000001095469 570242024 /nfs/dbraw/zinc/24/20/24/570242024.db2.gz DHZBAEZZWSNXGN-HYARGMPZSA-N 0 0 382.305 5.365 50 30 GKEARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000014184627 570243762 /nfs/dbraw/zinc/24/37/62/570243762.db2.gz GVGCSDIXKQSXBY-UHFFFAOYSA-N 0 0 377.846 5.151 50 30 GKEARN C=C(Cl)COc1nc2cc(F)ccc2cc1CN[C@H](C)c1csc(C)n1 ZINC000015073040 570246790 /nfs/dbraw/zinc/24/67/90/570246790.db2.gz HXFIHAPBNYNTGX-GFCCVEGCSA-N 0 0 391.899 5.121 50 30 GKEARN CCOC(=O)/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccccc1 ZINC000005247263 570251472 /nfs/dbraw/zinc/25/14/72/570251472.db2.gz WGKJIKKLDHIBMM-JXAWBTAJSA-N 0 0 380.827 5.429 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCC3 ZINC000001180367 570251863 /nfs/dbraw/zinc/25/18/63/570251863.db2.gz GOQZCBLHIWCTDC-UHFFFAOYSA-N 0 0 382.554 5.303 50 30 GKEARN C=CCn1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002183002 570252824 /nfs/dbraw/zinc/25/28/24/570252824.db2.gz CMTMFCQMZRULOU-UHFFFAOYSA-N 0 0 392.568 5.523 50 30 biogenic GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(C)c1 ZINC000002444238 570253178 /nfs/dbraw/zinc/25/31/78/570253178.db2.gz HLBXQVRKLWPDCW-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000002453657 570253407 /nfs/dbraw/zinc/25/34/07/570253407.db2.gz PPOAFOJNKFMAIS-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN Cc1cccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000001431395 570263094 /nfs/dbraw/zinc/26/30/94/570263094.db2.gz GLOXFZMAFBALMA-QHCPKHFHSA-N 0 0 379.463 5.517 50 30 GKEARN N#CC(Cl)(Cl)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000019227780 570263376 /nfs/dbraw/zinc/26/33/76/570263376.db2.gz VWNFQMMJAZMEDY-QFIPXVFZSA-N 0 0 395.333 6.128 50 30 GKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000001458974 570263867 /nfs/dbraw/zinc/26/38/67/570263867.db2.gz JFOBHJSTTYLBTD-GYCJOSAFSA-N 0 0 386.451 5.268 50 30 GKEARN CC(C)(C)c1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000001743251 570267779 /nfs/dbraw/zinc/26/77/79/570267779.db2.gz KTYWHFGUJXJFDL-NLRVBDNBSA-N 0 0 393.575 5.143 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1Cl ZINC000001836677 570269431 /nfs/dbraw/zinc/26/94/31/570269431.db2.gz XBKLLZNRGAWATO-DEOSSOPVSA-N 0 0 387.910 6.803 50 30 GKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1C(F)(F)F)CCCC2 ZINC000100233198 570269598 /nfs/dbraw/zinc/26/95/98/570269598.db2.gz KRGUKYWPAXUBFY-WJDWOHSUSA-N 0 0 376.403 5.500 50 30 GKEARN ClC1=C(/C=N/N=C/C2=C(Cl)c3ccccc3CC2)CCc2ccccc21 ZINC000043761455 570271753 /nfs/dbraw/zinc/27/17/53/570271753.db2.gz LJAAQPTYEOZBFW-BKHCZYBLSA-N 0 0 381.306 6.236 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Cl)cc1 ZINC000100414040 570271805 /nfs/dbraw/zinc/27/18/05/570271805.db2.gz NNGLOGDPJVKHKT-TZIWHRDSSA-N 0 0 389.882 5.382 50 30 GKEARN N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071735482 570272301 /nfs/dbraw/zinc/27/23/01/570272301.db2.gz MWOHJXIRJCVSQH-QGZVFWFLSA-N 0 0 386.417 5.062 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)cc1 ZINC000002071396 570273438 /nfs/dbraw/zinc/27/34/38/570273438.db2.gz LOGDSDSXNCMBCJ-BRJLIKDPSA-N 0 0 390.870 6.530 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000002677958 570274548 /nfs/dbraw/zinc/27/45/48/570274548.db2.gz MESAXWLEEXTUOR-NOMGLIDZSA-N 0 0 381.522 5.214 50 30 GKEARN CC(C)c1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 ZINC000005764707 570276313 /nfs/dbraw/zinc/27/63/13/570276313.db2.gz RFRPBYFPOSUYJH-LICLKQGHSA-N 0 0 390.430 5.720 50 30 GKEARN Cc1c(C(=O)/C=C\c2ccc(COc3cccc(Cl)c3Cl)o2)cnn1C ZINC000006527535 570276866 /nfs/dbraw/zinc/27/68/66/570276866.db2.gz LVOAXCKTLCEKGV-HJWRWDBZSA-N 0 0 391.254 5.103 50 30 GKEARN CCc1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005809650 570276873 /nfs/dbraw/zinc/27/68/73/570276873.db2.gz GNXWTWCQPJJQKS-HNNXBMFYSA-N 0 0 379.312 5.018 50 30 GKEARN CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005809672 570276878 /nfs/dbraw/zinc/27/68/78/570276878.db2.gz GNXWTWCQPJJQKS-OAHLLOKOSA-N 0 0 379.312 5.018 50 30 GKEARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000002176595 570277339 /nfs/dbraw/zinc/27/73/39/570277339.db2.gz FDAMOLRHQGZQGQ-UHFFFAOYSA-N 0 0 389.804 6.779 50 30 GKEARN CC1=C[C@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@H]1COc1ccc2c(c1)CC(=O)C=C2 ZINC000005427247 570279144 /nfs/dbraw/zinc/27/91/44/570279144.db2.gz FJQNHXDZOCYVOZ-QXWFJRNPSA-N 0 0 378.512 5.182 50 30 GKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000002231738 570279703 /nfs/dbraw/zinc/27/97/03/570279703.db2.gz KULJHHVXYYYLFI-HCWGUIKXSA-N 0 0 396.947 5.645 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N\[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000101094686 570281138 /nfs/dbraw/zinc/28/11/38/570281138.db2.gz FEDSOFNUAPJYJU-UTYYKHSJSA-N 0 0 398.260 5.335 50 30 GKEARN CCCCCCCCCCCCC/C=C/[C@H](O)[C@H]1COC(c2ccccc2)=N1 ZINC000101145159 570281145 /nfs/dbraw/zinc/28/11/45/570281145.db2.gz AUMPNWAVBNMNDW-AILQNVPZSA-N 0 0 385.592 6.450 50 30 GKEARN C=CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 ZINC000011666693 570288131 /nfs/dbraw/zinc/28/81/31/570288131.db2.gz STSULGHUDUKPLT-OWBHPGMISA-N 0 0 392.574 6.508 50 30 GKEARN CN(Cc1cccc(F)c1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000012901905 570288777 /nfs/dbraw/zinc/28/87/77/570288777.db2.gz XENVTBAXLWHVED-UHFFFAOYSA-N 0 0 376.456 5.121 50 30 GKEARN C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000004822471 570289109 /nfs/dbraw/zinc/28/91/09/570289109.db2.gz QHBZJGSYPXLORC-AWEZNQCLSA-N 0 0 388.602 5.463 50 30 GKEARN COc1ccc(C2=C(Nc3ccc(Cl)cc3)c3ccccc3C2=O)cc1OC ZINC000002543514 570290303 /nfs/dbraw/zinc/29/03/03/570290303.db2.gz XOUMSPDUSLBQSK-UHFFFAOYSA-N 0 0 391.854 5.534 50 30 GKEARN CC1C/C(=C\c2ccc3nccnc3c2)C(=O)/C(=C/c2ccc3nccnc3c2)C1 ZINC000004826008 570294298 /nfs/dbraw/zinc/29/42/98/570294298.db2.gz HVJQEARVSZWELD-KVOOEGMKSA-N 0 0 392.462 5.039 50 30 GKEARN COc1ccccc1/C=C1\CC(C(C)(C)C)C/C(=C/c2ccccc2OC)C1=O ZINC000004826435 570294676 /nfs/dbraw/zinc/29/46/76/570294676.db2.gz OKTVPYPAHDZGIJ-TVGQLCNQSA-N 0 0 390.523 6.196 50 30 GKEARN C=CCCC(=O)Nc1cc(-c2onc3c2CCc2cc(OC)ccc2-3)ccc1C ZINC000023327370 570294694 /nfs/dbraw/zinc/29/46/94/570294694.db2.gz IAVZZTIMCWKRNT-UHFFFAOYSA-N 0 0 388.467 5.329 50 30 GKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc21 ZINC000002757986 570298814 /nfs/dbraw/zinc/29/88/14/570298814.db2.gz XMLOYNXBDRUVBX-HSZRJFAPSA-N 0 0 389.495 5.151 50 30 GKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000006192632 570299604 /nfs/dbraw/zinc/29/96/04/570299604.db2.gz WYRJUDYAOHFTOL-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@@H](c1ccc(-c3ccccc3)cc1)CC2=O ZINC000022034796 570302682 /nfs/dbraw/zinc/30/26/82/570302682.db2.gz MDBBHSRAETXDHV-HXUWFJFHSA-N 0 0 394.474 5.612 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000000718191 570303422 /nfs/dbraw/zinc/30/34/22/570303422.db2.gz UWXHPTUWIKXTFX-PEBXRYMYSA-N 0 0 392.549 6.098 50 30 GKEARN Cc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(C)c4)cc3)cc2)c1 ZINC000002854131 570309572 /nfs/dbraw/zinc/30/95/72/570309572.db2.gz AQQBLBMYFVTIDU-CZYCKNNWSA-N 0 0 388.514 7.472 50 30 GKEARN COc1ccc2cc(C(=O)/C=C/c3ccc(Br)cc3F)ccc2c1 ZINC000006602896 570322398 /nfs/dbraw/zinc/32/23/98/570322398.db2.gz OVUXDQCYCOFTAL-RMKNXTFCSA-N 0 0 385.232 5.646 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1Cl)Nc1ccc3ccccc3c12 ZINC000003017149 570326102 /nfs/dbraw/zinc/32/61/02/570326102.db2.gz XHILUWWOPIQFQX-XMMPIXPASA-N 0 0 387.910 6.803 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Cl)Nc1ccc3ccccc3c12 ZINC000003017148 570326142 /nfs/dbraw/zinc/32/61/42/570326142.db2.gz XHILUWWOPIQFQX-DEOSSOPVSA-N 0 0 387.910 6.803 50 30 GKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000003128785 570329726 /nfs/dbraw/zinc/32/97/26/570329726.db2.gz QVQCNVTVIGIROT-UHFFFAOYSA-N 0 0 385.666 5.769 50 30 GKEARN O=C(Nc1ccc(C(F)(F)F)cc1)O/N=C/c1c(Cl)cccc1Cl ZINC000003135305 570330328 /nfs/dbraw/zinc/33/03/28/570330328.db2.gz CWIZCXMBOWMBSB-ODCIPOBUSA-N 0 0 377.149 5.595 50 30 GKEARN Cc1nc(/C=C/N(C)C)c(C#N)c(-c2sc3ccccc3c2Cl)c1C#N ZINC000050399574 570335005 /nfs/dbraw/zinc/33/50/05/570335005.db2.gz DFPIJHKMNOXXQG-CMDGGOBGSA-N 0 0 378.888 5.201 50 30 GKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(CCCC)cc1 ZINC000006241034 570347858 /nfs/dbraw/zinc/34/78/58/570347858.db2.gz QMVJIJRBTGFIRT-UHFFFAOYSA-N 0 0 394.522 6.482 50 30 GKEARN O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 ZINC000004853536 570348453 /nfs/dbraw/zinc/34/84/53/570348453.db2.gz HHHJPZWRCWQHBY-CSKARUKUSA-N 0 0 387.660 6.259 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2C[C@H](C)C[C@@H](C)C2)c1CCC(C)C ZINC000004869587 570351530 /nfs/dbraw/zinc/35/15/30/570351530.db2.gz PZWQIBGAZCNSMO-QZTJIDSGSA-N 0 0 388.559 5.739 50 30 GKEARN COc1cc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)ccc1O ZINC000003899121 570353565 /nfs/dbraw/zinc/35/35/65/570353565.db2.gz XJVOHEJWLQKZBK-CVKSISIWSA-N 0 0 375.512 5.928 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccccc1Cl ZINC000004044536 570355555 /nfs/dbraw/zinc/35/55/55/570355555.db2.gz QLPRWVNIPWZEEB-HSZRJFAPSA-N 0 0 387.910 6.694 50 30 GKEARN CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004898490 570358306 /nfs/dbraw/zinc/35/83/06/570358306.db2.gz PWVKRDRWQVOXOX-ZNVYLOEZSA-N 0 0 391.496 5.067 50 30 GKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004898710 570358725 /nfs/dbraw/zinc/35/87/25/570358725.db2.gz HIZMJNVAYKEKLE-IQZBWDKASA-N 0 0 379.529 5.019 50 30 GKEARN CCCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004898709 570358733 /nfs/dbraw/zinc/35/87/33/570358733.db2.gz HIZMJNVAYKEKLE-ANTKNQIZSA-N 0 0 379.529 5.019 50 30 GKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000004902161 570360356 /nfs/dbraw/zinc/36/03/56/570360356.db2.gz COIZJVURERMPLY-OVCLIPMQSA-N 0 0 379.253 6.138 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004180672 570361566 /nfs/dbraw/zinc/36/15/66/570361566.db2.gz RKVUDPYXSDNHIF-OAQYLSRUSA-N 0 0 389.524 5.443 50 30 GKEARN O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1cccs1 ZINC000004184700 570362036 /nfs/dbraw/zinc/36/20/36/570362036.db2.gz KKELUGZUYULYMJ-QPJJXVBHSA-N 0 0 382.790 6.576 50 30 GKEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000004905826 570362488 /nfs/dbraw/zinc/36/24/88/570362488.db2.gz QLMQOPPGJGXSFZ-UHFFFAOYSA-N 0 0 383.904 5.120 50 30 GKEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1cccc2ccccc12 ZINC000004914702 570364178 /nfs/dbraw/zinc/36/41/78/570364178.db2.gz MPHAHWLFVVSQTN-SVJCCZHLSA-N 0 0 387.508 5.002 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004919111 570366064 /nfs/dbraw/zinc/36/60/64/570366064.db2.gz PFHATXYHMZUSRK-VWNXMTODSA-N 0 0 392.495 5.138 50 30 GKEARN C=C[C@H]1Oc2cc([N+](=O)[O-])ccc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000004321289 570367592 /nfs/dbraw/zinc/36/75/92/570367592.db2.gz QEXCNGGTLIAAEC-LJQANCHMSA-N 0 0 396.487 5.220 50 30 GKEARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 ZINC000118928056 570368740 /nfs/dbraw/zinc/36/87/40/570368740.db2.gz BLUXDDQLXIXNPG-SOXGLOCWSA-N 0 0 380.576 5.898 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccc(F)cc3)C12 ZINC000004386436 570372819 /nfs/dbraw/zinc/37/28/19/570372819.db2.gz XCMUYWXEEBJOJC-CMJOXMDJSA-N 0 0 399.425 5.184 50 30 GKEARN Clc1cc(Cl)c(NN=Cc2ccc(-c3cccs3)s2)c(Cl)c1 ZINC000004389811 570373032 /nfs/dbraw/zinc/37/30/32/570373032.db2.gz PZOJTCMOKSJICM-UFWORHAWSA-N 0 0 387.744 6.883 50 30 GKEARN Clc1ccc(CN=Nc2ncc(-c3ccc4c(c3)OCCCO4)s2)cc1 ZINC000004394876 570373651 /nfs/dbraw/zinc/37/36/51/570373651.db2.gz RWVQUZZQZCMHJZ-SSDVNMTOSA-N 0 0 385.876 5.071 50 30 GKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000008337851 570375418 /nfs/dbraw/zinc/37/54/18/570375418.db2.gz MQBXCHZASLNGPF-ZHACJKMWSA-N 0 0 384.266 5.337 50 30 GKEARN Clc1cnc(C(Cl)(Cl)Cl)c(Cl)c1N=NCc1ccccc1 ZINC000004530290 570382031 /nfs/dbraw/zinc/38/20/31/570382031.db2.gz IHCGLNXULTZMEC-CGOBSMCZSA-N 0 0 383.493 5.661 50 30 GKEARN Cc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000004547593 570383345 /nfs/dbraw/zinc/38/33/45/570383345.db2.gz UDIPMSFRHNKZCS-CTVDDJEBSA-N 0 0 393.530 5.855 50 30 GKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)c(Cl)c1 ZINC000004602722 570386838 /nfs/dbraw/zinc/38/68/38/570386838.db2.gz CIBPGCYQAWWYAH-NTUHNPAUSA-N 0 0 399.686 5.244 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000004608392 570387289 /nfs/dbraw/zinc/38/72/89/570387289.db2.gz OIRWWQGCTMWMLA-QFIPXVFZSA-N 0 0 380.875 5.257 50 30 GKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1 ZINC000004611564 570387357 /nfs/dbraw/zinc/38/73/57/570387357.db2.gz DWQBJFKWGYIHLM-NTCAYCPXSA-N 0 0 383.878 6.760 50 30 GKEARN CC[C@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004614301 570387651 /nfs/dbraw/zinc/38/76/51/570387651.db2.gz RDXMIVZZCZAIAY-UPCLLVRISA-N 0 0 390.527 6.086 50 30 GKEARN C=CCOc1ccccc1/C=C1\CCC/C(=C\c2ccccc2OCC=C)C1=O ZINC000004614466 570387660 /nfs/dbraw/zinc/38/76/60/570387660.db2.gz VCNSLUQFOIMPTI-DPIBHUQISA-N 0 0 386.491 6.036 50 30 GKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCCc1cccc2ccccc21 ZINC000526052403 570388213 /nfs/dbraw/zinc/38/82/13/570388213.db2.gz IWAHXYDPPGHIKJ-UHFFFAOYSA-N 0 0 389.458 6.174 50 30 GKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc21 ZINC000004624835 570388635 /nfs/dbraw/zinc/38/86/35/570388635.db2.gz HASWDZYUGLTPMB-QFIPXVFZSA-N 0 0 389.495 5.007 50 30 GKEARN CC[C@@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004629395 570388768 /nfs/dbraw/zinc/38/87/68/570388768.db2.gz BAGZFKRJSDUEGI-VOIUYBSRSA-N 0 0 390.527 6.086 50 30 GKEARN CCOc1cc(C=NNc2ccc(Br)cc2)ccc1OC(C)C ZINC000004655952 570389712 /nfs/dbraw/zinc/38/97/12/570389712.db2.gz UCXJMNALSDONQW-UDWIEESQSA-N 0 0 377.282 5.081 50 30 GKEARN Cc1ccc(C)c(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)NC2=O)c1 ZINC000004660208 570390421 /nfs/dbraw/zinc/39/04/21/570390421.db2.gz JUIBLGNWGVVVRQ-YBEGLDIGSA-N 0 0 376.403 5.214 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1O ZINC000002858862 570390515 /nfs/dbraw/zinc/39/05/15/570390515.db2.gz SBKYUXUWQQTSRP-UHFFFAOYSA-N 0 0 392.311 5.436 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000002840112 570390525 /nfs/dbraw/zinc/39/05/25/570390525.db2.gz JFJOWFVNQIBXBN-PDGQHHTCSA-N 0 0 385.872 5.141 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1O ZINC000002851449 570390656 /nfs/dbraw/zinc/39/06/56/570390656.db2.gz FPQNFYFCACHUCY-UHFFFAOYSA-N 0 0 392.311 5.436 50 30 GKEARN N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Cl)cc1 ZINC000004682075 570392982 /nfs/dbraw/zinc/39/29/82/570392982.db2.gz KOTLXHFSNBXSHS-UHFFFAOYSA-N 0 0 395.871 5.400 50 30 GKEARN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000004739389 570400726 /nfs/dbraw/zinc/40/07/26/570400726.db2.gz ZXXDSLINQXJTLY-OEAKJJBVSA-N 0 0 376.460 5.572 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc4ccccc4c3)C12 ZINC000004748854 570402447 /nfs/dbraw/zinc/40/24/47/570402447.db2.gz NAMAJGAIOPGDSW-AREMUKBSSA-N 0 0 391.495 6.706 50 30 GKEARN COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794632 570405998 /nfs/dbraw/zinc/40/59/98/570405998.db2.gz JGGDLNGATWWHBR-QFIPXVFZSA-N 0 0 377.484 5.213 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000004794809 570406036 /nfs/dbraw/zinc/40/60/36/570406036.db2.gz VLZVCJBBDJVREH-HXUWFJFHSA-N 0 0 387.310 6.215 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1Br ZINC000004810540 570407338 /nfs/dbraw/zinc/40/73/38/570407338.db2.gz VRLXWTNMPNMVDQ-HXUWFJFHSA-N 0 0 397.316 5.671 50 30 GKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004811591 570407675 /nfs/dbraw/zinc/40/76/75/570407675.db2.gz UYWHGVKDYOKTMJ-CSKARUKUSA-N 0 0 395.640 5.209 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000004817154 570408244 /nfs/dbraw/zinc/40/82/44/570408244.db2.gz KGIANOGIIUBHBP-FQEVSTJZSA-N 0 0 386.417 5.927 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3noc4c3CCCCC4)sc2C1 ZINC000004881302 570415157 /nfs/dbraw/zinc/41/51/57/570415157.db2.gz LFJDGOOGHKSHIG-CYBMUJFWSA-N 0 0 397.544 5.280 50 30 GKEARN Cc1nc(-c2ccccc2)nc(N=NC(C)c2ccc(Cl)c(Cl)c2)c1C ZINC000004947169 570419307 /nfs/dbraw/zinc/41/93/07/570419307.db2.gz FSZLNSXGGRNPPC-AFUMVMLFSA-N 0 0 385.298 5.903 50 30 GKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)c1 ZINC000004973603 570420665 /nfs/dbraw/zinc/42/06/65/570420665.db2.gz BOFLPTBJGFKEOZ-FYSMJZIKSA-N 0 0 386.451 5.268 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973572 570420723 /nfs/dbraw/zinc/42/07/23/570420723.db2.gz OWVQFWZYKUIPPK-BXKMTCNYSA-N 0 0 385.442 5.200 50 30 GKEARN CCCCCCCCOc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000053306008 570422851 /nfs/dbraw/zinc/42/28/51/570422851.db2.gz IUQNJZQHWQYJOM-UHFFFAOYSA-N 0 0 399.560 5.830 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c12 ZINC000001782468 570423829 /nfs/dbraw/zinc/42/38/29/570423829.db2.gz RYFXEQNAOKMKIL-QHCPKHFHSA-N 0 0 394.301 6.820 50 30 GKEARN COCc1cc(C)nc(N=NCc2c3ccccc3cc3ccccc32)c1C#N ZINC000005015458 570423973 /nfs/dbraw/zinc/42/39/73/570423973.db2.gz ZAWVCGMOIJGQQV-VULFUBBASA-N 0 0 380.451 5.161 50 30 GKEARN CCc1c(C)sc(/N=C/c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 ZINC000006450370 570424431 /nfs/dbraw/zinc/42/44/31/570424431.db2.gz MVZGQXGUDKICSZ-YDZHTSKRSA-N 0 0 388.964 6.085 50 30 GKEARN Cc1ccc(N2CCN(/N=C\c3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000005052951 570426417 /nfs/dbraw/zinc/42/64/17/570426417.db2.gz VRSTZIDDSZZVAL-DIBXZPPDSA-N 0 0 379.507 5.458 50 30 GKEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Br)c1 ZINC000005073033 570428150 /nfs/dbraw/zinc/42/81/50/570428150.db2.gz XHCZBACAIYODFH-SDNWHVSQSA-N 0 0 393.280 5.924 50 30 GKEARN CC1(C)Cc2[nH]c(=S)c(C#N)c(-c3ccc(Br)cc3)c2C(=O)C1 ZINC000005155518 570429724 /nfs/dbraw/zinc/42/97/24/570429724.db2.gz WGNSUWGQZFXHLG-UHFFFAOYSA-N 0 0 387.302 5.200 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 ZINC000005137179 570430416 /nfs/dbraw/zinc/43/04/16/570430416.db2.gz GBAAEFXMKIWZKF-GKVSMKOHSA-N 0 0 397.478 5.070 50 30 GKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000005175569 570430715 /nfs/dbraw/zinc/43/07/15/570430715.db2.gz XPPKOIDBCKBQPJ-OAQYLSRUSA-N 0 0 394.540 5.547 50 30 GKEARN CCC/C(=N\OCC)C1=C(N2CCCC2)C[C@H](C[C@H](C)SCC)CC1=O ZINC000005243652 570432339 /nfs/dbraw/zinc/43/23/39/570432339.db2.gz WKXDDPNDHKTISM-DELRXGLRSA-N 0 0 380.598 5.040 50 30 GKEARN CCC/C(=N\OCC)C1=C(N2CCCC2)C[C@@H](C[C@H](C)SCC)CC1=O ZINC000005243676 570432437 /nfs/dbraw/zinc/43/24/37/570432437.db2.gz WKXDDPNDHKTISM-VDWHKPSJSA-N 0 0 380.598 5.040 50 30 GKEARN O=C1C=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](c2ccccc2)C1 ZINC000005279812 570433354 /nfs/dbraw/zinc/43/33/54/570433354.db2.gz RNFZMHBWUSAAMB-ZDUSSCGKSA-N 0 0 399.334 6.167 50 30 GKEARN COc1ccc(CCNc2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)cc1 ZINC000005156466 570434416 /nfs/dbraw/zinc/43/44/16/570434416.db2.gz DOXUSAXJZZXYEV-UHFFFAOYSA-N 0 0 375.472 5.174 50 30 GKEARN Cc1ccc2oc(-c3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3O)nc2c1 ZINC000001879448 570438134 /nfs/dbraw/zinc/43/81/34/570438134.db2.gz CAILHUTVOFSWJO-MGTGSMBQSA-N 0 0 398.418 5.653 50 30 GKEARN N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCc1ccccc1 ZINC000001893880 570438813 /nfs/dbraw/zinc/43/88/13/570438813.db2.gz TZFDOXHMDRIYME-UHFFFAOYSA-N 0 0 384.529 6.641 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccs4)c3c2C1 ZINC000005501550 570442920 /nfs/dbraw/zinc/44/29/20/570442920.db2.gz IGBMIDBSXOVOBX-HKNSOBRKSA-N 0 0 384.574 5.740 50 30 GKEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c1 ZINC000005533038 570444785 /nfs/dbraw/zinc/44/47/85/570444785.db2.gz IZVLOUNXVBSKLE-UYRXBGFRSA-N 0 0 393.899 5.331 50 30 GKEARN Clc1ccc(N2CCN(/N=C/c3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000005572507 570446730 /nfs/dbraw/zinc/44/67/30/570446730.db2.gz AXNCNOYVDRYBPE-OVVQPSECSA-N 0 0 399.925 5.803 50 30 GKEARN Clc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c(Cl)c1 ZINC000005567863 570446745 /nfs/dbraw/zinc/44/67/45/570446745.db2.gz VFIOHEPXPGTFJK-GZIVZEMBSA-N 0 0 377.300 5.323 50 30 GKEARN N#CCOc1ccc2c(=O)c(-c3cccc4ccccc43)c(C(F)(F)F)oc2c1 ZINC000001915093 570448443 /nfs/dbraw/zinc/44/84/43/570448443.db2.gz VQQPOKXUYOXDMO-UHFFFAOYSA-N 0 0 395.336 5.534 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)COC4)sc2C1 ZINC000064383404 570449208 /nfs/dbraw/zinc/44/92/08/570449208.db2.gz MSDAFKLPEKXMMV-INIZCTEOSA-N 0 0 380.513 5.053 50 30 GKEARN CC(=CN=Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)Cc1ccc(C(C)C)cc1 ZINC000005633579 570449307 /nfs/dbraw/zinc/44/93/07/570449307.db2.gz XVAWDVPPEDTDGO-UNLJOXNSSA-N 0 0 391.393 6.238 50 30 GKEARN CCCOc1ccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000223208125 570449755 /nfs/dbraw/zinc/44/97/55/570449755.db2.gz IMCFNKCCVWAKCP-ZNLRHDTNSA-N 0 0 394.290 5.497 50 30 GKEARN CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(OC)ccc1O ZINC000001926056 570450190 /nfs/dbraw/zinc/45/01/90/570450190.db2.gz VFSPAHYPGVXKOA-WSDLNYQXSA-N 0 0 381.453 5.057 50 30 GKEARN N#Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001952341 570450827 /nfs/dbraw/zinc/45/08/27/570450827.db2.gz IKQZCHVMMIOODJ-WGOQTCKBSA-N 0 0 393.402 6.144 50 30 GKEARN Cc1ccc(NC(=O)c2ccc(N=NC3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000028615456 570461984 /nfs/dbraw/zinc/46/19/84/570461984.db2.gz KUYJRVDKGSMKAV-VKWHMPGMSA-N 0 0 380.448 5.134 50 30 GKEARN CCCCCCCC(=O)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000002024026 570470612 /nfs/dbraw/zinc/47/06/12/570470612.db2.gz FOVOQFALLXOIIR-UHFFFAOYSA-N 0 0 396.512 5.815 50 30 GKEARN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006540762 570472357 /nfs/dbraw/zinc/47/23/57/570472357.db2.gz ZKXNOZQTPTYWFW-QGZVFWFLSA-N 0 0 386.451 5.030 50 30 GKEARN FC(F)(F)c1cccc(NN=Cc2c[nH]c3ccc(Br)cc23)c1 ZINC000029764138 570479512 /nfs/dbraw/zinc/47/95/12/570479512.db2.gz ITSRDZFHXOKCKO-AFPJDJCSSA-N 0 0 382.183 5.395 50 30 GKEARN COC(=O)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000828710 570485568 /nfs/dbraw/zinc/48/55/68/570485568.db2.gz OVTMPSWIMRNODU-XMMPIXPASA-N 0 0 383.447 5.300 50 30 GKEARN COc1ccc(C2=C(Nc3ccc(C(C)C)cc3)c3ccccc3C2=O)cc1OC ZINC000002504494 570486757 /nfs/dbraw/zinc/48/67/57/570486757.db2.gz LVHZZZXSEGXGEK-UHFFFAOYSA-N 0 0 399.490 6.004 50 30 GKEARN C=CCSc1nnc2c3c(ncn12)[C@H]1C2=C(CCC2)C(CCCC)=N[C@H]1S3 ZINC000006309807 570492369 /nfs/dbraw/zinc/49/23/69/570492369.db2.gz RTFJTRXIXUBGLF-BEFAXECRSA-N 0 0 397.573 5.043 50 30 GKEARN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000005174261 570492779 /nfs/dbraw/zinc/49/27/79/570492779.db2.gz IRNXQQLUJGAGAU-LQKURTRISA-N 0 0 397.905 6.639 50 30 GKEARN CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 ZINC000006820411 570495901 /nfs/dbraw/zinc/49/59/01/570495901.db2.gz KGFOCYOQBRGEIA-RHSMWYFYSA-N 0 0 397.927 5.066 50 30 GKEARN CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000005187089 570498345 /nfs/dbraw/zinc/49/83/45/570498345.db2.gz GYZXFOVWVUPRIU-XFFZJAGNSA-N 0 0 377.267 5.841 50 30 GKEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000030851953 570498484 /nfs/dbraw/zinc/49/84/84/570498484.db2.gz PPYAEABDNRVUBV-VURMDHGXSA-N 0 0 391.254 5.103 50 30 GKEARN Cc1c(C(=O)/C=C\c2ccc(COc3ccc(Cl)c(Cl)c3)o2)cnn1C ZINC000030851968 570498574 /nfs/dbraw/zinc/49/85/74/570498574.db2.gz NDBIOBJZSNPPHT-VURMDHGXSA-N 0 0 391.254 5.103 50 30 GKEARN C=CCn1c(-c2ccccc2)csc1=NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006996063 570499720 /nfs/dbraw/zinc/49/97/20/570499720.db2.gz VLTQKFIFFXAQTK-LVWGJNHUSA-N 0 0 393.556 5.391 50 30 GKEARN CC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1 ZINC000002060194 570500703 /nfs/dbraw/zinc/50/07/03/570500703.db2.gz QKFRQNSVXQXLOV-UHFFFAOYSA-N 0 0 383.495 6.157 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000003085041 570502745 /nfs/dbraw/zinc/50/27/45/570502745.db2.gz ZQWVPMCKXXAMMX-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN O=C1[C@@H](Cc2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002671067 570503486 /nfs/dbraw/zinc/50/34/86/570503486.db2.gz SDXCFJFOGRYORC-ZGKFLROHSA-N 0 0 392.911 5.719 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000006620729 570505985 /nfs/dbraw/zinc/50/59/85/570505985.db2.gz BHLSWCHAQCHCNV-NRFANRHFSA-N 0 0 377.484 5.154 50 30 GKEARN CC(C)(C)c1cc(/C=N\N2CCN(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000031841352 570506821 /nfs/dbraw/zinc/50/68/21/570506821.db2.gz KTYWHFGUJXJFDL-ITYLOYPMSA-N 0 0 393.575 5.143 50 30 GKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3s1)CCCCC2 ZINC000006627808 570510290 /nfs/dbraw/zinc/51/02/90/570510290.db2.gz WCKXEFWNINQRAR-UHFFFAOYSA-N 0 0 399.566 5.229 50 30 GKEARN COc1cc(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)ccc1O ZINC000006641556 570515815 /nfs/dbraw/zinc/51/58/15/570515815.db2.gz QWCBFVSYBFMXDH-WCSRMQSCSA-N 0 0 395.267 5.440 50 30 GKEARN N#Cc1ccccc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000005221446 570516361 /nfs/dbraw/zinc/51/63/61/570516361.db2.gz TVJDASLDNTVEMK-UHFFFAOYSA-N 0 0 394.569 5.600 50 30 GKEARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000005258102 570527866 /nfs/dbraw/zinc/52/78/66/570527866.db2.gz UJCSXYDHXONNJL-UHFFFAOYSA-N 0 0 379.268 5.762 50 30 GKEARN CCCCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000003016502 570529483 /nfs/dbraw/zinc/52/94/83/570529483.db2.gz PXVOJACDEMYEAU-UHFFFAOYSA-N 0 0 396.900 5.255 50 30 GKEARN CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 ZINC000008398006 570531149 /nfs/dbraw/zinc/53/11/49/570531149.db2.gz JBNLUJVDDCTYMT-UHFFFAOYSA-N 0 0 395.631 8.391 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)Nc1nnc(SCC)s1 ZINC000008453321 570531960 /nfs/dbraw/zinc/53/19/60/570531960.db2.gz YQYAQWJDYKMXPW-UHFFFAOYSA-N 0 0 399.670 7.070 50 30 GKEARN Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc2c1C ZINC000005265419 570532986 /nfs/dbraw/zinc/53/29/86/570532986.db2.gz IPDVBFQRYBTNMC-UHFFFAOYSA-N 0 0 398.491 5.027 50 30 GKEARN CC(C)(C)c1ccc(O)c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000003068826 570533770 /nfs/dbraw/zinc/53/37/70/570533770.db2.gz XIYDLOUSKIJKFI-YDZHTSKRSA-N 0 0 398.300 6.463 50 30 GKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000036093496 570535642 /nfs/dbraw/zinc/53/56/42/570535642.db2.gz HIZMJNVAYKEKLE-PEHOWQFQSA-N 0 0 379.529 5.019 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000004996293 570541052 /nfs/dbraw/zinc/54/10/52/570541052.db2.gz IFZFXZVMGMTYEE-ZEELXFFVSA-N 0 0 398.458 5.496 50 30 GKEARN Cc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1Cl ZINC000008830396 570542576 /nfs/dbraw/zinc/54/25/76/570542576.db2.gz WOPHUIDOSWTDBE-UHFFFAOYSA-N 0 0 377.243 5.933 50 30 GKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccs1 ZINC000036114334 570543170 /nfs/dbraw/zinc/54/31/70/570543170.db2.gz IMWWAQGNPFDMGS-UHFFFAOYSA-N 0 0 398.553 5.229 50 30 GKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000006720435 570548591 /nfs/dbraw/zinc/54/85/91/570548591.db2.gz AEPQEIIAICUTOJ-QHCPKHFHSA-N 0 0 394.902 5.647 50 30 GKEARN COc1ccc([C@@H]2N(c3ccc(Cl)cc3)OC(=O)N2c2ccccc2)cc1 ZINC000006720879 570550033 /nfs/dbraw/zinc/55/00/33/570550033.db2.gz DYSMMVCFGQTHDE-FQEVSTJZSA-N 0 0 380.831 5.426 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(NC[C@H](CC)c3ccccc3)o2)CC1 ZINC000061997205 570553991 /nfs/dbraw/zinc/55/39/91/570553991.db2.gz VHYCSKPBNLHEHE-SCCNAQOGSA-N 0 0 379.548 6.616 50 30 GKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cnc2ccccc21 ZINC000006728452 570554954 /nfs/dbraw/zinc/55/49/54/570554954.db2.gz POVLIBGEDUPMIT-UHFFFAOYSA-N 0 0 393.494 5.739 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccc3ncccc3c12 ZINC000006728307 570554971 /nfs/dbraw/zinc/55/49/71/570554971.db2.gz ZRSXTRIKILSITR-QFIPXVFZSA-N 0 0 395.289 6.215 50 30 GKEARN CCc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733087 570557154 /nfs/dbraw/zinc/55/71/54/570557154.db2.gz FOCPHKRPQOJWMF-OAQYLSRUSA-N 0 0 397.522 5.840 50 30 GKEARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733059 570557333 /nfs/dbraw/zinc/55/73/33/570557333.db2.gz KJOXCLQZJBTLNJ-OAQYLSRUSA-N 0 0 397.522 5.894 50 30 GKEARN CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1OCC ZINC000009434474 570558142 /nfs/dbraw/zinc/55/81/42/570558142.db2.gz PBSDSKVZPMDYJK-LPYMAVHISA-N 0 0 381.501 5.362 50 30 GKEARN COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000005383757 570570888 /nfs/dbraw/zinc/57/08/88/570570888.db2.gz BAFHAARFUDTCRG-AWEZNQCLSA-N 0 0 398.528 5.040 50 30 GKEARN Cc1ccc(Sc2ccc(/C=N/OC(=O)c3ccccc3Cl)cn2)cc1 ZINC000005416081 570588571 /nfs/dbraw/zinc/58/85/71/570588571.db2.gz LZZVNNFWHAWLDL-YDZHTSKRSA-N 0 0 382.872 5.386 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2Cl)C12CCCC2 ZINC000005427340 570590325 /nfs/dbraw/zinc/59/03/25/570590325.db2.gz VMUIBVGSTWYAFZ-UHFFFAOYSA-N 0 0 383.948 5.694 50 30 GKEARN Cc1ccc(/C=N/c2sccc2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000006788067 570593773 /nfs/dbraw/zinc/59/37/73/570593773.db2.gz CXUVSZARSIIFCJ-WYMPLXKRSA-N 0 0 388.414 6.078 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000003324115 570603335 /nfs/dbraw/zinc/60/33/35/570603335.db2.gz UEQXYDVCJHDGTP-SLTDHEAWSA-N 0 0 380.365 6.105 50 30 GKEARN CC(C)Oc1ccc(-c2nc3ccccc3c(Oc3ccc(C#N)cc3)n2)cc1 ZINC000005478015 570608139 /nfs/dbraw/zinc/60/81/39/570608139.db2.gz LXAUVYUXOQADKY-UHFFFAOYSA-N 0 0 381.435 5.748 50 30 GKEARN COc1cccc(/N=C(/Nc2cccc(OC)c2)SCc2ccccn2)c1 ZINC000004115655 570618974 /nfs/dbraw/zinc/61/89/74/570618974.db2.gz MQCQXVRHIWKNNR-UHFFFAOYSA-N 0 0 379.485 5.132 50 30 GKEARN CCCCCCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000006817997 570620833 /nfs/dbraw/zinc/62/08/33/570620833.db2.gz COPRQJJMSFGPQV-HXUWFJFHSA-N 0 0 396.560 5.281 50 30 GKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000033011035 570622953 /nfs/dbraw/zinc/62/29/53/570622953.db2.gz SIKBYUUFHBKJBR-UHFFFAOYSA-N 0 0 385.901 5.066 50 30 GKEARN CCN(C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N)c1ccccc1 ZINC000033011152 570623096 /nfs/dbraw/zinc/62/30/96/570623096.db2.gz ZZYZOYJUHNARKC-UHFFFAOYSA-N 0 0 387.508 5.074 50 30 GKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000033011263 570623957 /nfs/dbraw/zinc/62/39/57/570623957.db2.gz OVRYEDOZHJVEIV-UHFFFAOYSA-N 0 0 379.872 5.004 50 30 GKEARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccsc1/N=C/c1ccccn1 ZINC000006829959 570628470 /nfs/dbraw/zinc/62/84/70/570628470.db2.gz PTRTZSJBVKUXTE-UFFVCSGVSA-N 0 0 376.268 5.453 50 30 GKEARN O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000004595451 570631324 /nfs/dbraw/zinc/63/13/24/570631324.db2.gz VKTOKRISKHJKSQ-ADGFTTEDSA-N 0 0 390.895 6.149 50 30 GKEARN CC(C)c1cc(Oc2ccccc2Cl)nc(SCc2cccc(C#N)c2)n1 ZINC000036349804 570632756 /nfs/dbraw/zinc/63/27/56/570632756.db2.gz FSLPTHHGMKOUHJ-UHFFFAOYSA-N 0 0 395.915 6.210 50 30 GKEARN COc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)c1 ZINC000036349808 570633368 /nfs/dbraw/zinc/63/33/68/570633368.db2.gz KEQYANYRPJIQPL-UHFFFAOYSA-N 0 0 391.496 5.565 50 30 GKEARN Cc1ccc(/N=C(/Nc2ccc(C)cc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000001590084 570642661 /nfs/dbraw/zinc/64/26/61/570642661.db2.gz FLPFFMDDHHZJOP-UHFFFAOYSA-N 0 0 390.530 7.278 50 30 GKEARN C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000012362229 570646169 /nfs/dbraw/zinc/64/61/69/570646169.db2.gz PJNAWPRMDYUDRA-XAYXJRQQSA-N 0 0 376.503 6.784 50 30 GKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000012406260 570653577 /nfs/dbraw/zinc/65/35/77/570653577.db2.gz IJMKLXXVVBCWKF-HKOYGPOVSA-N 0 0 385.294 5.965 50 30 GKEARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000012406267 570653586 /nfs/dbraw/zinc/65/35/86/570653586.db2.gz OWHABUCRRJRPGX-NCELDCMTSA-N 0 0 399.321 6.219 50 30 GKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(C)c1 ZINC000012406434 570653925 /nfs/dbraw/zinc/65/39/25/570653925.db2.gz PPTBTHDPEDHAPX-VRCPTZKISA-N 0 0 376.500 5.455 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccc3ncccc3c12 ZINC000000848749 570661829 /nfs/dbraw/zinc/66/18/29/570661829.db2.gz NRPGYVCZRGAYHM-QFIPXVFZSA-N 0 0 395.289 6.215 50 30 GKEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 ZINC000013653893 570665090 /nfs/dbraw/zinc/66/50/90/570665090.db2.gz PGBUNMITQBAQFW-HMAPJEAMSA-N 0 0 376.452 5.351 50 30 GKEARN Cc1ccc(CNc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 ZINC000012418860 570671340 /nfs/dbraw/zinc/67/13/40/570671340.db2.gz MLOJJWRLDITRPK-UHFFFAOYSA-N 0 0 385.423 5.306 50 30 GKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000005637004 570677939 /nfs/dbraw/zinc/67/79/39/570677939.db2.gz HLMPWKIMZCUPMD-WOJGMQOQSA-N 0 0 398.846 5.631 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCCCC3=O)n2)cc1 ZINC000005659265 570680369 /nfs/dbraw/zinc/68/03/69/570680369.db2.gz RQJXKZBLIYRTOR-DEOSSOPVSA-N 0 0 398.531 6.200 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[S@@](C)=O)n2)cc1 ZINC000005659260 570680423 /nfs/dbraw/zinc/68/04/23/570680423.db2.gz YWLHYEHKSWFXJM-SANMLTNESA-N 0 0 378.522 5.024 50 30 GKEARN CC(C)c1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000003130451 570680753 /nfs/dbraw/zinc/68/07/53/570680753.db2.gz CSPLOCHTPBODKN-QFIPXVFZSA-N 0 0 399.446 5.037 50 30 GKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000012630533 570692857 /nfs/dbraw/zinc/69/28/57/570692857.db2.gz PQOONWXYKHRVJH-JWQCQUIFSA-N 0 0 397.478 5.120 50 30 aggregator GKEARN COc1ccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1OC ZINC000012630762 570693153 /nfs/dbraw/zinc/69/31/53/570693153.db2.gz LXBMRKPVQBTWKB-DHIUTWEWSA-N 0 0 397.478 5.120 50 30 GKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000012652233 570695428 /nfs/dbraw/zinc/69/54/28/570695428.db2.gz ZFMNNFWNWPSLHG-XMMPIXPASA-N 0 0 398.462 5.409 50 30 GKEARN N#Cc1ccccc1CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000004357169 570696929 /nfs/dbraw/zinc/69/69/29/570696929.db2.gz JTDNSJFWHLIONX-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccoc1C ZINC000006911898 570699494 /nfs/dbraw/zinc/69/94/94/570699494.db2.gz YUQZCABTFFSKAQ-UHFFFAOYSA-N 0 0 380.300 5.632 50 30 GKEARN CCCCCCCCCc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000604418687 570700757 /nfs/dbraw/zinc/70/07/57/570700757.db2.gz ICBUETCHZAGVDD-FCDQGJHFSA-N 0 0 375.512 6.324 50 30 GKEARN COc1ccc(OC)c(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1 ZINC000012796832 570716578 /nfs/dbraw/zinc/71/65/78/570716578.db2.gz YVZPEJKELGQODQ-HKWRFOASSA-N 0 0 399.446 5.577 50 30 GKEARN COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 ZINC000058196727 570718289 /nfs/dbraw/zinc/71/82/89/570718289.db2.gz SFLGQYHVCCJNFC-SAPNQHFASA-N 0 0 379.459 6.115 50 30 GKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(C)=O)n2)cc1 ZINC000000968857 570739641 /nfs/dbraw/zinc/73/96/41/570739641.db2.gz RNQBINDXKFBZFS-UHFFFAOYSA-N 0 0 380.494 5.038 50 30 GKEARN Cc1cc(SCc2cccc3ccccc32)n2c3ccccc3nc2c1C#N ZINC000004403355 570740759 /nfs/dbraw/zinc/74/07/59/570740759.db2.gz OUSWEJJHUBZQFR-UHFFFAOYSA-N 0 0 379.488 6.113 50 30 GKEARN CC#Cc1cc(CCCCCCCC)c(C#CC)cc1CCCCCCCC ZINC000060290652 570741018 /nfs/dbraw/zinc/74/10/18/570741018.db2.gz SKVLNUXBFHZNAZ-UHFFFAOYSA-N 0 0 378.644 8.235 50 30 GKEARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(OCC#N)cc3)cs2)cc1 ZINC000013015386 570741999 /nfs/dbraw/zinc/74/19/99/570741999.db2.gz TUCRFYBHWIOBKA-UHFFFAOYSA-N 0 0 377.469 5.088 50 30 GKEARN Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c(C)c1 ZINC000000976998 570742070 /nfs/dbraw/zinc/74/20/70/570742070.db2.gz DLBLERMMQGQTKB-UHFFFAOYSA-N 0 0 375.497 5.071 50 30 GKEARN Cc1ccc2nc(SCC(=O)Nc3c(C)ccc4ccccc43)c(C#N)cc2c1 ZINC000000976912 570742072 /nfs/dbraw/zinc/74/20/72/570742072.db2.gz DVCZGOOCMSYCSJ-UHFFFAOYSA-N 0 0 397.503 5.607 50 30 GKEARN COc1ccc([C@@H](CC#N)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000984276 570743338 /nfs/dbraw/zinc/74/33/38/570743338.db2.gz MMKZAQPKWHJOGQ-CABCVRRESA-N 0 0 375.255 5.315 50 30 GKEARN COc1ccc([C@H](CC#N)[C@@H](C#N)c2c(Cl)cccc2Cl)cc1OC ZINC000000984245 570743378 /nfs/dbraw/zinc/74/33/78/570743378.db2.gz VTYWIXUOOKUJDC-UONOGXRCSA-N 0 0 375.255 5.315 50 30 GKEARN COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 ZINC000013116066 570746959 /nfs/dbraw/zinc/74/69/59/570746959.db2.gz VPFUWGGRSSAAIQ-ZMOGYAJESA-N 0 0 388.379 5.439 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccccc1C(F)(F)F ZINC000001075751 570750271 /nfs/dbraw/zinc/75/02/71/570750271.db2.gz YYNPTMHJULESLX-GFCCVEGCSA-N 0 0 391.414 5.295 50 30 GKEARN CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(OCC)cc1 ZINC000013470982 570755559 /nfs/dbraw/zinc/75/55/59/570755559.db2.gz PCTLXVJKLCJZFI-JHHKTYBCSA-N 0 0 397.544 5.055 50 30 GKEARN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3cccc(Cl)c3)o2)c(Cl)c1 ZINC000015133806 570758669 /nfs/dbraw/zinc/75/86/69/570758669.db2.gz CFXDGBODFAHFFQ-JMIUGGIZSA-N 0 0 376.199 5.608 50 30 GKEARN N#Cc1c(C#N)c(OCCCc2ccccc2)ccc1OCCCc1ccccc1 ZINC000096602192 570774861 /nfs/dbraw/zinc/77/48/61/570774861.db2.gz UXPLFPWOBQFNCQ-UHFFFAOYSA-N 0 0 396.490 5.453 50 30 GKEARN CCCCCCCCC/C=C/C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000100837400 570776397 /nfs/dbraw/zinc/77/63/97/570776397.db2.gz ZBLYBBCUWIWODA-KQDNUWKFSA-N 0 0 393.593 5.306 50 30 GKEARN Cc1oc(-c2cccs2)nc1CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000036654405 570781079 /nfs/dbraw/zinc/78/10/79/570781079.db2.gz NNVUSRTUZHLGGD-UHFFFAOYSA-N 0 0 395.431 5.598 50 30 GKEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000244795845 570786814 /nfs/dbraw/zinc/78/68/14/570786814.db2.gz RONMMIBOTPNRTD-UHFFFAOYSA-N 0 0 395.340 5.145 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(Cl)cc1 ZINC000036694984 570791728 /nfs/dbraw/zinc/79/17/28/570791728.db2.gz BVXOKMDYYJGGJZ-UHFFFAOYSA-N 0 0 392.911 5.335 50 30 GKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C(\C)c1ccccc1O ZINC000004476801 570794845 /nfs/dbraw/zinc/79/48/45/570794845.db2.gz GPALEEIYZWAGNZ-DAEAJKMYSA-N 0 0 383.904 5.087 50 30 GKEARN Cc1c(C#N)c2c3ccccc3ccn2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005677952 570795194 /nfs/dbraw/zinc/79/51/94/570795194.db2.gz SZJIPBCPXBOCBP-UHFFFAOYSA-N 0 0 393.368 5.544 50 30 GKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1 ZINC000004482268 570804001 /nfs/dbraw/zinc/80/40/01/570804001.db2.gz VCRHIDQIGRXWFP-QNGOZBTKSA-N 0 0 399.446 5.009 50 30 GKEARN N#Cc1ccc(COC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000005938687 570805640 /nfs/dbraw/zinc/80/56/40/570805640.db2.gz LFBSULNROOVKIS-ROUUACIJSA-N 0 0 376.481 5.185 50 30 GKEARN COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)c2ccccc12 ZINC000005958963 570808619 /nfs/dbraw/zinc/80/86/19/570808619.db2.gz QVRSMYZYUPGURZ-YBFXNURJSA-N 0 0 394.883 5.393 50 30 GKEARN Cc1ccc(Cn2cccc2/C=N\NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000033096922 570809725 /nfs/dbraw/zinc/80/97/25/570809725.db2.gz PJAFOKMXZFUJAO-IWIPYMOSSA-N 0 0 390.556 5.289 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000033096930 570809762 /nfs/dbraw/zinc/80/97/62/570809762.db2.gz XLIUSWCSIMEHJJ-KQWNVCNZSA-N 0 0 382.577 5.250 50 30 GKEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000004492802 570809997 /nfs/dbraw/zinc/80/99/97/570809997.db2.gz RYAIRXCAEGMKRD-GFCCVEGCSA-N 0 0 389.883 5.134 50 30 GKEARN CC(C)c1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000004663796 570812837 /nfs/dbraw/zinc/81/28/37/570812837.db2.gz ORHARHNITJVLGB-QFIPXVFZSA-N 0 0 397.518 6.588 50 30 GKEARN CCCCC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000006016303 570814586 /nfs/dbraw/zinc/81/45/86/570814586.db2.gz LHBDOSQZQCOKJD-UHFFFAOYSA-N 0 0 378.310 5.264 50 30 GKEARN CCCCc1ccc(Nc2cc(CCC)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004674693 570819493 /nfs/dbraw/zinc/81/94/93/570819493.db2.gz RSFXPQHUGJYENF-UHFFFAOYSA-N 0 0 382.511 6.398 50 30 GKEARN CSc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000101423784 570821753 /nfs/dbraw/zinc/82/17/53/570821753.db2.gz MWZLRJJMEDEAMQ-HNPUNDFXSA-N 0 0 382.554 5.669 50 30 GKEARN Cc1ccc(C2=NOC(=O)/C2=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000101453338 570823509 /nfs/dbraw/zinc/82/35/09/570823509.db2.gz YNZJJCQYZCMGJK-HYARGMPZSA-N 0 0 387.410 5.058 50 30 GKEARN COc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000101485174 570824575 /nfs/dbraw/zinc/82/45/75/570824575.db2.gz GLPFKDSABFADSV-FPLPWBNLSA-N 0 0 385.769 5.185 50 30 GKEARN CCCCCCCCOc1ccc(-c2ccc(-c3ncc(O)cn3)cc2)cc1 ZINC000003215854 570838881 /nfs/dbraw/zinc/83/88/81/570838881.db2.gz LVYUGWHRHISGKJ-UHFFFAOYSA-N 0 0 376.500 6.256 50 30 GKEARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)sc2c1 ZINC000004526062 570843139 /nfs/dbraw/zinc/84/31/39/570843139.db2.gz DKHGVYJUVGHAKS-UHFFFAOYSA-N 0 0 387.439 5.535 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)o1 ZINC000004698718 570843247 /nfs/dbraw/zinc/84/32/47/570843247.db2.gz UYUGDBUKYBGSHO-FYJGNVAPSA-N 0 0 375.409 5.729 50 30 GKEARN N#Cc1ccccc1-c1ccc(CSc2nncn2-c2ccccc2F)cc1 ZINC000012543944 570844096 /nfs/dbraw/zinc/84/40/96/570844096.db2.gz QMZWHWLDLJAYNB-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000004537189 570847768 /nfs/dbraw/zinc/84/77/68/570847768.db2.gz NAHXGHRLMBURLN-VMPITWQZSA-N 0 0 398.758 5.313 50 30 GKEARN CCCCCCCCCCCCCCCCCCNc1cc(C)[nH]c(=S)n1 ZINC000102435900 570848321 /nfs/dbraw/zinc/84/83/21/570848321.db2.gz SVHZGHAEQRTDMN-UHFFFAOYSA-N 0 0 393.685 8.121 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C#N)cc1 ZINC000102484531 570849539 /nfs/dbraw/zinc/84/95/39/570849539.db2.gz LJUAWURLVBLTOC-XMMPIXPASA-N 0 0 399.494 5.761 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C#N)cc1 ZINC000102484529 570849652 /nfs/dbraw/zinc/84/96/52/570849652.db2.gz LJUAWURLVBLTOC-DEOSSOPVSA-N 0 0 399.494 5.761 50 30 GKEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1cccs1)C1=C(CCCC1=O)N3 ZINC000102554182 570854050 /nfs/dbraw/zinc/85/40/50/570854050.db2.gz FHAOXABMCDWCJD-OAHLLOKOSA-N 0 0 392.509 5.334 50 30 GKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2ccncc2)sc2c1CCC2 ZINC000004545643 570854525 /nfs/dbraw/zinc/85/45/25/570854525.db2.gz BMMYGZIBTIUNMQ-ZVHZXABRSA-N 0 0 391.496 5.033 50 30 GKEARN Clc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c(Cl)c1 ZINC000004544170 570855738 /nfs/dbraw/zinc/85/57/38/570855738.db2.gz NEURAPAARFYXMI-MFKUBSTISA-N 0 0 392.289 6.597 50 30 GKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 ZINC000044085406 570862286 /nfs/dbraw/zinc/86/22/86/570862286.db2.gz MYSODDBEXPQICM-UHFFFAOYSA-N 0 0 375.291 5.232 50 30 GKEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044085721 570862565 /nfs/dbraw/zinc/86/25/65/570862565.db2.gz YWXHAVLUDWOVGA-UHFFFAOYSA-N 0 0 397.931 5.429 50 30 GKEARN Cc1ccccc1-n1c(-c2ccc(Br)cc2)cnc1SCC#N ZINC000044086895 570863303 /nfs/dbraw/zinc/86/33/03/570863303.db2.gz ONVFPUABJVKOKZ-UHFFFAOYSA-N 0 0 384.302 5.226 50 30 GKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000004550890 570866319 /nfs/dbraw/zinc/86/63/19/570866319.db2.gz UPDZBMDKGKTLSP-UHFFFAOYSA-N 0 0 385.901 5.066 50 30 GKEARN O=C(C=CNc1ccc(Br)cc1F)c1ccc(Br)cc1 ZINC000102965150 570872598 /nfs/dbraw/zinc/87/25/98/570872598.db2.gz FBORNYUBONKJLC-FPLPWBNLSA-N 0 0 399.057 5.159 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1c(F)cccc1Cl ZINC000170615323 570873024 /nfs/dbraw/zinc/87/30/24/570873024.db2.gz LINPVMFQWOMQFI-IERDGZPVSA-N 0 0 386.850 5.107 50 30 GKEARN Cc1nc(SCC(=O)Nc2cccc3ccccc32)c(C#N)c(C)c1Cl ZINC000003617949 570878289 /nfs/dbraw/zinc/87/82/89/570878289.db2.gz DTBXYQHBQMAUKX-UHFFFAOYSA-N 0 0 381.888 5.108 50 30 GKEARN CCCCCCCCOc1ccc(OC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000103273807 570880477 /nfs/dbraw/zinc/88/04/77/570880477.db2.gz VJDQQVDFTBJLDU-WQRHYEAKSA-N 0 0 382.500 6.053 50 30 GKEARN O=C(Nc1cccc(Cl)c1)c1c(/N=C/c2ccccc2)sc2c1CCCC2 ZINC000004554186 570880702 /nfs/dbraw/zinc/88/07/02/570880702.db2.gz OBZDMEOYAOWPIY-ZVHZXABRSA-N 0 0 394.927 6.283 50 30 GKEARN COc1ccc(CN(Cc2ccco2)c2oc(-c3cccs3)nc2C#N)cc1 ZINC000170623778 570881622 /nfs/dbraw/zinc/88/16/22/570881622.db2.gz RAGUZMOCUGRZTJ-UHFFFAOYSA-N 0 0 391.452 5.083 50 30 GKEARN Cc1ccc(CN(Cc2ccco2)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000170623745 570881709 /nfs/dbraw/zinc/88/17/09/570881709.db2.gz GNFQOSSXHANKBM-UHFFFAOYSA-N 0 0 383.451 5.630 50 30 GKEARN Cc1ccc(-c2nc(C#N)c(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000170623830 570881808 /nfs/dbraw/zinc/88/18/08/570881808.db2.gz FQTIPFOBJSGLNU-UHFFFAOYSA-N 0 0 375.280 6.121 50 30 GKEARN CCCCCCCc1c2c(C)c(C(=O)OCC)nc-2cc2n1[C@H](C)C(C)=C2C ZINC000003671347 570882723 /nfs/dbraw/zinc/88/27/23/570882723.db2.gz KKMTVJSSINAMEO-GOSISDBHSA-N 0 0 382.548 6.354 50 30 GKEARN CCCCC1CCC(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000015279488 570886472 /nfs/dbraw/zinc/88/64/72/570886472.db2.gz AIMBCVDWYSVPAN-UHFFFAOYSA-N 0 0 394.515 5.277 50 30 GKEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000103911881 570890317 /nfs/dbraw/zinc/89/03/17/570890317.db2.gz SIVXBSIHDUCLKS-OEAKJJBVSA-N 0 0 399.446 5.161 50 30 GKEARN N#Cc1c(NC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCC2 ZINC000010218161 570892216 /nfs/dbraw/zinc/89/22/16/570892216.db2.gz XKGYDFGCLOOPFN-UHFFFAOYSA-N 0 0 376.934 5.273 50 30 GKEARN COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br ZINC000001231440 570900168 /nfs/dbraw/zinc/90/01/68/570900168.db2.gz QRFCCZCXEAEORV-KEBDBYFISA-N 0 0 375.291 5.020 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000250771908 570902787 /nfs/dbraw/zinc/90/27/87/570902787.db2.gz AKCUOAXWDGLVBY-UHFFFAOYSA-N 0 0 376.199 5.608 50 30 GKEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccs1 ZINC000251524797 570905620 /nfs/dbraw/zinc/90/56/20/570905620.db2.gz BZHDWIGTAULBAA-YOEHRIQHSA-N 0 0 399.585 5.114 50 30 GKEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccs1 ZINC000251524786 570905651 /nfs/dbraw/zinc/90/56/51/570905651.db2.gz BZHDWIGTAULBAA-PBHICJAKSA-N 0 0 399.585 5.114 50 30 GKEARN CCCCCCCCCCCCCCC[C@H](O)[C@@H](CO)NC(=O)CCCCC ZINC000078215304 570907342 /nfs/dbraw/zinc/90/73/42/570907342.db2.gz VUMHYWBWYSPQMM-PKTZIBPZSA-N 0 0 399.660 5.886 50 30 GKEARN CCOc1ccc(C(=O)C=CNc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000051318828 570911225 /nfs/dbraw/zinc/91/12/25/570911225.db2.gz MLQLBJNKDWIRRE-FOCLMDBBSA-N 0 0 384.479 6.022 50 30 GKEARN O=C(/C=C/c1ccccc1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004595247 570915224 /nfs/dbraw/zinc/91/52/24/570915224.db2.gz RBRIYZXTGWXESY-IZZDOVSWSA-N 0 0 385.507 5.738 50 30 GKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000005738720 570916117 /nfs/dbraw/zinc/91/61/17/570916117.db2.gz OHQOLFYVGAZDOH-YGAJUMRDSA-N 0 0 399.947 5.283 50 30 GKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1c(F)cccc1Cl ZINC000016890314 570916718 /nfs/dbraw/zinc/91/67/18/570916718.db2.gz NZZWDEJNGXJMPR-UHFFFAOYSA-N 0 0 399.878 5.149 50 30 GKEARN C/C(=N/Nc1ccc(C)c(C)c1)c1cc2cc(Br)ccc2oc1=O ZINC000004587082 570921913 /nfs/dbraw/zinc/92/19/13/570921913.db2.gz IRFOIHZVCUVKOV-BKUYFWCQSA-N 0 0 385.261 5.008 50 30 GKEARN C=CCOc1ccc2c(c1)C(=NNc1cccc(C)c1)c1cc(OCC=C)ccc1-2 ZINC000004588025 570922955 /nfs/dbraw/zinc/92/29/55/570922955.db2.gz LLEYXJUSQMUCOF-UHFFFAOYSA-N 0 0 396.490 5.970 50 30 GKEARN O=C1/C(=C/c2ccc([N+](=O)[O-])o2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000016451048 570925620 /nfs/dbraw/zinc/92/56/20/570925620.db2.gz QJWBXOCIXSSBQN-VYHRCCAKSA-N 0 0 397.456 5.125 50 30 GKEARN N#Cc1c(-c2ccc(Cl)cc2)ccnc1Sc1cccc(C(F)(F)F)c1 ZINC000004053726 570926018 /nfs/dbraw/zinc/92/60/18/570926018.db2.gz VGOYSDCQYQNKJY-UHFFFAOYSA-N 0 0 390.817 6.444 50 30 GKEARN c1ccc([C@]23c4ccccc4/C(=N/C4CCCCC4)[C@H]2N3C2CCCCC2)cc1 ZINC000017112047 570927437 /nfs/dbraw/zinc/92/74/37/570927437.db2.gz SHSOKWPHFHWYHE-PPYHRRJWSA-N 0 0 384.567 6.083 50 30 GKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(Cl)cc1Cl ZINC000016672855 570930224 /nfs/dbraw/zinc/93/02/24/570930224.db2.gz FUQPOFYYOOUECY-AUWJEWJLSA-N 0 0 383.687 5.538 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000004078792 570931069 /nfs/dbraw/zinc/93/10/69/570931069.db2.gz PPIDBJOABOLVIO-SNVBAGLBSA-N 0 0 397.481 5.120 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000004078793 570931250 /nfs/dbraw/zinc/93/12/50/570931250.db2.gz PPIDBJOABOLVIO-JTQLQIEISA-N 0 0 397.481 5.120 50 30 GKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc1 ZINC000012637056 570932243 /nfs/dbraw/zinc/93/22/43/570932243.db2.gz PWRHVGCKYVDDRW-UUYOSTAYSA-N 0 0 376.383 5.030 50 30 biogenic GKEARN N#Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002073048 570932306 /nfs/dbraw/zinc/93/23/06/570932306.db2.gz CIZQGUCLXYFZMG-UHFFFAOYSA-N 0 0 384.822 5.646 50 30 GKEARN O=C1/C(=C/C=C/c2ccccc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000032931773 570946509 /nfs/dbraw/zinc/94/65/09/570946509.db2.gz QHCZRSGURVBKRT-AFTVXIKRSA-N 0 0 388.536 6.180 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 ZINC000002384443 570947963 /nfs/dbraw/zinc/94/79/63/570947963.db2.gz ZCNMJKKTWMWIQZ-UHFFFAOYSA-N 0 0 382.341 5.792 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C)CC3 ZINC000001269099 570951873 /nfs/dbraw/zinc/95/18/73/570951873.db2.gz SVKGDDRLWYATID-OAHLLOKOSA-N 0 0 396.581 5.299 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1C ZINC000018244471 570952199 /nfs/dbraw/zinc/95/21/99/570952199.db2.gz MCUZOIXXLQXJBK-NRFANRHFSA-N 0 0 394.540 5.610 50 30 GKEARN O=C(Nc1ccc(/N=C/C=C\c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 ZINC000004738132 570952497 /nfs/dbraw/zinc/95/24/97/570952497.db2.gz OAEVQCOCTUNBHD-IEFHZYTCSA-N 0 0 395.289 6.661 50 30 GKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCCC2 ZINC000001278126 570952733 /nfs/dbraw/zinc/95/27/33/570952733.db2.gz IIDHOSFJVMJIHP-UHFFFAOYSA-N 0 0 384.504 5.474 50 30 GKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(Cl)c1 ZINC000004740370 570954253 /nfs/dbraw/zinc/95/42/53/570954253.db2.gz OFHUNHYLXSHYJE-IHCIQGKHSA-N 0 0 382.891 5.492 50 30 GKEARN CSc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000252337689 570954702 /nfs/dbraw/zinc/95/47/02/570954702.db2.gz CJIQSXULDKLRPC-GUADBCJISA-N 0 0 380.578 6.596 50 30 GKEARN O=C1c2ccccc2S/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000083307500 570957476 /nfs/dbraw/zinc/95/74/76/570957476.db2.gz GGPZJUQRRBXKAB-FYJGNVAPSA-N 0 0 378.880 6.249 50 30 GKEARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032100213 570959850 /nfs/dbraw/zinc/95/98/50/570959850.db2.gz IXHAFOBPSISVCV-KRWDZBQOSA-N 0 0 387.464 5.304 50 30 GKEARN O=C(c1ccccc1)c1ccc(N=Cc2cc(Br)ccc2O)cc1 ZINC000252460329 570960029 /nfs/dbraw/zinc/96/00/29/570960029.db2.gz DOHRCNSKBVADNE-UHFFFAOYSA-N 0 0 380.241 5.136 50 30 GKEARN O=C(Nc1ccccc1)c1ccccc1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000252460293 570960098 /nfs/dbraw/zinc/96/00/98/570960098.db2.gz DDDCUOBLTKUYKH-UHFFFAOYSA-N 0 0 379.803 5.251 50 30 GKEARN CCN(CC)c1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000252462229 570960361 /nfs/dbraw/zinc/96/03/61/570960361.db2.gz QVOFARWMWCRZRH-UHFFFAOYSA-N 0 0 399.563 6.869 50 30 GKEARN Cc1ccccc1N=C1c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000252461094 570960497 /nfs/dbraw/zinc/96/04/97/570960497.db2.gz KLCZQKKPTZPARA-UHFFFAOYSA-N 0 0 376.459 5.816 50 30 GKEARN O=C(Nc1cccc(Cl)c1)c1cccc(N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000252463133 570961053 /nfs/dbraw/zinc/96/10/53/570961053.db2.gz ZCOQQWDQDOFGFZ-UHFFFAOYSA-N 0 0 379.803 5.251 50 30 GKEARN Cc1ccc(C=Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)s1 ZINC000252462661 570961132 /nfs/dbraw/zinc/96/11/32/570961132.db2.gz VEMKEKSTSZFIOW-UHFFFAOYSA-N 0 0 389.307 6.366 50 30 GKEARN COc1cc(OC)c(C=Nc2ccc(Cl)cc2Cl)cc1Br ZINC000252463078 570961139 /nfs/dbraw/zinc/96/11/39/570961139.db2.gz YSEMPLMEIVDSAB-UHFFFAOYSA-N 0 0 389.076 5.524 50 30 GKEARN Cc1ccc(-c2nc3cc(N=Cc4c(Cl)cccc4Cl)ccc3o2)cc1 ZINC000252463068 570961212 /nfs/dbraw/zinc/96/12/12/570961212.db2.gz YPRKQYGICHCKIX-UHFFFAOYSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1c(C#N)c(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)OC(C)C ZINC000004144636 570964292 /nfs/dbraw/zinc/96/42/92/570964292.db2.gz SKSJUFUPXICUKP-UHFFFAOYSA-N 0 0 384.501 5.043 50 30 GKEARN N#Cc1c(N=Cc2cc(Cl)cc(Cl)c2[O-])sc2c1C1CCN2CC1 ZINC000252477164 570965313 /nfs/dbraw/zinc/96/53/13/570965313.db2.gz JIBMKRBVTZATBB-UHFFFAOYSA-N 0 0 378.284 5.080 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000003169724 570966855 /nfs/dbraw/zinc/96/68/55/570966855.db2.gz PIVOGYFHHVTSEC-VULFUBBASA-N 0 0 398.849 6.758 50 30 GKEARN COc1nc2c(c(-c3ccc(C(F)(F)F)cc3)c1C#N)CCc1ccccc1-2 ZINC000002145406 570967587 /nfs/dbraw/zinc/96/75/87/570967587.db2.gz VBNCVDUEYYWNNV-UHFFFAOYSA-N 0 0 380.369 5.413 50 30 GKEARN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000252489720 570970226 /nfs/dbraw/zinc/97/02/26/570970226.db2.gz JYLJYKIDOQZWED-XIEYBQDHSA-N 0 0 389.524 5.285 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000001389124 570976786 /nfs/dbraw/zinc/97/67/86/570976786.db2.gz NCUAILNIBJDZIX-OAQYLSRUSA-N 0 0 397.316 5.652 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000001389125 570976815 /nfs/dbraw/zinc/97/68/15/570976815.db2.gz NCUAILNIBJDZIX-NRFANRHFSA-N 0 0 397.316 5.652 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(F)cc2Br)cc1 ZINC000044843187 570979854 /nfs/dbraw/zinc/97/98/54/570979854.db2.gz LUEIPCPQCLYALP-ZHACJKMWSA-N 0 0 392.268 5.576 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000044843013 570979930 /nfs/dbraw/zinc/97/99/30/570979930.db2.gz TYMLKUMGIQVPPH-ISLYRVAYSA-N 0 0 399.490 5.905 50 30 GKEARN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1ccc(CC#N)cc1 ZINC000001403545 570982335 /nfs/dbraw/zinc/98/23/35/570982335.db2.gz CLWYJRXFBBGFIK-UHFFFAOYSA-N 0 0 383.278 5.110 50 30 GKEARN C=CCn1c(=O)cc(C(F)(F)F)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000001403049 570982556 /nfs/dbraw/zinc/98/25/56/570982556.db2.gz HXNRCAXOWUFXKT-UHFFFAOYSA-N 0 0 395.233 5.047 50 30 GKEARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCCCC/C1=N\c1ccccc1 ZINC000001409653 570985208 /nfs/dbraw/zinc/98/52/08/570985208.db2.gz CBONBVWORPPJHC-HKOYGPOVSA-N 0 0 375.394 5.844 50 30 GKEARN CC#Cc1cc(C[C@H](CC)CCCC)c(C#CC)cc1C[C@H](CC)CCCC ZINC000060290673 570988569 /nfs/dbraw/zinc/98/85/69/570988569.db2.gz CWDFKLNDSGZYPM-DNQXCXABSA-N 0 0 378.644 7.947 50 30 GKEARN CCCCc1nc2sc(C(=O)OCC)c(/N=C/OCC)c2c2c1CCCC2 ZINC000004785823 570989933 /nfs/dbraw/zinc/98/99/33/570989933.db2.gz QBELLZILRSZJED-LPYMAVHISA-N 0 0 388.533 5.391 50 30 GKEARN N#CCc1nc(-c2ccccc2)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000606422271 570993212 /nfs/dbraw/zinc/99/32/12/570993212.db2.gz JEGZBLPCGDYCPZ-UHFFFAOYSA-N 0 0 377.513 5.031 50 30 GKEARN COc1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794850 570993754 /nfs/dbraw/zinc/99/37/54/570993754.db2.gz MASVZROQIZUYIM-QHCPKHFHSA-N 0 0 383.491 6.049 50 30 GKEARN N#Cc1c(SCc2cccc(F)c2)nsc1SCc1cccc(F)c1 ZINC000002190326 570994637 /nfs/dbraw/zinc/99/46/37/570994637.db2.gz AECJALMVRSFBMZ-UHFFFAOYSA-N 0 0 390.505 5.878 50 30 GKEARN C=CCn1c(-c2ccccc2)csc1=NN=C(C)c1ccc2ccccc2c1 ZINC000252588331 570997029 /nfs/dbraw/zinc/99/70/29/570997029.db2.gz AAPCOHKAJCGXDS-UHFFFAOYSA-N 0 0 383.520 5.881 50 30 GKEARN CSC1=NC(=Nc2cccc(C)c2)C2(CCCCC2)N1c1ccccc1C ZINC000252589193 570997582 /nfs/dbraw/zinc/99/75/82/570997582.db2.gz AIHDKFFJZZBTLL-UHFFFAOYSA-N 0 0 377.557 6.276 50 30 GKEARN Oc1ccc(Br)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000252588705 570997766 /nfs/dbraw/zinc/99/77/66/570997766.db2.gz ADXBWSNQGSUCEE-UHFFFAOYSA-N 0 0 393.240 5.714 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(C)cc2/C=C2\Sc3ccccc3C2=O)cc1 ZINC000004825206 570998891 /nfs/dbraw/zinc/99/88/91/570998891.db2.gz FXNAYYHAGNBYFU-HMAPJEAMSA-N 0 0 386.472 5.852 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1O ZINC000004812523 570998969 /nfs/dbraw/zinc/99/89/69/570998969.db2.gz GKCUQASZVCHGRV-VULFUBBASA-N 0 0 388.858 5.492 50 30 GKEARN CC(C)Oc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000252591380 571000980 /nfs/dbraw/zinc/00/09/80/571000980.db2.gz BATXVMUQJWUIPK-FNLGWUMESA-N 0 0 386.904 5.361 50 30 GKEARN CN(C)c1ccc(C=Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000252596755 571003745 /nfs/dbraw/zinc/00/37/45/571003745.db2.gz CMINFVVVLYEQBP-UHFFFAOYSA-N 0 0 388.902 5.555 50 30 GKEARN CCOc1cccc(C=Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1O ZINC000252596003 571003779 /nfs/dbraw/zinc/00/37/79/571003779.db2.gz CFGRWWBTBBVYLU-UHFFFAOYSA-N 0 0 386.451 5.967 50 30 GKEARN Oc1ccccc1N=C(C(=Nc1ccccc1O)c1ccccc1)c1ccccc1 ZINC000252597541 571004294 /nfs/dbraw/zinc/00/42/94/571004294.db2.gz CSKQFTYVPABQDQ-UHFFFAOYSA-N 0 0 392.458 6.040 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(N=C/C=C/c4ccc([N+](=O)[O-])cc4)c3)oc2c1 ZINC000252598210 571004310 /nfs/dbraw/zinc/00/43/10/571004310.db2.gz CYDABQWPEBMBQZ-HELKRTJESA-N 0 0 397.434 6.436 50 30 GKEARN Cc1ccc(N=Cc2cccc(Br)c2)c(C(=O)c2ccccc2)c1 ZINC000252601242 571005586 /nfs/dbraw/zinc/00/55/86/571005586.db2.gz DYLVXAUYKMAWMW-UHFFFAOYSA-N 0 0 378.269 5.739 50 30 GKEARN CC(=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)cc1 ZINC000252601235 571005612 /nfs/dbraw/zinc/00/56/12/571005612.db2.gz DYGRYSIFRUBVCR-UHFFFAOYSA-N 0 0 396.877 7.279 50 30 GKEARN Cc1cc(O)c(/C=N/c2ccc(I)cc2)c(C)c1Cl ZINC000001435144 571006681 /nfs/dbraw/zinc/00/66/81/571006681.db2.gz JDQJRWHDHRMKHM-QGMBQPNBSA-N 0 0 385.632 5.018 50 30 GKEARN CCOc1ccc(N=C2S/C(=C/c3ccccc3OCC)C(=O)N2CC)cc1 ZINC000252604394 571006664 /nfs/dbraw/zinc/00/66/64/571006664.db2.gz FZHAASNDGHSIOZ-COSNONQRSA-N 0 0 396.512 5.108 50 30 GKEARN CCn1c2ccccc2c2cc(C=Nn3c4ccccc4c4ccccc43)ccc21 ZINC000252604596 571007187 /nfs/dbraw/zinc/00/71/87/571007187.db2.gz GARFLCLNQNHQEX-UHFFFAOYSA-N 0 0 387.486 6.805 50 30 GKEARN Oc1ccc2cc(Br)ccc2c1C=Nc1cccc2nsnc21 ZINC000252607298 571007661 /nfs/dbraw/zinc/00/76/61/571007661.db2.gz GZQROPMWAUYRDC-UHFFFAOYSA-N 0 0 384.258 5.063 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)N(C)C2=O)cc1 ZINC000252608325 571008083 /nfs/dbraw/zinc/00/80/83/571008083.db2.gz HJCCBIOUASZVDY-SPDSTVKKSA-N 0 0 378.497 5.048 50 30 GKEARN N#CC(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000252609847 571009469 /nfs/dbraw/zinc/00/94/69/571009469.db2.gz HWFUFYSVCPLRPX-UHFFFAOYSA-N 0 0 387.053 5.475 50 30 GKEARN Cc1ccccc1CSc1nsc(SCc2ccccc2C)c1C#N ZINC000002217800 571012976 /nfs/dbraw/zinc/01/29/76/571012976.db2.gz FTRWNUDEKHKICD-UHFFFAOYSA-N 0 0 382.579 6.216 50 30 GKEARN CN(C)c1ccc(-c2nc3ccccn3c2N=Cc2cc(Cl)ccc2O)cc1 ZINC000252612930 571015695 /nfs/dbraw/zinc/01/56/95/571015695.db2.gz IXFYPBYBSWZKKA-UHFFFAOYSA-N 0 0 390.874 5.177 50 30 GKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 ZINC000252613455 571016790 /nfs/dbraw/zinc/01/67/90/571016790.db2.gz JBSVFIXRPCUCBB-HNNYNVTISA-N 0 0 380.513 5.270 50 30 GKEARN CCOc1ccc(C(CCCCC(=NO)c2ccc(OCC)cc2)=NO)cc1 ZINC000252616109 571018442 /nfs/dbraw/zinc/01/84/42/571018442.db2.gz JXCQTUNFQOMDCS-UHFFFAOYSA-N 0 0 384.476 5.101 50 30 GKEARN Cc1ccc2oc(-c3cc(N=Cc4ccc(Cl)cc4)ccc3Cl)nc2c1 ZINC000252617260 571018798 /nfs/dbraw/zinc/01/87/98/571018798.db2.gz KPLSBWWEHDPHIZ-UHFFFAOYSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1ccc(Oc2cc(C(C)(C)C)nc(SCc3ccccc3C#N)n2)cc1 ZINC000037509707 571021072 /nfs/dbraw/zinc/02/10/72/571021072.db2.gz LFNKLUVGKQQNTA-UHFFFAOYSA-N 0 0 389.524 6.039 50 30 GKEARN CC(C)(C)c1cc(Oc2ccccc2)nc(SCc2ccccc2C#N)n1 ZINC000037510626 571021143 /nfs/dbraw/zinc/02/11/43/571021143.db2.gz XAOULCLQROGKKE-UHFFFAOYSA-N 0 0 375.497 5.730 50 30 GKEARN CCc1cc(Oc2ccc(C)cc2C)nc(SCc2ccccc2C#N)n1 ZINC000037509978 571021212 /nfs/dbraw/zinc/02/12/12/571021212.db2.gz LCVLSWWBDPDLBH-UHFFFAOYSA-N 0 0 375.497 5.612 50 30 GKEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc2ccccc2c1 ZINC000007721247 571021559 /nfs/dbraw/zinc/02/15/59/571021559.db2.gz YXTJHAIRBDUTLR-UHFFFAOYSA-N 0 0 383.451 5.027 50 30 GKEARN N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(C(F)(F)F)cn1 ZINC000084576824 571023543 /nfs/dbraw/zinc/02/35/43/571023543.db2.gz KZTVVVBRQLTXSG-INIZCTEOSA-N 0 0 398.409 5.418 50 30 GKEARN CCOc1cccc(C=Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1O ZINC000252619956 571025703 /nfs/dbraw/zinc/02/57/03/571025703.db2.gz LUWWGYIQCNESEO-UHFFFAOYSA-N 0 0 385.419 5.315 50 30 GKEARN CSC1=NC(=Nc2cccc(Cl)c2)C2(CCCC2)N1c1ccccc1C ZINC000252620741 571026792 /nfs/dbraw/zinc/02/67/92/571026792.db2.gz MLAAKRBKGDVABJ-UHFFFAOYSA-N 0 0 383.948 6.230 50 30 GKEARN Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl ZINC000001436818 571033400 /nfs/dbraw/zinc/03/34/00/571033400.db2.gz PCTCHNOQPXDPRR-UFFVCSGVSA-N 0 0 375.211 6.221 50 30 GKEARN N#Cc1c(N=Cc2ccc(O)cc2O)oc(-c2ccccc2)c1-c1ccccc1 ZINC000252622113 571033929 /nfs/dbraw/zinc/03/39/29/571033929.db2.gz NPCPFXOAANMGLI-UHFFFAOYSA-N 0 0 380.403 5.647 50 30 GKEARN CCOc1cccc(C=Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O ZINC000252623325 571034865 /nfs/dbraw/zinc/03/48/65/571034865.db2.gz OOMBROPYBDJFCQ-UHFFFAOYSA-N 0 0 386.451 5.967 50 30 GKEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](CCC)OC3)cc1 ZINC000002213682 571034872 /nfs/dbraw/zinc/03/48/72/571034872.db2.gz WJCDKOCMGFQQJZ-KRWDZBQOSA-N 0 0 398.528 5.292 50 30 GKEARN N#CCSc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000007778303 571036091 /nfs/dbraw/zinc/03/60/91/571036091.db2.gz URVHUHVRYLYRNT-OAQYLSRUSA-N 0 0 392.911 5.475 50 30 GKEARN COCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=Nc1ccccc1 ZINC000252624023 571037207 /nfs/dbraw/zinc/03/72/07/571037207.db2.gz PESYGBTYPWDHEG-COSNONQRSA-N 0 0 380.513 5.060 50 30 GKEARN Cc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)o1 ZINC000252624073 571037283 /nfs/dbraw/zinc/03/72/83/571037283.db2.gz PFORUUQOMJIIPA-AWAAXKIWSA-N 0 0 388.492 6.013 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc3ccc4cccc5ccc2c3c45)SC1=S ZINC000004844773 571042900 /nfs/dbraw/zinc/04/29/00/571042900.db2.gz CSDBQCADRLURTO-CPNJWEJPSA-N 0 0 385.513 5.971 50 30 GKEARN Cc1ccccc1Nc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000095481560 571073914 /nfs/dbraw/zinc/07/39/14/571073914.db2.gz QSGRQHSTNJLVBJ-LGUFXXKBSA-N 0 0 395.462 5.566 50 30 GKEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000006527247 230849069 /nfs/dbraw/zinc/84/90/69/230849069.db2.gz COQRBHXZKCEAKO-HJWRWDBZSA-N 0 0 391.254 5.103 50 30 GKEARN C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000008153672 230861078 /nfs/dbraw/zinc/86/10/78/230861078.db2.gz REQSCMOMDONJCY-NSHDSACASA-N 0 0 390.858 5.182 50 30 GKEARN COc1ccc([C@H]2C[C@H]2/C(C)=N/OC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012350541 230878129 /nfs/dbraw/zinc/87/81/29/230878129.db2.gz XRJJONMYLWJZHS-RAVCNUTFSA-N 0 0 378.255 5.338 50 30 GKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c2ccccc21 ZINC000009422317 230872053 /nfs/dbraw/zinc/87/20/53/230872053.db2.gz BDZPPRNGNIUPKV-CIAFOILYSA-N 0 0 389.451 5.229 50 30 GKEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000039866973 230928524 /nfs/dbraw/zinc/92/85/24/230928524.db2.gz RYIGETSTBZTVOU-UHFFFAOYSA-N 0 0 398.849 6.391 50 30 GKEARN O=C1C(=NNc2ccc(Cl)c(Cl)c2)c2ccccc2N1c1ccccc1 ZINC000100327195 231006687 /nfs/dbraw/zinc/00/66/87/231006687.db2.gz JJOPEZGJGBWELB-CLCOLTQESA-N 0 0 382.250 5.488 50 30 GKEARN O=C(/C=C\c1ccc(OCc2cscn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000096991208 231002518 /nfs/dbraw/zinc/00/25/18/231002518.db2.gz BYCWUFAMOORLII-TWGQIWQCSA-N 0 0 389.398 5.637 50 30 GKEARN C[C@H](C#N)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000097656626 231002967 /nfs/dbraw/zinc/00/29/67/231002967.db2.gz VLJTYITVMGWZEF-WIZMWCRPSA-N 0 0 386.426 5.320 50 30 GKEARN Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1C ZINC000101091745 231009569 /nfs/dbraw/zinc/00/95/69/231009569.db2.gz HCHSSUFRUQXYOF-UHFFFAOYSA-N 0 0 393.408 6.499 50 30 GKEARN CC[C@@H](C)c1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1 ZINC000003311405 529429744 /nfs/dbraw/zinc/42/97/44/529429744.db2.gz GUMSICHFTPGDCB-QGZVFWFLSA-N 0 0 384.479 5.588 50 30 GKEARN CCc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000009484925 529584701 /nfs/dbraw/zinc/58/47/01/529584701.db2.gz MXRMGVNDUAHHEA-ZWVOBYKJSA-N 0 0 382.459 5.957 50 30 GKEARN CCc1ccc(OCc2nnc(SCCC#N)n2[C@H](C)c2ccccc2)cc1 ZINC000007985239 529694996 /nfs/dbraw/zinc/69/49/96/529694996.db2.gz RFMANQSECIZJLL-QGZVFWFLSA-N 0 0 392.528 5.035 50 30 GKEARN Cc1ccc(NC(=NC(C)(C)C)C(=NC(C)(C)C)Nc2ccc(C)cc2)cc1 ZINC000018210065 210217724 /nfs/dbraw/zinc/21/77/24/210217724.db2.gz OGUICWOHCUEHOY-UHFFFAOYSA-N 0 0 378.564 5.840 50 30 GKEARN Cc1ccsc1[C@@H]1c2c(C)[nH]nc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018200085 210217250 /nfs/dbraw/zinc/21/72/50/210217250.db2.gz VAZIIDINXXEBRI-KPZWWZAWSA-N 0 0 381.526 5.108 50 30 GKEARN O=C1CCCC2=C1[C@H](c1c(Cl)cccc1Cl)c1cc3c(cc1N2)OCO3 ZINC000018196713 210216909 /nfs/dbraw/zinc/21/69/09/210216909.db2.gz HTVHGQHWECTRCU-SFHVURJKSA-N 0 0 388.250 5.287 50 30 GKEARN Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197792 210216193 /nfs/dbraw/zinc/21/61/93/210216193.db2.gz AQQLIJICJLICLL-ORAYPTAESA-N 0 0 395.915 5.391 50 30 GKEARN Cc1ccc(-c2c(C#N)cnc3c(/N=N\c4ccccc4Cl)c(N)nn32)cc1 ZINC000013147204 210053584 /nfs/dbraw/zinc/05/35/84/210053584.db2.gz LPCOESHABCJBQS-QPLCGJKRSA-N 0 0 387.834 5.227 50 30 GKEARN CCSC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000012860727 210018227 /nfs/dbraw/zinc/01/82/27/210018227.db2.gz FSRHEKWPRNGCBY-STZFKDTASA-N 0 0 384.719 6.260 50 30 GKEARN C[C@H]1CCCC[C@@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC000008887046 209805267 /nfs/dbraw/zinc/80/52/67/209805267.db2.gz IHQPLTRJXYYUOZ-JXFKEZNVSA-N 0 0 389.528 5.255 50 30 GKEARN COc1cccc(CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)c1 ZINC000006887122 209703480 /nfs/dbraw/zinc/70/34/80/209703480.db2.gz PRBDTCBGGSQWDQ-UHFFFAOYSA-N 0 0 390.552 5.722 50 30 GKEARN CN(Cc1ccc(F)cc1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000006881979 209701974 /nfs/dbraw/zinc/70/19/74/209701974.db2.gz SIAMEIBJUBKSAQ-UHFFFAOYSA-N 0 0 376.456 5.121 50 30 GKEARN CSc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000006520212 209654245 /nfs/dbraw/zinc/65/42/45/209654245.db2.gz CZZVMPRTDCFACQ-XDJHFCHBSA-N 0 0 387.529 6.442 50 30 GKEARN CC(C)c1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005862629 209618053 /nfs/dbraw/zinc/61/80/53/209618053.db2.gz NEWJDOMSZYYCAM-INIZCTEOSA-N 0 0 393.339 5.579 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005603777 209604826 /nfs/dbraw/zinc/60/48/26/209604826.db2.gz BKOJHXYGZLYFDK-QHCPKHFHSA-N 0 0 397.522 5.690 50 30 GKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NC2CCCC2)cc1 ZINC000005453510 209595163 /nfs/dbraw/zinc/59/51/63/209595163.db2.gz APXZJNOVWXYSIF-UHFFFAOYSA-N 0 0 394.522 5.921 50 30 GKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccncc1 ZINC000004973568 209553454 /nfs/dbraw/zinc/55/34/54/209553454.db2.gz BUNNUHHJZKHAIH-CRICUBBOSA-N 0 0 397.478 5.070 50 30 GKEARN CN1CCCc2cc(/C=C3\CC/C(=C/c4ccc5c(c4)N(C)CCC5)C3=O)ccc21 ZINC000004762403 209522567 /nfs/dbraw/zinc/52/25/67/209522567.db2.gz FTWFSVCQIBVSFQ-ZNLNQYBNSA-N 0 0 398.550 5.281 50 30 GKEARN Cc1sc(Nc2nc3ccccc3nc2N2CCCCCC2)c(C#N)c1C ZINC000004812716 209528017 /nfs/dbraw/zinc/52/80/17/209528017.db2.gz AJHKKFQTEOECSO-UHFFFAOYSA-N 0 0 377.517 5.304 50 30 GKEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000004684658 209510098 /nfs/dbraw/zinc/51/00/98/209510098.db2.gz UILZJXGIDJOUTH-LJQANCHMSA-N 0 0 384.266 5.365 50 30 GKEARN O=[N+]([O-])c1ccccc1-c1ccc(C=NNc2ccc(Br)cc2)o1 ZINC000004655957 209506236 /nfs/dbraw/zinc/50/62/36/209506236.db2.gz LLRRKRDCONPHEJ-YBFXNURJSA-N 0 0 386.205 5.063 50 30 GKEARN CCN(CC)c1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000004598249 209501258 /nfs/dbraw/zinc/50/12/58/209501258.db2.gz UTRKYZRQYOXOIP-YRNVUSSQSA-N 0 0 381.859 5.189 50 30 GKEARN CCc1c(C#N)c(SCC(=O)OCc2ccccc2)nc2c1CCCCCC2 ZINC000004543795 209493991 /nfs/dbraw/zinc/49/39/91/209493991.db2.gz LQBGSZWYVPWCLA-UHFFFAOYSA-N 0 0 394.540 5.010 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1c[nH]c3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000004168000 209469315 /nfs/dbraw/zinc/46/93/15/209469315.db2.gz JYYPWQUVQAUWPF-XMMPIXPASA-N 0 0 385.511 6.007 50 30 GKEARN CCCOc1ccc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc1 ZINC000004185058 209470781 /nfs/dbraw/zinc/47/07/81/209470781.db2.gz ZEKUWMZXYJAQIG-XMMPIXPASA-N 0 0 398.506 5.897 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1 ZINC000004158527 209469007 /nfs/dbraw/zinc/46/90/07/209469007.db2.gz GJNNEVBDDSLTIL-RMKNXTFCSA-N 0 0 377.654 6.803 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000003883281 209457283 /nfs/dbraw/zinc/45/72/83/209457283.db2.gz VTXYDRYEGXEPOA-QUCCMNQESA-N 0 0 389.278 5.313 50 30 GKEARN CC(C)Nc1nc(SCc2ccccc2Cl)nc(-c2ccccc2)c1C#N ZINC000004042160 209460827 /nfs/dbraw/zinc/46/08/27/209460827.db2.gz DAKXMZZOCFHIEF-UHFFFAOYSA-N 0 0 394.931 5.781 50 30 GKEARN Cn1cc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c2ccccc21 ZINC000002834001 209389798 /nfs/dbraw/zinc/38/97/98/209389798.db2.gz XPJSADGHZTWRQB-YVLHZVERSA-N 0 0 398.940 5.735 50 30 GKEARN N#Cc1c(S[C@H]2CCCCC2=O)nc(-c2cccs2)cc1-c1ccccc1 ZINC000002838297 209389678 /nfs/dbraw/zinc/38/96/78/209389678.db2.gz BKABCGYPEKWRHR-NRFANRHFSA-N 0 0 390.533 5.953 50 30 GKEARN S=C(N/N=C/c1c2ccccc2cc2ccccc21)Nc1cccc(Cl)c1 ZINC000002552737 209369791 /nfs/dbraw/zinc/36/97/91/209369791.db2.gz MGLGWXRHJMTNMP-ZVHZXABRSA-N 0 0 389.911 5.967 50 30 GKEARN Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)cc1 ZINC000002453751 209365220 /nfs/dbraw/zinc/36/52/20/209365220.db2.gz RBFGZAWYFIKGAR-UHFFFAOYSA-N 0 0 382.492 5.407 50 30 GKEARN C[C@@H]1CCc2sc(NC(=O)C(c3ccccc3)c3ccccc3)c(C#N)c2C1 ZINC000002768844 209383928 /nfs/dbraw/zinc/38/39/28/209383928.db2.gz ZMYPCBBRDLGZIG-MRXNPFEDSA-N 0 0 386.520 5.515 50 30 GKEARN Cc1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000002780047 209383414 /nfs/dbraw/zinc/38/34/14/209383414.db2.gz PDTVHNAPHCHNDL-UHFFFAOYSA-N 0 0 383.300 5.341 50 30 GKEARN CC(C)(C)c1csc(-c2ccc(/C=N/OC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000002152987 209348599 /nfs/dbraw/zinc/34/85/99/209348599.db2.gz BPAMCHSNSSGIPD-FSJBWODESA-N 0 0 398.915 5.952 50 30 GKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCC(=O)C1CC1 ZINC000002372243 209360385 /nfs/dbraw/zinc/36/03/85/209360385.db2.gz VXWFYQWVGNJSMJ-UHFFFAOYSA-N 0 0 388.467 5.498 50 30 GKEARN COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000002348593 209359253 /nfs/dbraw/zinc/35/92/53/209359253.db2.gz QUGQQGJLNUUCAY-UHFFFAOYSA-N 0 0 398.491 5.107 50 30 GKEARN CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000002322577 209357523 /nfs/dbraw/zinc/35/75/23/209357523.db2.gz PWVKRDRWQVOXOX-IIGRLWHBSA-N 0 0 391.496 5.067 50 30 GKEARN Cc1ccc2oc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(=O)c2c1 ZINC000002317268 209355880 /nfs/dbraw/zinc/35/58/80/209355880.db2.gz YYIQJYJZNODFIR-UHFFFAOYSA-N 0 0 378.190 5.026 50 30 GKEARN c1ccc(N=C2N(c3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1 ZINC000002289191 209354418 /nfs/dbraw/zinc/35/44/18/209354418.db2.gz KZHSCRQJABAQFQ-UHFFFAOYSA-N 0 0 388.474 6.389 50 30 GKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000002278738 209354224 /nfs/dbraw/zinc/35/42/24/209354224.db2.gz HVNSIXLLFGCHTG-MHZLTWQESA-N 0 0 396.534 6.359 50 30 GKEARN CCCCCCCCn1c2ccccc2nc1/N=C/c1cc(OC)ccc1O ZINC000002270101 209354004 /nfs/dbraw/zinc/35/40/04/209354004.db2.gz LEIFKRFLGYQSRR-JJIBRWJFSA-N 0 0 379.504 5.862 50 30 GKEARN Cc1cccc(CSc2nsc(SCc3cccc(C)c3)c2C#N)c1 ZINC000002240098 209352946 /nfs/dbraw/zinc/35/29/46/209352946.db2.gz QRWWDVIXFUUXCS-UHFFFAOYSA-N 0 0 382.579 6.216 50 30 GKEARN CCCCCCCNC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc21 ZINC000002225624 209350875 /nfs/dbraw/zinc/35/08/75/209350875.db2.gz MMOSNUJBCWBRTO-UHFFFAOYSA-N 0 0 395.551 5.057 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000002200682 209349999 /nfs/dbraw/zinc/34/99/99/209349999.db2.gz DYBGTOGVAYUSGH-QFIPXVFZSA-N 0 0 386.432 5.461 50 30 GKEARN CSc1nc(-c2ccccc2)nc(Nc2ccc(Cl)cc2Cl)c1C#N ZINC000002154331 209348865 /nfs/dbraw/zinc/34/88/65/209348865.db2.gz OYVUHDLNDQHTMK-UHFFFAOYSA-N 0 0 387.295 5.788 50 30 GKEARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CC/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000002143681 209347174 /nfs/dbraw/zinc/34/71/74/209347174.db2.gz YEAIIXWGVOJLAH-UKVBVZPVSA-N 0 0 396.330 6.554 50 30 GKEARN CCSCCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000002056307 209344849 /nfs/dbraw/zinc/34/48/49/209344849.db2.gz VODXYVHHOUHLEE-UHFFFAOYSA-N 0 0 382.579 6.194 50 30 GKEARN CCCCCCCc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000002071702 209344791 /nfs/dbraw/zinc/34/47/91/209344791.db2.gz OLXKAUUUHMQXAX-UHFFFAOYSA-N 0 0 399.332 6.679 50 30 GKEARN Cc1cc2nc(-c3ccc(/N=C/c4c(O)ccc5ccccc54)cc3)oc2c(C)c1 ZINC000001884390 209341867 /nfs/dbraw/zinc/34/18/67/209341867.db2.gz CWWXPTAUOCKNGG-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN CCc1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 ZINC000001894915 209341920 /nfs/dbraw/zinc/34/19/20/209341920.db2.gz VHAZJZRKIFNABB-UHFFFAOYSA-N 0 0 377.340 5.994 50 30 GKEARN Clc1cccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1 ZINC000001885551 209341944 /nfs/dbraw/zinc/34/19/44/209341944.db2.gz CYKKCSJXOUYQSC-CVKSISIWSA-N 0 0 398.849 7.159 50 30 GKEARN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1c(O)ccc2ccccc21 ZINC000001882183 209341497 /nfs/dbraw/zinc/34/14/97/209341497.db2.gz MZKWHEWIHMLBQB-CVKSISIWSA-N 0 0 385.850 6.180 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Cl)c1 ZINC000001408513 209326443 /nfs/dbraw/zinc/32/64/43/209326443.db2.gz CUSOHXPMGYAPBH-UHFFFAOYSA-N 0 0 399.918 5.019 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1O ZINC000001500855 209330818 /nfs/dbraw/zinc/33/08/18/209330818.db2.gz RSEPGYIYEMUCJH-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O ZINC000001509430 209330374 /nfs/dbraw/zinc/33/03/74/209330374.db2.gz FEVGKUSEOUIXDQ-ZMOGYAJESA-N 0 0 392.842 6.003 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(O)ccc2ccccc21 ZINC000001192375 209311783 /nfs/dbraw/zinc/31/17/83/209311783.db2.gz CHOZSSSKKCJHKA-DEOSSOPVSA-N 0 0 384.479 5.767 50 30 GKEARN O=C(/C=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccs1 ZINC000001116813 209302409 /nfs/dbraw/zinc/30/24/09/209302409.db2.gz MGJSPMCRFZGDAO-VBKFSLOCSA-N 0 0 379.868 5.215 50 30 GKEARN N#Cc1cn(CCOc2cccc3ccccc32)c2ccc(Br)cc12 ZINC000001109535 209301100 /nfs/dbraw/zinc/30/11/00/209301100.db2.gz CTZQJYMLDSYGIT-UHFFFAOYSA-N 0 0 391.268 5.508 50 30 GKEARN Cc1oc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C#N)c1C ZINC000001093116 209299343 /nfs/dbraw/zinc/29/93/43/209299343.db2.gz JLHVAEUWKFDXHL-RPPGKUMJSA-N 0 0 387.870 6.175 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccc3ccccc31)c1c(ccc3ncccc31)N2 ZINC000001102633 209299349 /nfs/dbraw/zinc/29/93/49/209299349.db2.gz BAZLOKIYWAXCSH-RUZDIDTESA-N 0 0 376.459 5.953 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000001076896 209297084 /nfs/dbraw/zinc/29/70/84/209297084.db2.gz ZTFPMUGGAUJJRF-BCHFMIIMSA-N 0 0 398.481 6.114 50 30 GKEARN Cc1cccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000001059347 209295780 /nfs/dbraw/zinc/29/57/80/209295780.db2.gz VDKGDFVHPHDGSE-ZLNRFVROSA-N 0 0 395.506 5.012 50 30 GKEARN Cc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2OCc2ccccc2)cc1 ZINC000000987624 209285657 /nfs/dbraw/zinc/28/56/57/209285657.db2.gz SFWZUGZAGUFXGA-VWLOTQADSA-N 0 0 382.463 5.120 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000000980609 209285152 /nfs/dbraw/zinc/28/51/52/209285152.db2.gz UMDBUUZHQLXECJ-UHFFFAOYSA-N 0 0 397.861 5.806 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000000873390 209274097 /nfs/dbraw/zinc/27/40/97/209274097.db2.gz SDNQKJHTVYZODT-NSHDSACASA-N 0 0 399.566 5.085 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000856561 209272666 /nfs/dbraw/zinc/27/26/66/209272666.db2.gz FOIUGCMBJJWIKV-AVRWGWEMSA-N 0 0 384.454 5.805 50 30 GKEARN Cc1ccccc1/N=C1\S[C@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000851684 209272315 /nfs/dbraw/zinc/27/23/15/209272315.db2.gz UMLIEDAAUGOEKV-USGSIFQVSA-N 0 0 393.434 5.671 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3cccs3)sc2C1 ZINC000034903568 209268590 /nfs/dbraw/zinc/26/85/90/209268590.db2.gz JZHARFAGUZBPOZ-GDAGCXPBSA-N 0 0 384.570 5.874 50 30 GKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000000805501 209267835 /nfs/dbraw/zinc/26/78/35/209267835.db2.gz VWVKDISGDOSMLM-JOCHJYFZSA-N 0 0 397.490 5.060 50 30 GKEARN N#Cc1c(SCc2cccnc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000000803841 209267016 /nfs/dbraw/zinc/26/70/16/209267016.db2.gz YZRWPNLHZZTVNC-UHFFFAOYSA-N 0 0 377.416 5.388 50 30 aggregator GKEARN N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000000777996 209263693 /nfs/dbraw/zinc/26/36/93/209263693.db2.gz HJMIVTMVDMDQED-UHFFFAOYSA-N 0 0 394.224 5.332 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000754926 209263795 /nfs/dbraw/zinc/26/37/95/209263795.db2.gz WOSPGTYVLHSBKI-DEOSSOPVSA-N 0 0 398.462 6.058 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1O ZINC000000779715 209263227 /nfs/dbraw/zinc/26/32/27/209263227.db2.gz AWBYALNJZYLTFJ-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000000718061 209262184 /nfs/dbraw/zinc/26/21/84/209262184.db2.gz QPOWVLHAWKZWSG-FPTDNZKUSA-N 0 0 376.481 5.629 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000720482 209262616 /nfs/dbraw/zinc/26/26/16/209262616.db2.gz VWTJBNWEENSQDU-PSLXWICFSA-N 0 0 390.483 5.867 50 30 GKEARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/Cc2ccccc2)S1 ZINC000000721901 209262621 /nfs/dbraw/zinc/26/26/21/209262621.db2.gz RCWHBHZPGXZJLP-ACHDJDMMSA-N 0 0 394.327 5.519 50 30 GKEARN Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2ccccc12 ZINC000000710429 209262143 /nfs/dbraw/zinc/26/21/43/209262143.db2.gz PUNDGLRYCXJHQE-UHFFFAOYSA-N 0 0 393.537 5.086 50 30 GKEARN CCOC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000000705851 209260327 /nfs/dbraw/zinc/26/03/27/209260327.db2.gz VEKSCWJZSAVBIB-UHFFFAOYSA-N 0 0 398.484 5.143 50 30 GKEARN CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CC[C@@H](C)C2 ZINC000000677178 209258097 /nfs/dbraw/zinc/25/80/97/209258097.db2.gz NGHQBVPSTMZGGA-FIKYGGOLSA-N 0 0 393.508 5.659 50 30 GKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000631023 209253318 /nfs/dbraw/zinc/25/33/18/209253318.db2.gz NLALFYFKSFKNJL-IDISGSTGSA-N 0 0 394.518 6.229 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000630999 209252910 /nfs/dbraw/zinc/25/29/10/209252910.db2.gz ZWMXPQJDDQYUEK-CJAUYULYSA-N 0 0 384.454 5.805 50 30 GKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000623276 209251551 /nfs/dbraw/zinc/25/15/51/209251551.db2.gz PWAFNLBCSVUWHK-UHFFFAOYSA-N 0 0 380.484 5.095 50 30 GKEARN C=CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 ZINC000005976043 209233132 /nfs/dbraw/zinc/23/31/32/209233132.db2.gz NRZLDYIKQZETMK-UHFFFAOYSA-N 0 0 399.313 5.405 50 30 GKEARN O=C(/C=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1OC(=O)c1ccco1 ZINC000004279066 209232422 /nfs/dbraw/zinc/23/24/22/209232422.db2.gz FNYWIXVLAHGMNT-WEVVVXLNSA-N 0 0 387.218 5.702 50 30 GKEARN Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(OC(F)F)cc1OC(F)F)CC2 ZINC000006683651 209233190 /nfs/dbraw/zinc/23/31/90/209233190.db2.gz IDMJDUCLKMKEAP-ZROIWOOFSA-N 0 0 394.364 5.719 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000001293541 209226673 /nfs/dbraw/zinc/22/66/73/209226673.db2.gz LGOYQBBPCORYTC-AVRWGWEMSA-N 0 0 397.478 5.070 50 30 biogenic GKEARN CCCCCCCCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000002070148 212263230 /nfs/dbraw/zinc/26/32/30/212263230.db2.gz SRYYNRWAPUSUFU-UHFFFAOYSA-N 0 0 387.376 7.276 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/c4cccc(Cl)c4Cl)ccc3o2)c(C)c1 ZINC000001881352 212259091 /nfs/dbraw/zinc/25/90/91/212259091.db2.gz FBEZZYHTJUDCEJ-BRJLIKDPSA-N 0 0 395.289 7.169 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@H]1CCCCC1=O ZINC000001794182 212257134 /nfs/dbraw/zinc/25/71/34/212257134.db2.gz BXNLBDXZIVDHHX-QHCPKHFHSA-N 0 0 384.504 5.891 50 30 GKEARN COc1cccc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000001505727 212248247 /nfs/dbraw/zinc/24/82/47/212248247.db2.gz ZQLRMZWMJVQEQY-YDZHTSKRSA-N 0 0 380.831 5.057 50 30 GKEARN CCOc1c(OC)cccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000001428692 212244440 /nfs/dbraw/zinc/24/44/40/212244440.db2.gz QCPDUQHPYMRXQM-QFIPXVFZSA-N 0 0 392.499 5.316 50 30 GKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2cccc(F)c2)C1C(=O)c1ccccc1 ZINC000001427850 212243033 /nfs/dbraw/zinc/24/30/33/212243033.db2.gz OVBHDIVYNCLQEK-QFIPXVFZSA-N 0 0 383.426 5.347 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Oc1ccc2ccccc2c1 ZINC000001389557 212241483 /nfs/dbraw/zinc/24/14/83/212241483.db2.gz UMWHFOKDAFSYDG-UHFFFAOYSA-N 0 0 390.364 6.585 50 30 GKEARN O=C1/C(=N\OCc2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1 ZINC000001387566 212241288 /nfs/dbraw/zinc/24/12/88/212241288.db2.gz SOZKQKNLUJUHAG-QOMWVZHYSA-N 0 0 396.368 5.305 50 30 GKEARN COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl ZINC000001268442 212233936 /nfs/dbraw/zinc/23/39/36/212233936.db2.gz KUSGFMZHQMIVJT-VIFPVBQESA-N 0 0 395.311 5.312 50 30 GKEARN Cc1ccc2nc(N=NCc3ccc4ncccc4c3)nc(-c3ccccc3)c2c1 ZINC000001242172 212232951 /nfs/dbraw/zinc/23/29/51/212232951.db2.gz OLHRMYQHRHAAHK-JVWAILMASA-N 0 0 389.462 5.021 50 30 GKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccc(Cl)cc1Cl ZINC000001207233 212230001 /nfs/dbraw/zinc/23/00/01/212230001.db2.gz NAFRVISDOITKLL-UFFVCSGVSA-N 0 0 376.312 6.235 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000001200942 212228640 /nfs/dbraw/zinc/22/86/40/212228640.db2.gz PEPSEVDUFXEJBW-SECBINFHSA-N 0 0 380.300 5.695 50 30 GKEARN O=C(c1ccco1)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001103124 212216834 /nfs/dbraw/zinc/21/68/34/212216834.db2.gz YIJRSDWBIRIQQS-PDGQHHTCSA-N 0 0 381.840 5.410 50 30 aggregator GKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001079921 212214836 /nfs/dbraw/zinc/21/48/36/212214836.db2.gz BNQZKWVYYGOLQV-QGZVFWFLSA-N 0 0 385.385 5.233 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 ZINC000001076905 212214722 /nfs/dbraw/zinc/21/47/22/212214722.db2.gz WJALYJZEKZQZGL-NIYFSFCBSA-N 0 0 398.481 6.114 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@@H]1CCCCC1=O ZINC000001064773 212212153 /nfs/dbraw/zinc/21/21/53/212212153.db2.gz UTWVPFCMPGNRJZ-NSHDSACASA-N 0 0 396.459 5.552 50 30 GKEARN COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1 ZINC000001057295 212210819 /nfs/dbraw/zinc/21/08/19/212210819.db2.gz UDTYZECZLUQOOP-DHRITJCHSA-N 0 0 387.357 5.963 50 30 GKEARN C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)c2ccc(Cl)cc2)C1(C)C ZINC000001024847 212206104 /nfs/dbraw/zinc/20/61/04/212206104.db2.gz IXDHGFGXTBGHBG-QOCHGBHMSA-N 0 0 386.904 5.518 50 30 GKEARN C[C@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3Cl)c(C#N)c2C1 ZINC000000998701 212203830 /nfs/dbraw/zinc/20/38/30/212203830.db2.gz QDKKLDZPRHRQHR-JTQLQIEISA-N 0 0 395.311 5.069 50 30 GKEARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1c(O)ccc2ccccc21 ZINC000000989565 212202365 /nfs/dbraw/zinc/20/23/65/212202365.db2.gz WTWJVCQICKFNNM-CVKSISIWSA-N 0 0 377.447 6.148 50 30 GKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1cccc2ccccc21 ZINC000000970620 212201199 /nfs/dbraw/zinc/20/11/99/212201199.db2.gz RMVSXLTVPXTOTM-MHZLTWQESA-N 0 0 375.471 6.666 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000000842999 212188835 /nfs/dbraw/zinc/18/88/35/212188835.db2.gz MWUKFNSGWRPWGJ-ZDLGFXPLSA-N 0 0 383.812 5.838 50 30 GKEARN CCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000780199 212181205 /nfs/dbraw/zinc/18/12/05/212181205.db2.gz HBQVASLTZCNXJY-XMMPIXPASA-N 0 0 390.527 5.924 50 30 GKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1O ZINC000000833242 212186940 /nfs/dbraw/zinc/18/69/40/212186940.db2.gz IQDQTMDENMTDBV-VWLOTQADSA-N 0 0 385.463 5.618 50 30 GKEARN N#Cc1ccccc1CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000000817983 212185577 /nfs/dbraw/zinc/18/55/77/212185577.db2.gz OFMBNGCQNVPUJU-UHFFFAOYSA-N 0 0 395.409 5.803 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)cc1)OCO3 ZINC000000816103 212185598 /nfs/dbraw/zinc/18/55/98/212185598.db2.gz PWIFEWLCUISRPA-HXUWFJFHSA-N 0 0 381.859 5.269 50 30 GKEARN CCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@H](c2ccccc2)CC1=O ZINC000000721594 212177720 /nfs/dbraw/zinc/17/77/20/212177720.db2.gz ZSKGYVWJEFWBIQ-NRFANRHFSA-N 0 0 383.491 6.022 50 30 GKEARN COc1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000727156 212177549 /nfs/dbraw/zinc/17/75/49/212177549.db2.gz WFXURIQNKPWBCE-VWLOTQADSA-N 0 0 383.491 6.158 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Cl ZINC000000659179 212170754 /nfs/dbraw/zinc/17/07/54/212170754.db2.gz HXQWSPXXQBINLN-UHFFFAOYSA-N 0 0 383.919 5.313 50 30 GKEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)s1)c1c(Cl)cccc1Cl ZINC000000637554 212166729 /nfs/dbraw/zinc/16/67/29/212166729.db2.gz YTTANKTZJAJSFV-SNVBAGLBSA-N 0 0 383.687 5.728 50 30 GKEARN O=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)cc3)o1)C1=C(CCCC1=O)N2 ZINC000000637004 212166650 /nfs/dbraw/zinc/16/66/50/212166650.db2.gz ZXZIWOOYGBDLNE-UHFFFAOYSA-N 0 0 393.870 5.301 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2ccc(Br)c(Cl)c2)c(O)c1 ZINC000000647446 212169996 /nfs/dbraw/zinc/16/99/96/212169996.db2.gz NJOUARIADKLPQL-RGVLZGJSSA-N 0 0 381.701 5.405 50 30 GKEARN CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000857632 212142107 /nfs/dbraw/zinc/14/21/07/212142107.db2.gz XMOWFUQHXLAFTR-HSZRJFAPSA-N 0 0 376.500 5.696 50 30 biogenic GKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000002053217 212102083 /nfs/dbraw/zinc/10/20/83/212102083.db2.gz YAUYCPRAZZEAFT-DHDCSXOGSA-N 0 0 396.320 5.641 50 30 GKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 ZINC000002233597 212102114 /nfs/dbraw/zinc/10/21/14/212102114.db2.gz TYSFIYJWQDXHHA-UHFFFAOYSA-N 0 0 391.521 5.321 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000001830522 212101251 /nfs/dbraw/zinc/10/12/51/212101251.db2.gz FPBBZTAUYQRUEW-UYRXBGFRSA-N 0 0 381.522 5.274 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(SCC(=C)C)n1)CC(C)(C)OC3 ZINC000000752722 212099179 /nfs/dbraw/zinc/09/91/79/212099179.db2.gz CRPVCZXUSOAMPN-UHFFFAOYSA-N 0 0 392.615 5.879 50 30 GKEARN C=CCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1Br ZINC000008393608 212096678 /nfs/dbraw/zinc/09/66/78/212096678.db2.gz DLIDPIYDKHKTEI-RIYZIHGNSA-N 0 0 390.664 5.160 50 30 GKEARN C=C(C)CSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000009698134 212096764 /nfs/dbraw/zinc/09/67/64/212096764.db2.gz UXUIPHUVIBEZPA-QHCPKHFHSA-N 0 0 380.557 5.499 50 30 GKEARN C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000004739560 212079587 /nfs/dbraw/zinc/07/95/87/212079587.db2.gz FTSHXRVYOXDJDD-RUZDIDTESA-N 0 0 394.474 5.575 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@@H]5O[C@@H]5CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257356105 212029764 /nfs/dbraw/zinc/02/97/64/212029764.db2.gz FVUXRLSHCHFWTB-SOTRSXDLSA-N 0 0 386.664 7.485 50 30 GKEARN C=CCOc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000014202429 203777317 /nfs/dbraw/zinc/77/73/17/203777317.db2.gz BPMJDLJGYDOFFP-FMIVXFBMSA-N 0 0 379.481 5.148 50 30 GKEARN C=C(C)Cc1c(C)nc(-c2ccc(Cl)cc2)nc1OC(=S)N(CC)CC ZINC000001044783 203778256 /nfs/dbraw/zinc/77/82/56/203778256.db2.gz COXZZFQOQHYPMF-UHFFFAOYSA-N 0 0 389.952 5.230 50 30 GKEARN C=CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OC ZINC000002093571 203778882 /nfs/dbraw/zinc/77/88/82/203778882.db2.gz LRMGPGIXYMCVAM-UHFFFAOYSA-N 0 0 396.712 5.596 50 30 GKEARN C=CCc1cccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc21 ZINC000002281638 203779173 /nfs/dbraw/zinc/77/91/73/203779173.db2.gz GVUBKHGKVWCJPK-UHFFFAOYSA-N 0 0 397.430 5.566 50 30 GKEARN C[C@@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 ZINC000000663880 203846279 /nfs/dbraw/zinc/84/62/79/203846279.db2.gz BGMWHPVMSKBVNT-LLVKDONJSA-N 0 0 380.410 5.528 50 30 GKEARN C=C1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@@]3(C)[C@H]12 ZINC000257347971 203819864 /nfs/dbraw/zinc/81/98/64/203819864.db2.gz ACOZANUSWBYJDV-ZHFWYNQKSA-N 0 0 388.548 5.059 50 30 GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005789414 203824873 /nfs/dbraw/zinc/82/48/73/203824873.db2.gz DCSBDZCBGZDFNZ-XYGWBWBKSA-N 0 0 382.459 6.315 50 30 biogenic GKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000000708552 203849280 /nfs/dbraw/zinc/84/92/80/203849280.db2.gz LHXPQLNFYQHLEE-VWLOTQADSA-N 0 0 397.474 5.878 50 30 GKEARN COc1ccccc1[C@@H]1Nc2cc3ccccc3cc2C2=C1C(=O)CC(C)(C)C2 ZINC000000712124 203849531 /nfs/dbraw/zinc/84/95/31/203849531.db2.gz OTBHAVOXEOOLLV-VWLOTQADSA-N 0 0 383.491 6.158 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000000718058 203850706 /nfs/dbraw/zinc/85/07/06/203850706.db2.gz QPOWVLHAWKZWSG-PEBXRYMYSA-N 0 0 376.481 5.629 50 30 GKEARN COc1ccc([C@H](c2c(C)[nH]c3ccccc32)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000000956914 203868213 /nfs/dbraw/zinc/86/82/13/203868213.db2.gz NZEIPPPVSWTQNG-HSZRJFAPSA-N 0 0 389.495 5.818 50 30 GKEARN Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C1/CCCc2c3cc(C)ccc3[nH]c21 ZINC000000977869 203868971 /nfs/dbraw/zinc/86/89/71/203868971.db2.gz HMRMFAQIVXFZGW-HCTXVGCHSA-N 0 0 394.522 6.132 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1F ZINC000001079583 203880596 /nfs/dbraw/zinc/88/05/96/203880596.db2.gz WSDXCNRUCZNBFZ-OAHLLOKOSA-N 0 0 387.813 5.146 50 30 GKEARN N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000001098845 203883935 /nfs/dbraw/zinc/88/39/35/203883935.db2.gz GWMRDKOESVNLNP-UHFFFAOYSA-N 0 0 393.240 5.365 50 30 GKEARN C(=N/c1cccc2ccccc21)\c1ccc(Sc2nnnn2-c2ccccc2)o1 ZINC000001433968 203908797 /nfs/dbraw/zinc/90/87/97/203908797.db2.gz RYLUOBRVRWSCHD-HZHRSRAPSA-N 0 0 397.463 5.310 50 30 GKEARN O=C1c2ccccc2C(Cl)=C(Cl)C1=C(c1ccccc1)c1ccccc1 ZINC000001782859 203920240 /nfs/dbraw/zinc/92/02/40/203920240.db2.gz MOCGBMCWIYIWHB-UHFFFAOYSA-N 0 0 377.270 6.531 50 30 GKEARN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccccc1Cl ZINC000002187654 203930337 /nfs/dbraw/zinc/93/03/37/203930337.db2.gz MOSBRXAKZPKVPW-NMWGTECJSA-N 0 0 383.948 6.230 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000002266378 203933875 /nfs/dbraw/zinc/93/38/75/203933875.db2.gz YFOFRESAOAIJBL-VULFUBBASA-N 0 0 382.385 6.464 50 30 GKEARN N#Cc1c(SCc2ccc(F)cc2)nc2c(c1-c1cccs1)CCCC2 ZINC000002259037 203934030 /nfs/dbraw/zinc/93/40/30/203934030.db2.gz FJAGVGBQBVTRAB-UHFFFAOYSA-N 0 0 380.513 5.992 50 30 GKEARN O=C(Nc1ccc(Cl)c(Cl)c1)ON=C(c1ccccc1)c1ccccc1 ZINC000002900828 203972481 /nfs/dbraw/zinc/97/24/81/203972481.db2.gz CZJAZQQLPKPGPO-UHFFFAOYSA-N 0 0 385.250 5.995 50 30 GKEARN N#Cc1cc(-c2cccc(Cl)c2)cn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003133091 203988044 /nfs/dbraw/zinc/98/80/44/203988044.db2.gz UXTOZNURXVVHAK-UHFFFAOYSA-N 0 0 389.669 5.395 50 30 GKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000003140407 203988070 /nfs/dbraw/zinc/98/80/70/203988070.db2.gz ICVSHPGONGPLCY-DHRITJCHSA-N 0 0 394.257 6.517 50 30 GKEARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SCC#N)c(C)c1 ZINC000003345564 204000222 /nfs/dbraw/zinc/00/02/22/204000222.db2.gz LYRWKCYKXGTNJN-UHFFFAOYSA-N 0 0 384.508 5.244 50 30 GKEARN CCN(CC)c1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)cc1 ZINC000003876900 204021470 /nfs/dbraw/zinc/02/14/70/204021470.db2.gz PTMROWAVFRKDFR-UHFFFAOYSA-N 0 0 395.510 5.438 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000003883280 204021686 /nfs/dbraw/zinc/02/16/86/204021686.db2.gz VTXYDRYEGXEPOA-UYAOXDASSA-N 0 0 389.278 5.313 50 30 GKEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000004031686 204023544 /nfs/dbraw/zinc/02/35/44/204023544.db2.gz QDPDSZPBRKRRBW-UHFFFAOYSA-N 0 0 381.460 5.601 50 30 GKEARN N#Cc1c(Sc2ccccc2)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000004052737 204024684 /nfs/dbraw/zinc/02/46/84/204024684.db2.gz FARIEHMQZOFAJC-UHFFFAOYSA-N 0 0 390.817 6.444 50 30 GKEARN N#Cc1c(-c2ccc(F)cc2)ccnc1Sc1ccc(Br)cc1 ZINC000004054065 204025160 /nfs/dbraw/zinc/02/51/60/204025160.db2.gz HXUROZCZHWHGQC-UHFFFAOYSA-N 0 0 385.261 5.673 50 30 GKEARN CN(C)c1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004044550 204025331 /nfs/dbraw/zinc/02/53/31/204025331.db2.gz HABHIONEEBQZDM-DEOSSOPVSA-N 0 0 396.534 6.106 50 30 GKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(NN=Cc3ccccc3)nc2n1 ZINC000004052695 204025509 /nfs/dbraw/zinc/02/55/09/204025509.db2.gz RYZSCNXGVLAKSA-PGGKNCGUSA-N 0 0 384.283 5.113 50 30 GKEARN C/C(=N\OC(=O)c1ccc(F)cc1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000004085472 204026179 /nfs/dbraw/zinc/02/61/79/204026179.db2.gz IAQYZTHTHVIENO-FSJBWODESA-N 0 0 388.851 5.492 50 30 GKEARN COc1ccc(Cl)c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000004181438 204031404 /nfs/dbraw/zinc/03/14/04/204031404.db2.gz SUCZAIGOKWWMIA-BHGWPJFGSA-N 0 0 396.805 5.752 50 30 GKEARN O=C1ON(c2ccccc2)[C@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000004694905 204065496 /nfs/dbraw/zinc/06/54/96/204065496.db2.gz GBRGAIAOKHSEGI-LJQANCHMSA-N 0 0 395.256 5.526 50 30 GKEARN Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@@]2(C)C(=O)c2ccccc2)c1 ZINC000004751699 204072878 /nfs/dbraw/zinc/07/28/78/204072878.db2.gz ACLHWTNOKIPEGY-RZFJZAQRSA-N 0 0 394.474 5.130 50 30 GKEARN O=C(/C(=C\c1cccc2ccccc12)c1nc2ccccc2o1)c1ccccc1 ZINC000004747028 204073204 /nfs/dbraw/zinc/07/32/04/204073204.db2.gz YOPUPRQGLKUWKF-OQKWZONESA-N 0 0 375.427 6.405 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000004809607 204077081 /nfs/dbraw/zinc/07/70/81/204077081.db2.gz FNYGJENOJHPYQU-ASSNKEHSSA-N 0 0 387.464 5.107 50 30 GKEARN CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(O)cc1)C(C)(C)CCC2(C)C ZINC000004812678 204077779 /nfs/dbraw/zinc/07/77/79/204077779.db2.gz ADNWREQLLKFANP-CTVDDJEBSA-N 0 0 376.544 6.147 50 30 GKEARN CN(C)c1ccc(/C=C2/CCC/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000004817253 204077798 /nfs/dbraw/zinc/07/77/98/204077798.db2.gz JUBUUDXICXVQNA-FEUFJANWSA-N 0 0 386.322 6.279 50 30 GKEARN CCc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000004826618 204079593 /nfs/dbraw/zinc/07/95/93/204079593.db2.gz MRIZSTLVRHLDLB-MUPYBJATSA-N 0 0 386.579 7.304 50 30 GKEARN COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(Br)cc1)c(C)n2C ZINC000004869747 204084956 /nfs/dbraw/zinc/08/49/56/204084956.db2.gz ZGVMQGHJNUECDU-PKNBQFBNSA-N 0 0 384.273 5.154 50 30 GKEARN O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000004405353 204044281 /nfs/dbraw/zinc/04/42/81/204044281.db2.gz MCRWLVGKASSDJF-SSDVNMTOSA-N 0 0 393.786 5.513 50 30 GKEARN CCCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004459797 204045347 /nfs/dbraw/zinc/04/53/47/204045347.db2.gz QXGRKERNDASTRM-DEOSSOPVSA-N 0 0 390.527 6.087 50 30 GKEARN COc1ccccc1/C=C/C=C1\CCC/C(=C\C=C\c2ccccc2OC)C1=O ZINC000004531642 204050829 /nfs/dbraw/zinc/05/08/29/204050829.db2.gz JGQOORHAXOALMY-YLOHAOKXSA-N 0 0 386.491 6.036 50 30 GKEARN COc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000004674074 204061710 /nfs/dbraw/zinc/06/17/10/204061710.db2.gz YBFKCMDDPCXARH-UHFFFAOYSA-N 0 0 377.447 6.039 50 30 GKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 ZINC000004675098 204062323 /nfs/dbraw/zinc/06/23/23/204062323.db2.gz SORVHFUDKWICPO-UHFFFAOYSA-N 0 0 388.902 6.407 50 30 GKEARN N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004690320 204064162 /nfs/dbraw/zinc/06/41/62/204064162.db2.gz YUZWDWMLNKUICX-FCEWJHQRSA-N 0 0 399.263 5.317 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000005092451 204111500 /nfs/dbraw/zinc/11/15/00/204111500.db2.gz WWAVCBOISREDOL-IQGLISFBSA-N 0 0 382.463 5.372 50 30 GKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(Cl)c1Cl ZINC000005201304 204118916 /nfs/dbraw/zinc/11/89/16/204118916.db2.gz DQDSGENVZVTPRQ-MDWZMJQESA-N 0 0 383.687 5.538 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC(C)C)c1Cc1ccc(Cl)cc1 ZINC000005248778 204122369 /nfs/dbraw/zinc/12/23/69/204122369.db2.gz GUUDFRZXQPNAOY-UHFFFAOYSA-N 0 0 388.902 5.732 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000005059173 204108072 /nfs/dbraw/zinc/10/80/72/204108072.db2.gz WMEHTCWPJURYQK-FQEVSTJZSA-N 0 0 397.902 5.499 50 30 GKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(-c2ccccc2)cc1 ZINC000006196178 204169954 /nfs/dbraw/zinc/16/99/54/204169954.db2.gz NVCPOGQGNIKLSN-OEAKJJBVSA-N 0 0 390.899 5.436 50 30 GKEARN CC1(C)C[C@@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccc(Cl)cc1 ZINC000005862208 204153770 /nfs/dbraw/zinc/15/37/70/204153770.db2.gz SAVRXNNGRUCLAL-NRFANRHFSA-N 0 0 399.947 5.093 50 30 GKEARN CC(C)c1ccc(/N=C2\NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005862637 204154163 /nfs/dbraw/zinc/15/41/63/204154163.db2.gz YSLAIIWUSDLCIJ-QGZVFWFLSA-N 0 0 393.339 5.579 50 30 GKEARN O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2s1)c1ccccc1 ZINC000005899501 204155243 /nfs/dbraw/zinc/15/52/43/204155243.db2.gz FEDKJWGYOBXEOT-XMHGGMMESA-N 0 0 380.472 6.201 50 30 GKEARN Fc1ccccc1Cn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000005456849 204133244 /nfs/dbraw/zinc/13/32/44/204133244.db2.gz HGVYPOOHLXWFST-DHRITJCHSA-N 0 0 383.430 5.151 50 30 GKEARN C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000005494476 204136122 /nfs/dbraw/zinc/13/61/22/204136122.db2.gz LSGMYUXMWNOLQH-LGUFXXKBSA-N 0 0 389.930 5.553 50 30 GKEARN O=C1c2ccccc2C/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000005590046 204141170 /nfs/dbraw/zinc/14/11/70/204141170.db2.gz XFPMEXRSUKYZHA-WJDWOHSUSA-N 0 0 381.353 5.715 50 30 GKEARN CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 ZINC000005574094 204141347 /nfs/dbraw/zinc/14/13/47/204141347.db2.gz FJYIDEPKHULQFG-QBFSEMIESA-N 0 0 380.563 6.342 50 30 GKEARN CCOc1ccc(/C=C/c2nc(C#N)c(Nc3ccc(OCC)cc3)o2)cc1 ZINC000006870298 204217009 /nfs/dbraw/zinc/21/70/09/204217009.db2.gz YASFBXZCDRRROM-VGOFMYFVSA-N 0 0 375.428 5.258 50 30 GKEARN N#CC1(c2ccccc2)C/C(=C\c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 ZINC000006432865 204178581 /nfs/dbraw/zinc/17/85/81/204178581.db2.gz BFNAXOJGNSTFOI-ROUMAOROSA-N 0 0 387.529 6.101 50 30 GKEARN N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000006509859 204181489 /nfs/dbraw/zinc/18/14/89/204181489.db2.gz KYWLNSAHDNVCQW-ZSOIEALJSA-N 0 0 395.896 5.322 50 30 GKEARN COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000006581614 204184881 /nfs/dbraw/zinc/18/48/81/204184881.db2.gz QZEBEFHPJVCIBA-SYZQJQIISA-N 0 0 393.280 6.021 50 30 GKEARN N#Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)cc1 ZINC000008244117 204267784 /nfs/dbraw/zinc/26/77/84/204267784.db2.gz NVLPHUPGXUVUBS-UHFFFAOYSA-N 0 0 387.366 5.175 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC2CCC(C3CCCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000009088488 204298712 /nfs/dbraw/zinc/29/87/12/204298712.db2.gz NZTTWUXTIQXOHF-UHFFFAOYSA-N 0 0 388.468 5.822 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2C[C@H](C)C[C@H](C)C2)c1CCC(C)C ZINC000013284491 204485330 /nfs/dbraw/zinc/48/53/30/204485330.db2.gz PZWQIBGAZCNSMO-HDICACEKSA-N 0 0 388.559 5.739 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000002302104 209171046 /nfs/dbraw/zinc/17/10/46/209171046.db2.gz UYQLDZZEWSIYJA-AWEZNQCLSA-N 0 0 382.554 5.474 50 30 GKEARN C=CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002470421 209171106 /nfs/dbraw/zinc/17/11/06/209171106.db2.gz RXCVVXPBOOEDGK-QHCPKHFHSA-N 0 0 397.478 5.410 50 30 GKEARN C=CCOc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000002470426 209171121 /nfs/dbraw/zinc/17/11/21/209171121.db2.gz KIEUZMGIGVLZNF-QFIPXVFZSA-N 0 0 383.451 5.102 50 30 GKEARN C=C(C)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002294150 209168073 /nfs/dbraw/zinc/16/80/73/209168073.db2.gz IKCIPKPXNBAAHN-UHFFFAOYSA-N 0 0 399.585 5.882 50 30 GKEARN COc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccccc1 ZINC000015906390 204584522 /nfs/dbraw/zinc/58/45/22/204584522.db2.gz PBUZVQBEQOMROD-NRFANRHFSA-N 0 0 398.384 5.171 50 30 GKEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccc3ccccc3c2)C1=O ZINC000015946399 204585583 /nfs/dbraw/zinc/58/55/83/204585583.db2.gz BPHMYIZLDUZLNP-RGEXLXHISA-N 0 0 397.430 5.139 50 30 GKEARN CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N ZINC000033026989 204941418 /nfs/dbraw/zinc/94/14/18/204941418.db2.gz NGKDVHUMPUDIEL-OAHLLOKOSA-N 0 0 387.439 5.749 50 30 GKEARN CCc1cc(Oc2ccc(C(C)=O)cc2)nc(SCc2cccc(C#N)c2)n1 ZINC000037510346 205027173 /nfs/dbraw/zinc/02/71/73/205027173.db2.gz QITRZRKNHDJNTL-UHFFFAOYSA-N 0 0 389.480 5.198 50 30 GKEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000006728495 209143374 /nfs/dbraw/zinc/14/33/74/209143374.db2.gz ZZRZVSSMJLGXML-HSZRJFAPSA-N 0 0 380.557 5.499 50 30 GKEARN C=CC[NH+](CC=C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005129927 209139344 /nfs/dbraw/zinc/13/93/44/209139344.db2.gz BQSMDOYYINIQJM-KRWDZBQOSA-N 0 0 389.326 5.136 50 30 GKEARN CCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@H]1C#Cc1ccccc1 ZINC000004043712 209137958 /nfs/dbraw/zinc/13/79/58/209137958.db2.gz HUARWLYNUUIUIX-MUUNZHRXSA-N 0 0 386.498 6.036 50 30 GKEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)SC1=S ZINC000004704726 209137418 /nfs/dbraw/zinc/13/74/18/209137418.db2.gz MJXKAOGAMNXISU-UYRXBGFRSA-N 0 0 382.554 5.044 50 30 GKEARN C=C1[C@@H](C(=O)Nc2cccc3ccccc32)[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000003177708 205180805 /nfs/dbraw/zinc/18/08/05/205180805.db2.gz NRVBVXXCCOBZLH-DNQXCXABSA-N 0 0 392.458 5.372 50 30 GKEARN CC(C)(C)c1ccc(-c2noc(-c3cncc(C#Cc4ccccc4)c3)n2)cc1 ZINC000003127644 205189858 /nfs/dbraw/zinc/18/98/58/205189858.db2.gz ICYSOHSWBFJRTQ-UHFFFAOYSA-N 0 0 379.463 5.496 50 30 GKEARN N#Cc1ccccc1-c1ccc(-c2c(-c3ccccc3)ncn2[C@@H]2CCOC2)o1 ZINC000065526192 205236589 /nfs/dbraw/zinc/23/65/89/205236589.db2.gz JVBJRCVUXHNXKG-LJQANCHMSA-N 0 0 381.435 5.310 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C)CC3 ZINC000001269098 205706066 /nfs/dbraw/zinc/70/60/66/205706066.db2.gz SVKGDDRLWYATID-HNNXBMFYSA-N 0 0 396.581 5.299 50 30 GKEARN CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000004026947 205730700 /nfs/dbraw/zinc/73/07/00/205730700.db2.gz NQRNQFVQINDGPA-JCNHITLNSA-N 0 0 387.608 7.231 50 30 biogenic GKEARN COc1ccccc1/C=C/C(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1 ZINC000004903636 205756490 /nfs/dbraw/zinc/75/64/90/205756490.db2.gz ZDFHHRGEQJKFII-JQIJEIRASA-N 0 0 393.486 6.423 50 30 GKEARN C[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000007202057 205782480 /nfs/dbraw/zinc/78/24/80/205782480.db2.gz RAQZIWOOUIVYCP-GFCCVEGCSA-N 0 0 395.359 6.009 50 30 GKEARN Cc1ccc(S(=O)(=O)OC2=C(c3ccc4ccccc4n3)CCCC2)cc1 ZINC000007089614 205785732 /nfs/dbraw/zinc/78/57/32/205785732.db2.gz VCBYXYROAZHETQ-UHFFFAOYSA-N 0 0 379.481 5.234 50 30 GKEARN C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O ZINC000008764922 205799229 /nfs/dbraw/zinc/79/92/29/205799229.db2.gz HPGPYLPDGQHDSR-AUEPDCJTSA-N 0 0 389.451 5.241 50 30 biogenic GKEARN Cc1ccc(-c2nc(C#N)c(N(Cc3ccco3)Cc3ccc(F)cc3)o2)cc1 ZINC000170623744 205856626 /nfs/dbraw/zinc/85/66/26/205856626.db2.gz QQFPXNSCGVLRQS-UHFFFAOYSA-N 0 0 387.414 5.461 50 30 GKEARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000245189265 206133272 /nfs/dbraw/zinc/13/32/72/206133272.db2.gz IPGHZWGLMSBNAV-XUTJKUGGSA-N 0 0 375.512 6.632 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257357502 206182542 /nfs/dbraw/zinc/18/25/42/206182542.db2.gz OJFSRAVBTAGBIM-WBVNRPNFSA-N 0 0 386.664 7.629 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000004629876 206227224 /nfs/dbraw/zinc/22/72/24/206227224.db2.gz MECHNRXZTMCUDQ-RKHKHRCZSA-N 0 0 396.659 7.641 50 30 endogenous,fda GKEARN C=CCNC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000005051288 206228351 /nfs/dbraw/zinc/22/83/51/206228351.db2.gz FTMAEFVWNUSABB-UHFFFAOYSA-N 0 0 394.503 5.562 50 30 GKEARN C=CCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccccc1 ZINC000004883178 206228420 /nfs/dbraw/zinc/22/84/20/206228420.db2.gz ZZBLTZFMSGPKGC-HMMYKYKNSA-N 0 0 378.497 5.137 50 30 GKEARN C=CCc1ccccc1O[C@@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21 ZINC000004889234 206228511 /nfs/dbraw/zinc/22/85/11/206228511.db2.gz GCADAPRAXPZPPA-QHCPKHFHSA-N 0 0 376.839 5.519 50 30 GKEARN CCCCCOc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000006709906 206220241 /nfs/dbraw/zinc/22/02/41/206220241.db2.gz GMGGJTHEVJRLIS-UHFFFAOYSA-N 0 0 387.277 5.091 50 30 GKEARN C(#Cc1ccccc1)/C=C/c1ccc2ccc(/C=C\C#Cc3ccccc3)cc2c1 ZINC000008384066 206244207 /nfs/dbraw/zinc/24/42/07/206244207.db2.gz GXZWAXJSYFPMBD-BUOZRGFLSA-N 0 0 380.490 6.970 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C ZINC000005294783 206229529 /nfs/dbraw/zinc/22/95/29/206229529.db2.gz MECHNRXZTMCUDQ-VWMDTXJCSA-N 0 0 396.659 7.641 50 30 GKEARN C=CCc1cccc(C(C)C)c1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000170608948 206258426 /nfs/dbraw/zinc/25/84/26/206258426.db2.gz XTYVHBWTCNUMSP-UHFFFAOYSA-N 0 0 394.902 6.028 50 30 GKEARN C=CCn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001747173 206248227 /nfs/dbraw/zinc/24/82/27/206248227.db2.gz HRNBQGFNDQKUED-UHFFFAOYSA-N 0 0 380.557 5.355 50 30 biogenic GKEARN C=CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001777083 206248752 /nfs/dbraw/zinc/24/87/52/206248752.db2.gz JUXSRVAXXJETFR-UHFFFAOYSA-N 0 0 388.375 5.440 50 30 GKEARN C=CCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002272676 206249742 /nfs/dbraw/zinc/24/97/42/206249742.db2.gz KOIPKFQXIQRZEO-UHFFFAOYSA-N 0 0 394.584 5.602 50 30 GKEARN C=C(C)Cn1c(SC(C)C)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002359304 206250519 /nfs/dbraw/zinc/25/05/19/206250519.db2.gz ISLUYCSSPGRAFC-UHFFFAOYSA-N 0 0 382.554 5.300 50 30 GKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004899219 211550826 /nfs/dbraw/zinc/55/08/26/211550826.db2.gz NGSNJSSGLRAOBF-IQZBWDKASA-N 0 0 379.529 5.019 50 30 GKEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000004888982 211554672 /nfs/dbraw/zinc/55/46/72/211554672.db2.gz IRFCVDGQBCNITL-USZBFOJCSA-N 0 0 397.519 5.077 50 30 GKEARN CC1=CC[C@@H]2C(C)(C)/C(=N\O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000004025760 211528095 /nfs/dbraw/zinc/52/80/95/211528095.db2.gz QYLWHDVJPCDLGF-ZXEAHFKMSA-N 0 0 395.499 5.411 50 30 biogenic GKEARN CCCCCCCCc1nnc(NC(=O)c2ccc(Br)cc2)s1 ZINC000002842685 211517819 /nfs/dbraw/zinc/51/78/19/211517819.db2.gz XNNYMQVGBSHEEU-UHFFFAOYSA-N 0 0 396.354 5.456 50 30 GKEARN C=C(C)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)cc1)c2=O ZINC000002415700 206291902 /nfs/dbraw/zinc/29/19/02/206291902.db2.gz TUTLVSXUPDVHTO-UHFFFAOYSA-N 0 0 390.357 5.442 50 30 biogenic GKEARN C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000005427255 206293680 /nfs/dbraw/zinc/29/36/80/206293680.db2.gz IRKUSWLOHBYRBT-UHFFFAOYSA-N 0 0 375.346 5.688 50 30 GKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000630823 206308989 /nfs/dbraw/zinc/30/89/89/206308989.db2.gz FKEJPUCYCPOZMU-NIYFSFCBSA-N 0 0 396.490 5.675 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000000636692 206311010 /nfs/dbraw/zinc/31/10/10/206311010.db2.gz AJFMWZYZWYMWOR-UHFFFAOYSA-N 0 0 375.855 5.519 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c12 ZINC000000647108 206312156 /nfs/dbraw/zinc/31/21/56/206312156.db2.gz TZEJTZZOOWKSJI-XMMPIXPASA-N 0 0 398.462 6.058 50 30 GKEARN Clc1cc(/N=C/c2ccc(Br)s2)ccc1Br ZINC000000670287 206314013 /nfs/dbraw/zinc/31/40/13/206314013.db2.gz JXYDFKCTAYNTII-GIDUJCDVSA-N 0 0 379.504 5.677 50 30 GKEARN Cc1nc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)c(C#N)c(C)c1C ZINC000000688217 206317079 /nfs/dbraw/zinc/31/70/79/206317079.db2.gz RRIULWLLIWLJEK-UHFFFAOYSA-N 0 0 384.504 5.425 50 30 GKEARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000000714016 206319643 /nfs/dbraw/zinc/31/96/43/206319643.db2.gz MADREDXVUDKFKI-JAIQZWGSSA-N 0 0 377.421 5.801 50 30 GKEARN CCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000780198 206320759 /nfs/dbraw/zinc/32/07/59/206320759.db2.gz HBQVASLTZCNXJY-DEOSSOPVSA-N 0 0 390.527 5.924 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000815795 206323733 /nfs/dbraw/zinc/32/37/33/206323733.db2.gz NPWLIISVSZVNHR-NPMXOYFQSA-N 0 0 390.483 5.867 50 30 GKEARN CCOc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000000816093 206324338 /nfs/dbraw/zinc/32/43/38/206324338.db2.gz MHJBWKKYRYFRMU-JOCHJYFZSA-N 0 0 391.467 5.015 50 30 GKEARN N#Cc1ccc(Oc2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000828233 206325443 /nfs/dbraw/zinc/32/54/43/206325443.db2.gz HUHXRMLGUFQSIM-UHFFFAOYSA-N 0 0 393.786 5.164 50 30 GKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000883174 206330555 /nfs/dbraw/zinc/33/05/55/206330555.db2.gz USDNQVRLHNGZGC-DWXRJYCRSA-N 0 0 396.490 5.675 50 30 GKEARN C[C@@H]1CCc2sc(NC(=O)COc3ccc(Cl)cc3Cl)c(C#N)c2C1 ZINC000000998702 206340695 /nfs/dbraw/zinc/34/06/95/206340695.db2.gz QDKKLDZPRHRQHR-SNVBAGLBSA-N 0 0 395.311 5.069 50 30 GKEARN Cc1nn(C(C)(C)C)c(C)c1C=NOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001048835 206346047 /nfs/dbraw/zinc/34/60/47/206346047.db2.gz FUPRLICYSOIIGG-AWQFTUOYSA-N 0 0 383.279 5.144 50 30 GKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(CC#N)cc1 ZINC000001044636 206346122 /nfs/dbraw/zinc/34/61/22/206346122.db2.gz DFFDHNKVLYLKFV-UHFFFAOYSA-N 0 0 387.222 5.242 50 30 GKEARN CSc1ccc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc1 ZINC000001069800 206348361 /nfs/dbraw/zinc/34/83/61/206348361.db2.gz PFPGBTVLFUSDBH-JOCHJYFZSA-N 0 0 386.520 5.830 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 ZINC000001077130 206349495 /nfs/dbraw/zinc/34/94/95/206349495.db2.gz SCMSLUAOQWQNCY-QYBDOPJKSA-N 0 0 398.481 6.114 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1 ZINC000001079453 206350008 /nfs/dbraw/zinc/35/00/08/206350008.db2.gz CZTXBYRVSLGXNN-HNNXBMFYSA-N 0 0 386.278 5.521 50 30 GKEARN CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2C)c(=O)c1C#N ZINC000001388942 206378340 /nfs/dbraw/zinc/37/83/40/206378340.db2.gz SLAZWNLRPVELMF-UHFFFAOYSA-N 0 0 380.900 5.119 50 30 GKEARN N#C[C@H](c1ccc(Br)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000001403122 206379189 /nfs/dbraw/zinc/37/91/89/206379189.db2.gz QTSIFHDNKNOOTD-FQEVSTJZSA-N 0 0 394.243 5.475 50 30 GKEARN COc1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)c1 ZINC000001444727 206381486 /nfs/dbraw/zinc/38/14/86/206381486.db2.gz AJMNJTHJWSKXTC-SRZZPIQSSA-N 0 0 386.791 5.276 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccco3)C12 ZINC000001460141 206383521 /nfs/dbraw/zinc/38/35/21/206383521.db2.gz UKSUOTLCMBNMLL-IQMFZBJNSA-N 0 0 399.425 5.184 50 30 GKEARN O=c1oc2ccccc2cc1-c1csc(/N=C/c2c(O)ccc3ccccc32)n1 ZINC000001506834 206384923 /nfs/dbraw/zinc/38/49/23/206384923.db2.gz YWULYBMREASACQ-WYMPLXKRSA-N 0 0 398.443 5.526 50 30 GKEARN CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000001157962 206360520 /nfs/dbraw/zinc/36/05/20/206360520.db2.gz ZTPQRAPCMROKJZ-SANMLTNESA-N 0 0 396.534 6.215 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000001200941 206366900 /nfs/dbraw/zinc/36/69/00/206366900.db2.gz PEPSEVDUFXEJBW-VIFPVBQESA-N 0 0 380.300 5.695 50 30 GKEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001217682 206368890 /nfs/dbraw/zinc/36/88/90/206368890.db2.gz ZDHDJXFOGNPJLI-UHFFFAOYSA-N 0 0 393.792 5.370 50 30 GKEARN N#Cc1ccc(Oc2ccc(Cl)c(Oc3ccc(C#N)c(C#N)c3)c2)cc1C#N ZINC000001233133 206369543 /nfs/dbraw/zinc/36/95/43/206369543.db2.gz AYTBROQLUDKSMQ-UHFFFAOYSA-N 0 0 396.793 5.411 50 30 GKEARN CCCCCCCc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000002027975 206395890 /nfs/dbraw/zinc/39/58/90/206395890.db2.gz XEUJZMUWRZGAAL-UHFFFAOYSA-N 0 0 396.534 7.584 50 30 GKEARN O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2ccc(Cl)cc12 ZINC000002248953 206403777 /nfs/dbraw/zinc/40/37/77/206403777.db2.gz JYUHJQGQPOLTRG-UHFFFAOYSA-N 0 0 380.618 5.074 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000003324108 206469817 /nfs/dbraw/zinc/46/98/17/206469817.db2.gz AKKXRUZBPHSEAB-PDUUCECCSA-N 0 0 388.466 6.754 50 30 GKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000003044266 206454932 /nfs/dbraw/zinc/45/49/32/206454932.db2.gz OZOPZPRCGDREAP-WQRHYEAKSA-N 0 0 398.846 5.631 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@H]2c1ccc2c(c1)OCO2 ZINC000004141577 206503212 /nfs/dbraw/zinc/50/32/12/206503212.db2.gz HMHYLSJUZAKNBC-HSZRJFAPSA-N 0 0 397.474 5.769 50 30 GKEARN Cc1cccc(/C=C2\CC(c3ccccc3)C/C(=C\c3cccc(C)c3)C2=O)c1 ZINC000004826398 206558849 /nfs/dbraw/zinc/55/88/49/206558849.db2.gz IQTSWOGYGPMFDF-CTVDDJEBSA-N 0 0 378.515 6.917 50 30 GKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CCC3)cc1 ZINC000004948710 206576568 /nfs/dbraw/zinc/57/65/68/206576568.db2.gz MTYLEEUGBASGCQ-QHCPKHFHSA-N 0 0 399.494 5.062 50 30 GKEARN O=C(/C=C/c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)c1ccccc1 ZINC000005165273 206596229 /nfs/dbraw/zinc/59/62/29/206596229.db2.gz SIZVVBGIBZORCW-OVCLIPMQSA-N 0 0 386.882 5.851 50 30 GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000100954665 211394966 /nfs/dbraw/zinc/39/49/66/211394966.db2.gz YYOBCJXPUFCCPB-UHFFFAOYSA-N 0 0 394.559 6.635 50 30 biogenic GKEARN N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000012062436 206853071 /nfs/dbraw/zinc/85/30/71/206853071.db2.gz FEZFGCLIXVDGGC-UHFFFAOYSA-N 0 0 393.493 5.760 50 30 GKEARN CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(-c3ccccc3)c2CS1 ZINC000013764255 206998418 /nfs/dbraw/zinc/99/84/18/206998418.db2.gz SAURVVCPRXMUDB-UHFFFAOYSA-N 0 0 385.536 5.800 50 30 GKEARN N#Cc1ccccc1-c1ccc(CSc2nnc(C3CCCCC3)o2)cc1 ZINC000014201014 207015305 /nfs/dbraw/zinc/01/53/05/207015305.db2.gz AIEPVXPAFDDGHJ-UHFFFAOYSA-N 0 0 375.497 5.948 50 30 GKEARN Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 ZINC000015826363 207061843 /nfs/dbraw/zinc/06/18/43/207061843.db2.gz HKWQLVCJUOLILE-VWLOTQADSA-N 0 0 384.479 5.769 50 30 GKEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000016136459 207073314 /nfs/dbraw/zinc/07/33/14/207073314.db2.gz WBYWEGQCFFXPJP-CSKARUKUSA-N 0 0 385.088 5.955 50 30 GKEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000016768499 207078845 /nfs/dbraw/zinc/07/88/45/207078845.db2.gz BAJVBNSOXNGRTL-CMDGGOBGSA-N 0 0 375.497 5.237 50 30 GKEARN CCCCc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCCC3)cc1 ZINC000017206399 207088027 /nfs/dbraw/zinc/08/80/27/207088027.db2.gz NEAJEIXCRRIJHI-UHFFFAOYSA-N 0 0 394.522 6.324 50 30 GKEARN O=C1c2ccccc2C2=C1[C@@H](c1c(F)cccc1Cl)Sc1ccccc1N2 ZINC000018222319 207096410 /nfs/dbraw/zinc/09/64/10/207096410.db2.gz ZQMYYDFBVVULQT-JOCHJYFZSA-N 0 0 393.870 6.346 50 30 GKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000018222381 207097204 /nfs/dbraw/zinc/09/72/04/207097204.db2.gz NFFVMRYVYGTVBG-YADARESESA-N 0 0 398.510 5.126 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018324832 207098349 /nfs/dbraw/zinc/09/83/49/207098349.db2.gz SKLVBYAAVLSDGU-QFIPXVFZSA-N 0 0 391.471 5.434 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000018285321 207098739 /nfs/dbraw/zinc/09/87/39/207098739.db2.gz GXKJKWBMCPABQI-HSZRJFAPSA-N 0 0 392.474 5.379 50 30 GKEARN COc1cccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000019794124 207162446 /nfs/dbraw/zinc/16/24/46/207162446.db2.gz PRVSESXNWKUXAQ-UHFFFAOYSA-N 0 0 382.876 5.143 50 30 GKEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N(C)Cc2ccccc2)n1 ZINC000019820536 207165188 /nfs/dbraw/zinc/16/51/88/207165188.db2.gz SRNGKDUGMMBSSI-UHFFFAOYSA-N 0 0 380.904 5.027 50 30 GKEARN CCCCC#C[C@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(C)cc1 ZINC000003049334 207311409 /nfs/dbraw/zinc/31/14/09/207311409.db2.gz OJHJGXYXIWPJJB-NRFANRHFSA-N 0 0 390.552 5.774 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@H]1CCCCO1 ZINC000026704176 207317299 /nfs/dbraw/zinc/31/72/99/207317299.db2.gz ZKPHVDHQYUDPJS-LLVKDONJSA-N 0 0 384.448 5.362 50 30 GKEARN N#Cc1cccc([C@H](CC(=O)Nc2ccccc2)c2c[nH]c3ccccc32)c1Cl ZINC000096289149 208301713 /nfs/dbraw/zinc/30/17/13/208301713.db2.gz WRRRKGIEMVLWRA-FQEVSTJZSA-N 0 0 399.881 5.854 50 30 GKEARN Cc1ccc(Cn2cccc2CN(CCC(C)C)Cc2ccccc2C#N)cc1 ZINC000096299912 208304426 /nfs/dbraw/zinc/30/44/26/208304426.db2.gz WHSGZMMXZVVYEK-UHFFFAOYSA-N 0 0 385.555 5.765 50 30 GKEARN COc1ccc(C2=C(Nc3ccc(F)cc3)c3ccccc3C2=O)cc1OC ZINC000100938262 208383800 /nfs/dbraw/zinc/38/38/00/208383800.db2.gz HZKBIQMEWFZLFN-UHFFFAOYSA-N 0 0 375.399 5.020 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N\[C@H]2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000101094688 208386114 /nfs/dbraw/zinc/38/61/14/208386114.db2.gz FEDSOFNUAPJYJU-DUQUIBLKSA-N 0 0 398.260 5.335 50 30 GKEARN CNc1ccc(Cl)c(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 ZINC000328592673 533064524 /nfs/dbraw/zinc/06/45/24/533064524.db2.gz ZXVPAZGKWDRKQW-UHFFFAOYSA-N 0 0 387.892 5.459 50 30 GKEARN CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820363 210299550 /nfs/dbraw/zinc/29/95/50/210299550.db2.gz IKKOWOGVJLFQEE-UHFFFAOYSA-N 0 0 388.540 6.087 50 30 GKEARN CCc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1Br ZINC000019757588 210292937 /nfs/dbraw/zinc/29/29/37/210292937.db2.gz IQKKIGMYCKKASN-UHFFFAOYSA-N 0 0 390.350 5.248 50 30 GKEARN CN1c2c(ccc3ccccc23)S/C1=C/C=C/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000100933004 208707470 /nfs/dbraw/zinc/70/74/70/208707470.db2.gz OGHQTFBDOYJOSW-VFQRANFRSA-N 0 0 387.464 6.090 50 30 GKEARN C[C@@H](/N=C1\SCCN1C(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000002643223 533108158 /nfs/dbraw/zinc/10/81/58/533108158.db2.gz MXSRUJVIXSDGHK-JJDWYLCDSA-N 0 0 378.419 5.012 50 30 GKEARN CC[C@H](Sc1nc(C)cc(C)c1C#N)C(=O)Nc1ccc2ccccc2c1 ZINC000000691784 220453614 /nfs/dbraw/zinc/45/36/14/220453614.db2.gz VFIFODJSNXPHSH-FQEVSTJZSA-N 0 0 375.497 5.233 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000000752131 220457488 /nfs/dbraw/zinc/45/74/88/220457488.db2.gz KPAWWHQQBOQJPI-DEOSSOPVSA-N 0 0 398.462 6.058 50 30 GKEARN CCOc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000002441888 220534793 /nfs/dbraw/zinc/53/47/93/220534793.db2.gz OWYMXDCKUTYSIN-DEOSSOPVSA-N 0 0 385.488 5.952 50 30 GKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Sc1nc2ccccc2s1 ZINC000002810033 220569981 /nfs/dbraw/zinc/56/99/81/220569981.db2.gz AHPLJJBWOSKFFI-UHFFFAOYSA-N 0 0 383.313 6.023 50 30 GKEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc(Cl)cc4Cl)c3)nc21 ZINC000003115375 220604954 /nfs/dbraw/zinc/60/49/54/220604954.db2.gz PCZDMZWKXZIGAA-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC(=CC2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004036688 220673518 /nfs/dbraw/zinc/67/35/18/220673518.db2.gz WAFDKBRYFIWSNS-ZBJSNUHESA-N 0 0 380.404 5.210 50 30 GKEARN C[C@@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c(C#N)c2C1 ZINC000004070080 220676226 /nfs/dbraw/zinc/67/62/26/220676226.db2.gz FRSSLBAWTIXZQW-OAHLLOKOSA-N 0 0 388.492 5.789 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cc4ccccc4)cc3)n2)cc1 ZINC000004075725 220677879 /nfs/dbraw/zinc/67/78/79/220677879.db2.gz ATVJAVNFMIPGAQ-UHFFFAOYSA-N 0 0 395.487 5.525 50 30 GKEARN C=CCn1c(-c2ccccc2)cs/c1=N\N=C(\C)c1ccc2ccccc2c1 ZINC000004184734 220692060 /nfs/dbraw/zinc/69/20/60/220692060.db2.gz AAPCOHKAJCGXDS-PZZIWJDUSA-N 0 0 383.520 5.881 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)o1 ZINC000004199740 220693763 /nfs/dbraw/zinc/69/37/63/220693763.db2.gz CRIDWQJLQWLKSC-AVRWGWEMSA-N 0 0 384.479 5.876 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000004211027 220693779 /nfs/dbraw/zinc/69/37/79/220693779.db2.gz PLLUJKZTUUWJBV-DFBJGRDBSA-N 0 0 381.479 5.370 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000004281047 220701299 /nfs/dbraw/zinc/70/12/99/220701299.db2.gz PLLUJKZTUUWJBV-KBMIEXCESA-N 0 0 381.479 5.370 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000004348850 220710152 /nfs/dbraw/zinc/71/01/52/220710152.db2.gz AKCUOAXWDGLVBY-KEBDBYFISA-N 0 0 376.199 5.608 50 30 GKEARN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000004359589 220711503 /nfs/dbraw/zinc/71/15/03/220711503.db2.gz ITRUQIZYFTVJTD-BUVRLJJBSA-N 0 0 387.439 6.091 50 30 GKEARN COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)[C@H]2CC(=O)c1ccc(F)cc1 ZINC000004778734 220765071 /nfs/dbraw/zinc/76/50/71/220765071.db2.gz AGURVECRTVMSTH-KRWDZBQOSA-N 0 0 394.442 5.227 50 30 GKEARN CCCCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000005050833 220819511 /nfs/dbraw/zinc/81/95/11/220819511.db2.gz VBOJWVNORTZLDI-UHFFFAOYSA-N 0 0 393.556 5.084 50 30 biogenic GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccncc4)c3c2C1 ZINC000005602761 220887090 /nfs/dbraw/zinc/88/70/90/220887090.db2.gz WVCPWVOBXUXRQP-FCUAXUHVSA-N 0 0 379.533 5.073 50 30 GKEARN FC(F)(F)c1ccc(CN=Nc2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000005519441 220879429 /nfs/dbraw/zinc/87/94/29/220879429.db2.gz HMFMVXTYBMTYPL-PGGKNCGUSA-N 0 0 384.283 5.113 50 30 GKEARN CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005809655 220900065 /nfs/dbraw/zinc/90/00/65/220900065.db2.gz FFPNZQMJEHZIDU-MRXNPFEDSA-N 0 0 379.312 5.018 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)sc2C1 ZINC000005984687 220910374 /nfs/dbraw/zinc/91/03/74/220910374.db2.gz XUBGARVOXUKTSA-HZPDHXFCSA-N 0 0 382.529 5.158 50 30 GKEARN N#Cc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000006208581 220924485 /nfs/dbraw/zinc/92/44/85/220924485.db2.gz RZFMONJYONAJRO-FQEVSTJZSA-N 0 0 399.881 5.255 50 30 GKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(C(F)(F)F)c1 ZINC000006830260 220968950 /nfs/dbraw/zinc/96/89/50/220968950.db2.gz MUNWOKDJWVCPFM-UHFFFAOYSA-N 0 0 394.400 5.992 50 30 GKEARN COc1cc(/C=C/C(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC ZINC000008322564 221037459 /nfs/dbraw/zinc/03/74/59/221037459.db2.gz FUPRFHKOAGSTLA-SNAWJCMRSA-N 0 0 385.218 5.054 50 30 GKEARN CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000008438750 221042251 /nfs/dbraw/zinc/04/22/51/221042251.db2.gz UOMLPGDCACEVAQ-OAQYLSRUSA-N 0 0 392.499 5.020 50 30 GKEARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152903 221071655 /nfs/dbraw/zinc/07/16/55/221071655.db2.gz JVBXMEFEVUHBQV-HXUWFJFHSA-N 0 0 399.494 5.286 50 30 GKEARN CC(C)N(C(=O)COc1ccc(C#N)cc1)c1ccc(Nc2ccccc2)cc1 ZINC000010532333 221105244 /nfs/dbraw/zinc/10/52/44/221105244.db2.gz SBPCYXDECCNDRG-UHFFFAOYSA-N 0 0 385.467 5.122 50 30 GKEARN N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000009885613 221093202 /nfs/dbraw/zinc/09/32/02/221093202.db2.gz ZCTTUJGTAVQVHI-UHFFFAOYSA-N 0 0 397.478 5.079 50 30 GKEARN C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccccc1 ZINC000012239418 221171827 /nfs/dbraw/zinc/17/18/27/221171827.db2.gz AWDKVJKJUDEYLK-UHFFFAOYSA-N 0 0 388.496 5.387 50 30 GKEARN N#Cc1c(SCc2ccccc2F)noc1-c1ccc(Cl)c(Cl)c1 ZINC000012624545 221215910 /nfs/dbraw/zinc/21/59/10/221215910.db2.gz WTCHTXRWOIPPQH-UHFFFAOYSA-N 0 0 379.243 5.951 50 30 GKEARN COc1ccc(/C=C/C(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1OC ZINC000012911070 221245220 /nfs/dbraw/zinc/24/52/20/221245220.db2.gz WQIISEQPCGLYDK-GQCTYLIASA-N 0 0 385.218 5.054 50 30 GKEARN CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(Cc3ccccc3)c2CO1 ZINC000013510551 221270687 /nfs/dbraw/zinc/27/06/87/221270687.db2.gz NZGSPZGWEOKHMN-UHFFFAOYSA-N 0 0 383.495 5.007 50 30 GKEARN CSc1nc(C2CC2)cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1C#N ZINC000014120306 221299911 /nfs/dbraw/zinc/29/99/11/221299911.db2.gz UNALZSOZEMFZNZ-UHFFFAOYSA-N 0 0 393.556 6.052 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccccc1F)c1ccccc1N2 ZINC000015826343 221346497 /nfs/dbraw/zinc/34/64/97/221346497.db2.gz RYGNOYMIFMAPTR-DEOSSOPVSA-N 0 0 388.442 5.599 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12 ZINC000015961173 221354116 /nfs/dbraw/zinc/35/41/16/221354116.db2.gz RNFBNZKVTPGHIR-WSDLNYQXSA-N 0 0 392.256 5.220 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@H](C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197822 221390533 /nfs/dbraw/zinc/39/05/33/221390533.db2.gz MMUZTYCZLMLMFX-ZFWWWQNUSA-N 0 0 375.497 5.172 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000018266709 221391238 /nfs/dbraw/zinc/39/12/38/221391238.db2.gz SRGMCGJVUINXLM-QMHKHESXSA-N 0 0 397.503 5.514 50 30 GKEARN CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N(C)C2CCCCC2)n1 ZINC000019820359 221457458 /nfs/dbraw/zinc/45/74/58/221457458.db2.gz WZAUNWKTPIZBCO-UHFFFAOYSA-N 0 0 394.588 5.804 50 30 GKEARN CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820526 221458067 /nfs/dbraw/zinc/45/80/67/221458067.db2.gz RNXCACIQWFMABA-ZDUSSCGKSA-N 0 0 380.904 5.564 50 30 GKEARN O=C1/C(=C\c2ccc(Br)o2)CC/C1=C/c1ccc(Br)o1 ZINC000020115347 221473379 /nfs/dbraw/zinc/47/33/79/221473379.db2.gz FQSAMZBXONCPIY-XOHWUJONSA-N 0 0 398.050 5.228 50 30 GKEARN COc1ccc(/N=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000100346773 533251609 /nfs/dbraw/zinc/25/16/09/533251609.db2.gz WOPULHISVBUUDB-DARPEHSRSA-N 0 0 376.843 5.016 50 30 GKEARN COc1cccc(-c2csc(C(C#N)=NNc3ccc(C(C)C)cc3)n2)c1 ZINC000004175454 533371476 /nfs/dbraw/zinc/37/14/76/533371476.db2.gz GVLGKVWSAMVZJB-PLRJNAJWSA-N 0 0 376.485 5.282 50 30 GKEARN O=S(=O)(/N=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000087705945 222326322 /nfs/dbraw/zinc/32/63/22/222326322.db2.gz DVFZYOKIVVCGIF-XUTLUUPISA-N 0 0 387.913 5.268 50 30 GKEARN Cc1cc(C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000077032151 222271932 /nfs/dbraw/zinc/27/19/32/222271932.db2.gz CMORVDDKOVDMDP-UHFFFAOYSA-N 0 0 375.819 5.026 50 30 GKEARN CCCCCCCCC(=O)Nc1ccc(Br)cc1Br ZINC000097944220 519972722 /nfs/dbraw/zinc/97/27/22/519972722.db2.gz PHGMDZJKEHMTFA-UHFFFAOYSA-N 0 0 391.147 5.901 50 30 GKEARN Brc1cccc(OCCON=C2c3ccccc3-c3ccccc32)c1 ZINC000002648174 518223087 /nfs/dbraw/zinc/22/30/87/518223087.db2.gz PYBKYICTJDEKEP-UHFFFAOYSA-N 0 0 394.268 5.278 50 30 GKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076816 518329351 /nfs/dbraw/zinc/32/93/51/518329351.db2.gz YCFTYQWKIFSOMF-GOSISDBHSA-N 0 0 377.440 5.040 50 30 GKEARN c1[nH]c2ccccc2c1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000016977518 518376340 /nfs/dbraw/zinc/37/63/40/518376340.db2.gz RTRJEGGGIOPGAG-WGOQTCKBSA-N 0 0 394.503 5.826 50 30 GKEARN C(=N/c1ccc(Cc2ccc(/N=C/c3cccnc3)cc2)cc1)\c1cccnc1 ZINC000000858203 518378772 /nfs/dbraw/zinc/37/87/72/518378772.db2.gz YONSDIDKWFLBIK-UOSOPFLXSA-N 0 0 376.463 5.569 50 30 GKEARN C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000003087891 518379281 /nfs/dbraw/zinc/37/92/81/518379281.db2.gz VJVKPMMVTMYXPU-PCLIKHOPSA-N 0 0 395.487 6.725 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(O)cc1 ZINC000013714102 518453003 /nfs/dbraw/zinc/45/30/03/518453003.db2.gz BIQXVJNXYOMZEJ-FBHDLOMBSA-N 0 0 378.284 5.659 50 30 GKEARN C/C(=N/O)c1ccc(OCCCCCCOc2ccc(/C(C)=N\O)cc2)cc1 ZINC000100445872 518454930 /nfs/dbraw/zinc/45/49/30/518454930.db2.gz PSLLPDPNNOVIKM-BOYKQRMESA-N 0 0 384.476 5.101 50 30 GKEARN C/C(=N/OC(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000004199403 518455232 /nfs/dbraw/zinc/45/52/32/518455232.db2.gz ZSHVBVNJRWBZEV-OCKHKDLRSA-N 0 0 387.060 5.337 50 30 GKEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000019800600 518459587 /nfs/dbraw/zinc/45/95/87/518459587.db2.gz SPHNQPCBXMOEGX-XIEYBQDHSA-N 0 0 377.919 5.035 50 30 GKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000035653420 518466551 /nfs/dbraw/zinc/46/65/51/518466551.db2.gz YCQCKFGSKLJWEJ-WSDLNYQXSA-N 0 0 376.312 6.261 50 30 GKEARN Cc1ccc(-c2nc3ccccc3c(N=NC(C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000004989554 518466613 /nfs/dbraw/zinc/46/66/13/518466613.db2.gz FVTGJTWTYRWFOK-WGOQTCKBSA-N 0 0 397.438 5.350 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccccc3)n2)cc1 ZINC000004947462 518467175 /nfs/dbraw/zinc/46/71/75/518467175.db2.gz PRMVGCXEQRRQPU-TURZUDJPSA-N 0 0 378.479 5.955 50 30 GKEARN CC(Cc1nsc(Nc2ccccc2)n1)N=Nc1cc(Cl)ccc1Cl ZINC000004363149 518476099 /nfs/dbraw/zinc/47/60/99/518476099.db2.gz IMOMIRPDJUIANS-SSDVNMTOSA-N 0 0 392.315 5.619 50 30 GKEARN C/C=C/Oc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1 ZINC000032617753 518548365 /nfs/dbraw/zinc/54/83/65/518548365.db2.gz NTAVTQYFCKOBOJ-FLXKXKQDSA-N 0 0 382.419 5.559 50 30 GKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2ccc(C)s2)o1 ZINC000036203517 518588046 /nfs/dbraw/zinc/58/80/46/518588046.db2.gz WUTAVTLALPEYQR-UHFFFAOYSA-N 0 0 397.540 5.785 50 30 GKEARN C=C(C)COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000071284080 518614951 /nfs/dbraw/zinc/61/49/51/518614951.db2.gz YPOSAKULRXPOCZ-SFHVURJKSA-N 0 0 387.505 5.019 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000002309038 518647011 /nfs/dbraw/zinc/64/70/11/518647011.db2.gz RDSRDRWWDVEJCO-UHFFFAOYSA-N 0 0 376.544 5.619 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccco2)c1 ZINC000057450921 518647453 /nfs/dbraw/zinc/64/74/53/518647453.db2.gz YVEMOVATEJFKPQ-DENIHFKCSA-N 0 0 380.532 5.649 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000003227687 518649144 /nfs/dbraw/zinc/64/91/44/518649144.db2.gz ZSGZJVRWROHCFP-UHFFFAOYSA-N 0 0 384.523 6.367 50 30 GKEARN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)CC)C2 ZINC000022331185 518696018 /nfs/dbraw/zinc/69/60/18/518696018.db2.gz ADYUQGQVJPBSCU-AWEZNQCLSA-N 0 0 377.550 5.371 50 30 GKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2F)C2CC2)o1 ZINC000036202212 518698546 /nfs/dbraw/zinc/69/85/46/518698546.db2.gz BVSJEGILNYQLSB-UHFFFAOYSA-N 0 0 383.507 5.703 50 30 GKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2F)C(C)C)o1 ZINC000036202180 518698750 /nfs/dbraw/zinc/69/87/50/518698750.db2.gz LQVFCRCGOKCKDQ-UHFFFAOYSA-N 0 0 385.523 5.949 50 30 GKEARN C=CCN(C(=O)Cc1c(F)cccc1Cl)c1nc(-c2ccccc2)cs1 ZINC000008186339 518733612 /nfs/dbraw/zinc/73/36/12/518733612.db2.gz PKMLZCHJSAWHQP-UHFFFAOYSA-N 0 0 386.879 5.364 50 30 GKEARN C=CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000058642340 518735605 /nfs/dbraw/zinc/73/56/05/518735605.db2.gz MNOHWNWSWFESAH-UHFFFAOYSA-N 0 0 398.915 5.137 50 30 GKEARN C=CCN(C(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2)C1CCCCC1 ZINC000022659341 518737723 /nfs/dbraw/zinc/73/77/23/518737723.db2.gz ANRAAXZCETVEAD-UHFFFAOYSA-N 0 0 381.541 5.483 50 30 GKEARN C=CCN(C(=O)c1ccc(C(=O)N(CC=C)c2ccccc2)cc1)c1ccccc1 ZINC000000992531 518737739 /nfs/dbraw/zinc/73/77/39/518737739.db2.gz IFBKCNHLHZUFJA-UHFFFAOYSA-N 0 0 396.490 5.352 50 30 GKEARN C=CCN(C(=O)c1ccc2ncsc2c1)c1nc(-c2ccccc2)cs1 ZINC000020915399 518738459 /nfs/dbraw/zinc/73/84/59/518738459.db2.gz UUTGGPPHMQHFPP-UHFFFAOYSA-N 0 0 377.494 5.253 50 30 GKEARN C=CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1ccccc1 ZINC000058642461 518739851 /nfs/dbraw/zinc/73/98/51/518739851.db2.gz IMAQWQJASAJHBJ-UHFFFAOYSA-N 0 0 385.389 5.032 50 30 GKEARN C=CCN(C(=O)c1ccncc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000015544320 518739890 /nfs/dbraw/zinc/73/98/90/518739890.db2.gz WSDGICLIVMDNPD-UHFFFAOYSA-N 0 0 390.295 5.345 50 30 GKEARN C=CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1nc(-c2ccccc2)cs1 ZINC000120592838 518741137 /nfs/dbraw/zinc/74/11/37/518741137.db2.gz BIXOHGPCJOWYBP-UHFFFAOYSA-N 0 0 398.919 5.210 50 30 GKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H](CC)c1ccccc1 ZINC000005484251 518797467 /nfs/dbraw/zinc/79/74/67/518797467.db2.gz GWXNVIAESRWXJF-LJQANCHMSA-N 0 0 395.890 5.098 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000013785877 518832498 /nfs/dbraw/zinc/83/24/98/518832498.db2.gz LALIEXGVNFNIII-OQLLNIDSSA-N 0 0 396.320 5.641 50 30 GKEARN CC(C)(C)c1ccc(/C=C\C(=O)c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000096766863 519013884 /nfs/dbraw/zinc/01/38/84/519013884.db2.gz KRJJWCGLURUJDG-UVTDQMKNSA-N 0 0 385.532 7.088 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(C[C@H](CC)CCCC)C2=O)cc1 ZINC000002678022 519016943 /nfs/dbraw/zinc/01/69/43/519016943.db2.gz KJCJVNZYYUOUGC-BAACNHRGSA-N 0 0 389.586 5.669 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(CC)cc2)cc1 ZINC000006747443 519024446 /nfs/dbraw/zinc/02/44/46/519024446.db2.gz VOQDXFYBMJDUBU-UHFFFAOYSA-N 0 0 375.468 5.249 50 30 GKEARN C=CCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028287998 519025849 /nfs/dbraw/zinc/02/58/49/519025849.db2.gz UCTKVDMLYYXSRJ-UHFFFAOYSA-N 0 0 398.915 5.001 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1 ZINC000046076196 519044165 /nfs/dbraw/zinc/04/41/65/519044165.db2.gz LFMJHENSMDOHQD-IBGZPJMESA-N 0 0 391.492 5.463 50 30 GKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076812 519048900 /nfs/dbraw/zinc/04/89/00/519048900.db2.gz FRQNDOMEKWVWOR-GOSISDBHSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1 ZINC000101312681 519050882 /nfs/dbraw/zinc/05/08/82/519050882.db2.gz XOSUFAQAESSCDF-YISMEOAQSA-N 0 0 384.888 5.139 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccccc1C ZINC000035927743 519063687 /nfs/dbraw/zinc/06/36/87/519063687.db2.gz OUWMSPZBWBUYHX-UHFFFAOYSA-N 0 0 376.500 5.091 50 30 GKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076135 519073887 /nfs/dbraw/zinc/07/38/87/519073887.db2.gz QRZRYWWKMRSOEU-GOSISDBHSA-N 0 0 391.492 5.463 50 30 GKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000013552957 519074539 /nfs/dbraw/zinc/07/45/39/519074539.db2.gz UUIOLIZUXWVCRM-GOSISDBHSA-N 0 0 377.419 5.008 50 30 GKEARN C=CCSc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl ZINC000027025853 519081124 /nfs/dbraw/zinc/08/11/24/519081124.db2.gz DUTCPCZLEWNMPH-UHFFFAOYSA-N 0 0 393.295 5.340 50 30 GKEARN C=CCc1cc(OC)ccc1OCCCCOc1cccc2ccc(C)nc21 ZINC000002823968 519132137 /nfs/dbraw/zinc/13/21/37/519132137.db2.gz QPYPUGJEIAPMTR-UHFFFAOYSA-N 0 0 377.484 5.518 50 30 GKEARN C=CCc1ccc(OCCCCOc2ccc(Br)cc2)c(OC)c1 ZINC000002991428 519135668 /nfs/dbraw/zinc/13/56/68/519135668.db2.gz JQZOSTXJSBARCX-UHFFFAOYSA-N 0 0 391.305 5.424 50 30 GKEARN C=CCc1ccc(OCCCOc2ccc(C)cc2Br)c(OC)c1 ZINC000002985939 519136002 /nfs/dbraw/zinc/13/60/02/519136002.db2.gz JMMNWBGQSJEKRA-UHFFFAOYSA-N 0 0 391.305 5.343 50 30 GKEARN C=CCc1ccc(OCCOCCOc2cccc3ccccc32)c(OC)c1 ZINC000002983846 519137424 /nfs/dbraw/zinc/13/74/24/519137424.db2.gz VPELWWRLYGPDEG-UHFFFAOYSA-N 0 0 378.468 5.051 50 30 GKEARN C=CCc1ccc(OCCOCCOc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002985617 519137747 /nfs/dbraw/zinc/13/77/47/519137747.db2.gz XALZUEUDQRIRPD-UHFFFAOYSA-N 0 0 397.298 5.205 50 30 GKEARN C=CCc1ccc(OCCOCCSc2ccc(Cl)cc2)c(OC)c1 ZINC000002991045 519138111 /nfs/dbraw/zinc/13/81/11/519138111.db2.gz URYXNDPHIISVAF-UHFFFAOYSA-N 0 0 378.921 5.265 50 30 GKEARN C=CCc1ccc(OCCCOc2cccc(Br)c2)c(OC)c1 ZINC000002991207 519138166 /nfs/dbraw/zinc/13/81/66/519138166.db2.gz KSNXUUICCPZMDZ-UHFFFAOYSA-N 0 0 377.278 5.034 50 30 GKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1 ZINC000013774001 519148561 /nfs/dbraw/zinc/14/85/61/519148561.db2.gz IOIHKSFDENGUBW-FLFQWRMESA-N 0 0 397.931 5.555 50 30 GKEARN C=CCn1c(Cc2cccs2)nnc1SCc1c(Cl)cccc1Cl ZINC000001058064 519193776 /nfs/dbraw/zinc/19/37/76/519193776.db2.gz YJAWPLCQKVZEPW-UHFFFAOYSA-N 0 0 396.368 5.716 50 30 GKEARN C=CCn1c(SCCCC(=O)c2ccc(F)cc2)nnc1C1CCCCC1 ZINC000008071752 519236051 /nfs/dbraw/zinc/23/60/51/519236051.db2.gz UPSCKBHSMIYXRE-UHFFFAOYSA-N 0 0 387.524 5.406 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 ZINC000004346262 519239840 /nfs/dbraw/zinc/23/98/40/519239840.db2.gz BJRTZAHAKAWPGO-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478398 519243108 /nfs/dbraw/zinc/24/31/08/519243108.db2.gz LQCFKVMGWYVBAL-UHFFFAOYSA-N 0 0 381.520 5.860 50 30 GKEARN C=CCn1c(SCc2cccc3ccccc32)nnc1-c1ccccc1Cl ZINC000014068245 519243177 /nfs/dbraw/zinc/24/31/77/519243177.db2.gz UOMPAMKJBWTZGI-UHFFFAOYSA-N 0 0 391.927 6.230 50 30 GKEARN C=CCn1c(SCc2cccc3ccccc32)nnc1-c1ccc(F)cc1 ZINC000002204005 519244376 /nfs/dbraw/zinc/24/43/76/519244376.db2.gz BYQWZZADNZRBSY-UHFFFAOYSA-N 0 0 375.472 5.716 50 30 GKEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005477801 519244927 /nfs/dbraw/zinc/24/49/27/519244927.db2.gz FIBIJBWMEHUCRJ-UHFFFAOYSA-N 0 0 381.520 5.860 50 30 GKEARN C=CCn1c(S[C@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000058109613 519257806 /nfs/dbraw/zinc/25/78/06/519257806.db2.gz OTQIHQWLVJOKKM-UONOGXRCSA-N 0 0 397.569 5.017 50 30 GKEARN C=CCn1c2ccccc2nc1/N=C/c1ccc(OCCCCCCCC)cc1 ZINC000008399515 519267764 /nfs/dbraw/zinc/26/77/64/519267764.db2.gz VLCFGIMLQRRYQJ-LHLOQNFPSA-N 0 0 389.543 6.712 50 30 GKEARN C=CCn1nc(C)c(-c2c(-c3ccccc3)ncn2CCCc2cccnc2)c1C ZINC000065530432 519288501 /nfs/dbraw/zinc/28/85/01/519288501.db2.gz KLBXQYRPMRVSOC-UHFFFAOYSA-N 0 0 397.526 5.244 50 30 GKEARN CC(=CCc1ccccc1)N=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004672715 519346576 /nfs/dbraw/zinc/34/65/76/519346576.db2.gz NHVYQGYCHMFSRW-NAVQUYGWSA-N 0 0 398.329 6.074 50 30 GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009576548 519439829 /nfs/dbraw/zinc/43/98/29/519439829.db2.gz ORIUCDURGVKFMK-OCKHKDLRSA-N 0 0 375.251 5.955 50 30 GKEARN CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000004654830 519444645 /nfs/dbraw/zinc/44/46/45/519444645.db2.gz FJDPATXIBIBRIM-FSSWDIPSSA-N 0 0 375.468 5.825 50 30 in-man GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)o2)cs1)c1c(C)cccc1C ZINC000024836773 519473576 /nfs/dbraw/zinc/47/35/76/519473576.db2.gz KBOFEXJCYGRHGU-MDZDMXLPSA-N 0 0 380.469 5.242 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(O)cc2)cs1)c1c(C)cccc1C ZINC000096924449 519476202 /nfs/dbraw/zinc/47/62/02/519476202.db2.gz ZXURKOJQWKAIRX-XFXZXTDPSA-N 0 0 392.480 5.046 50 30 GKEARN CC(C)CC(NN=c1[nH]c2ccccc2s1)=C1C(=O)c2ccccc2C1=O ZINC000100847515 519547826 /nfs/dbraw/zinc/54/78/26/519547826.db2.gz VJYGHFBAPMIDOA-KQWNVCNZSA-N 0 0 377.469 5.276 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000018116158 519640505 /nfs/dbraw/zinc/64/05/05/519640505.db2.gz RLXIKKSMSXZEAZ-BVZFJXPGSA-N 0 0 398.462 5.200 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257346680 519645910 /nfs/dbraw/zinc/64/59/10/519645910.db2.gz GWOSBUGZGFVDDS-LDGUJILYSA-N 0 0 398.631 6.776 50 30 GKEARN CC(C)Oc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3o2)cc1 ZINC000012587025 519778467 /nfs/dbraw/zinc/77/84/67/519778467.db2.gz IMOYZDAINATAKQ-ZHZULCJRSA-N 0 0 384.435 5.434 50 30 GKEARN CC(C)Oc1ccccc1/C=C1/CCC/C(=C/c2ccccc2OC(C)C)C1=O ZINC000004825986 519783795 /nfs/dbraw/zinc/78/37/95/519783795.db2.gz SRDNBJFKJGDYFJ-IDUDEYGOSA-N 0 0 390.523 6.481 50 30 GKEARN CC(C)SC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000013396775 519787428 /nfs/dbraw/zinc/78/74/28/519787428.db2.gz JADATXHYDRYDGR-JCMHNJIXSA-N 0 0 398.746 6.648 50 30 GKEARN CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C ZINC000013399963 519841028 /nfs/dbraw/zinc/84/10/28/519841028.db2.gz JWVIIGXMTONOFR-DPCVLPDWSA-N 0 0 376.588 8.285 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000097950783 519962983 /nfs/dbraw/zinc/96/29/83/519962983.db2.gz PMNXKWYKTDOLPZ-OAHLLOKOSA-N 0 0 383.722 5.411 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21 ZINC000102993346 519963569 /nfs/dbraw/zinc/96/35/69/519963569.db2.gz JCXVNRSLRDQOTJ-UHFFFAOYSA-N 0 0 385.458 5.887 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2ccccc2OC)nc2cc(C)ccn21 ZINC000102993356 519963672 /nfs/dbraw/zinc/96/36/72/519963672.db2.gz RHSSONISRFRCCV-UHFFFAOYSA-N 0 0 379.504 5.617 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000003122773 519963752 /nfs/dbraw/zinc/96/37/52/519963752.db2.gz ORJJPDCYCQAUET-KRWDZBQOSA-N 0 0 393.786 5.888 50 30 GKEARN CCCCCCCC(=O)Nc1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000102819304 519966527 /nfs/dbraw/zinc/96/65/27/519966527.db2.gz AQMAICWEDQVYEO-UHFFFAOYSA-N 0 0 377.485 5.207 50 30 GKEARN CCCCCCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000003333400 519972367 /nfs/dbraw/zinc/97/23/67/519972367.db2.gz BFTUEDYKQAZTOD-UHFFFAOYSA-N 0 0 376.522 5.516 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2cc(C)ccn21 ZINC000102996486 519972756 /nfs/dbraw/zinc/97/27/56/519972756.db2.gz QVNHCFSZBRIJLK-UHFFFAOYSA-N 0 0 377.532 6.307 50 30 GKEARN CCCCCCCCCC=CC[C@H]1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1=O ZINC000100394296 519975885 /nfs/dbraw/zinc/97/58/85/519975885.db2.gz JHWJUKVZCSFSLL-ARKBFRDHSA-N 0 0 397.603 6.951 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000102066651 519979414 /nfs/dbraw/zinc/97/94/14/519979414.db2.gz RBRLWBBXFYCLQJ-SFTDATJTSA-N 0 0 399.531 5.412 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1c2ccccc2nc(CCC)c1CC ZINC000097950470 519981675 /nfs/dbraw/zinc/98/16/75/519981675.db2.gz KSGWUZSPOZUYTB-UHFFFAOYSA-N 0 0 396.619 7.609 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1cc(OC)ccc1OC ZINC000100813330 519981711 /nfs/dbraw/zinc/98/17/11/519981711.db2.gz CTNBRWQQGPHASM-UHFFFAOYSA-N 0 0 394.581 5.438 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1OCC ZINC000100815848 519981833 /nfs/dbraw/zinc/98/18/33/519981833.db2.gz ZUNUEAHFMSKWHP-UHFFFAOYSA-N 0 0 378.582 5.819 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)NCCCn1ccnc1 ZINC000100285418 519992452 /nfs/dbraw/zinc/99/24/52/519992452.db2.gz QKKISHLEHVXNQN-UHFFFAOYSA-N 0 0 391.644 6.651 50 30 GKEARN CCCCCCCCCCCCCCCCCC1=Nc2ccccc2NC(=O)C1 ZINC000100758595 519992855 /nfs/dbraw/zinc/99/28/55/519992855.db2.gz QJGLKJGNFYAVHH-UHFFFAOYSA-N 0 0 398.635 8.363 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc2ccccc2c1 ZINC000101020062 519993219 /nfs/dbraw/zinc/99/32/19/519993219.db2.gz JTVHJGVRAXNHNH-UHFFFAOYSA-N 0 0 394.643 9.284 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)n1ccnc1 ZINC000101015505 519994311 /nfs/dbraw/zinc/99/43/11/519994311.db2.gz NAZHHBNDIVCGOI-UHFFFAOYSA-N 0 0 390.656 8.345 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000059299655 519995356 /nfs/dbraw/zinc/99/53/56/519995356.db2.gz JCDQIGVVGKBORW-UHFFFAOYSA-N 0 0 390.652 8.682 50 30 GKEARN CCCCCCCCCCCCCCCCCCNC(=O)N1CCC(C)CC1 ZINC000100971036 519995519 /nfs/dbraw/zinc/99/55/19/519995519.db2.gz DGWRGSWHXJNMPL-UHFFFAOYSA-N 0 0 394.688 7.689 50 30 GKEARN CCCCCCCCCCCCCCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000100969805 519999366 /nfs/dbraw/zinc/99/93/66/519999366.db2.gz HDZUJJZQTUQVFC-UHFFFAOYSA-N 0 0 376.585 7.512 50 30 GKEARN CCCCCCCCCCCCCCCCN(C)C(=S)c1ccccc1 ZINC000101015801 519999769 /nfs/dbraw/zinc/99/97/69/519999769.db2.gz SXLFKAAZTNMUSK-UHFFFAOYSA-N 0 0 375.666 7.775 50 30 GKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1 ZINC000100815748 519999812 /nfs/dbraw/zinc/99/98/12/519999812.db2.gz INIAVPSZLCNJQT-UHFFFAOYSA-N 0 0 396.641 6.028 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(NC(C)=O)cc1 ZINC000100858430 520001928 /nfs/dbraw/zinc/00/19/28/520001928.db2.gz FGXYFSWMXFPKBA-UHFFFAOYSA-N 0 0 375.597 7.505 50 30 GKEARN CCCCCCCCCCCCCCCCSc1ccc(NC(C)=O)cc1 ZINC000101017652 520002995 /nfs/dbraw/zinc/00/29/95/520002995.db2.gz QPYFPCODQHEGBD-UHFFFAOYSA-N 0 0 391.665 8.218 50 30 GKEARN CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC ZINC000100112838 520004803 /nfs/dbraw/zinc/00/48/03/520004803.db2.gz FNMPODAQERUMDD-UHFFFAOYSA-N 0 0 396.700 9.152 50 30 GKEARN CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)OCC(C)(C)N1O ZINC000100406567 520007900 /nfs/dbraw/zinc/00/79/00/520007900.db2.gz XKWHHWBOJRTEHX-HSZRJFAPSA-N 0 0 398.608 6.183 50 30 GKEARN CCCCCCCCCCCCOC(=O)OCCCCCCCCCCCC ZINC000100070062 520011058 /nfs/dbraw/zinc/01/10/58/520011058.db2.gz GOAUNPQUDWQWCP-UHFFFAOYSA-N 0 0 398.672 8.981 50 30 GKEARN CCCCCCCCCCCCOc1ccccc1-c1nc2ccccc2[nH]1 ZINC000100733882 520011856 /nfs/dbraw/zinc/01/18/56/520011856.db2.gz AVDMJKKDJPGBNV-UHFFFAOYSA-N 0 0 378.560 7.530 50 30 GKEARN CCCCCCCCCCCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000050861241 520016200 /nfs/dbraw/zinc/01/62/00/520016200.db2.gz FZDFQZNMIKSABN-UHFFFAOYSA-N 0 0 376.548 6.610 50 30 GKEARN CCCCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 ZINC000100231691 520017847 /nfs/dbraw/zinc/01/78/47/520017847.db2.gz OEFYVGOFLFBOFF-UHFFFAOYSA-N 0 0 378.560 7.146 50 30 GKEARN CCCCCCCCCCCn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000050861324 520018500 /nfs/dbraw/zinc/01/85/00/520018500.db2.gz ROIBTIHWLWIKRK-UHFFFAOYSA-N 0 0 378.560 7.243 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000008403869 520021739 /nfs/dbraw/zinc/02/17/39/520021739.db2.gz DCQFZWMUONTKFL-PMACEKPBSA-N 0 0 390.568 5.847 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000100283791 520023836 /nfs/dbraw/zinc/02/38/36/520023836.db2.gz CBXMGZBDNMPDSM-UHFFFAOYSA-N 0 0 396.575 7.467 50 30 GKEARN CCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000002344266 520030986 /nfs/dbraw/zinc/03/09/86/520030986.db2.gz IRXNTDDNZJEPRL-UHFFFAOYSA-N 0 0 375.516 6.497 50 30 GKEARN CCCCCCCCOC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 ZINC000097998520 520039061 /nfs/dbraw/zinc/03/90/61/520039061.db2.gz FFRZEFYWIIISFV-MRXNPFEDSA-N 0 0 396.535 5.655 50 30 GKEARN CCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000102079635 520039866 /nfs/dbraw/zinc/03/98/66/520039866.db2.gz GWOOLNSSZMGKNS-UHFFFAOYSA-N 0 0 395.930 7.073 50 30 GKEARN CCCCCCCCOc1cc(C=O)c(OCCCCCCCC)cc1C=O ZINC000100313481 520041514 /nfs/dbraw/zinc/04/15/14/520041514.db2.gz HBPJKNOOUOGSOG-UHFFFAOYSA-N 0 0 390.564 6.790 50 30 GKEARN CCCCCCCCOc1ccc(-c2nnc(CCCCCCC)s2)cc1 ZINC000011027083 520041964 /nfs/dbraw/zinc/04/19/64/520041964.db2.gz HQAUWNKCUHZKOE-UHFFFAOYSA-N 0 0 388.621 7.457 50 30 GKEARN CCCCCCCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000103260163 520042054 /nfs/dbraw/zinc/04/20/54/520042054.db2.gz XZBXBDAZLUGVPA-UHFFFAOYSA-N 0 0 382.456 5.611 50 30 GKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3ccccc3)OC2=O)cc1 ZINC000033353249 520044116 /nfs/dbraw/zinc/04/41/16/520044116.db2.gz FLIBMFIXTKUQDH-PYCFMQQDSA-N 0 0 392.499 5.683 50 30 GKEARN CCCCCCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049259 520056082 /nfs/dbraw/zinc/05/60/82/520056082.db2.gz CHJHJDQGNCNSEB-UHFFFAOYSA-N 0 0 398.572 5.805 50 30 GKEARN CCCCCCCNc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000059608113 520060684 /nfs/dbraw/zinc/06/06/84/520060684.db2.gz RYAQFSQIQBXKGL-UHFFFAOYSA-N 0 0 384.549 5.473 50 30 GKEARN CCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cccc12 ZINC000002321940 520061651 /nfs/dbraw/zinc/06/16/51/520061651.db2.gz WCXUEPVTOIGKSS-UHFFFAOYSA-N 0 0 391.511 6.346 50 30 GKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000002062847 520061685 /nfs/dbraw/zinc/06/16/85/520061685.db2.gz MOSKIBAOKQRHQJ-UHFFFAOYSA-N 0 0 399.874 5.268 50 30 GKEARN CCCCCCCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000097959013 520062651 /nfs/dbraw/zinc/06/26/51/520062651.db2.gz FMAHUZQBMYRPCQ-RCCKNPSSSA-N 0 0 381.447 5.519 50 30 GKEARN CCCCCCCOc1ccc(/C=N/c2ccc(CCCCCCC)cc2)cc1 ZINC000100171940 520063438 /nfs/dbraw/zinc/06/34/38/520063438.db2.gz UGRAHPUNPGQELT-WEMUOSSPSA-N 0 0 393.615 8.299 50 30 GKEARN CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OC)cc3)C(=O)O2)cc1 ZINC000100171894 520063599 /nfs/dbraw/zinc/06/35/99/520063599.db2.gz YOWCWWUBIQMPHF-XLNRJJMWSA-N 0 0 393.483 5.389 50 30 GKEARN CCCCCCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 ZINC000098049038 520063921 /nfs/dbraw/zinc/06/39/21/520063921.db2.gz NRBHNCYIGQHJNW-UHFFFAOYSA-N 0 0 378.472 5.943 50 30 GKEARN CCCCCCCOc1ccccc1/C=C1/N=C(c2cccc(Cl)c2)OC1=O ZINC000097957861 520063943 /nfs/dbraw/zinc/06/39/43/520063943.db2.gz SFRWWNJHFMEVIQ-CAPFRKAQSA-N 0 0 397.902 6.034 50 30 GKEARN CCCCCCCOc1cccc(NC[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000100039124 520064099 /nfs/dbraw/zinc/06/40/99/520064099.db2.gz YYIFHWLSOGXYDL-OAQYLSRUSA-N 0 0 397.603 7.213 50 30 GKEARN CCCCCCCOc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 ZINC000097997898 520064762 /nfs/dbraw/zinc/06/47/62/520064762.db2.gz UVBIVEFSOVKTMO-RBDDCPLMSA-N 0 0 389.495 5.937 50 30 GKEARN CCCCCCCSc1ncnc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000097952575 520065361 /nfs/dbraw/zinc/06/53/61/520065361.db2.gz IZFFOQWCMAAXMH-UHFFFAOYSA-N 0 0 399.629 6.914 50 30 GKEARN CCCCCCCOc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951122 520066962 /nfs/dbraw/zinc/06/69/62/520066962.db2.gz CJGLKEOMQKUWPA-UHFFFAOYSA-N 0 0 385.533 5.440 50 30 GKEARN CCCCCCCn1c(C)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000059608091 520071874 /nfs/dbraw/zinc/07/18/74/520071874.db2.gz VZMIUZXPFMWQPE-UHFFFAOYSA-N 0 0 399.560 5.136 50 30 GKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCCC)c1=O ZINC000097954129 520072127 /nfs/dbraw/zinc/07/21/27/520072127.db2.gz XPBBNBGQMQKCHG-UHFFFAOYSA-N 0 0 391.519 5.065 50 30 GKEARN CCCCCCCn1c2ccccc2nc1/N=C(\C)c1cc(Cl)ccc1O ZINC000100700423 520072358 /nfs/dbraw/zinc/07/23/58/520072358.db2.gz XWHGOEGTVQJNQZ-LFVJCYFKSA-N 0 0 383.923 6.506 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000050704981 520072969 /nfs/dbraw/zinc/07/29/69/520072969.db2.gz CIZWPMFFZWPRDR-NRFANRHFSA-N 0 0 376.588 7.357 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000102802396 520077949 /nfs/dbraw/zinc/07/79/49/520077949.db2.gz OSKDUTNDIKWULS-NHFXJNLRSA-N 0 0 397.902 5.342 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102580451 520077962 /nfs/dbraw/zinc/07/79/62/520077962.db2.gz NYCPUYFILNCCLR-MOBKVPTQSA-N 0 0 391.511 5.305 50 30 GKEARN CCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 ZINC000098086190 520102536 /nfs/dbraw/zinc/10/25/36/520102536.db2.gz RNKOEKIXRXJNMK-LGUFXXKBSA-N 0 0 393.527 6.122 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000002795937 520227820 /nfs/dbraw/zinc/22/78/20/520227820.db2.gz TZXXNLOXQXDXPM-QFIPXVFZSA-N 0 0 395.543 5.332 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc2ccccc21 ZINC000019418918 520257671 /nfs/dbraw/zinc/25/76/71/520257671.db2.gz CSNXGZLETIFIIU-UHFFFAOYSA-N 0 0 399.534 5.813 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1coc2ccccc2c1=O ZINC000018143735 520265563 /nfs/dbraw/zinc/26/55/63/520265563.db2.gz WTHWBKYQSVIVNY-JOCHJYFZSA-N 0 0 386.451 5.015 50 30 biogenic GKEARN CCCOc1ccc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)cc1 ZINC000005547980 520325438 /nfs/dbraw/zinc/32/54/38/520325438.db2.gz QCXMBTFKHJEHDY-CYVLTUHYSA-N 0 0 389.476 6.102 50 30 GKEARN CCOC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1OCc1ccccc1 ZINC000004368555 520394185 /nfs/dbraw/zinc/39/41/85/520394185.db2.gz QQRMFMXOYBZZBM-OQKWZONESA-N 0 0 386.447 5.095 50 30 GKEARN CCCOc1ccccc1/C=C1\CC/C(=C/c2ccccc2OCCC)C1=O ZINC000033692315 520472743 /nfs/dbraw/zinc/47/27/43/520472743.db2.gz QVWQOFSDUSHGBP-QGFZOGOGSA-N 0 0 376.496 6.094 50 30 GKEARN CCCC[NH+](CCCC)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000067321399 520496201 /nfs/dbraw/zinc/49/62/01/520496201.db2.gz PURVZUZYHOXVBR-XQNSMLJCSA-N 0 0 383.492 5.453 50 30 GKEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O ZINC000005966395 520517165 /nfs/dbraw/zinc/51/71/65/520517165.db2.gz YUMDPTZMKXHVJL-STZFKDTASA-N 0 0 393.483 5.441 50 30 GKEARN CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1ncc(-c3ccc4ccccc4c3)s1)C2 ZINC000017282429 520639826 /nfs/dbraw/zinc/63/98/26/520639826.db2.gz OLJYBWWEEIPPRM-VAXIOIRYSA-N 0 0 375.541 6.577 50 30 GKEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020647074 520742404 /nfs/dbraw/zinc/74/24/04/520742404.db2.gz WPGRHIFPVZLYIY-JLPGSUDCSA-N 0 0 399.490 5.517 50 30 GKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000019972805 520819408 /nfs/dbraw/zinc/81/94/08/520819408.db2.gz GUCJYSBJLHVHEJ-JOCHJYFZSA-N 0 0 397.490 5.060 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019536374 520820637 /nfs/dbraw/zinc/82/06/37/520820637.db2.gz WXMVYRLDNCUEAL-NRFANRHFSA-N 0 0 399.918 5.184 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867310 520820832 /nfs/dbraw/zinc/82/08/32/520820832.db2.gz WQMWRUGWDHFGSC-NRFANRHFSA-N 0 0 399.556 5.228 50 30 GKEARN CCOc1ccc(C=C2SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1OC ZINC000006554490 520849084 /nfs/dbraw/zinc/84/90/84/520849084.db2.gz YPAGLBUYFMOAEQ-UNOMPAQXSA-N 0 0 382.485 5.443 50 30 GKEARN CCOc1ccc(/N=C(\Oc2cccc(Cl)c2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103749764 520858593 /nfs/dbraw/zinc/85/85/93/520858593.db2.gz ZPMBQGSMOVMQML-LNVKXUELSA-N 0 0 396.830 5.804 50 30 GKEARN CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc1 ZINC000013301444 520879647 /nfs/dbraw/zinc/87/96/47/520879647.db2.gz CBVMXZLBCNJUIC-QGOAFFKASA-N 0 0 385.920 5.078 50 30 GKEARN CCOc1ccc(NC(=NC#N)SCc2ccccc2C(F)(F)F)cc1 ZINC000013563042 521029778 /nfs/dbraw/zinc/02/97/78/521029778.db2.gz ZPSKJKMCCNNYDV-UHFFFAOYSA-N 0 0 379.407 5.286 50 30 GKEARN CCOc1ccc(NC(=Nc2n[nH]c(C)c2-c2ccccc2F)SC)cc1 ZINC000020440182 521032501 /nfs/dbraw/zinc/03/25/01/521032501.db2.gz BEAUEBBNIFKMIE-UHFFFAOYSA-N 0 0 384.480 5.386 50 30 GKEARN N#CC(=NNc1cccc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000033860150 534542560 /nfs/dbraw/zinc/54/25/60/534542560.db2.gz JTCDQTFDCAUVLF-BUVRLJJBSA-N 0 0 391.258 5.596 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000021722402 521166306 /nfs/dbraw/zinc/16/63/06/521166306.db2.gz BJNVBMHFWMJYEZ-DEOSSOPVSA-N 0 0 388.511 5.548 50 30 GKEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020617813 521168652 /nfs/dbraw/zinc/16/86/52/521168652.db2.gz HEIPJRLDXVSPHV-UWJYYQICSA-N 0 0 385.548 5.485 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O ZINC000005093463 521254113 /nfs/dbraw/zinc/25/41/13/521254113.db2.gz ISUKVHSUZDVZOS-UAQCVPFCSA-N 0 0 385.558 5.081 50 30 GKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000034388913 521255106 /nfs/dbraw/zinc/25/51/06/521255106.db2.gz IRFCVDGQBCNITL-VAVHGKRESA-N 0 0 397.519 5.077 50 30 GKEARN CCCCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000100384406 521269427 /nfs/dbraw/zinc/26/94/27/521269427.db2.gz GZUOLSIEJAWUKS-WPWMEQJKSA-N 0 0 391.486 6.507 50 30 GKEARN CCOc1ccc2nc(S/C=C/C(=O)c3ccc(Cl)cc3)sc2c1 ZINC000001036786 521306020 /nfs/dbraw/zinc/30/60/20/521306020.db2.gz KOAFMHIBHLVYMV-MDZDMXLPSA-N 0 0 375.902 5.837 50 30 GKEARN CCOc1cccc(/C=N/c2cccc(-c3nc4cc(CC)ccc4o3)c2)c1O ZINC000004677173 521318046 /nfs/dbraw/zinc/31/80/46/521318046.db2.gz DDMDWNZCZSYNCU-MFKUBSTISA-N 0 0 386.451 5.912 50 30 GKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccccc1F)C(=O)c1ccccc1-2 ZINC000100752537 521401746 /nfs/dbraw/zinc/40/17/46/521401746.db2.gz UAHJGOOCMOKOIS-VBKFSLOCSA-N 0 0 391.398 5.220 50 30 GKEARN CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cccc(Cl)c1C ZINC000017167666 521514531 /nfs/dbraw/zinc/51/45/31/521514531.db2.gz WUUBSFGSGJWHLX-YVDNFKOMSA-N 0 0 382.916 5.829 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1OCC)O2 ZINC000020647283 521647843 /nfs/dbraw/zinc/64/78/43/521647843.db2.gz AJQRVJWBVAKTAL-JCMHNJIXSA-N 0 0 395.499 5.029 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2 ZINC000020647778 521649314 /nfs/dbraw/zinc/64/93/14/521649314.db2.gz OLZKXKQHUCMHPA-HYARGMPZSA-N 0 0 391.467 5.377 50 30 GKEARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C/C(=O)C(Cl)(Cl)Cl ZINC000102933630 521730792 /nfs/dbraw/zinc/73/07/92/521730792.db2.gz FLRUEXUFMPRZOI-PTNGSMBKSA-N 0 0 382.718 5.781 50 30 GKEARN CCN1c2ccccc2S/C1=C\C(=O)/C=C1\Sc2ccccc2N1CC ZINC000038175515 521730931 /nfs/dbraw/zinc/73/09/31/521730931.db2.gz KNYVRTQJGWFXJJ-NMGXZBPKSA-N 0 0 380.538 5.503 50 30 GKEARN CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000021722451 521730983 /nfs/dbraw/zinc/73/09/83/521730983.db2.gz HZYHHNHWMRSWLX-QHCPKHFHSA-N 0 0 376.500 5.332 50 30 GKEARN COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1O ZINC000013137525 521938142 /nfs/dbraw/zinc/93/81/42/521938142.db2.gz BIEWGRVKIRIVJZ-RUDMXATFSA-N 0 0 375.262 5.183 50 30 GKEARN COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033379603 521949198 /nfs/dbraw/zinc/94/91/98/521949198.db2.gz RZDRNZKYDOIDPP-UNOMPAQXSA-N 0 0 390.866 5.750 50 30 GKEARN COc1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1O ZINC000033751113 521982888 /nfs/dbraw/zinc/98/28/88/521982888.db2.gz LYBZVPQWRCCIDH-YHYXMXQVSA-N 0 0 389.289 5.357 50 30 GKEARN COc1cc(/C=N/c2ccc(Oc3ccc(Cl)cc3)cc2)cc(OC)c1OC ZINC000018091260 521997924 /nfs/dbraw/zinc/99/79/24/521997924.db2.gz LUPCNUAZLWDJDU-ZVHZXABRSA-N 0 0 397.858 5.909 50 30 GKEARN COc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1ccco1 ZINC000102417347 522013381 /nfs/dbraw/zinc/01/33/81/522013381.db2.gz SUUANSPOIUROIG-CIAFOILYSA-N 0 0 399.244 5.054 50 30 GKEARN CN(C)c1ccc(/C=C(\C(=O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000013801140 522127032 /nfs/dbraw/zinc/12/70/32/522127032.db2.gz CCDHKARHFUVBEA-YBFXNURJSA-N 0 0 386.282 5.137 50 30 GKEARN CN(C)c1ccc(C=NNC(=Nc2ccccc2)c2ccc3ccccc3n2)cc1 ZINC000006393195 522132660 /nfs/dbraw/zinc/13/26/60/522132660.db2.gz DRUNSDQZZMOASP-NLRVBDNBSA-N 0 0 393.494 5.194 50 30 GKEARN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238227 522403513 /nfs/dbraw/zinc/40/35/13/522403513.db2.gz WHFJSQBRDZYRDD-QFIPXVFZSA-N 0 0 379.479 5.030 50 30 GKEARN CN(CCN(C)/N=C/c1cccc2ccccc12)/N=C/c1cccc2ccccc12 ZINC000002899620 522807579 /nfs/dbraw/zinc/80/75/79/522807579.db2.gz XSBOGKVBQVODDT-MKYUKRCKSA-N 0 0 394.522 5.225 50 30 GKEARN COc1ccc(-c2coc3cc(OCCCC(C)(C)C#N)ccc3c2=O)cc1 ZINC000095457392 523156418 /nfs/dbraw/zinc/15/64/18/523156418.db2.gz FBYGWMVPTBNPEV-UHFFFAOYSA-N 0 0 377.440 5.177 50 30 GKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000033424229 523239430 /nfs/dbraw/zinc/23/94/30/523239430.db2.gz MRERAJWRTLAZJW-LFIBNONCSA-N 0 0 398.437 5.583 50 30 GKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(F)cc2)cc1 ZINC000004725270 523241941 /nfs/dbraw/zinc/24/19/41/523241941.db2.gz MRERAJWRTLAZJW-WJDWOHSUSA-N 0 0 398.437 5.583 50 30 GKEARN COc1ccc(/C=C(/C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000032709497 523381268 /nfs/dbraw/zinc/38/12/68/523381268.db2.gz VLRNRDXNRYGGRY-HKWRFOASSA-N 0 0 385.419 5.269 50 30 GKEARN COc1ccc(/C=C/C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000002257299 523386161 /nfs/dbraw/zinc/38/61/61/523386161.db2.gz RPYXTXTWHYNJBZ-YYSDWVBWSA-N 0 0 391.898 6.174 50 30 GKEARN COc1ccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 ZINC000096315745 523432227 /nfs/dbraw/zinc/43/22/27/523432227.db2.gz SFLGQYHVCCJNFC-VKAVYKQESA-N 0 0 379.459 6.115 50 30 GKEARN COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004027129 523437487 /nfs/dbraw/zinc/43/74/87/523437487.db2.gz NATKEWUCHCEYAD-WDTPLJCLSA-N 0 0 395.543 5.502 50 30 biogenic GKEARN COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004027131 523438208 /nfs/dbraw/zinc/43/82/08/523438208.db2.gz NATKEWUCHCEYAD-PLSKTMPKSA-N 0 0 395.543 5.502 50 30 biogenic GKEARN COc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000001015500 523535533 /nfs/dbraw/zinc/53/55/33/523535533.db2.gz GLPFKDSABFADSV-BQYQJAHWSA-N 0 0 385.769 5.185 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000004725281 523538664 /nfs/dbraw/zinc/53/86/64/523538664.db2.gz MEMNELPQBCAPIG-JXMROGBWSA-N 0 0 383.787 5.413 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1 ZINC000005165271 523539383 /nfs/dbraw/zinc/53/93/83/523539383.db2.gz JCNPCLFQUREDDI-CXUHLZMHSA-N 0 0 382.463 5.206 50 30 GKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000005670384 523544869 /nfs/dbraw/zinc/54/48/69/523544869.db2.gz OAANGLUEPJCFPT-KAMYIIQDSA-N 0 0 386.476 5.506 50 30 GKEARN CCc1cc(Br)cc2c1NC(=O)/C2=N\c1cccc2ccccc21 ZINC000013856034 523745232 /nfs/dbraw/zinc/74/52/32/523745232.db2.gz CSXQHMGSUCORCE-UHFFFAOYSA-N 0 0 379.257 5.238 50 30 GKEARN CN(/N=C\c1cccc(Cl)c1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032691018 523771330 /nfs/dbraw/zinc/77/13/30/523771330.db2.gz GHHYGXXLBBFRSO-ONUIUJJFSA-N 0 0 398.897 5.934 50 30 GKEARN COc1ccc(C(=O)Oc2ccc(C)cc2C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000004279033 523773494 /nfs/dbraw/zinc/77/34/94/523773494.db2.gz ZAGFEZPJFLCWKF-AWNIVKPZSA-N 0 0 390.410 5.258 50 30 GKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 ZINC000012662874 523774273 /nfs/dbraw/zinc/77/42/73/523774273.db2.gz IIBQFFHPXRVWFA-UPFJJGCZSA-N 0 0 398.414 5.087 50 30 biogenic GKEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccccc2)cc1 ZINC000006982471 523860880 /nfs/dbraw/zinc/86/08/80/523860880.db2.gz QTMXYODGYLTWHV-ISLYRVAYSA-N 0 0 378.475 5.998 50 30 GKEARN CCc1ccc(C(C)N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000004947337 523870817 /nfs/dbraw/zinc/87/08/17/523870817.db2.gz JBLRPODJMBIXKC-VUTHCHCSSA-N 0 0 392.506 6.209 50 30 GKEARN CCc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C)cc1 ZINC000101506679 523874846 /nfs/dbraw/zinc/87/48/46/523874846.db2.gz IOMXWQAXWSZBJD-NZQUJZJYSA-N 0 0 391.323 5.790 50 30 GKEARN CN(C)/C=C1\C(=O)c2c(cccc2Oc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000100255313 523968487 /nfs/dbraw/zinc/96/84/87/523968487.db2.gz NNZGDVKPEFXOMU-BARSGRSVSA-N 0 0 389.882 5.906 50 30 GKEARN Cc1cccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 ZINC000100501558 524120531 /nfs/dbraw/zinc/12/05/31/524120531.db2.gz RSJDMDMCGCOPMH-NTJMOUOKSA-N 0 0 383.407 6.127 50 30 GKEARN COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(Br)cc2)o1 ZINC000004994977 524270093 /nfs/dbraw/zinc/27/00/93/524270093.db2.gz MAEQNTXYRMCIDG-ZRDIBKRKSA-N 0 0 383.241 5.614 50 30 GKEARN COc1ccccc1/C=C1\CC(C(C)(C)C)C/C(=C\c2ccccc2OC)C1=O ZINC000017111969 524321346 /nfs/dbraw/zinc/32/13/46/524321346.db2.gz OKTVPYPAHDZGIJ-OZNQKUEASA-N 0 0 390.523 6.196 50 30 GKEARN COc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004409916 524326286 /nfs/dbraw/zinc/32/62/86/524326286.db2.gz XSXYSYZQQWSSLD-VXLYETTFSA-N 0 0 388.290 5.027 50 30 GKEARN Cc1cccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 ZINC000004024642 524445263 /nfs/dbraw/zinc/44/52/63/524445263.db2.gz SJRTZWLBIYLPGL-ZMOGYAJESA-N 0 0 375.859 5.514 50 30 GKEARN Cc1cccc(N2C(=S)N=C(Nc3ccccc3)[C@@]23CCOC(C)(C)C3)c1 ZINC000013774621 524535683 /nfs/dbraw/zinc/53/56/83/524535683.db2.gz JWLKSHHTMJWYLD-QFIPXVFZSA-N 0 0 379.529 5.159 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000001833991 534818641 /nfs/dbraw/zinc/81/86/41/534818641.db2.gz MABMOATWALFBKO-ZHZULCJRSA-N 0 0 389.838 5.264 50 30 GKEARN Cc1cccc2cc(/C=C\C(=O)c3ccc(Br)cc3)c(Cl)nc12 ZINC000035386564 524969400 /nfs/dbraw/zinc/96/94/00/524969400.db2.gz PDIGXXGWSJSGOY-YFHOEESVSA-N 0 0 386.676 5.855 50 30 GKEARN Cc1ccccc1-c1nc2ccc(/N=C/c3ccc(Br)cc3)cc2o1 ZINC000098086896 525013288 /nfs/dbraw/zinc/01/32/88/525013288.db2.gz QZJGGOMFEXBIRF-YDZHTSKRSA-N 0 0 391.268 6.316 50 30 GKEARN Cc1ccc(NC(=O)CSc2ccc(/N=C/c3ccccc3O)cc2)cc1C ZINC000100102368 525076010 /nfs/dbraw/zinc/07/60/10/525076010.db2.gz MCIAODXGSVFCRQ-ZVHZXABRSA-N 0 0 390.508 5.490 50 30 GKEARN COc1ccc([C@@H]2CCCN2C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1 ZINC000328595985 525247339 /nfs/dbraw/zinc/24/73/39/525247339.db2.gz MIROIKDZAIHYLB-IBGZPJMESA-N 0 0 397.500 5.411 50 30 GKEARN COc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 ZINC000005527070 525261277 /nfs/dbraw/zinc/26/12/77/525261277.db2.gz JSQYHPONISJPOF-SJYAKKJOSA-N 0 0 377.465 5.122 50 30 GKEARN Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/c2ccc(Cl)cc2)cc1 ZINC000102303252 525329694 /nfs/dbraw/zinc/32/96/94/525329694.db2.gz IODMVKGXXYKLFG-ZVHZXABRSA-N 0 0 388.858 5.151 50 30 GKEARN CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCC2)N1c1ccccc1C ZINC000017241849 525342319 /nfs/dbraw/zinc/34/23/19/525342319.db2.gz MLAAKRBKGDVABJ-NMWGTECJSA-N 0 0 383.948 6.230 50 30 GKEARN CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCC2)N1c1cccc(C)c1 ZINC000017241852 525342980 /nfs/dbraw/zinc/34/29/80/525342980.db2.gz QQFDQMMJEUGSHT-NMWGTECJSA-N 0 0 383.948 6.230 50 30 GKEARN Cc1ccc(OC(=O)c2ccc(F)cc2)c(C(=O)/C=C/c2ccccc2F)c1 ZINC000004279041 525367245 /nfs/dbraw/zinc/36/72/45/525367245.db2.gz CTSVPZPIAPRDCY-FMIVXFBMSA-N 0 0 378.374 5.389 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000018123015 525398777 /nfs/dbraw/zinc/39/87/77/525398777.db2.gz LVFBSAHSTUIEHZ-NIYFSFCBSA-N 0 0 396.490 5.675 50 30 GKEARN Cc1cccn2c(/C=N/OC(=O)c3cccs3)c(-c3ccc(Cl)cc3)nc12 ZINC000001402730 525453304 /nfs/dbraw/zinc/45/33/04/525453304.db2.gz OLGCZCAQTPBRIY-WSDLNYQXSA-N 0 0 395.871 5.216 50 30 GKEARN Cc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc(C)c1O ZINC000019569938 525486579 /nfs/dbraw/zinc/48/65/79/525486579.db2.gz KREDMCGDINHIFH-IFMALSPDSA-N 0 0 399.490 5.051 50 30 GKEARN COc1ccc2c(c1)CC/C(=C\c1ccc(OCCC(C)C)c(OC)c1)C2=O ZINC000004826070 525511338 /nfs/dbraw/zinc/51/13/38/525511338.db2.gz FTDWWBXQQGMSPR-CPNJWEJPSA-N 0 0 380.484 5.341 50 30 GKEARN Cc1c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cnn1C ZINC000253508371 525520357 /nfs/dbraw/zinc/52/03/57/525520357.db2.gz FHBPPNPYHCJYHP-NKMPTZFRSA-N 0 0 380.576 5.724 50 30 GKEARN Cc1c(C)c(C)c(C(=O)CCc2cccc(/N=C/c3cccs3)c2)c(C)c1C ZINC000004322423 525673476 /nfs/dbraw/zinc/67/34/76/525673476.db2.gz TUJIHRIOMJIEGR-CVKSISIWSA-N 0 0 389.564 6.856 50 30 GKEARN COc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O ZINC000102419356 525776378 /nfs/dbraw/zinc/77/63/78/525776378.db2.gz JZKAQJRYLLFWLV-ZVHZXABRSA-N 0 0 386.407 5.150 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O ZINC000013787195 525815656 /nfs/dbraw/zinc/81/56/56/525815656.db2.gz VHPOMJVJUROBNV-VSYZJNMKSA-N 0 0 388.444 5.292 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O ZINC000013758663 525816779 /nfs/dbraw/zinc/81/67/79/525816779.db2.gz LNCNNTMCZHVRFT-ODLFYWEKSA-N 0 0 393.420 5.160 50 30 GKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000100524159 525823496 /nfs/dbraw/zinc/82/34/96/525823496.db2.gz YBVQUADAQOLARY-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(Cl)cc2)o1 ZINC000033907354 525839763 /nfs/dbraw/zinc/83/97/63/525839763.db2.gz FGDGRPNXDKNZDB-RAXLEYEMSA-N 0 0 388.854 5.990 50 30 GKEARN Cc1ccc([C@@H]2C[C@@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005617811 525847244 /nfs/dbraw/zinc/84/72/44/525847244.db2.gz OJHCWLGHNUBRQP-WNMHCLEYSA-N 0 0 377.434 5.998 50 30 GKEARN COc1cccc(CN=C2Nc3cc(C)c(C)cc3NC23CCCCCC3)c1 ZINC000046153075 525847912 /nfs/dbraw/zinc/84/79/12/525847912.db2.gz JDRHLCICAPRDSB-UHFFFAOYSA-N 0 0 377.532 5.841 50 30 biogenic GKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccs1)C2=O ZINC000253498820 525914359 /nfs/dbraw/zinc/91/43/59/525914359.db2.gz IWWSCPLMANPYFX-KDJYHISNSA-N 0 0 382.569 5.634 50 30 GKEARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)C=CNc1ccc(Cl)cc1 ZINC000100096489 525916756 /nfs/dbraw/zinc/91/67/56/525916756.db2.gz MIGPSMVPSKDBFH-FIFPYPGSSA-N 0 0 395.861 6.108 50 30 GKEARN Cc1ccc(C(=NS(=O)(=O)c2ccc(Cl)cc2)Nc2ccccc2C)cc1 ZINC000012562509 525938573 /nfs/dbraw/zinc/93/85/73/525938573.db2.gz OOOCBYZTBKURRS-UHFFFAOYSA-N 0 0 398.915 5.204 50 30 GKEARN CSc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000016952954 525948513 /nfs/dbraw/zinc/94/85/13/525948513.db2.gz MZWLWOCKZOXMAV-BKHHGCLFSA-N 0 0 381.566 5.112 50 30 GKEARN CSc1ccc(/C=C/C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000004839156 525949471 /nfs/dbraw/zinc/94/94/71/525949471.db2.gz AARQYNJWUDUSGE-FMIVXFBMSA-N 0 0 379.506 5.618 50 30 GKEARN CSc1ccc(/C=C2\CN(C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000017188331 525951423 /nfs/dbraw/zinc/95/14/23/525951423.db2.gz MZWLWOCKZOXMAV-MGYAYREDSA-N 0 0 381.566 5.112 50 30 GKEARN Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)o1 ZINC000013786987 525960539 /nfs/dbraw/zinc/96/05/39/525960539.db2.gz DFKXTRHTLFPZIM-NHDPSOOVSA-N 0 0 394.810 5.119 50 30 GKEARN Cc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000004478012 525963435 /nfs/dbraw/zinc/96/34/35/525963435.db2.gz QJSWJKXVJYYBKO-LFVJCYFKSA-N 0 0 395.470 5.113 50 30 GKEARN Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000005753138 526014801 /nfs/dbraw/zinc/01/48/01/526014801.db2.gz CSMBMRUIOABLIY-WUKNDPDISA-N 0 0 378.475 6.052 50 30 GKEARN Cc1ccc(C(=O)Cn2c3ccccc3nc2C(=O)C=Cc2ccccc2)cc1 ZINC000004419812 526052086 /nfs/dbraw/zinc/05/20/86/526052086.db2.gz URNRXQBYTUFKOE-DTQAZKPQSA-N 0 0 380.447 5.124 50 30 aggregator GKEARN Cc1ccc2c(c1)C(=C1SC(=Nc3cccc(Cl)c3C)NC1=O)C(=O)N2C ZINC000018066100 526137182 /nfs/dbraw/zinc/13/71/82/526137182.db2.gz CDMDAYBJDHRMFA-MSUUIHNZSA-N 0 0 397.887 5.035 50 30 GKEARN C[C@H]1CC(=NNc2ccc(Br)cc2)c2cc(Cl)ccc2S1 ZINC000013468897 526209457 /nfs/dbraw/zinc/20/94/57/526209457.db2.gz JODKQJIBGJIJGN-FRKRDKNOSA-N 0 0 381.726 5.803 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(/C=C3/Oc4ccc(Cl)cc4C3=O)cc2)cc1 ZINC000016806170 526238067 /nfs/dbraw/zinc/23/80/67/526238067.db2.gz ODKCFPARFYITJZ-CIAFOILYSA-N 0 0 390.822 5.484 50 30 biogenic,in-vitro GKEARN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)cc1 ZINC000003112621 526238394 /nfs/dbraw/zinc/23/83/94/526238394.db2.gz FYJMDQRTXLTLKV-OGLMXYFKSA-N 0 0 393.486 6.735 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4ccccc4[N+](=O)[O-])c3)oc2c1 ZINC000100511273 526241421 /nfs/dbraw/zinc/24/14/21/526241421.db2.gz ZHZKBLXVSWRANM-NAHLOZMDSA-N 0 0 397.434 6.436 50 30 GKEARN Cc1ccc2[nH]c(=NN=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000098086927 526251391 /nfs/dbraw/zinc/25/13/91/526251391.db2.gz OELRFAXJMSPDJH-JAIQZWGSSA-N 0 0 378.413 5.219 50 30 GKEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647372 526251743 /nfs/dbraw/zinc/25/17/43/526251743.db2.gz BCLDHZFTYVFEKU-PXNCGERRSA-N 0 0 389.451 5.129 50 30 biogenic GKEARN Oc1ccc(O)c(-c2csc(N=NC(c3ccccc3)c3ccccc3)n2)c1 ZINC000004811753 526351607 /nfs/dbraw/zinc/35/16/07/526351607.db2.gz VVZCRFNANSENBM-UHFFFAOYSA-N 0 0 387.464 5.086 50 30 GKEARN Oc1ccccc1/C=N/[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000103547541 526370606 /nfs/dbraw/zinc/37/06/06/526370606.db2.gz NUGMMURPTOZEGE-FTJHDQQKSA-N 0 0 393.486 5.489 50 30 GKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)CC(C)C ZINC000036106146 526380219 /nfs/dbraw/zinc/38/02/19/526380219.db2.gz QGCMODLEQRQJMA-UHFFFAOYSA-N 0 0 386.561 5.208 50 30 GKEARN O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000006223266 526414667 /nfs/dbraw/zinc/41/46/67/526414667.db2.gz LVEYJTCEKJUCDW-VULFUBBASA-N 0 0 399.368 5.475 50 30 GKEARN O=C(O/N=C/c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003016039 526414863 /nfs/dbraw/zinc/41/48/63/526414863.db2.gz ATMAUTKGCPGWCK-LPYMAVHISA-N 0 0 396.786 5.231 50 30 GKEARN O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1cccc2ccccc21 ZINC000003112562 526439732 /nfs/dbraw/zinc/43/97/32/526439732.db2.gz BIVJORJZPGIARV-WGOQTCKBSA-N 0 0 385.850 6.463 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)c1cccs1 ZINC000002344888 526443229 /nfs/dbraw/zinc/44/32/29/526443229.db2.gz XVQPEMIFXVEIEO-YVLHZVERSA-N 0 0 382.824 5.237 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(Cl)cc1 ZINC000005577114 526443533 /nfs/dbraw/zinc/44/35/33/526443533.db2.gz DODAIMKJIRVYQV-JAIQZWGSSA-N 0 0 394.785 5.315 50 30 GKEARN N#CCN(Cc1ccccc1)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000060020197 526472151 /nfs/dbraw/zinc/47/21/51/526472151.db2.gz JIGVQGVJHVUGLO-UHFFFAOYSA-N 0 0 375.280 5.374 50 30 GKEARN N#CCSc1ccccc1NC(=O)CSc1c(Cl)cccc1Cl ZINC000005038167 526478803 /nfs/dbraw/zinc/47/88/03/526478803.db2.gz SOBYDONGVGVACW-UHFFFAOYSA-N 0 0 383.325 5.340 50 30 GKEARN N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000095465132 526483024 /nfs/dbraw/zinc/48/30/24/526483024.db2.gz BWWGEWCVJYNQOR-QZTJIDSGSA-N 0 0 392.890 5.195 50 30 GKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000006831586 526495782 /nfs/dbraw/zinc/49/57/82/526495782.db2.gz NUQCPSJTBJBISO-OAQYLSRUSA-N 0 0 382.492 5.161 50 30 GKEARN N#C[C@H](CNc1ccc(NC[C@@H](C#N)c2cccs2)cc1)c1cccs1 ZINC000025763238 526508531 /nfs/dbraw/zinc/50/85/31/526508531.db2.gz ZMIQCZRHVKQHDD-HZPDHXFCSA-N 0 0 378.526 5.248 50 30 GKEARN N#Cc1c2c(sc1/N=C/N(Cc1ccccc1)Cc1ccccc1)CCCCC2 ZINC000002228175 526532561 /nfs/dbraw/zinc/53/25/61/526532561.db2.gz ZKYCUXHBJUVCNS-ZXVVBBHZSA-N 0 0 399.563 6.251 50 30 GKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000043798960 526572196 /nfs/dbraw/zinc/57/21/96/526572196.db2.gz WWMOSSKAQFREOJ-DHZHZOJOSA-N 0 0 384.844 5.576 50 30 GKEARN N#Cc1ccc(/C=N/c2ccc(Cl)cc2Cl)nc1SCc1ccccc1 ZINC000004394610 526585294 /nfs/dbraw/zinc/58/52/94/526585294.db2.gz IUGUTFCBOAMNFN-WYMPLXKRSA-N 0 0 398.318 6.303 50 30 GKEARN Cc1nc(/C=C/c2cccc(C#N)c2)sc1C(=O)/C=C\c1cccc(C#N)c1 ZINC000096402177 526628068 /nfs/dbraw/zinc/62/80/68/526628068.db2.gz WFJGFTZVNVGONM-PNQPDEHRSA-N 0 0 381.460 5.261 50 30 GKEARN Cc1noc2c1[C@H](c1ccccc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052033 526676275 /nfs/dbraw/zinc/67/62/75/526676275.db2.gz XBXZXQDLYDPZGM-KKSFZXQISA-N 0 0 390.870 5.595 50 30 GKEARN N#Cc1cccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3cccc(C#N)c3)c2)c1 ZINC000096130145 526696399 /nfs/dbraw/zinc/69/63/99/526696399.db2.gz BATGPFFYYHXOHJ-MIMPSMLTSA-N 0 0 388.426 5.222 50 30 GKEARN N#Cc1cccc(C(=O)/C=C/c2ccc(/C=C\C(=O)c3cccc(C#N)c3)cc2)c1 ZINC000096297957 526696887 /nfs/dbraw/zinc/69/68/87/526696887.db2.gz UBTXMIPXDVKZMO-HEEUSZRZSA-N 0 0 388.426 5.222 50 30 GKEARN N#Cc1cccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3cccc(C#N)c3)c2)c1 ZINC000059270248 526697155 /nfs/dbraw/zinc/69/71/55/526697155.db2.gz BATGPFFYYHXOHJ-DCIPZJNNSA-N 0 0 388.426 5.222 50 30 GKEARN CC(C)(C)c1cc(O)c(C=NNc2cccc3cccnc32)c(C(C)(C)C)c1 ZINC000009426235 526759014 /nfs/dbraw/zinc/75/90/14/526759014.db2.gz BZGFOTCNZKAUFP-CVKSISIWSA-N 0 0 375.516 5.981 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1 ZINC000006810627 526836587 /nfs/dbraw/zinc/83/65/87/526836587.db2.gz LGKFKBZQZMLEGA-UHFFFAOYSA-N 0 0 381.859 5.340 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4OC)csc32)cc1 ZINC000021157707 526895061 /nfs/dbraw/zinc/89/50/61/526895061.db2.gz XKBNXUFRPJEMDV-SFHVURJKSA-N 0 0 391.492 5.463 50 30 GKEARN Cc1sc2ncnc(N=NCc3ccc(OCc4ccccc4)cc3)c2c1C ZINC000004679522 526899072 /nfs/dbraw/zinc/89/90/72/526899072.db2.gz BBHYJAMFHISEKF-BRJLIKDPSA-N 0 0 388.496 5.333 50 30 GKEARN Clc1ccc(-c2csc(N=NCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000016977729 526932798 /nfs/dbraw/zinc/93/27/98/526932798.db2.gz OKCPVQKYKQFHQX-DNTJNYDQSA-N 0 0 382.703 5.638 50 30 GKEARN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000100398794 526939947 /nfs/dbraw/zinc/93/99/47/526939947.db2.gz NQJNDERQZNNGKK-PRMAFZJDSA-N 0 0 396.943 6.277 50 30 GKEARN O=C1/C(=C/c2ccccc2Cl)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100389538 526942661 /nfs/dbraw/zinc/94/26/61/526942661.db2.gz VUAZIAQMHKSEQZ-QUUARBKMSA-N 0 0 382.916 5.887 50 30 GKEARN Clc1ccc(N2CCN(/N=C/c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000002210389 526956428 /nfs/dbraw/zinc/95/64/28/526956428.db2.gz CATXEEOUTZJIKR-XIEYBQDHSA-N 0 0 391.902 5.288 50 30 GKEARN Clc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004977341 526988011 /nfs/dbraw/zinc/98/80/11/526988011.db2.gz FAMKOSFTFQJIFQ-XYGWBWBKSA-N 0 0 384.870 5.910 50 30 GKEARN Clc1ccccc1CN1CCN(/N=C/c2ccc(-c3ccccc3)cc2)CC1 ZINC000019799441 526988061 /nfs/dbraw/zinc/98/80/61/526988061.db2.gz XXQKTNITRKQVQE-NLRVBDNBSA-N 0 0 389.930 5.159 50 30 GKEARN Clc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000004675352 526992808 /nfs/dbraw/zinc/99/28/08/526992808.db2.gz MASVKEHEYVZCNN-KOEQRZSOSA-N 0 0 392.886 5.720 50 30 GKEARN O=C(CSC1=CC(=O)C[C@@H](c2ccccc2)S1)Nc1ccc(Cl)cc1 ZINC000001038240 527011094 /nfs/dbraw/zinc/01/10/94/527011094.db2.gz WQZFVAJSHSVGSF-KRWDZBQOSA-N 0 0 389.929 5.300 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000651667 527024335 /nfs/dbraw/zinc/02/43/35/527024335.db2.gz GCPKPCZKYFAWCT-WNSKOXEYSA-N 0 0 388.492 5.433 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012376591 527098820 /nfs/dbraw/zinc/09/88/20/527098820.db2.gz CBVPXGDNPMAFOR-PTNGSMBKSA-N 0 0 384.218 5.598 50 30 GKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004954254 527103609 /nfs/dbraw/zinc/10/36/09/527103609.db2.gz BRFIHSDJNMEDDF-ZSOIEALJSA-N 0 0 390.873 5.152 50 30 GKEARN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000006567057 527117945 /nfs/dbraw/zinc/11/79/45/527117945.db2.gz QRPPVVILVWRKMT-WMZHIEFXSA-N 0 0 397.503 5.283 50 30 GKEARN O=C1c2ccccc2C(=O)C1=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000100406860 527128126 /nfs/dbraw/zinc/12/81/26/527128126.db2.gz BIDCPHJNRBEJQX-OOAXWGSJSA-N 0 0 393.364 5.522 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccccc1OC(F)F ZINC000035609995 527135793 /nfs/dbraw/zinc/13/57/93/527135793.db2.gz LWDFJZSOZBFKDJ-OVWUPXBPSA-N 0 0 378.374 5.688 50 30 GKEARN Cn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 ZINC000028182495 527145435 /nfs/dbraw/zinc/14/54/35/527145435.db2.gz IEZASMWCAHFEIV-MSXFZWOLSA-N 0 0 399.421 5.513 50 30 GKEARN C=CCn1c(=O)c2c3c(sc2nc1SC/C=C/c1ccccc1)CCCC3 ZINC000002447988 527285119 /nfs/dbraw/zinc/28/51/19/527285119.db2.gz AVTCPAOLXVCBTJ-DHZHZOJOSA-N 0 0 394.565 5.328 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC2CCCC[C@@H]2C2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000016994642 527359309 /nfs/dbraw/zinc/35/93/09/527359309.db2.gz SYOPKFDQKDNDNO-STIUTOJCSA-N 0 0 388.468 5.822 50 30 GKEARN O=C(N/C(=N\N=C1CCCCC1)SCc1ccccc1)Nc1ccccc1 ZINC000004377724 527434654 /nfs/dbraw/zinc/43/46/54/527434654.db2.gz SDCRIBKCAVMJSU-UHFFFAOYSA-N 0 0 380.517 5.418 50 30 GKEARN Cn1ccnc1COc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000059324434 527437438 /nfs/dbraw/zinc/43/74/38/527437438.db2.gz DKKIAUNVCZCUBW-MDZDMXLPSA-N 0 0 387.266 5.202 50 30 GKEARN C(=Nc1ccc(N=Nc2ccccc2)cc1)c1c2ccccc2cc2ccccc21 ZINC000254509331 527475510 /nfs/dbraw/zinc/47/55/10/527475510.db2.gz FEHMVYCMCCHJNH-UHFFFAOYSA-N 0 0 385.470 8.159 50 30 GKEARN O=C1NC(=Nc2cccc(F)c2)C(=Cc2cccc(Oc3ncccn3)c2)S1 ZINC000095474705 527515395 /nfs/dbraw/zinc/51/53/95/527515395.db2.gz JPHKCDWABNBNGL-GZTJUZNOSA-N 0 0 392.415 5.140 50 30 GKEARN O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004676038 527598021 /nfs/dbraw/zinc/59/80/21/527598021.db2.gz JFGOXAKKBSTLTB-OUKQBFOZSA-N 0 0 383.278 6.546 50 30 GKEARN O=C(C=CNc1ccc(F)cc1)c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000100417300 527598559 /nfs/dbraw/zinc/59/85/59/527598559.db2.gz JUDKTUMFPVILIC-VAWYXSNFSA-N 0 0 399.824 6.006 50 30 GKEARN O=C(C=CNc1cccc(C(F)(F)F)c1)c1ccc(Oc2ncccn2)cc1 ZINC000100408169 527598631 /nfs/dbraw/zinc/59/86/31/527598631.db2.gz UCOMOUVICGMPOV-FMIVXFBMSA-N 0 0 385.345 5.096 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 ZINC000004725150 527603026 /nfs/dbraw/zinc/60/30/26/527603026.db2.gz ZCMQHEKKCAKAEB-RMKNXTFCSA-N 0 0 388.206 6.058 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1Br ZINC000006597349 527604255 /nfs/dbraw/zinc/60/42/55/527604255.db2.gz LFDAUCLOXZWKOS-PKNBQFBNSA-N 0 0 387.660 6.259 50 30 GKEARN O=C(/C=C/c1ccc(OC(=O)Cc2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000004118315 527616339 /nfs/dbraw/zinc/61/63/39/527616339.db2.gz NFLHQYBEPCYDDH-SFQUDFHCSA-N 0 0 392.454 5.884 50 30 GKEARN O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(=O)c2ccccc2F)cc1 ZINC000004118380 527625078 /nfs/dbraw/zinc/62/50/78/527625078.db2.gz CLLQEIKPJKNIFV-MDWZMJQESA-N 0 0 380.802 5.594 50 30 GKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000004064504 527633642 /nfs/dbraw/zinc/63/36/42/527633642.db2.gz QWBCODFVSNRSGO-RIFQWCRFSA-N 0 0 394.426 5.478 50 30 biogenic GKEARN O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000004118386 527633889 /nfs/dbraw/zinc/63/38/89/527633889.db2.gz IKRDGGIYNRHLAI-KAVGSWPWSA-N 0 0 388.850 5.855 50 30 GKEARN O=C(C=Cc1ccccc1OC(F)F)c1ccc(NC2=NCCCS2)cc1 ZINC000006366520 527636311 /nfs/dbraw/zinc/63/63/11/527636311.db2.gz DHNJXFSJCFPRNY-DHZHZOJOSA-N 0 0 388.439 5.089 50 30 GKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000033711365 527645995 /nfs/dbraw/zinc/64/59/95/527645995.db2.gz YLHGWRCXBXPJBY-JLHYYAGUSA-N 0 0 385.854 5.484 50 30 GKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccs1 ZINC000012564716 527646347 /nfs/dbraw/zinc/64/63/47/527646347.db2.gz RMNYCESKDIXNLM-OUKQBFOZSA-N 0 0 396.471 6.243 50 30 GKEARN O=C(/C=C/c1csc(-c2ccccc2)n1)c1ccccc1OCc1ccccc1 ZINC000004814034 527650323 /nfs/dbraw/zinc/65/03/23/527650323.db2.gz YXXQKQPWIDYKRT-FOCLMDBBSA-N 0 0 397.499 6.285 50 30 GKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1cc2ccccc2o1 ZINC000033596377 527659826 /nfs/dbraw/zinc/65/98/26/527659826.db2.gz KRKYDNCOJCKKRA-NXVVXOECSA-N 0 0 390.442 6.182 50 30 GKEARN O=C(C/C=N/OCc1ccc(F)cc1Cl)c1cnc(-c2ccccc2)s1 ZINC000005516917 527671116 /nfs/dbraw/zinc/67/11/16/527671116.db2.gz VWIHTOXTIOGLND-NUGSKGIGSA-N 0 0 388.851 5.378 50 30 GKEARN FC(F)(F)c1ccc(CN=C2Nc3ccccc3NC23CCCCCC3)cc1 ZINC000046153006 527681333 /nfs/dbraw/zinc/68/13/33/527681333.db2.gz PFFSVWHMGLQDOF-UHFFFAOYSA-N 0 0 387.449 6.235 50 30 biogenic GKEARN Cc1nn(C)cc1/C=C1/C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O ZINC000253534526 527688633 /nfs/dbraw/zinc/68/86/33/527688633.db2.gz KVDDTNQRMJYZPQ-BDBYXIPPSA-N 0 0 380.576 5.724 50 30 GKEARN CC1=C([C@H](c2ccc(F)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)CC(C)(C)C1 ZINC000221680001 528092606 /nfs/dbraw/zinc/09/26/06/528092606.db2.gz WSTCOHWFQJSXFV-NRFANRHFSA-N 0 0 384.491 5.816 50 30 GKEARN CCCCCC(/C=N/n1c(C)nc2c3ccccc3[nH]c2c1=O)=C\c1ccccc1 ZINC000004898866 528099958 /nfs/dbraw/zinc/09/99/58/528099958.db2.gz VEGWYOIRUFWOTK-SFHXXFADSA-N 0 0 398.510 5.684 50 30 GKEARN CCCCCC1CCC(c2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)CC1 ZINC000004092457 528114101 /nfs/dbraw/zinc/11/41/01/528114101.db2.gz RPZHAAUKUUOBPW-YZSQISJMSA-N 0 0 377.528 7.020 50 30 GKEARN CCCCCCCCCCCNC(=O)c1sc2cc(C)ccc2c1Cl ZINC000097942934 528125495 /nfs/dbraw/zinc/12/54/95/528125495.db2.gz RCIIFMMZYJBNSR-UHFFFAOYSA-N 0 0 379.997 7.124 50 30 GKEARN CCCCCCCCNC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000003657455 528128889 /nfs/dbraw/zinc/12/88/89/528128889.db2.gz AFGUFISAAWIBNI-UHFFFAOYSA-N 0 0 381.545 5.189 50 30 GKEARN CCCCCCCCn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000053319308 528133190 /nfs/dbraw/zinc/13/31/90/528133190.db2.gz SZSNFHVNEJKESZ-UHFFFAOYSA-N 0 0 399.560 5.218 50 30 GKEARN CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000097940383 528134514 /nfs/dbraw/zinc/13/45/14/528134514.db2.gz ULISTWRQPPOKIQ-FQEVSTJZSA-N 0 0 397.559 6.565 50 30 GKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 ZINC000097940016 528134591 /nfs/dbraw/zinc/13/45/91/528134591.db2.gz TVQIWNRCMAWWKS-FQEVSTJZSA-N 0 0 395.543 5.925 50 30 GKEARN CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1 ZINC000097940381 528134783 /nfs/dbraw/zinc/13/47/83/528134783.db2.gz HSNQGTZUTWFQBG-IBGZPJMESA-N 0 0 383.532 6.004 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccccc1Cl ZINC000095482960 528878399 /nfs/dbraw/zinc/87/83/99/528878399.db2.gz WOUVTKDIPNMELY-TZIWHRDSSA-N 0 0 389.882 5.382 50 30 GKEARN CN(C(=O)CCN1c2ccccc2Sc2ccccc21)c1cccc(C#N)c1 ZINC000065552578 535971073 /nfs/dbraw/zinc/97/10/73/535971073.db2.gz IDKVOCNJZKHZIS-UHFFFAOYSA-N 0 0 385.492 5.214 50 30 GKEARN FC(F)(F)c1cccc(Br)c1OC(C(F)(F)F)C(F)(F)F ZINC000169725670 570784774 /nfs/dbraw/zinc/78/47/74/570784774.db2.gz CYDTZGLNRKHELF-UHFFFAOYSA-N 0 0 391.027 5.340 50 30 GKEARN Cc1[nH]c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2c1C ZINC000047993184 570216516 /nfs/dbraw/zinc/21/65/16/570216516.db2.gz LLICDJXMEKWTES-UHFFFAOYSA-N 0 0 396.450 5.404 50 30 GKEARN O=C(c1ccccc1)c1ccc2c(c1)N[C@@H](c1ccco1)C1=C(CCCC1=O)N2 ZINC000000681778 570217034 /nfs/dbraw/zinc/21/70/34/570217034.db2.gz HTGVFDIRYNLTDJ-QHCPKHFHSA-N 0 0 384.435 5.096 50 30 GKEARN COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2cccc3ccccc32)cc1 ZINC000005064994 570217955 /nfs/dbraw/zinc/21/79/55/570217955.db2.gz KPQJPNXBYWVTTC-XMMPIXPASA-N 0 0 396.446 5.925 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000000712125 570219277 /nfs/dbraw/zinc/21/92/77/570219277.db2.gz RHCBWLYCGVYQIA-XMMPIXPASA-N 0 0 398.462 6.058 50 30 GKEARN COc1ccccc1[C@H]1Nc2cc3ccccc3cc2C2=C1C(=O)CC(C)(C)C2 ZINC000000712123 570219358 /nfs/dbraw/zinc/21/93/58/570219358.db2.gz OTBHAVOXEOOLLV-RUZDIDTESA-N 0 0 383.491 6.158 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718171 570219951 /nfs/dbraw/zinc/21/99/51/570219951.db2.gz DECVIFBAUGYMJO-QKKBWIMNSA-N 0 0 378.522 5.789 50 30 GKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000000725588 570221125 /nfs/dbraw/zinc/22/11/25/570221125.db2.gz QIORAPJUUWJOOV-UHFFFAOYSA-N 0 0 398.499 5.181 50 30 GKEARN COc1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000727157 570221452 /nfs/dbraw/zinc/22/14/52/570221452.db2.gz WFXURIQNKPWBCE-RUZDIDTESA-N 0 0 383.491 6.158 50 30 GKEARN COc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000000785146 570223105 /nfs/dbraw/zinc/22/31/05/570223105.db2.gz MJZDWFATHGSHEE-XMMPIXPASA-N 0 0 384.479 5.553 50 30 GKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000816090 570224845 /nfs/dbraw/zinc/22/48/45/570224845.db2.gz YUTDNEPKVJJKKW-NRFANRHFSA-N 0 0 397.902 5.558 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000048253099 570227336 /nfs/dbraw/zinc/22/73/36/570227336.db2.gz RHVLTWHGEZLFLV-PKNBQFBNSA-N 0 0 393.870 5.333 50 30 GKEARN CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006053079 570229612 /nfs/dbraw/zinc/22/96/12/570229612.db2.gz WEFHTCFYNPYSJJ-HXUWFJFHSA-N 0 0 398.890 5.030 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl ZINC000001033149 570236219 /nfs/dbraw/zinc/23/62/19/570236219.db2.gz YMOJROHGERMSBJ-IFRROFPPSA-N 0 0 378.575 5.578 50 30 GKEARN CC1CCN(CC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)CC1 ZINC000051364645 570237923 /nfs/dbraw/zinc/23/79/23/570237923.db2.gz YBPVIMJSMMKZMW-UHFFFAOYSA-N 0 0 398.359 5.361 50 30 GKEARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)cc1 ZINC000006083914 570239604 /nfs/dbraw/zinc/23/96/04/570239604.db2.gz XDPILPOIQUMACG-UHFFFAOYSA-N 0 0 378.815 5.265 50 30 GKEARN C=C(Br)Cn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000013039588 570240348 /nfs/dbraw/zinc/24/03/48/570240348.db2.gz CYGOQPMQKLXOKI-KRWDZBQOSA-N 0 0 397.360 6.295 50 30 GKEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006087688 570240565 /nfs/dbraw/zinc/24/05/65/570240565.db2.gz HJQVWAADMBIHEZ-MPVQEXEOSA-N 0 0 385.507 5.778 50 30 GKEARN C=CCN(CC=C)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000023315416 570241135 /nfs/dbraw/zinc/24/11/35/570241135.db2.gz SWZBTSIWFCXTNV-UHFFFAOYSA-N 0 0 380.289 5.238 50 30 GKEARN CC(C)N1C/C(=C\c2cccc(Cl)c2)C(=O)/C(=C/c2cccc(Cl)c2)C1 ZINC000020115389 570241426 /nfs/dbraw/zinc/24/14/26/570241426.db2.gz JHFNEDCOKZSHAV-VNIJRHKQSA-N 0 0 386.322 5.754 50 30 GKEARN O=C1c2ccccc2/C(=N\c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000001082668 570241427 /nfs/dbraw/zinc/24/14/27/570241427.db2.gz FVPJKYCSQKVLSG-YFJJEWJYSA-N 0 0 376.253 5.550 50 30 GKEARN C=C(Cl)COc1nc2cc(F)ccc2cc1CN[C@@H](C)c1csc(C)n1 ZINC000015073042 570246674 /nfs/dbraw/zinc/24/66/74/570246674.db2.gz HXFIHAPBNYNTGX-LBPRGKRZSA-N 0 0 391.899 5.121 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000001148549 570248779 /nfs/dbraw/zinc/24/87/79/570248779.db2.gz PGKYTHMRHSCDLG-KBMIEXCESA-N 0 0 381.479 5.370 50 30 GKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000002444780 570253145 /nfs/dbraw/zinc/25/31/45/570253145.db2.gz WBRDSXSVRPZSKK-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000001218112 570258912 /nfs/dbraw/zinc/25/89/12/570258912.db2.gz QNFOAKVDDJMXPB-UHFFFAOYSA-N 0 0 394.685 5.658 50 30 GKEARN N#C[C@@H](c1ccc(Br)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000001403121 570262043 /nfs/dbraw/zinc/26/20/43/570262043.db2.gz QTSIFHDNKNOOTD-HXUWFJFHSA-N 0 0 394.243 5.475 50 30 GKEARN Cc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C2\C(=O)C(C)(C)OC2(C)C)o1 ZINC000001428926 570262894 /nfs/dbraw/zinc/26/28/94/570262894.db2.gz SIMFARLSWNJRBR-NTEUORMPSA-N 0 0 389.835 5.357 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001438843 570263149 /nfs/dbraw/zinc/26/31/49/570263149.db2.gz BXUVNJVUYJUPTC-QFIPXVFZSA-N 0 0 391.471 5.434 50 30 GKEARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000100003707 570263706 /nfs/dbraw/zinc/26/37/06/570263706.db2.gz IPGHZWGLMSBNAV-TYKWCNGQSA-N 0 0 375.512 6.632 50 30 GKEARN CCCCCCCCCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001677110 570266958 /nfs/dbraw/zinc/26/69/58/570266958.db2.gz VVBILEWJOUYQMJ-UHFFFAOYSA-N 0 0 375.940 6.027 50 30 GKEARN C(=NN=c1[nH]c2ccccc2s1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000001859226 570269664 /nfs/dbraw/zinc/26/96/64/570269664.db2.gz NXTZJHJDJQNSQI-ZVHZXABRSA-N 0 0 382.492 5.167 50 30 GKEARN C=CCCCCCC[C@]12CC[C@](CCCCCC=C)(CCCC1)S2(=O)=O ZINC000043199207 570271405 /nfs/dbraw/zinc/27/14/05/570271405.db2.gz USTVBEFOACPGER-XZOQPEGZSA-N 0 0 380.638 6.910 50 30 GKEARN C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC3=O)CC[C@@H]2C)O[C@@H](Sc2ccccc2)C1 ZINC000071786321 570272389 /nfs/dbraw/zinc/27/23/89/570272389.db2.gz BZZIHBDJKCVSRV-LQNAPZDISA-N 0 0 396.596 6.572 50 30 GKEARN CCCCCCCCCCCCSC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000100971033 570272407 /nfs/dbraw/zinc/27/24/07/570272407.db2.gz PRJVUPQWHMQCFR-UHFFFAOYSA-N 0 0 393.593 7.049 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 ZINC000002059786 570272937 /nfs/dbraw/zinc/27/29/37/570272937.db2.gz OLWKZDVZHRJWDX-DEOSSOPVSA-N 0 0 387.910 6.803 50 30 GKEARN CCCCCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000002054923 570272977 /nfs/dbraw/zinc/27/29/77/570272977.db2.gz QVVFEBITWVYSCA-UHFFFAOYSA-N 0 0 381.432 5.661 50 30 GKEARN CCCCCCCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002081507 570273615 /nfs/dbraw/zinc/27/36/15/570273615.db2.gz AXIXRAYSLPFCFR-UHFFFAOYSA-N 0 0 381.339 5.872 50 30 GKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000002079054 570273691 /nfs/dbraw/zinc/27/36/91/570273691.db2.gz HAVYPZMXDKBTPW-UHFFFAOYSA-N 0 0 379.456 5.005 50 30 biogenic GKEARN CSc1sc(C(=O)C(C#N)=NNc2ccccc2Cl)c2c1C=CCC2 ZINC000002153427 570276369 /nfs/dbraw/zinc/27/63/69/570276369.db2.gz OTVSDZPCLHPMHO-PXLXIMEGSA-N 0 0 387.917 5.257 50 30 GKEARN FC(F)(F)c1cccc(/N=C/C2=C(Cl)c3cc(Cl)ccc3SC2)c1 ZINC000002154299 570276797 /nfs/dbraw/zinc/27/67/97/570276797.db2.gz LILVHDXPAVSBOL-LIMNOBDPSA-N 0 0 388.241 6.817 50 30 GKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 ZINC000012250969 570278014 /nfs/dbraw/zinc/27/80/14/570278014.db2.gz RGLZJKASMQZHOP-UHFFFAOYSA-N 0 0 393.899 5.313 50 30 GKEARN CCCCCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O ZINC000002215088 570279110 /nfs/dbraw/zinc/27/91/10/570279110.db2.gz OIIOXFHQZHSGJH-UHFFFAOYSA-N 0 0 393.535 5.203 50 30 GKEARN CC1=C[C@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@@H]1COc1ccc2c(c1)CC(=O)C=C2 ZINC000005427244 570279132 /nfs/dbraw/zinc/27/91/32/570279132.db2.gz FJQNHXDZOCYVOZ-VPHKFGTKSA-N 0 0 378.512 5.182 50 30 GKEARN CC1=C[C@@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@@H]1COc1ccc2c(c1)CC(=O)C=C2 ZINC000005427225 570279359 /nfs/dbraw/zinc/27/93/59/570279359.db2.gz FJQNHXDZOCYVOZ-NIDLKEISSA-N 0 0 378.512 5.182 50 30 GKEARN CC1(C)CC(=O)C(C(c2ccc(F)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100936410 570279600 /nfs/dbraw/zinc/27/96/00/570279600.db2.gz DBYOXFVNEREKNV-UHFFFAOYSA-N 0 0 386.463 5.312 50 30 GKEARN O=C1c2ccccc2C(Nc2ccc(Br)cc2)=C1c1ccccc1 ZINC000100944049 570279795 /nfs/dbraw/zinc/27/97/95/570279795.db2.gz GHECBHRQPPRBHG-UHFFFAOYSA-N 0 0 376.253 5.626 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc2ccccc12 ZINC000002240318 570280124 /nfs/dbraw/zinc/28/01/24/570280124.db2.gz GUGCGEYBYJXKLY-SSDVNMTOSA-N 0 0 399.306 5.576 50 30 GKEARN CCCC(C)(C)[C@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000006669914 570280267 /nfs/dbraw/zinc/28/02/67/570280267.db2.gz ZFJMCICFPLOLLQ-YCVOCTCCSA-N 0 0 376.457 5.533 50 30 GKEARN CCCCCCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc21 ZINC000053319096 570281298 /nfs/dbraw/zinc/28/12/98/570281298.db2.gz SEAWNUDPTFGMPV-UHFFFAOYSA-N 0 0 376.460 5.835 50 30 GKEARN CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002296709 570281603 /nfs/dbraw/zinc/28/16/03/570281603.db2.gz QUNMBFFWNHVBHJ-SANMLTNESA-N 0 0 396.534 6.215 50 30 GKEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002325383 570282816 /nfs/dbraw/zinc/28/28/16/570282816.db2.gz RONMMIBOTPNRTD-DJKKODMXSA-N 0 0 395.340 5.145 50 30 GKEARN C=CCOc1ccccc1[C@H]1Sc2ccccc2N=C2c3ccccc3C(=O)C21 ZINC000002364599 570284232 /nfs/dbraw/zinc/28/42/32/570284232.db2.gz DCFIQZGWHBBCQK-RUZDIDTESA-N 0 0 397.499 6.118 50 30 GKEARN COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1O ZINC000002369784 570284725 /nfs/dbraw/zinc/28/47/25/570284725.db2.gz UWHCIHOEPFOIAG-JVWAILMASA-N 0 0 394.430 5.950 50 30 GKEARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)oc(=O)cc3C(C)C)c1 ZINC000021327378 570290475 /nfs/dbraw/zinc/29/04/75/570290475.db2.gz SOPFRBMEHMWWKE-OAHLLOKOSA-N 0 0 393.439 5.175 50 30 GKEARN Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1-c1ccccc1 ZINC000000689107 570291381 /nfs/dbraw/zinc/29/13/81/570291381.db2.gz KSGOZLQFMSNEQD-UHFFFAOYSA-N 0 0 387.291 6.154 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccc4ccccc34)cc2)cc1 ZINC000015922469 570292287 /nfs/dbraw/zinc/29/22/87/570292287.db2.gz DZGKFEVBKXCYAW-OBGWFSINSA-N 0 0 392.454 6.264 50 30 GKEARN O=C1c2ccccc2/C(=N/c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004825644 570294009 /nfs/dbraw/zinc/29/40/09/570294009.db2.gz YVNJSZZFCPZYFB-IGTQYIEMSA-N 0 0 376.799 5.349 50 30 GKEARN C(=N/N(Cc1ccccc1)c1ccccc1)\c1cccc(Oc2ccccc2)c1 ZINC000004826545 570295325 /nfs/dbraw/zinc/29/53/25/570295325.db2.gz AIUFZFSCOVTZNY-NHFJDJAPSA-N 0 0 378.475 6.520 50 30 GKEARN COc1ccc(C=Nc2ccc(N=Cc3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000254848939 570297181 /nfs/dbraw/zinc/29/71/81/570297181.db2.gz KWCWSEUAQYYHCC-UHFFFAOYSA-N 0 0 378.859 5.858 50 30 GKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc21 ZINC000002757985 570298882 /nfs/dbraw/zinc/29/88/82/570298882.db2.gz XMLOYNXBDRUVBX-QHCPKHFHSA-N 0 0 389.495 5.151 50 30 GKEARN N#CCSc1ccccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012931953 570301258 /nfs/dbraw/zinc/30/12/58/570301258.db2.gz DNDVERYGDRTGHJ-UHFFFAOYSA-N 0 0 392.455 5.164 50 30 GKEARN C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1ccccc1Cl ZINC000027015966 570306553 /nfs/dbraw/zinc/30/65/53/570306553.db2.gz LEDXSPBJAGQSBS-LNVKXUELSA-N 0 0 397.931 5.637 50 30 GKEARN C#Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2F)c1 ZINC000012942776 570315849 /nfs/dbraw/zinc/31/58/49/570315849.db2.gz UAXHVUUJKRJEMH-UHFFFAOYSA-N 0 0 392.411 5.119 50 30 GKEARN Cc1cc(O)ccc1-c1csc(N=NC2c3ccccc3-c3ccccc32)n1 ZINC000006189159 570319425 /nfs/dbraw/zinc/31/94/25/570319425.db2.gz NGBFSWIQYFEGIQ-UHFFFAOYSA-N 0 0 383.476 5.669 50 30 GKEARN CCOc1ccc(CC(=O)Nc2cc3ccccc3nc2Br)cc1 ZINC000328596066 570319791 /nfs/dbraw/zinc/31/97/91/570319791.db2.gz QGXCNIDYUUJKAC-UHFFFAOYSA-N 0 0 385.261 5.227 50 30 GKEARN C=CCNC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000005725793 570324226 /nfs/dbraw/zinc/32/42/26/570324226.db2.gz TULMREKZQUVDBO-UHFFFAOYSA-N 0 0 380.451 5.271 50 30 GKEARN CSc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000002999962 570325487 /nfs/dbraw/zinc/32/54/87/570325487.db2.gz FCBZJEZONDCHHV-RUZDIDTESA-N 0 0 399.559 6.871 50 30 GKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2cc(C)ccc2cc1C#N ZINC000000786879 570328297 /nfs/dbraw/zinc/32/82/97/570328297.db2.gz CAKSFDZNFUACHS-UHFFFAOYSA-N 0 0 389.524 5.271 50 30 GKEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O ZINC000524731747 570329296 /nfs/dbraw/zinc/32/92/96/570329296.db2.gz JFSROBHDDNXKNU-UZQMFHLOSA-N 0 0 390.479 5.865 50 30 biogenic GKEARN CCCCCCCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C ZINC000003121708 570329340 /nfs/dbraw/zinc/32/93/40/570329340.db2.gz YYOCROVHZSOZKJ-NFBKMPQASA-N 0 0 378.560 6.716 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4c(O)ccc5ccccc54)cc3)sc2c1 ZINC000003129918 570329939 /nfs/dbraw/zinc/32/99/39/570329939.db2.gz NESJLBTVAXYFIG-CVKSISIWSA-N 0 0 394.499 6.881 50 30 GKEARN N#C[C@@H](c1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000003133357 570330066 /nfs/dbraw/zinc/33/00/66/570330066.db2.gz ZRKYNGPRWDWZJQ-IBGZPJMESA-N 0 0 384.237 6.019 50 30 GKEARN N#C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl ZINC000003134255 570330161 /nfs/dbraw/zinc/33/01/61/570330161.db2.gz KYHLQMYFXGDOGH-LBPRGKRZSA-N 0 0 397.636 6.418 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000003161946 570331145 /nfs/dbraw/zinc/33/11/45/570331145.db2.gz HXNMIEFDZFURJO-TURZUDJPSA-N 0 0 390.486 7.357 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000003147795 570331177 /nfs/dbraw/zinc/33/11/77/570331177.db2.gz IYMOVDTXQMMZRX-INIZCTEOSA-N 0 0 379.759 5.580 50 30 GKEARN COc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000003162537 570331236 /nfs/dbraw/zinc/33/12/36/570331236.db2.gz IQSRPVYNVDMCRC-UNURKUBWSA-N 0 0 399.406 5.827 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(Br)cc3)ccc21 ZINC000003161948 570331259 /nfs/dbraw/zinc/33/12/59/570331259.db2.gz KCIOMYVQBGSFHL-OEAKJJBVSA-N 0 0 377.285 6.328 50 30 GKEARN CCOc1cc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)ccc1O ZINC000000795920 570335866 /nfs/dbraw/zinc/33/58/66/570335866.db2.gz OVJACKOHZAOKAB-XMMPIXPASA-N 0 0 385.463 5.618 50 30 GKEARN CCOc1cc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)ccc1O ZINC000000795919 570335940 /nfs/dbraw/zinc/33/59/40/570335940.db2.gz OVJACKOHZAOKAB-DEOSSOPVSA-N 0 0 385.463 5.618 50 30 GKEARN Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(OC(F)F)cc1OC(F)F)CC2 ZINC000003301150 570336334 /nfs/dbraw/zinc/33/63/34/570336334.db2.gz IDMJDUCLKMKEAP-NTEUORMPSA-N 0 0 394.364 5.719 50 30 GKEARN Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3C=Cc3ccccc32)n1 ZINC000035327595 570341974 /nfs/dbraw/zinc/34/19/74/570341974.db2.gz ROGKVDNUHUFXSF-UHFFFAOYSA-N 0 0 397.503 5.511 50 30 GKEARN C/C(=N\OCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1 ZINC000006261812 570353011 /nfs/dbraw/zinc/35/30/11/570353011.db2.gz ZAHYVLXCWMGIQY-DHRITJCHSA-N 0 0 397.828 5.295 50 30 GKEARN CCCCCCOc1ccc(/C=N/c2ccc(CCCCCC)cc2)c(O)c1 ZINC000003894678 570353380 /nfs/dbraw/zinc/35/33/80/570353380.db2.gz SRDBXBLEAALBRE-LHLOQNFPSA-N 0 0 381.560 7.225 50 30 GKEARN O=C1/C(=C/c2c(F)cccc2Cl)CS/C1=C\c1c(F)cccc1Cl ZINC000004882913 570355851 /nfs/dbraw/zinc/35/58/51/570355851.db2.gz WFOYKHQILAEWFJ-ZYIFRWBTSA-N 0 0 383.246 6.012 50 30 GKEARN O=C1c2ccccc2[C@@H]2S/C(=C\c3ccccc3)C(=O)c3ccccc3CN12 ZINC000004108934 570357558 /nfs/dbraw/zinc/35/75/58/570357558.db2.gz OBTIZVGWSIRFCL-WNOSOOIWSA-N 0 0 383.472 5.312 50 30 GKEARN COc1ccccc1N1CCN(/N=C\c2c3ccccc3cc3ccccc32)CC1 ZINC000004892938 570358100 /nfs/dbraw/zinc/35/81/00/570358100.db2.gz LSLGEADBFKZLBV-DIBXZPPDSA-N 0 0 395.506 5.158 50 30 GKEARN O=C(O/C(=N/C1CCCCC1)NC1CCCCC1)c1ccc2ccccc2n1 ZINC000033492671 570358272 /nfs/dbraw/zinc/35/82/72/570358272.db2.gz LXAMJNPMTPDUIH-UHFFFAOYSA-N 0 0 379.504 5.003 50 30 GKEARN Cc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000004898599 570358395 /nfs/dbraw/zinc/35/83/95/570358395.db2.gz JOLYXZFJPFEAQZ-CJLVFECKSA-N 0 0 381.475 6.683 50 30 GKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000004899353 570358650 /nfs/dbraw/zinc/35/86/50/570358650.db2.gz XAXZJBPFFIGWMZ-ARGSHCIWSA-N 0 0 393.556 5.328 50 30 GKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006276912 570359122 /nfs/dbraw/zinc/35/91/22/570359122.db2.gz YDIRWLDWEKFXGL-PDGQHHTCSA-N 0 0 380.856 5.492 50 30 GKEARN CCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004139914 570359323 /nfs/dbraw/zinc/35/93/23/570359323.db2.gz ZYFJVOADMFSCDM-HSZRJFAPSA-N 0 0 376.500 5.697 50 30 GKEARN C/C(=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)cc1 ZINC000004147121 570359794 /nfs/dbraw/zinc/35/97/94/570359794.db2.gz DYGRYSIFRUBVCR-QRQIAZFYSA-N 0 0 396.877 7.279 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1c[nH]c3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000004167995 570360832 /nfs/dbraw/zinc/36/08/32/570360832.db2.gz JYYPWQUVQAUWPF-DEOSSOPVSA-N 0 0 385.511 6.007 50 30 GKEARN N#C[C@](Cc1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006282373 570360952 /nfs/dbraw/zinc/36/09/52/570360952.db2.gz GPCHYAHWICKYDR-OAQYLSRUSA-N 0 0 396.368 5.666 50 30 GKEARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000004905401 570361448 /nfs/dbraw/zinc/36/14/48/570361448.db2.gz XAOMILWFLYVXKS-UHFFFAOYSA-N 0 0 391.462 5.744 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)o1 ZINC000004199741 570362752 /nfs/dbraw/zinc/36/27/52/570362752.db2.gz CRIDWQJLQWLKSC-IQGLISFBSA-N 0 0 384.479 5.876 50 30 GKEARN Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004205049 570363113 /nfs/dbraw/zinc/36/31/13/570363113.db2.gz BHKBOXPKVWDNJR-FQEVSTJZSA-N 0 0 399.494 5.087 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(C(C)C)cc1 ZINC000004918428 570365784 /nfs/dbraw/zinc/36/57/84/570365784.db2.gz HTSQXZDHJSRQEX-GMAHTHKFSA-N 0 0 380.459 5.268 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1c(F)cccc1Cl ZINC000004919996 570366286 /nfs/dbraw/zinc/36/62/86/570366286.db2.gz BDBNDHWIWLHYRZ-HRAATJIYSA-N 0 0 386.850 5.107 50 30 GKEARN O=C(ON=C1CCCCCCCCCCC1)c1sc2ccccc2c1Cl ZINC000004300921 570366484 /nfs/dbraw/zinc/36/64/84/570366484.db2.gz XZIMIRGVRZYWPG-UHFFFAOYSA-N 0 0 391.964 7.372 50 30 GKEARN Cc1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n(C)n1 ZINC000118916356 570367303 /nfs/dbraw/zinc/36/73/03/570367303.db2.gz FNOSBAZDWKDDHT-KCPBDRDDSA-N 0 0 380.576 5.724 50 30 GKEARN FC(F)(F)C(F)(F)C(F)(F)c1[nH]nc(-c2ccccc2)c1Br ZINC000004329263 570368189 /nfs/dbraw/zinc/36/81/89/570368189.db2.gz CACZUFHSOSHVMU-UHFFFAOYSA-N 0 0 391.084 5.129 50 30 GKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1OC ZINC000000817956 570369366 /nfs/dbraw/zinc/36/93/66/570369366.db2.gz NYGJHZGWSJVISO-RUZDIDTESA-N 0 0 385.463 5.530 50 30 biogenic GKEARN Fc1ccc2c(c1)C(=NNc1ncc(C(F)(F)F)cc1Cl)CCS2 ZINC000004390395 570373107 /nfs/dbraw/zinc/37/31/07/570373107.db2.gz KABPAUWOHPWOJB-WSDLNYQXSA-N 0 0 375.778 5.205 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@@H]3CC[C@]21C ZINC000257345427 570374793 /nfs/dbraw/zinc/37/47/93/570374793.db2.gz AKTPAJMBVLOPJG-ZDSURQAJSA-N 0 0 386.664 7.485 50 30 GKEARN O=C1/C(=C/c2c(Cl)cccc2Cl)CC/C1=C\c1c(Cl)cccc1Cl ZINC000004547069 570383370 /nfs/dbraw/zinc/38/33/70/570383370.db2.gz HAABYPJHQWEBFQ-WGDLNXRISA-N 0 0 398.116 7.130 50 30 GKEARN O=C1/C(=C/c2ccc3ccccc3c2)CCCC/C1=C\c1ccc2ccccc2c1 ZINC000004547272 570383464 /nfs/dbraw/zinc/38/34/64/570383464.db2.gz HFPORCISQALJDR-MKYUKRCKSA-N 0 0 388.510 7.603 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cccc(Br)c3)o2)cc1 ZINC000004577647 570385766 /nfs/dbraw/zinc/38/57/66/570385766.db2.gz YYJOLWWOHDDRNF-YBFXNURJSA-N 0 0 386.205 5.063 50 30 GKEARN Cc1nc(N=NC(C)c2ccc(Br)cc2)cc(-c2ccccc2)n1 ZINC000004595554 570386662 /nfs/dbraw/zinc/38/66/62/570386662.db2.gz BDILEHLIPLQCTC-YDZHTSKRSA-N 0 0 381.277 5.051 50 30 GKEARN CC(C)c1ccc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 ZINC000004628436 570388687 /nfs/dbraw/zinc/38/86/87/570388687.db2.gz PFCOYQMSNQEBGY-AGOICEIYSA-N 0 0 395.572 5.572 50 30 GKEARN Clc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000004646457 570389021 /nfs/dbraw/zinc/38/90/21/570389021.db2.gz XSJPJSDDBHODRT-BUVRLJJBSA-N 0 0 385.858 5.305 50 30 GKEARN O=C1/C(=C/c2c(F)cccc2Cl)CCC/C1=C\c1c(F)cccc1Cl ZINC000004646765 570389402 /nfs/dbraw/zinc/38/94/02/570389402.db2.gz WDCXAVZLNFAYRK-DCIPZJNNSA-N 0 0 379.233 6.492 50 30 GKEARN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 ZINC000004651568 570389762 /nfs/dbraw/zinc/38/97/62/570389762.db2.gz UJLUQXYREFDZQR-HABTXOPUSA-N 0 0 390.502 5.863 50 30 GKEARN CC(C)Oc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000004660126 570390202 /nfs/dbraw/zinc/39/02/02/570390202.db2.gz BATXVMUQJWUIPK-CFDZAGTRSA-N 0 0 386.904 5.361 50 30 GKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000004663272 570390706 /nfs/dbraw/zinc/39/07/06/570390706.db2.gz SFQFBJZKEKZFRQ-QHCPKHFHSA-N 0 0 394.902 5.647 50 30 GKEARN CCOc1ccc(Nc2c(CCC#N)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004995097 570391612 /nfs/dbraw/zinc/39/16/12/570391612.db2.gz ADXIVDKFNMXTJU-UHFFFAOYSA-N 0 0 395.466 5.266 50 30 GKEARN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000012362610 570391796 /nfs/dbraw/zinc/39/17/96/570391796.db2.gz XUOIIRCUNOAKSC-IFRROFPPSA-N 0 0 382.505 6.790 50 30 GKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1Cl ZINC000005004877 570394242 /nfs/dbraw/zinc/39/42/42/570394242.db2.gz FUQPOFYYOOUECY-VGOFMYFVSA-N 0 0 383.687 5.538 50 30 GKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1c(Cl)cccc1Cl ZINC000005005610 570394363 /nfs/dbraw/zinc/39/43/63/570394363.db2.gz VXNBPRRYRHVIRO-RIYZIHGNSA-N 0 0 383.687 5.538 50 30 GKEARN Cc1ccc(NC(=CC(=O)c2ccc(Br)cc2)C(F)(F)F)cc1 ZINC000004707117 570396525 /nfs/dbraw/zinc/39/65/25/570396525.db2.gz OCZCYCVUPWRKAR-YBEGLDIGSA-N 0 0 384.195 5.499 50 30 GKEARN CCOC(=O)c1ccc2c(c1)CC/C(=C\c1cccc(Oc3ccccc3)c1)C2=O ZINC000004709804 570396884 /nfs/dbraw/zinc/39/68/84/570396884.db2.gz VWLNPMSOWVJNEW-HMMYKYKNSA-N 0 0 398.458 5.868 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005021081 570398325 /nfs/dbraw/zinc/39/83/25/570398325.db2.gz AZOUAMLUASPWAB-QHCPKHFHSA-N 0 0 397.522 5.690 50 30 GKEARN CCOC(=O)c1sc(SCC(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000035606202 570401261 /nfs/dbraw/zinc/40/12/61/570401261.db2.gz UVLKUZHSBLVDNR-UHFFFAOYSA-N 0 0 379.934 5.865 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000004743385 570401405 /nfs/dbraw/zinc/40/14/05/570401405.db2.gz UKOMULPFZLPYFN-LPYMAVHISA-N 0 0 381.819 5.273 50 30 GKEARN CC(N=Nc1nc(-c2ccccc2F)nc2ccccc21)c1ccc(Cl)cc1 ZINC000005032471 570401445 /nfs/dbraw/zinc/40/14/45/570401445.db2.gz WFGMMWPHFXRPPP-VYYCAZPPSA-N 0 0 390.849 5.925 50 30 GKEARN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004747089 570402064 /nfs/dbraw/zinc/40/20/64/570402064.db2.gz JKPNFIOHOVIGIE-IBVKSMDESA-N 0 0 397.543 6.655 50 30 GKEARN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004747086 570402129 /nfs/dbraw/zinc/40/21/29/570402129.db2.gz JKPNFIOHOVIGIE-FQRUVTKNSA-N 0 0 397.543 6.655 50 30 GKEARN COC(=O)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000016045047 570402871 /nfs/dbraw/zinc/40/28/71/570402871.db2.gz GREHWMOWVWJNIA-CYVLTUHYSA-N 0 0 399.471 5.506 50 30 GKEARN CSC1=N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)S1 ZINC000004755224 570403456 /nfs/dbraw/zinc/40/34/56/570403456.db2.gz RVLJLWAAIXLGGC-WQLSENKSSA-N 0 0 380.288 5.042 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000004759410 570404122 /nfs/dbraw/zinc/40/41/22/570404122.db2.gz PHFNDQTVEYYEFF-XDHUDOTRSA-N 0 0 385.442 5.200 50 30 GKEARN C=C(C)CN(CC)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000012987586 570407720 /nfs/dbraw/zinc/40/77/20/570407720.db2.gz HGQWHKYFLBMJQT-UHFFFAOYSA-N 0 0 387.936 5.146 50 30 GKEARN C=CCn1c(S[C@@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000012988826 570407728 /nfs/dbraw/zinc/40/77/28/570407728.db2.gz DXQWQCDUHLAVML-MRXNPFEDSA-N 0 0 396.343 5.432 50 30 GKEARN Cc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1 ZINC000005069361 570409323 /nfs/dbraw/zinc/40/93/23/570409323.db2.gz COONKWRYPLNJBW-UHFFFAOYSA-N 0 0 382.492 5.407 50 30 GKEARN Fc1cccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000005066986 570410273 /nfs/dbraw/zinc/41/02/73/570410273.db2.gz YCNQRTRMGUWODJ-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 ZINC000035681662 570413399 /nfs/dbraw/zinc/41/33/99/570413399.db2.gz CLNILSDRXISBER-NBVRZTHBSA-N 0 0 386.838 5.000 50 30 GKEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000025579792 570416394 /nfs/dbraw/zinc/41/63/94/570416394.db2.gz QGSPJRIMENAELD-OEAKJJBVSA-N 0 0 396.749 5.189 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4cccs4)c3c2C1 ZINC000004953896 570419737 /nfs/dbraw/zinc/41/97/37/570419737.db2.gz SKTJZNMZJOLCJL-FIKYGGOLSA-N 0 0 398.601 6.130 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCc1ccccc1 ZINC000005120147 570420503 /nfs/dbraw/zinc/42/05/03/570420503.db2.gz IISVCJGFVBGSIY-UHFFFAOYSA-N 0 0 392.527 6.622 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000004973552 570420740 /nfs/dbraw/zinc/42/07/40/570420740.db2.gz JIXXSAROIHSYJS-IQMFZBJNSA-N 0 0 390.870 5.913 50 30 GKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)c1 ZINC000004973605 570420762 /nfs/dbraw/zinc/42/07/62/570420762.db2.gz BOFLPTBJGFKEOZ-UPCLLVRISA-N 0 0 386.451 5.268 50 30 GKEARN Cc1ccc(-c2nc3ccccc3c([N-][NH+]=Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000004981551 570421169 /nfs/dbraw/zinc/42/11/69/570421169.db2.gz ZIALXQSUINRVSZ-PCLIKHOPSA-N 0 0 381.483 5.117 50 30 GKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1cccc(N)c1 ZINC000004977418 570421283 /nfs/dbraw/zinc/42/12/83/570421283.db2.gz ATVFCWZTRFEAQM-MWLSYYOVSA-N 0 0 397.457 5.368 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000005125741 570421401 /nfs/dbraw/zinc/42/14/01/570421401.db2.gz KTXHFBIXMZEWDG-VULFUBBASA-N 0 0 397.865 6.493 50 30 GKEARN Cc1nc(C)c(-c2csc(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)s1 ZINC000004991694 570422048 /nfs/dbraw/zinc/42/20/48/570422048.db2.gz FLVXBWHRGIVURU-ODCIPOBUSA-N 0 0 397.356 6.026 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000005024790 570424660 /nfs/dbraw/zinc/42/46/60/570424660.db2.gz KZEMHAYHFISAOW-IDISGSTGSA-N 0 0 394.518 6.283 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@@H]1CCCCO1 ZINC000026704172 570425066 /nfs/dbraw/zinc/42/50/66/570425066.db2.gz ZKPHVDHQYUDPJS-NSHDSACASA-N 0 0 384.448 5.362 50 30 GKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000003113741 570425826 /nfs/dbraw/zinc/42/58/26/570425826.db2.gz JSNFXSBUMJGZEX-BHGWPJFGSA-N 0 0 397.261 6.566 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000005059171 570427019 /nfs/dbraw/zinc/42/70/19/570427019.db2.gz WMEHTCWPJURYQK-HXUWFJFHSA-N 0 0 397.902 5.499 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000005061733 570427594 /nfs/dbraw/zinc/42/75/94/570427594.db2.gz YXFSTVHDFBILBL-XGTLJDLRSA-N 0 0 380.871 5.216 50 30 aggregator GKEARN Cc1ccc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)o1 ZINC000005091664 570428563 /nfs/dbraw/zinc/42/85/63/570428563.db2.gz CFLBRKUCPQYQPK-BVZFJXPGSA-N 0 0 384.479 5.876 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Br)c1 ZINC000005090806 570428692 /nfs/dbraw/zinc/42/86/92/570428692.db2.gz WOAGWKCGXQPAPI-FQEVSTJZSA-N 0 0 397.316 5.671 50 30 GKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000005102713 570429460 /nfs/dbraw/zinc/42/94/60/570429460.db2.gz PPTKSUDPTWRSLB-HSZRJFAPSA-N 0 0 384.435 5.100 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 ZINC000005137254 570430452 /nfs/dbraw/zinc/43/04/52/570430452.db2.gz GBAAEFXMKIWZKF-CRICUBBOSA-N 0 0 397.478 5.070 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C#N)cc1 ZINC000005175620 570430778 /nfs/dbraw/zinc/43/07/78/570430778.db2.gz FQTVQAFAUZNTAR-XMMPIXPASA-N 0 0 399.494 5.111 50 30 GKEARN CC(C)(C)c1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O ZINC000005187252 570430894 /nfs/dbraw/zinc/43/08/94/570430894.db2.gz RQCFLZRSZPRZCJ-KPKJPENVSA-N 0 0 381.472 5.792 50 30 GKEARN Cc1ccc(-c2csc(N=NC(C)c3csc(-c4ccccc4)n3)n2)cc1 ZINC000005218328 570431842 /nfs/dbraw/zinc/43/18/42/570431842.db2.gz VUCXDZFBUQPCSE-IWIPYMOSSA-N 0 0 390.537 6.078 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C1=C(C2)C(=O)CC(C)(C)C1 ZINC000005231360 570432131 /nfs/dbraw/zinc/43/21/31/570432131.db2.gz MOWAWFVIIKFGNT-UHFFFAOYSA-N 0 0 394.471 5.091 50 30 GKEARN CCC/C(=N\OCC)C1=C(N2CCCC2)C[C@@H](C[C@@H](C)SCC)CC1=O ZINC000005243663 570432393 /nfs/dbraw/zinc/43/23/93/570432393.db2.gz WKXDDPNDHKTISM-HYTQKQMHSA-N 0 0 380.598 5.040 50 30 GKEARN O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000005277821 570433276 /nfs/dbraw/zinc/43/32/76/570433276.db2.gz XPXQJILQKJKDJD-NTEUORMPSA-N 0 0 397.257 6.109 50 30 GKEARN CC1(C)CC2=C3C(=NC(=Nc4ccccc4)S[C@]34CC(C)(C)C[C@](C)(C2)C4)C1 ZINC000005424620 570438909 /nfs/dbraw/zinc/43/89/09/570438909.db2.gz WGZZZYOQQKPNIG-DQEYMECFSA-N 0 0 392.612 6.980 50 30 GKEARN Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccccc4)ns3)sc2c1 ZINC000027794120 570443102 /nfs/dbraw/zinc/44/31/02/570443102.db2.gz MLOUPBDHVBDWPL-UHFFFAOYSA-N 0 0 385.901 6.018 50 30 GKEARN C=CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000011914515 570447806 /nfs/dbraw/zinc/44/78/06/570447806.db2.gz BQFNAKNHOLTRFT-UHFFFAOYSA-N 0 0 386.476 5.780 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccn4)c3c2C1 ZINC000005614577 570449117 /nfs/dbraw/zinc/44/91/17/570449117.db2.gz GDKLXWFRLSVLEU-KWRYHKOTSA-N 0 0 379.533 5.073 50 30 GKEARN CCn1ncc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3Cl)o2)c1C ZINC000006490055 570450046 /nfs/dbraw/zinc/45/00/46/570450046.db2.gz WGZOWAMVVGAMCQ-BQYQJAHWSA-N 0 0 388.826 5.072 50 30 GKEARN CCn1nccc1C(=O)/C=C/c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000006490110 570450173 /nfs/dbraw/zinc/45/01/73/570450173.db2.gz LXSSFFKCEFVVOO-CMDGGOBGSA-N 0 0 391.254 5.278 50 30 GKEARN CCCCSCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000005655444 570450234 /nfs/dbraw/zinc/45/02/34/570450234.db2.gz PRCOLPJIDOCMBG-UHFFFAOYSA-N 0 0 396.606 6.932 50 30 GKEARN C=CCc1cccc(C=Nn2c(-c3ccc(C(C)(C)C)cc3)n[n-]c2=S)c1O ZINC000005669442 570450730 /nfs/dbraw/zinc/45/07/30/570450730.db2.gz CCAYAAZFLHHLOL-OEAKJJBVSA-N 0 0 392.528 5.221 50 30 GKEARN Cc1cccc(-c2nc3cc(/N=C/c4cccc(Br)c4)ccc3o2)c1 ZINC000001951630 570451112 /nfs/dbraw/zinc/45/11/12/570451112.db2.gz YJRJARYHRGMBPL-YDZHTSKRSA-N 0 0 391.268 6.316 50 30 GKEARN Cc1csc(N=NCc2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000011992535 570452896 /nfs/dbraw/zinc/45/28/96/570452896.db2.gz VOTRHFJSNFBROQ-ZVBGSRNCSA-N 0 0 375.856 5.269 50 30 GKEARN C[C@H](C#N)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(F)cc1 ZINC000006058495 570465336 /nfs/dbraw/zinc/46/53/36/570465336.db2.gz VLJTYITVMGWZEF-OVGFGYAMSA-N 0 0 386.426 5.320 50 30 GKEARN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)O1 ZINC000329521066 570466079 /nfs/dbraw/zinc/46/60/79/570466079.db2.gz QOIKDOPVZJFEQT-PQEBFOHHSA-N 0 0 398.425 5.161 50 30 GKEARN Cc1cc(C(=O)/C=C\c2ccc(COc3c(Cl)cccc3Cl)o2)n(C)n1 ZINC000006527843 570466205 /nfs/dbraw/zinc/46/62/05/570466205.db2.gz PCYFLOZIWSEPPR-HJWRWDBZSA-N 0 0 391.254 5.103 50 30 GKEARN Cc1ccc2cc(C([O-])=C(C#N)c3ncc(C(F)(F)F)cc3Cl)ccc2n1 ZINC000136472307 570473597 /nfs/dbraw/zinc/47/35/97/570473597.db2.gz LIUUPRFBNFOKCG-AWEZNQCLSA-N 0 0 389.764 5.101 50 30 GKEARN COc1ccccc1[C@@H]1Nc2cc(C)c(C)cc2NC2=C1C(=O)CC(C)(C)C2 ZINC000006275848 570475283 /nfs/dbraw/zinc/47/52/83/570475283.db2.gz MFXAWMGKEHRSBG-QHCPKHFHSA-N 0 0 376.500 5.534 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2ccccc2n1 ZINC000006589829 570487385 /nfs/dbraw/zinc/48/73/85/570487385.db2.gz RBGIYBPQYWOOSN-UHFFFAOYSA-N 0 0 381.460 5.510 50 30 GKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3cc(C)on3)cc2)cc1 ZINC000002027738 570488877 /nfs/dbraw/zinc/48/88/77/570488877.db2.gz PMSFQEUNKAIYBM-UHFFFAOYSA-N 0 0 390.527 6.805 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc([N+](=O)[O-])c1 ZINC000003115428 570489230 /nfs/dbraw/zinc/48/92/30/570489230.db2.gz SQEWOZPTAYVXKQ-CIAFOILYSA-N 0 0 388.339 5.062 50 30 GKEARN COc1ccccc1C=C1SC(=Nc2cc(Cl)cc(Cl)c2)NC1=O ZINC000006848920 570496749 /nfs/dbraw/zinc/49/67/49/570496749.db2.gz IZAXJTZSRJCOGP-UUASQNMZSA-N 0 0 379.268 5.734 50 30 GKEARN Fc1c(F)c(F)c(N=NCc2ccc(OCc3ccccc3)cc2)c(F)c1F ZINC000006864224 570497161 /nfs/dbraw/zinc/49/71/61/570497161.db2.gz RMKFBVXACUBYEF-NSKAYECMSA-N 0 0 392.327 5.407 50 30 GKEARN CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC ZINC000006920371 570498961 /nfs/dbraw/zinc/49/89/61/570498961.db2.gz ZMBHCYHQLYEYDV-UHFFFAOYSA-N 0 0 386.645 9.431 50 30 GKEARN O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1ccc(F)cc1 ZINC000006926215 570499072 /nfs/dbraw/zinc/49/90/72/570499072.db2.gz UAABFXYFOFIKCH-ZROIWOOFSA-N 0 0 377.238 5.320 50 30 GKEARN C[C@H]1CCc2sc(NC(=O)c3sc4ccccc4c3Cl)c(C#N)c2C1 ZINC000005193556 570499729 /nfs/dbraw/zinc/49/97/29/570499729.db2.gz HQESKPKTNOQWLT-JTQLQIEISA-N 0 0 386.929 5.865 50 30 GKEARN CN(C)c1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)cc1 ZINC000002060346 570501613 /nfs/dbraw/zinc/50/16/13/570501613.db2.gz TXLNZLWADXDDID-UHFFFAOYSA-N 0 0 395.616 6.517 50 30 GKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000003085049 570502775 /nfs/dbraw/zinc/50/27/75/570502775.db2.gz HMYZLJMNZIJNCW-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN CCCCCCCCCCOc1ccc(N(C)C(=O)C#Cc2ccccc2)cc1 ZINC000003109458 570503925 /nfs/dbraw/zinc/50/39/25/570503925.db2.gz WBMCTCJZHNXQAZ-UHFFFAOYSA-N 0 0 391.555 6.221 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000003102910 570504098 /nfs/dbraw/zinc/50/40/98/570504098.db2.gz ZSJKXUUMCBSAOH-VULFUBBASA-N 0 0 398.849 6.758 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000006620728 570506024 /nfs/dbraw/zinc/50/60/24/570506024.db2.gz BHLSWCHAQCHCNV-OAQYLSRUSA-N 0 0 377.484 5.154 50 30 GKEARN Cc1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C#N)c1C ZINC000002738402 570510411 /nfs/dbraw/zinc/51/04/11/570510411.db2.gz SOLDBBZJVXUWCV-UHFFFAOYSA-N 0 0 398.250 5.293 50 30 GKEARN Fc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc(Cl)cc3)ccc2o1 ZINC000002895265 570521310 /nfs/dbraw/zinc/52/13/10/570521310.db2.gz SFJOGBCUANDEPT-DFJXIDDLSA-N 0 0 376.818 6.703 50 30 GKEARN O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000005248678 570525028 /nfs/dbraw/zinc/52/50/28/570525028.db2.gz CODJAOSOGBUUOM-AERZKKPOSA-N 0 0 391.081 6.076 50 30 GKEARN c1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N/c2ccccc2)cc1 ZINC000008399265 570530907 /nfs/dbraw/zinc/53/09/07/570530907.db2.gz UCCZGUNZUWTDPB-IKJQKJQYSA-N 0 0 388.521 6.310 50 30 GKEARN CCCCCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000008398045 570531060 /nfs/dbraw/zinc/53/10/60/570531060.db2.gz QNMAGPHQGHLGOE-UHFFFAOYSA-N 0 0 380.557 6.228 50 30 GKEARN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000003050743 570531459 /nfs/dbraw/zinc/53/14/59/570531459.db2.gz FEGVVZFAGGYLCL-UHFFFAOYSA-N 0 0 386.923 6.200 50 30 GKEARN CCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCC2 ZINC000008453863 570532048 /nfs/dbraw/zinc/53/20/48/570532048.db2.gz CMBUDWKGIJEWTK-UHFFFAOYSA-N 0 0 384.608 6.699 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)Nc1ccccc1-2 ZINC000003002102 570532249 /nfs/dbraw/zinc/53/22/49/570532249.db2.gz HAZJGSAYUOASNM-SFHVURJKSA-N 0 0 394.525 5.042 50 30 GKEARN Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000005265339 570533025 /nfs/dbraw/zinc/53/30/25/570533025.db2.gz CRKMOWQLPDCLIG-UHFFFAOYSA-N 0 0 398.491 5.027 50 30 GKEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000036093478 570535545 /nfs/dbraw/zinc/53/55/45/570535545.db2.gz AXNFSPPJHCLVRS-DZRHBTRISA-N 0 0 387.508 5.084 50 30 GKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccco1 ZINC000036105136 570542004 /nfs/dbraw/zinc/54/20/04/570542004.db2.gz UHLPILFXOLFGLG-UHFFFAOYSA-N 0 0 396.512 5.267 50 30 GKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000006720439 570548623 /nfs/dbraw/zinc/54/86/23/570548623.db2.gz YKWHPSNUNRIVCP-QFIPXVFZSA-N 0 0 380.513 5.445 50 30 GKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000006720434 570548641 /nfs/dbraw/zinc/54/86/41/570548641.db2.gz UBEMHKNYXHUKAX-XMMPIXPASA-N 0 0 392.474 5.523 50 30 GKEARN O=C1ON(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000006720874 570549992 /nfs/dbraw/zinc/54/99/92/570549992.db2.gz LVKOZNCXJLKFKG-HXUWFJFHSA-N 0 0 394.814 5.146 50 30 GKEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1 ZINC000009234241 570552927 /nfs/dbraw/zinc/55/29/27/570552927.db2.gz ZPEBNEPTPIVKKF-UHFFFAOYSA-N 0 0 384.431 5.127 50 30 GKEARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733052 570557384 /nfs/dbraw/zinc/55/73/84/570557384.db2.gz JAMLEQAGFFRITG-FQEVSTJZSA-N 0 0 383.495 5.586 50 30 GKEARN COc1cc2c(cc1OC)-c1c(C#N)c(/N=N/c3ccc(C)cc3)c(C)n1CC2 ZINC000004334972 570574740 /nfs/dbraw/zinc/57/47/40/570574740.db2.gz XCMKSBLUZMMJFN-OCEACIFDSA-N 0 0 386.455 5.632 50 30 GKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)c3ccc(O)cc3O2)N1 ZINC000006763551 570575954 /nfs/dbraw/zinc/57/59/54/570575954.db2.gz OYBOZFLVLNRILV-WMZHIEFXSA-N 0 0 394.540 5.050 50 30 GKEARN Cc1cc(C)c(C#N)c(SC[C@]2(O)CCCC[C@H]2SCc2ccccc2)n1 ZINC000005394262 570584948 /nfs/dbraw/zinc/58/49/48/570584948.db2.gz UBMTXCPNVOHFHJ-IFMALSPDSA-N 0 0 398.597 5.269 50 30 GKEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2cccc(C)c2)c2c(C)oc(C)c21 ZINC000006783942 570590085 /nfs/dbraw/zinc/59/00/85/570590085.db2.gz OIKNHWJHVSVEHD-UHFFFAOYSA-N 0 0 399.490 6.041 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(Cl)c2)C12CCCC2 ZINC000005427330 570590337 /nfs/dbraw/zinc/59/03/37/570590337.db2.gz QTSRADJSEDGFML-UHFFFAOYSA-N 0 0 383.948 5.694 50 30 GKEARN C=CCNC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C ZINC000005446704 570595601 /nfs/dbraw/zinc/59/56/01/570595601.db2.gz XRSWQKQHLSCFCZ-UHFFFAOYSA-N 0 0 398.601 5.629 50 30 GKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C(C)(C)CC3)cc1 ZINC000003168615 570595744 /nfs/dbraw/zinc/59/57/44/570595744.db2.gz XUAWBYDUAXJPHN-XMMPIXPASA-N 0 0 383.491 6.158 50 30 GKEARN CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 ZINC000006791485 570596786 /nfs/dbraw/zinc/59/67/86/570596786.db2.gz JJXNYXMBEHHMOS-ZDUSSCGKSA-N 0 0 378.501 5.095 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sccc1C ZINC000005452226 570597821 /nfs/dbraw/zinc/59/78/21/570597821.db2.gz BEWGLMAZVOCWGG-HXUWFJFHSA-N 0 0 380.513 5.219 50 30 GKEARN CCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005454085 570598074 /nfs/dbraw/zinc/59/80/74/570598074.db2.gz DOVGUUQUTAALPR-UHFFFAOYSA-N 0 0 388.902 5.734 50 30 GKEARN Cc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccc1Br ZINC000006793798 570598212 /nfs/dbraw/zinc/59/82/12/570598212.db2.gz RRKGYGAWUFVXDV-UHFFFAOYSA-N 0 0 390.280 5.934 50 30 GKEARN CCCc1cc(SCc2ccc(Cl)cc2)n2c3ccccc3nc2c1C#N ZINC000005454032 570598270 /nfs/dbraw/zinc/59/82/70/570598270.db2.gz XFDUYHNIAYKFBF-UHFFFAOYSA-N 0 0 391.927 6.257 50 30 GKEARN CCc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)s1 ZINC000005471496 570604889 /nfs/dbraw/zinc/60/48/89/570604889.db2.gz PRIRWIBMRCWAPE-UHFFFAOYSA-N 0 0 384.541 5.711 50 30 GKEARN C=CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1 ZINC000006808529 570610238 /nfs/dbraw/zinc/61/02/38/570610238.db2.gz YMUKZQZUSXZPRB-UHFFFAOYSA-N 0 0 397.952 6.507 50 30 GKEARN O=C1/C(=N/OCc2c(Cl)cccc2Cl)c2ccccc2N1c1ccccc1 ZINC000005483760 570612128 /nfs/dbraw/zinc/61/21/28/570612128.db2.gz ZOCQYEWRDLKSLZ-HIXSDJFHSA-N 0 0 397.261 5.593 50 30 GKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)o1 ZINC000032999866 570617352 /nfs/dbraw/zinc/61/73/52/570617352.db2.gz HLCDGOXCGCCIDY-KRWDZBQOSA-N 0 0 399.450 5.867 50 30 GKEARN CCCCCCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000006817999 570620761 /nfs/dbraw/zinc/62/07/61/570620761.db2.gz COPRQJJMSFGPQV-FQEVSTJZSA-N 0 0 396.560 5.281 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(O)co1 ZINC000042765174 570622175 /nfs/dbraw/zinc/62/21/75/570622175.db2.gz SCMIWPGWSPIICN-UHFFFAOYSA-N 0 0 380.525 5.870 50 30 GKEARN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000005519552 570622878 /nfs/dbraw/zinc/62/28/78/570622878.db2.gz ROCZVFPCQCMNHX-YDZHTSKRSA-N 0 0 393.899 5.975 50 30 GKEARN Cc1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1Cl ZINC000033011037 570622940 /nfs/dbraw/zinc/62/29/40/570622940.db2.gz QGEQYKHDRCQBGI-UHFFFAOYSA-N 0 0 399.928 5.374 50 30 GKEARN Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 ZINC000006824912 570624011 /nfs/dbraw/zinc/62/40/11/570624011.db2.gz ACLLOECYHICEAT-ZWKOTPCHSA-N 0 0 392.911 5.991 50 30 GKEARN CCCCCCCCCCCCCCCCCCOC(=O)c1ccncc1 ZINC000043356581 570627656 /nfs/dbraw/zinc/62/76/56/570627656.db2.gz VXDJNEIVBJLMMZ-UHFFFAOYSA-N 0 0 375.597 7.500 50 30 GKEARN O=C(/C=C/c1ccc(Cl)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000004598251 570629456 /nfs/dbraw/zinc/62/94/56/570629456.db2.gz QWYSSOXMJHTXID-XVNBXDOJSA-N 0 0 389.632 5.105 50 30 GKEARN CCOc1ccccc1O[C@H]1CCCC[C@@H]1N(CCC#N)Cc1ccccc1 ZINC000044125523 570632036 /nfs/dbraw/zinc/63/20/36/570632036.db2.gz RRUIMUSBHYCRSA-VXKWHMMOSA-N 0 0 378.516 5.191 50 30 GKEARN Brc1ccc(-c2ccc(C=NNc3ccc4ccccc4c3)o2)cc1 ZINC000005555001 570633348 /nfs/dbraw/zinc/63/33/48/570633348.db2.gz ATKJNYZIWRLQBN-OEAKJJBVSA-N 0 0 391.268 6.308 50 30 GKEARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)cc1C ZINC000036349818 570633513 /nfs/dbraw/zinc/63/35/13/570633513.db2.gz AVXOSWKMVFOPOR-UHFFFAOYSA-N 0 0 389.524 6.173 50 30 GKEARN Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(NC(C)C)o3)cccc2c1=O ZINC000036354287 570635490 /nfs/dbraw/zinc/63/54/90/570635490.db2.gz TWOZZJBXJMIQJD-UHFFFAOYSA-N 0 0 385.423 5.115 50 30 GKEARN O=C(c1ccccc1)C1=C(c2ccccc2)O[C@@H](c2ccc(Cl)cc2)OC1=O ZINC000002077809 570643460 /nfs/dbraw/zinc/64/34/60/570643460.db2.gz USKJNABXEIYYSE-HSZRJFAPSA-N 0 0 390.822 5.206 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccc(Br)cc1 ZINC000012339531 570645297 /nfs/dbraw/zinc/64/52/97/570645297.db2.gz BOYUWRVHTCLLJC-DJAVKIJBSA-N 0 0 391.264 5.849 50 30 GKEARN COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1 ZINC000000843751 570647328 /nfs/dbraw/zinc/64/73/28/570647328.db2.gz HSQIZMYZKZMLNW-VWLOTQADSA-N 0 0 383.491 6.158 50 30 GKEARN Cn1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006850702 570648501 /nfs/dbraw/zinc/64/85/01/570648501.db2.gz FCTPBDRHENHPEA-IBGZPJMESA-N 0 0 376.529 5.007 50 30 GKEARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000012406355 570653554 /nfs/dbraw/zinc/65/35/54/570653554.db2.gz XIRMLMISGPDSDB-GZLKSEPQSA-N 0 0 387.310 6.055 50 30 GKEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 ZINC000012406426 570654033 /nfs/dbraw/zinc/65/40/33/570654033.db2.gz FMWHASSLWZGTDN-YUBSNBEWSA-N 0 0 376.500 5.572 50 30 GKEARN CCOC(=O)c1cccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c1 ZINC000012411165 570655931 /nfs/dbraw/zinc/65/59/31/570655931.db2.gz NTWIRJOWUCOVNJ-MOSHPQCFSA-N 0 0 376.433 5.453 50 30 GKEARN N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000005579086 570659061 /nfs/dbraw/zinc/65/90/61/570659061.db2.gz IVHKROZPLAPYFA-UHFFFAOYSA-N 0 0 378.815 5.021 50 30 GKEARN Cc1cccc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O ZINC000004603376 570660579 /nfs/dbraw/zinc/66/05/79/570660579.db2.gz UMHCPIKMPCGDJH-CVKSISIWSA-N 0 0 384.479 6.557 50 30 GKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000013627463 570662925 /nfs/dbraw/zinc/66/29/25/570662925.db2.gz SSMQGBXIBFRGHU-WSHPORRNSA-N 0 0 386.378 5.061 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)cc1C ZINC000033027054 570662932 /nfs/dbraw/zinc/66/29/32/570662932.db2.gz VNELBHRQQOOKRG-UHFFFAOYSA-N 0 0 389.411 5.207 50 30 GKEARN Cc1cccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)c1 ZINC000003117092 570664043 /nfs/dbraw/zinc/66/40/43/570664043.db2.gz FSYZIIAHLFCHOR-BRJLIKDPSA-N 0 0 390.870 6.530 50 30 GKEARN CC1CCN(CC(=O)Nc2ncc(Cc3cccc4ccccc43)s2)CC1 ZINC000049713837 570665226 /nfs/dbraw/zinc/66/52/26/570665226.db2.gz QAPGNWLOFCUILH-UHFFFAOYSA-N 0 0 379.529 5.207 50 30 GKEARN Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1Cl ZINC000012445199 570666122 /nfs/dbraw/zinc/66/61/22/570666122.db2.gz RZTZWTUZTLQBOJ-OCKHKDLRSA-N 0 0 397.839 6.146 50 30 GKEARN CCC[C@@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000004620364 570667232 /nfs/dbraw/zinc/66/72/32/570667232.db2.gz RWQAAIUQOMXTBN-CQSZACIVSA-N 0 0 398.984 7.283 50 30 GKEARN Cc1ccc(/N=C2/c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000012447515 570667344 /nfs/dbraw/zinc/66/73/44/570667344.db2.gz SKCMVVXKXGNGLZ-RFBIWTDZSA-N 0 0 376.459 5.816 50 30 GKEARN C=CCn1c2ccccc2nc1SCC(=O)Nc1c(C)cccc1C(C)C ZINC000005619110 570669458 /nfs/dbraw/zinc/66/94/58/570669458.db2.gz BSRVQDZXOUNFFC-UHFFFAOYSA-N 0 0 379.529 5.385 50 30 GKEARN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1cccc(C)c1 ZINC000012462709 570670745 /nfs/dbraw/zinc/67/07/45/570670745.db2.gz YKEMLGJYBKTIDZ-FLFQWRMESA-N 0 0 377.557 6.276 50 30 GKEARN O=C1C=CC(=[NH+][N-]c2ccc(Cl)cc2)C=C1C=Nc1cccc2ccccc21 ZINC000004615566 570672147 /nfs/dbraw/zinc/67/21/47/570672147.db2.gz QZJGUQMMXHNPSY-RVTFTXCGSA-N 0 0 385.854 7.365 50 30 GKEARN CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(-c3ccccc3)c2CS1 ZINC000013739181 570673655 /nfs/dbraw/zinc/67/36/55/570673655.db2.gz VDVOBEHJWASAGC-UHFFFAOYSA-N 0 0 377.557 5.933 50 30 GKEARN CN1c2ccccc2S/C1=C/C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000685944436 570675432 /nfs/dbraw/zinc/67/54/32/570675432.db2.gz LSNOHJMQIPGIAK-FYJGNVAPSA-N 0 0 379.569 6.524 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC000006885647 570675575 /nfs/dbraw/zinc/67/55/75/570675575.db2.gz BRBZFBRAGVUXSR-MDWZMJQESA-N 0 0 387.693 7.210 50 30 GKEARN CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)cc1 ZINC000004340682 570675994 /nfs/dbraw/zinc/67/59/94/570675994.db2.gz PDMKCMOMDFDYDT-WYMLVPIESA-N 0 0 376.408 5.028 50 30 GKEARN Cc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c(C#N)c(C)c1C ZINC000005658672 570680427 /nfs/dbraw/zinc/68/04/27/570680427.db2.gz GKJCUOCFFQXKHT-UHFFFAOYSA-N 0 0 387.508 5.336 50 30 GKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000005787371 570689911 /nfs/dbraw/zinc/68/99/11/570689911.db2.gz OIVKUSWMDOLWGJ-MRXNPFEDSA-N 0 0 395.673 5.158 50 30 GKEARN N#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000032616753 570694781 /nfs/dbraw/zinc/69/47/81/570694781.db2.gz SZWDATHFELJBPJ-UHFFFAOYSA-N 0 0 385.264 6.203 50 30 GKEARN COc1ccccc1-c1nnc(SCc2cccc(C#N)c2)n1-c1ccccc1 ZINC000004356671 570696379 /nfs/dbraw/zinc/69/63/79/570696379.db2.gz BFNGCZVUTOAXDB-UHFFFAOYSA-N 0 0 398.491 5.107 50 30 GKEARN Cc1c(C(=O)/C=C\c2ccc(COc3c(Cl)cccc3Cl)o2)cnn1C ZINC000006921746 570706987 /nfs/dbraw/zinc/70/69/87/570706987.db2.gz HYDABOHXPYUHMW-HJWRWDBZSA-N 0 0 391.254 5.103 50 30 GKEARN Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CCOC4)sc2c1 ZINC000000892384 570709489 /nfs/dbraw/zinc/70/94/89/570709489.db2.gz OSXMQAYGCKTHAK-UHFFFAOYSA-N 0 0 388.901 5.121 50 30 GKEARN N#Cc1c(C=Cc2ccccc2)c2c(nc1SCC(=O)c1ccccc1)CCC2 ZINC000004366213 570716249 /nfs/dbraw/zinc/71/62/49/570716249.db2.gz IOOVLMRWJAPIHT-PFONDFGASA-N 0 0 396.515 5.587 50 30 GKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000058196689 570718297 /nfs/dbraw/zinc/71/82/97/570718297.db2.gz NIQWJSUUPVGXFO-OBGWFSINSA-N 0 0 392.502 6.172 50 30 GKEARN Cc1ccc2nc(C)c(C(=O)/C=C/c3ccccc3C)c(-c3ccccc3)c2c1 ZINC000058196721 570718389 /nfs/dbraw/zinc/71/83/89/570718389.db2.gz JZISEZBAMZRGNQ-JQIJEIRASA-N 0 0 377.487 6.723 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@@H]1CCCC[C@H]1O ZINC000005660629 570722365 /nfs/dbraw/zinc/72/23/65/570722365.db2.gz YYBVSBOQJAUGGP-DHIUTWEWSA-N 0 0 386.520 5.683 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1 ZINC000025075859 570722581 /nfs/dbraw/zinc/72/25/81/570722581.db2.gz XPCACXVMMSBFDW-LJQANCHMSA-N 0 0 394.471 5.408 50 30 GKEARN N#C[C@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C1 ZINC000012970741 570733188 /nfs/dbraw/zinc/73/31/88/570733188.db2.gz ASUPIQDEXIHRJY-SANMLTNESA-N 0 0 394.905 6.505 50 30 GKEARN O=C(Cc1c(Cl)cccc1Cl)Nc1n[nH]c(SCc2ccccc2)n1 ZINC000012974508 570733936 /nfs/dbraw/zinc/73/39/36/570733936.db2.gz UQOZGBKSTQIQLL-UHFFFAOYSA-N 0 0 393.299 5.235 50 30 GKEARN C#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C(C)C)cc1 ZINC000003129595 570738377 /nfs/dbraw/zinc/73/83/77/570738377.db2.gz RSRCMZJBZBQPIL-UHFFFAOYSA-N 0 0 389.568 6.081 50 30 GKEARN O=C(c1ccc(Cl)cc1)n1ccc(-c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000003137689 570738726 /nfs/dbraw/zinc/73/87/26/570738726.db2.gz RQBCJWFZNPWYFP-UHFFFAOYSA-N 0 0 382.850 5.292 50 30 GKEARN N#C[C@]1(C(F)(F)F)CSC2(C3CC4CC(C3)CC2C4)[C@@]1(C#N)C(F)(F)F ZINC000000970143 570740395 /nfs/dbraw/zinc/74/03/95/570740395.db2.gz NNDIWINPKPGCCY-LEPBTCBTSA-N 0 0 394.384 5.073 50 30 GKEARN O=[N+]([O-])c1ccc(-n2cccc2/C=N/C(c2ccccc2)c2ccccc2)cc1 ZINC000000973109 570740924 /nfs/dbraw/zinc/74/09/24/570740924.db2.gz BRAQGSKLMORSHR-XIEYBQDHSA-N 0 0 381.435 5.594 50 30 GKEARN Cc1cc(C)c(C#N)c(NC(=O)c2ccccc2SCc2ccc(F)cc2)c1 ZINC000000981526 570742985 /nfs/dbraw/zinc/74/29/85/570742985.db2.gz QSKQPRNVEUDWLV-UHFFFAOYSA-N 0 0 390.483 5.859 50 30 GKEARN COc1ccc([C@H](CC#N)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000984277 570743380 /nfs/dbraw/zinc/74/33/80/570743380.db2.gz MMKZAQPKWHJOGQ-GJZGRUSLSA-N 0 0 375.255 5.315 50 30 GKEARN Clc1ccccc1Cn1c2ccccc2nc1/N=C/c1ccc2c(c1)OCO2 ZINC000000999295 570744543 /nfs/dbraw/zinc/74/45/43/570744543.db2.gz DWWPELLRJFBBSM-WYMPLXKRSA-N 0 0 389.842 5.217 50 30 GKEARN C=CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000003119794 570745931 /nfs/dbraw/zinc/74/59/31/570745931.db2.gz BJSJWVISSPDZRM-UHFFFAOYSA-N 0 0 383.948 6.163 50 30 GKEARN CSc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001025780 570747156 /nfs/dbraw/zinc/74/71/56/570747156.db2.gz BSMUCANIKIIEPV-HSZRJFAPSA-N 0 0 392.568 6.247 50 30 GKEARN N#Cc1c(Sc2ccccc2N)nc(-c2cccs2)cc1C(F)(F)F ZINC000001042669 570748135 /nfs/dbraw/zinc/74/81/35/570748135.db2.gz LREDPBINCUVJGY-UHFFFAOYSA-N 0 0 377.416 5.434 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccs1 ZINC000001079493 570750554 /nfs/dbraw/zinc/75/05/54/570750554.db2.gz HJVAGIZBGKWNIS-ZDUSSCGKSA-N 0 0 387.451 5.190 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1F ZINC000001079584 570750765 /nfs/dbraw/zinc/75/07/65/570750765.db2.gz WSDXCNRUCZNBFZ-HNNXBMFYSA-N 0 0 387.813 5.146 50 30 GKEARN C[C@@H]1Oc2ccccc2C=C1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000013617346 570762952 /nfs/dbraw/zinc/76/29/52/570762952.db2.gz PFVKCNKZZNRPFR-QFGIDJEJSA-N 0 0 393.442 5.959 50 30 GKEARN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)c1C#N ZINC000007059729 570775761 /nfs/dbraw/zinc/77/57/61/570775761.db2.gz LRMUJHWAFBVVGJ-QGZVFWFLSA-N 0 0 381.545 5.430 50 30 GKEARN CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cc(Cl)ccc1Cl ZINC000100873154 570778247 /nfs/dbraw/zinc/77/82/47/570778247.db2.gz JHQRQKLQCQQMHJ-YBEGLDIGSA-N 0 0 378.280 5.566 50 30 GKEARN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2CCCC)cc1 ZINC000100959281 570783390 /nfs/dbraw/zinc/78/33/90/570783390.db2.gz CTTOFPJDBSUFFN-YUXAGFNASA-N 0 0 386.580 5.788 50 30 GKEARN CCOC(=O)c1c(NC=C2Sc3ccccc3C2=O)sc2c1CCCCC2 ZINC000100981980 570784517 /nfs/dbraw/zinc/78/45/17/570784517.db2.gz DRCKHGWUXLNEPJ-ATVHPVEESA-N 0 0 399.537 5.436 50 30 GKEARN C[Si](C)(C)Cc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000169793670 570785612 /nfs/dbraw/zinc/78/56/12/570785612.db2.gz UPYPHMYSCHOVPD-WUKNDPDISA-N 0 0 394.590 7.309 50 30 GKEARN O=C(NCc1ccccc1)c1c(/N=C\c2cccs2)sc2c1CCCC2 ZINC000015188676 570786946 /nfs/dbraw/zinc/78/69/46/570786946.db2.gz UYZDDWHZKHALQO-UCQKPKSFSA-N 0 0 380.538 5.369 50 30 GKEARN CC(=O)C(Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1)=C(C)O ZINC000015218344 570787396 /nfs/dbraw/zinc/78/73/96/570787396.db2.gz FHQVYPYFONNOOD-SFQUDFHCSA-N 0 0 385.876 5.058 50 30 GKEARN C=CCOc1c(Cl)cc(Cl)cc1/N=N/c1ccc(Br)cc1 ZINC000101056576 570788844 /nfs/dbraw/zinc/78/88/44/570788844.db2.gz GKSHXFKTOZJFON-FMQUCBEESA-N 0 0 386.076 6.736 50 30 GKEARN Cc1cc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1 ZINC000018026078 570795124 /nfs/dbraw/zinc/79/51/24/570795124.db2.gz PXLRLUPMZMGHAO-UHFFFAOYSA-N 0 0 381.404 5.289 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Br)sc2C1 ZINC000001217302 570795538 /nfs/dbraw/zinc/79/55/38/570795538.db2.gz AZPCCQVVLZMSBU-NSHDSACASA-N 0 0 389.318 5.149 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(Nc4ccccc4)cc3)ccc21 ZINC000003161944 570795823 /nfs/dbraw/zinc/79/58/23/570795823.db2.gz FCFMAZMPHNLREB-TURZUDJPSA-N 0 0 389.502 7.309 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000004474729 570798478 /nfs/dbraw/zinc/79/84/78/570798478.db2.gz HVHCNOCAQUGOSS-GIDUJCDVSA-N 0 0 378.855 5.824 50 30 biogenic GKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(O)c1 ZINC000004475449 570798662 /nfs/dbraw/zinc/79/86/62/570798662.db2.gz SHTKZRQTWNXAEB-RGVLZGJSSA-N 0 0 388.290 5.114 50 30 GKEARN CCCOc1ccccc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O ZINC000005899653 570802030 /nfs/dbraw/zinc/80/20/30/570802030.db2.gz WOJBJAWPDSSTMH-LDADJPATSA-N 0 0 386.904 5.329 50 30 GKEARN COc1ccc(NC2=NC(=S)N(c3cccc(Cl)c3)C23CCCCC3)cc1 ZINC000013940282 570807081 /nfs/dbraw/zinc/80/70/81/570807081.db2.gz MHGWXPVYJCHMGT-UHFFFAOYSA-N 0 0 399.947 5.476 50 30 GKEARN O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCC2 ZINC000018173447 570807430 /nfs/dbraw/zinc/80/74/30/570807430.db2.gz YHOMPCJATDZAAX-OEAKJJBVSA-N 0 0 376.481 5.335 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCO3 ZINC000018197448 570808912 /nfs/dbraw/zinc/80/89/12/570808912.db2.gz PCLMXIXWBZJXGB-HXUWFJFHSA-N 0 0 381.859 5.269 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000033096937 570809671 /nfs/dbraw/zinc/80/96/71/570809671.db2.gz USRSSIFPWFCXMP-JLPGSUDCSA-N 0 0 396.604 5.559 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc(O)c4)c3c2C1 ZINC000033097076 570809690 /nfs/dbraw/zinc/80/96/90/570809690.db2.gz LBJIJJHEFFVDTQ-WWPWHYENSA-N 0 0 394.544 5.384 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](C)Oc3ccc(C)cc3C)sc2C1 ZINC000005984688 570811526 /nfs/dbraw/zinc/81/15/26/570811526.db2.gz XUBGARVOXUKTSA-JKSUJKDBSA-N 0 0 382.529 5.158 50 30 GKEARN CC(=O)N(c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000004663152 570812014 /nfs/dbraw/zinc/81/20/14/570812014.db2.gz APNMJQDMZJAOPF-UHFFFAOYSA-N 0 0 389.458 5.972 50 30 GKEARN O=C1c2ccccc2/C(=N\c2ccccc2)[C@H]1c1cccc(Br)c1 ZINC000018285366 570813271 /nfs/dbraw/zinc/81/32/71/570813271.db2.gz LOWAVSRANSPYOF-VKQKAZQBSA-N 0 0 376.253 5.550 50 30 GKEARN FC(F)Sc1ccc(/N=C2\NN=C(c3c[nH]c4ccccc43)CS2)cc1 ZINC000005694275 570813571 /nfs/dbraw/zinc/81/35/71/570813571.db2.gz VWBBSNZZZFZCKA-UHFFFAOYSA-N 0 0 388.468 5.211 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c12 ZINC000001782466 570814014 /nfs/dbraw/zinc/81/40/14/570814014.db2.gz RYFXEQNAOKMKIL-HSZRJFAPSA-N 0 0 394.301 6.820 50 30 GKEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F ZINC000101406894 570821943 /nfs/dbraw/zinc/82/19/43/570821943.db2.gz DIANDPRMUBIILF-LTHRQQGRSA-N 0 0 395.474 5.182 50 30 GKEARN CCOC(=O)c1c(NC=C2Sc3ccccc3C2=O)sc2c1CCCCC2 ZINC000101557192 570826941 /nfs/dbraw/zinc/82/69/41/570826941.db2.gz DRCKHGWUXLNEPJ-SFQUDFHCSA-N 0 0 399.537 5.436 50 30 GKEARN Cc1c/c(=N\c2ccc(C3CCCCC3)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000102491816 570849696 /nfs/dbraw/zinc/84/96/96/570849696.db2.gz JNEGGBSMRLIPFZ-SOYKGTTHSA-N 0 0 380.495 5.881 50 30 GKEARN CCc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(CC)cc4)cccc23)cc1 ZINC000004703554 570854508 /nfs/dbraw/zinc/85/45/08/570854508.db2.gz LBGWRDGYROGLCM-CZYCKNNWSA-N 0 0 390.530 7.466 50 30 GKEARN N#Cc1c(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)sc1Nc1ccccc1 ZINC000004543789 570855626 /nfs/dbraw/zinc/85/56/26/570855626.db2.gz FPNYJDRMIDQJQE-UHFFFAOYSA-N 0 0 377.513 5.345 50 30 GKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000044085543 570862269 /nfs/dbraw/zinc/86/22/69/570862269.db2.gz XAISCUFMWQFBPK-UHFFFAOYSA-N 0 0 375.324 6.433 50 30 GKEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044085719 570862550 /nfs/dbraw/zinc/86/25/50/570862550.db2.gz TXNVJVSORGTZCO-UHFFFAOYSA-N 0 0 397.931 5.429 50 30 GKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1C ZINC000044086897 570863383 /nfs/dbraw/zinc/86/33/83/570863383.db2.gz WIFHZYRAFIWMBF-UHFFFAOYSA-N 0 0 385.330 5.888 50 30 GKEARN COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1OC ZINC000102823191 570865883 /nfs/dbraw/zinc/86/58/83/570865883.db2.gz GKMUQUATHSONAX-NBVRZTHBSA-N 0 0 385.419 5.269 50 30 GKEARN Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(-c4ccccc4Cl)o3)o2)cc1 ZINC000102972438 570872794 /nfs/dbraw/zinc/87/27/94/570872794.db2.gz MMYYYYWSJCEAQM-BENRWUELSA-N 0 0 388.850 7.065 50 30 GKEARN Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCCC3)o1 ZINC000004554185 570880690 /nfs/dbraw/zinc/88/06/90/570880690.db2.gz UVGQTYPYBKRSSC-FSJBWODESA-N 0 0 398.915 6.185 50 30 GKEARN C=CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655450 570881246 /nfs/dbraw/zinc/88/12/46/570881246.db2.gz KRLDIPGOMAQJTG-UHFFFAOYSA-N 0 0 397.430 5.481 50 30 GKEARN O=C1c2ccccc2S/C1=C/c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000015231471 570886390 /nfs/dbraw/zinc/88/63/90/570886390.db2.gz GTEVRVQQNPLATQ-PJQLUOCWSA-N 0 0 375.232 5.429 50 30 GKEARN CCc1cccc(CC)c1NC(=O)CON=C1c2ccccc2-c2ccccc21 ZINC000012600626 570886867 /nfs/dbraw/zinc/88/68/67/570886867.db2.gz ZLJIDUIVMJIHHB-UHFFFAOYSA-N 0 0 384.479 5.200 50 30 GKEARN O=C(NCC#Cc1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000032899020 570888401 /nfs/dbraw/zinc/88/84/01/570888401.db2.gz ASXISZHAAHYTFC-UHFFFAOYSA-N 0 0 379.381 5.154 50 30 GKEARN CCCCCCCCC/C=C\C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000103924803 570890221 /nfs/dbraw/zinc/89/02/21/570890221.db2.gz ZBLYBBCUWIWODA-FNDLEWIFSA-N 0 0 393.593 5.306 50 30 GKEARN O=C(/C=C1\Sc2ccccc2N1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000103924175 570890351 /nfs/dbraw/zinc/89/03/51/570890351.db2.gz HGKRQOPIZBKJFX-HMAPJEAMSA-N 0 0 388.448 5.431 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)cc1 ZINC000010218099 570892346 /nfs/dbraw/zinc/89/23/46/570892346.db2.gz BPRXBFYICDYOLH-UHFFFAOYSA-N 0 0 397.500 5.332 50 30 GKEARN COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)ccc1C ZINC000004550838 570896874 /nfs/dbraw/zinc/89/68/74/570896874.db2.gz XZTLVGOSAQTIIE-AUCMGLCLSA-N 0 0 386.904 5.199 50 30 GKEARN N#Cc1c(C=CNc2ccc(Cl)cc2)onc1-c1c(Cl)cccc1Cl ZINC000100401482 570899946 /nfs/dbraw/zinc/89/99/46/570899946.db2.gz NFQWQRNWQMLUAI-CMDGGOBGSA-N 0 0 390.657 6.256 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1O ZINC000015660005 570900966 /nfs/dbraw/zinc/90/09/66/570900966.db2.gz DBDJFNMVKTXUCK-RGVLZGJSSA-N 0 0 388.290 5.114 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000107855461 570902272 /nfs/dbraw/zinc/90/22/72/570902272.db2.gz WCHUABIOEGJTRD-YPNDZAIESA-N 0 0 392.926 6.164 50 30 GKEARN COc1ccccc1/C=C1\C[C@@H](C(C)(C)C)C/C(=C/c2ccccc2OC)C1=O ZINC000250701968 570902696 /nfs/dbraw/zinc/90/26/96/570902696.db2.gz OKTVPYPAHDZGIJ-JAMNRSEDSA-N 0 0 390.523 6.196 50 30 GKEARN Cc1ccccc1/C=C1\C[C@@H](c2ccccc2)C/C(=C/c2ccccc2C)C1=O ZINC000251142231 570903668 /nfs/dbraw/zinc/90/36/68/570903668.db2.gz CERKMSUKHYOQEO-AOKVFFLDSA-N 0 0 378.515 6.917 50 30 GKEARN CC1=CC[C@H]2C(C)(C)/C(=N\O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000004025761 570903940 /nfs/dbraw/zinc/90/39/40/570903940.db2.gz QYLWHDVJPCDLGF-MYKDGLNWSA-N 0 0 395.499 5.411 50 30 biogenic GKEARN COc1cc(Cl)c(C)cc1NC=CC(=O)c1ccc(Br)cc1 ZINC000051318605 570911156 /nfs/dbraw/zinc/91/11/56/570911156.db2.gz HVDYHNXZCZULFC-BQYQJAHWSA-N 0 0 380.669 5.228 50 30 GKEARN COc1ccc(C(=O)C=CNc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 ZINC000016216143 570918004 /nfs/dbraw/zinc/91/80/04/570918004.db2.gz ZEWJTJQLKIQUOB-YPKPFQOOSA-N 0 0 391.854 5.388 50 30 GKEARN CCCc1cc(Nc2ccc(N(CC)CC)cc2)n2c3ccccc3nc2c1C#N ZINC000016945806 570918210 /nfs/dbraw/zinc/91/82/10/570918210.db2.gz KFARGXIXVBQTDQ-UHFFFAOYSA-N 0 0 397.526 5.901 50 30 GKEARN COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2Cl)NC1=O ZINC000016227883 570918457 /nfs/dbraw/zinc/91/84/57/570918457.db2.gz SEUSMXXLRBWDHA-UNOMPAQXSA-N 0 0 394.883 5.393 50 30 GKEARN Cc1c2cc(Cl)ccc2sc1C(C)N=Nc1c(Cl)cncc1Cl ZINC000004587191 570921844 /nfs/dbraw/zinc/92/18/44/570921844.db2.gz DTKNMIQVOOJDFS-ZVBGSRNCSA-N 0 0 384.719 6.401 50 30 GKEARN CCCCCCCc1c2c(N)c(C(=O)c3ccccc3)sc2nc(N)c1C#N ZINC000105414369 570924215 /nfs/dbraw/zinc/92/42/15/570924215.db2.gz YUMVWXACYGTQSQ-UHFFFAOYSA-N 0 0 392.528 5.076 50 30 GKEARN C=CCN(C(=O)c1ccccc1)[C@@H](C#N)c1ccccc1OCc1ccccc1 ZINC000001078983 570931325 /nfs/dbraw/zinc/93/13/25/570931325.db2.gz OUTFLSVCYLNOHP-QHCPKHFHSA-N 0 0 382.463 5.159 50 30 GKEARN Cc1cc(Oc2ccc(C#N)c(C#N)c2)cc(Oc2ccc(C#N)c(C#N)c2)c1 ZINC000000639054 570949139 /nfs/dbraw/zinc/94/91/39/570949139.db2.gz UYCWCTFFFTYHPF-UHFFFAOYSA-N 0 0 376.375 5.066 50 30 GKEARN CC(C)(C)c1ccc(CSc2nc3c(c(-c4cccnc4)c2C#N)CCC3)cc1 ZINC000002119210 570950384 /nfs/dbraw/zinc/95/03/84/570950384.db2.gz BWIFUQXPZFDPMD-UHFFFAOYSA-N 0 0 399.563 6.094 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000018190065 570950929 /nfs/dbraw/zinc/95/09/29/570950929.db2.gz RMBGQJMJDUUVDJ-JOCHJYFZSA-N 0 0 380.919 6.179 50 30 GKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)cc1 ZINC000004740385 570954198 /nfs/dbraw/zinc/95/41/98/570954198.db2.gz LJKFMUWFYVZIHV-LYBHJNIJSA-N 0 0 380.875 5.402 50 30 GKEARN C[C@@H]1CC(=Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000252426820 570955019 /nfs/dbraw/zinc/95/50/19/570955019.db2.gz MJECSVCVHXKOPD-OAHLLOKOSA-N 0 0 376.406 5.525 50 30 GKEARN CC(C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1)=Cc1ccccc1 ZINC000252429525 570955518 /nfs/dbraw/zinc/95/55/18/570955518.db2.gz ZOTVILGFFUSLAH-GHFXUULHSA-N 0 0 376.529 5.469 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1c(Cl)cccc1Cl ZINC000252429400 570955605 /nfs/dbraw/zinc/95/56/05/570955605.db2.gz LEFPZYTXRPRXEN-UHFFFAOYSA-N 0 0 383.691 5.076 50 30 GKEARN N#Cc1ccc(C=Nc2cccc3c(N=Cc4ccc(C#N)cc4)cccc23)cc1 ZINC000252460747 570960038 /nfs/dbraw/zinc/96/00/38/570960038.db2.gz HWEDEYZWDWILRB-UHFFFAOYSA-N 0 0 384.442 6.084 50 30 GKEARN Cc1c(Cc2ccccc2)sc(N=Cc2ccc3ccccc3c2)c1C(N)=O ZINC000252460540 570960052 /nfs/dbraw/zinc/96/00/52/570960052.db2.gz GEAGDHRIXNWKKF-UHFFFAOYSA-N 0 0 384.504 5.650 50 30 GKEARN CCN(CC)c1ccc(C=Nc2ccccc2C(=O)Nc2ccccc2)c(O)c1 ZINC000252460288 570960152 /nfs/dbraw/zinc/96/01/52/570960152.db2.gz DCNSBLZLNKQIFF-UHFFFAOYSA-N 0 0 387.483 5.241 50 30 GKEARN Cc1nn(-c2ccccc2)c(CSC2=Nc3ccccc3CS2)c1C#N ZINC000023199741 570960347 /nfs/dbraw/zinc/96/03/47/570960347.db2.gz ZZXTXKJVXHIWER-UHFFFAOYSA-N 0 0 376.510 5.220 50 30 GKEARN C=C[C@@H]1CC12c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000063142572 570996704 /nfs/dbraw/zinc/99/67/04/570996704.db2.gz LZJYNJKWXMMBDE-SNVBAGLBSA-N 0 0 376.091 5.684 50 30 GKEARN CCOC(=O)c1c(C)oc(/N=C/c2ccc(C)cc2)c1-c1ccc(OC)cc1 ZINC000003122116 570966662 /nfs/dbraw/zinc/96/66/62/570966662.db2.gz OJZVHJWRYZUOHP-ZVHZXABRSA-N 0 0 377.440 5.499 50 30 GKEARN N#Cc1c(Sc2ccc(Cl)cc2)cccc1Sc1ccc(Cl)cc1 ZINC000002156848 570972573 /nfs/dbraw/zinc/97/25/73/570972573.db2.gz COJCKOCICDWRGU-UHFFFAOYSA-N 0 0 388.344 7.167 50 30 GKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000004767632 570972767 /nfs/dbraw/zinc/97/27/67/570972767.db2.gz PDPDCOKNYBAZDU-NRFANRHFSA-N 0 0 378.472 5.013 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)O1 ZINC000001390829 570978091 /nfs/dbraw/zinc/97/80/91/570978091.db2.gz KIZZGYPNLVSPQY-PBHICJAKSA-N 0 0 387.262 5.425 50 30 GKEARN CSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccccc2)n1 ZINC000033325302 570979447 /nfs/dbraw/zinc/97/94/47/570979447.db2.gz OVVMMZFTDMMEQK-UHFFFAOYSA-N 0 0 386.402 5.500 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000044842974 570979868 /nfs/dbraw/zinc/97/98/68/570979868.db2.gz XEBUKKJLYMDODR-ISLYRVAYSA-N 0 0 387.479 6.466 50 30 GKEARN N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000001402906 570981201 /nfs/dbraw/zinc/98/12/01/570981201.db2.gz VWWPYALJXNCFCM-UHFFFAOYSA-N 0 0 389.669 5.395 50 30 GKEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCc1ccccc1Cl ZINC000001402683 570981447 /nfs/dbraw/zinc/98/14/47/570981447.db2.gz VUUZVGKNQLHLEF-UHFFFAOYSA-N 0 0 384.913 5.379 50 30 GKEARN Cc1cccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)c1 ZINC000004184030 570982750 /nfs/dbraw/zinc/98/27/50/570982750.db2.gz VNLCCRPHBRDVQP-UHFFFAOYSA-N 0 0 396.519 5.715 50 30 GKEARN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000004181729 570983236 /nfs/dbraw/zinc/98/32/36/570983236.db2.gz DBKKKIRVRISFJD-ZMOSYRSNSA-N 0 0 394.518 6.581 50 30 GKEARN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)c(Br)c1 ZINC000044975011 570985131 /nfs/dbraw/zinc/98/51/31/570985131.db2.gz KLXHTKWZIOCUAI-CMDGGOBGSA-N 0 0 395.094 5.329 50 30 GKEARN O=C1c2ccccc2[C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000001408923 570985181 /nfs/dbraw/zinc/98/51/81/570985181.db2.gz UGOMBOCOCASTDK-LFVRLGFBSA-N 0 0 398.487 5.276 50 30 GKEARN O=C1c2ccccc2[C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000001408925 570985203 /nfs/dbraw/zinc/98/52/03/570985203.db2.gz UGOMBOCOCASTDK-PSLXWICFSA-N 0 0 398.487 5.276 50 30 GKEARN Cc1oc(-c2cccs2)nc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000084053024 570992173 /nfs/dbraw/zinc/99/21/73/570992173.db2.gz COFYNBWHWOIEQG-UHFFFAOYSA-N 0 0 383.498 5.166 50 30 GKEARN Cc1cc(-c2cc(C(=O)Nc3sccc3C#N)c3c(C)noc3n2)c(C)s1 ZINC000084081903 570996587 /nfs/dbraw/zinc/99/65/87/570996587.db2.gz ARYFXUANYPYBRU-UHFFFAOYSA-N 0 0 394.481 5.062 50 30 GKEARN CCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002197359 570996864 /nfs/dbraw/zinc/99/68/64/570996864.db2.gz FDUPPQAGGMLORO-UHFFFAOYSA-N 0 0 388.492 5.333 50 30 GKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000252588373 570997086 /nfs/dbraw/zinc/99/70/86/570997086.db2.gz ABMFRANAVZNRDC-UHFFFAOYSA-N 0 0 397.261 6.561 50 30 GKEARN Cc1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1C=Nc1ccc(C)cc1 ZINC000252589838 570997591 /nfs/dbraw/zinc/99/75/91/570997591.db2.gz ANTQZFYDMRSAEH-UHFFFAOYSA-N 0 0 397.547 6.699 50 30 GKEARN Cc1[nH]c2ccccc2c1C=Nc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn21 ZINC000252589079 570997622 /nfs/dbraw/zinc/99/76/22/570997622.db2.gz AGWPLBZQABPALK-UHFFFAOYSA-N 0 0 395.422 5.450 50 30 GKEARN Fc1ccc(-c2nc3cc(N=Cc4ccc(Br)cc4)ccc3[nH]2)cc1 ZINC000252588837 570997735 /nfs/dbraw/zinc/99/77/35/570997735.db2.gz AESAVIBQJBTFJV-UHFFFAOYSA-N 0 0 394.247 5.882 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000002200680 570998934 /nfs/dbraw/zinc/99/89/34/570998934.db2.gz DYBGTOGVAYUSGH-JOCHJYFZSA-N 0 0 386.432 5.461 50 30 GKEARN Fc1ccccc1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000004812307 570999109 /nfs/dbraw/zinc/99/91/09/570999109.db2.gz TZNQDFJRURZXPQ-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN Cc1ccc2nc(N=NCc3cc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000004812150 570999249 /nfs/dbraw/zinc/99/92/49/570999249.db2.gz YDHHDSRLKBLBCV-MFKUBSTISA-N 0 0 377.451 5.533 50 30 GKEARN Cc1cccc2oc(-c3ccc(C)c(N=Cc4cc(Cl)ccc4O)c3)nc21 ZINC000252592253 571000912 /nfs/dbraw/zinc/00/09/12/571000912.db2.gz BEEMSSYFEAGWMX-UHFFFAOYSA-N 0 0 376.843 6.221 50 30 GKEARN C=CCn1cc(/C=C2/SC(=Nc3ccccc3)N(CC)C2=O)c2ccccc21 ZINC000252591099 571001126 /nfs/dbraw/zinc/00/11/26/571001126.db2.gz AXNQPNLGISYTIH-QQAFOXPBSA-N 0 0 387.508 5.451 50 30 GKEARN CC[C@@H](C)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002202843 571001149 /nfs/dbraw/zinc/00/11/49/571001149.db2.gz HOVPQAQUNRCPIN-DXPJPUQTSA-N 0 0 397.543 7.067 50 30 GKEARN COc1cc(C=NNc2ccccc2)ccc1OC(=O)c1ccc2ccccc2c1 ZINC000252590874 571001159 /nfs/dbraw/zinc/00/11/59/571001159.db2.gz AWJYNNJRMHXPON-UHFFFAOYSA-N 0 0 396.446 5.514 50 30 GKEARN CCCCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000002203825 571002775 /nfs/dbraw/zinc/00/27/75/571002775.db2.gz HKPDLWPDRUWFES-UHFFFAOYSA-N 0 0 393.962 7.532 50 30 GKEARN COc1ccc(Cl)cc1N=NC(Cl)N=Nc1cc(Cl)ccc1OC ZINC000252594806 571003235 /nfs/dbraw/zinc/00/32/35/571003235.db2.gz BUUAUVXEFLODCF-UHFFFAOYSA-N 0 0 387.654 5.716 50 30 GKEARN CSC1=NC(=Nc2cccc(Cl)c2)C2(CCCCC2)N1c1cccc(C)c1 ZINC000252599270 571004663 /nfs/dbraw/zinc/00/46/63/571004663.db2.gz DHVKNNJOWWIELT-UHFFFAOYSA-N 0 0 397.975 6.621 50 30 GKEARN O=C1C=C(/C=C\c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1nnc2ccccc21 ZINC000252599753 571004851 /nfs/dbraw/zinc/00/48/51/571004851.db2.gz DLFBUOHIYDYGBZ-YGUPGYMGSA-N 0 0 391.474 5.369 50 30 GKEARN CCCCc1ccnc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000252600201 571005068 /nfs/dbraw/zinc/00/50/68/571005068.db2.gz DOMKIIZTRBHOKX-UHFFFAOYSA-N 0 0 382.552 5.566 50 30 GKEARN Cc1ccc(/C=C2/SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000252601209 571005758 /nfs/dbraw/zinc/00/57/58/571005758.db2.gz DXVMHNVYAKISJL-XVDLVXLGSA-N 0 0 376.403 5.248 50 30 GKEARN c1[nH]c2ccccc2c1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000252602448 571006159 /nfs/dbraw/zinc/00/61/59/571006159.db2.gz FIJQOFAWVBRYMZ-UHFFFAOYSA-N 0 0 390.450 5.133 50 30 GKEARN COC(=O)c1ccc(C=Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000252603199 571006395 /nfs/dbraw/zinc/00/63/95/571006395.db2.gz FOQIREFSTRSYRY-UHFFFAOYSA-N 0 0 390.826 5.685 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000001435014 571006884 /nfs/dbraw/zinc/00/68/84/571006884.db2.gz UDMMGWXVRBPAJV-AFUMVMLFSA-N 0 0 384.435 5.649 50 30 GKEARN O=C(Oc1ccc2oc3c(c2c1C=Nc1ccccc1)CCCC3)c1ccccc1 ZINC000252606293 571006911 /nfs/dbraw/zinc/00/69/11/571006911.db2.gz GQPKQROCJNUNCO-UHFFFAOYSA-N 0 0 395.458 6.281 50 30 GKEARN O=C1/C(=C/c2cccc(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252607157 571007398 /nfs/dbraw/zinc/00/73/98/571007398.db2.gz GYONDRBBSNEUSG-CUVVSLBBSA-N 0 0 394.883 5.737 50 30 GKEARN Oc1ccc2ccccc2c1C=Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000252608857 571009012 /nfs/dbraw/zinc/00/90/12/571009012.db2.gz HOGBVHJKILMIRU-UHFFFAOYSA-N 0 0 388.536 6.220 50 30 GKEARN Oc1ccc2ccccc2c1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000252609774 571009608 /nfs/dbraw/zinc/00/96/08/571009608.db2.gz HVIQAUYHYLYTMC-UHFFFAOYSA-N 0 0 398.849 6.758 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cc(C(C)(C)C)ccc1O ZINC000252613441 571016644 /nfs/dbraw/zinc/01/66/44/571016644.db2.gz JBNJOJVVAFKESV-UHFFFAOYSA-N 0 0 398.466 5.127 50 30 GKEARN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(C)cc(-c2ccccc2)n1 ZINC000252615158 571017892 /nfs/dbraw/zinc/01/78/92/571017892.db2.gz JPUVWXWIDILDFV-UHFFFAOYSA-N 0 0 387.270 5.213 50 30 GKEARN CCOC(=O)c1c(C)c(C)sc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252616100 571018326 /nfs/dbraw/zinc/01/83/26/571018326.db2.gz JWYUATFRQICXSO-UHFFFAOYSA-N 0 0 397.496 5.623 50 30 GKEARN Cc1cccc(C=Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000252616635 571018437 /nfs/dbraw/zinc/01/84/37/571018437.db2.gz KCKNGSCKVIZNTF-UHFFFAOYSA-N 0 0 376.843 6.221 50 30 GKEARN COc1ccc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000252617017 571018963 /nfs/dbraw/zinc/01/89/63/571018963.db2.gz KKMYAGCDXPHZSS-UHFFFAOYSA-N 0 0 396.277 6.067 50 30 GKEARN O=[N+]([O-])c1ccc(/C=C\C=Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 ZINC000252617383 571019106 /nfs/dbraw/zinc/01/91/06/571019106.db2.gz KRQGRPXMPSRDFF-KAVOMJSMSA-N 0 0 387.370 5.958 50 30 GKEARN Cc1c(N=Cc2ccc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000252617703 571019570 /nfs/dbraw/zinc/01/95/70/571019570.db2.gz KYQAAPHJRDNBCJ-UHFFFAOYSA-N 0 0 391.858 5.148 50 30 GKEARN Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1/C=N/O ZINC000091690489 571026087 /nfs/dbraw/zinc/02/60/87/571026087.db2.gz TYVUPGMJHQEZKO-NLRVBDNBSA-N 0 0 381.479 5.148 50 30 GKEARN Brc1cccc(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000252620502 571026773 /nfs/dbraw/zinc/02/67/73/571026773.db2.gz MFBROOTXLALNSM-UHFFFAOYSA-N 0 0 378.229 5.403 50 30 GKEARN N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1 ZINC000012775934 571028956 /nfs/dbraw/zinc/02/89/56/571028956.db2.gz RBKYNFIZJNJREB-UHFFFAOYSA-N 0 0 388.279 5.165 50 30 GKEARN CCOC(=O)c1c(N=Cc2c(O)ccc3ccccc32)sc2c1CC[C@H](C)C2 ZINC000252621765 571033449 /nfs/dbraw/zinc/03/34/49/571033449.db2.gz NGHQBVPSTMZGGA-AWEZNQCLSA-N 0 0 393.508 5.659 50 30 GKEARN CCOC(=O)c1c(-c2ccc(-c3ccccc3F)cc2)c(C#N)c(CC)n1C ZINC000204438745 571033463 /nfs/dbraw/zinc/03/34/63/571033463.db2.gz ZIRJEACENIGTJT-UHFFFAOYSA-N 0 0 376.431 5.109 50 30 GKEARN O=C1/C(=C\c2ccccc2)SC(=Nc2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000252621696 571033501 /nfs/dbraw/zinc/03/35/01/571033501.db2.gz NEUTYJGEEKKTFP-ONWPUYBOSA-N 0 0 392.430 5.773 50 30 GKEARN CC(=NN1C(=S)N=NC1c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000252623385 571034934 /nfs/dbraw/zinc/03/49/34/571034934.db2.gz OQABGNSIQYPAEH-UHFFFAOYSA-N 0 0 377.300 5.121 50 30 GKEARN CCOc1ccc(C=Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000252623732 571035371 /nfs/dbraw/zinc/03/53/71/571035371.db2.gz OYAFILYMEHJYRI-UHFFFAOYSA-N 0 0 378.859 5.742 50 30 GKEARN Cc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)o1 ZINC000252624074 571037256 /nfs/dbraw/zinc/03/72/56/571037256.db2.gz PFORUUQOMJIIPA-FUSVKQJLSA-N 0 0 388.492 6.013 50 30 GKEARN CCCCN1C(=O)/C(=C/c2ccc(C)c(OC)c2)SC1=Nc1ccccc1 ZINC000252624147 571037692 /nfs/dbraw/zinc/03/76/92/571037692.db2.gz PHMDPGIWMKWIOQ-SPDSTVKKSA-N 0 0 380.513 5.408 50 30 GKEARN C=CCc1ccc(OCCCCOc2c(Cl)cccc2Cl)c(OC)c1 ZINC000004701984 571042323 /nfs/dbraw/zinc/04/23/23/571042323.db2.gz FZKSYOPNZQGQFI-UHFFFAOYSA-N 0 0 381.299 5.969 50 30 GKEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc21 ZINC000005388763 571043470 /nfs/dbraw/zinc/04/34/70/571043470.db2.gz KYSGFKSNDXKGER-UHFFFAOYSA-N 0 0 384.439 5.110 50 30 GKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C ZINC000006038172 571044530 /nfs/dbraw/zinc/04/45/30/571044530.db2.gz JSRGZAGHLYHWLL-UHFFFAOYSA-N 0 0 388.467 5.074 50 30 GKEARN N#CCCSc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004176930 230832952 /nfs/dbraw/zinc/83/29/52/230832952.db2.gz QBRHOXUIADBTKA-UHFFFAOYSA-N 0 0 383.454 5.068 50 30 GKEARN Clc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000004738884 230836611 /nfs/dbraw/zinc/83/66/11/230836611.db2.gz KXRAURVAYWXHLK-HZHRSRAPSA-N 0 0 398.915 5.671 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)cc1 ZINC000005217367 230839867 /nfs/dbraw/zinc/83/98/67/230839867.db2.gz FPTJPOYJABCQKM-NTCAYCPXSA-N 0 0 376.839 5.764 50 30 GKEARN Cc1cc(OCc2ccc(/C=C/C(=O)c3nn(C)cc3Cl)o2)ccc1Cl ZINC000006922135 230853870 /nfs/dbraw/zinc/85/38/70/230853870.db2.gz SLYRDJIRRSDYPJ-SOFGYWHQSA-N 0 0 391.254 5.103 50 30 GKEARN COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000033097101 230918590 /nfs/dbraw/zinc/91/85/90/230918590.db2.gz UDZAQHIEXNBBFA-RDHMHZQQSA-N 0 0 392.524 5.632 50 30 GKEARN COc1ccc2[nH]cc(CCNC(C)=C(Cc3ccc(Cl)cc3)C(C)=O)c2c1 ZINC000100324994 231006554 /nfs/dbraw/zinc/00/65/54/231006554.db2.gz ZXYHVXGNUBJTKI-QNGOZBTKSA-N 0 0 396.918 5.068 50 30 GKEARN COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1 ZINC000100353101 231006581 /nfs/dbraw/zinc/00/65/81/231006581.db2.gz ZUKJWRRRUZKGSL-PKEPYMRNSA-N 0 0 378.497 5.242 50 30 GKEARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1SCCC#N ZINC000095953444 230998773 /nfs/dbraw/zinc/99/87/73/230998773.db2.gz QORMIUNWNICAFA-ZDUSSCGKSA-N 0 0 376.934 5.465 50 30 GKEARN Cn1ccnc1COc1ccc(C(=O)/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000207055008 231029589 /nfs/dbraw/zinc/02/95/89/231029589.db2.gz DKKIAUNVCZCUBW-KTKRTIGZSA-N 0 0 387.266 5.202 50 30 GKEARN C[C@@H]1CC2=CCCC(C)(C)[C@H]2C[C@H]1CN=Nc1nnc2c3ccccc3[nH]c2n1 ZINC000245227093 231040217 /nfs/dbraw/zinc/04/02/17/231040217.db2.gz ZJMNWWOSWJJSTK-JGMUOOBSSA-N 0 0 388.519 5.313 50 30 biogenic GKEARN O=C(Nc1cccc(-c2noc(C(F)F)n2)c1)c1cc(F)c(F)cc1Cl ZINC000328592232 231046136 /nfs/dbraw/zinc/04/61/36/231046136.db2.gz UZSSGJSYPADUDH-UHFFFAOYSA-N 0 0 385.704 5.242 50 30 GKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000018276102 210220213 /nfs/dbraw/zinc/22/02/13/210220213.db2.gz DINDKYCVVXFCMR-QHCPKHFHSA-N 0 0 378.447 5.133 50 30 GKEARN CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CCC3)cc1 ZINC000018197128 210215824 /nfs/dbraw/zinc/21/58/24/210215824.db2.gz OWNGBWRTWNAIDB-HSZRJFAPSA-N 0 0 399.494 5.144 50 30 GKEARN CCNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc21)Cc1ccco1 ZINC000013878752 210095280 /nfs/dbraw/zinc/09/52/80/210095280.db2.gz RVGPAIIWLNQLEN-UHFFFAOYSA-N 0 0 375.925 5.073 50 30 GKEARN C[C@@H]1CN=C(N(C(=S)Nc2ccccc2)c2cccc(C(F)(F)F)c2)S1 ZINC000013686649 210079964 /nfs/dbraw/zinc/07/99/64/210079964.db2.gz KNXUHOBQBZDZKL-GFCCVEGCSA-N 0 0 395.475 5.621 50 30 GKEARN CC(CNC(=O)c1ccccc1SCC#N)(c1ccccc1)c1ccccc1 ZINC000012751443 210000606 /nfs/dbraw/zinc/00/06/06/210000606.db2.gz ZKMLUTWGHIGRDN-UHFFFAOYSA-N 0 0 386.520 5.038 50 30 GKEARN CC(C)(C)c1cc(O)cc(C(C)(C)C)c1C=NNc1cccc2cccnc21 ZINC000005632508 209606678 /nfs/dbraw/zinc/60/66/78/209606678.db2.gz SLTVYGFCBCSTJF-CVKSISIWSA-N 0 0 375.516 5.981 50 30 GKEARN Cc1ccc(C(C)N=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000004989659 209555211 /nfs/dbraw/zinc/55/52/11/209555211.db2.gz QLOUQCCPPPPULA-NLRVBDNBSA-N 0 0 379.467 5.350 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000004672170 209508812 /nfs/dbraw/zinc/50/88/12/209508812.db2.gz WCHUABIOEGJTRD-HFWLGXHLSA-N 0 0 392.926 6.164 50 30 GKEARN COc1ccccc1-n1cnc2cc(/N=C/c3cccc4ccccc34)ccc21 ZINC000004663580 209506916 /nfs/dbraw/zinc/50/69/16/209506916.db2.gz CZLKDHIKIJTXSR-WGOQTCKBSA-N 0 0 377.447 5.938 50 30 GKEARN CC[C@H](C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004629397 209503895 /nfs/dbraw/zinc/50/38/95/209503895.db2.gz BAGZFKRJSDUEGI-UPCLLVRISA-N 0 0 390.527 6.086 50 30 GKEARN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Cl ZINC000004545784 209495380 /nfs/dbraw/zinc/49/53/80/209495380.db2.gz GXIFCQILLXOKNT-HTMJNSLASA-N 0 0 386.904 5.409 50 30 GKEARN Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1 ZINC000004541236 209494451 /nfs/dbraw/zinc/49/44/51/209494451.db2.gz VMELIVROZKHWDW-UHFFFAOYSA-N 0 0 396.519 5.715 50 30 GKEARN O=C1c2ccccc2C/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000003252622 209418209 /nfs/dbraw/zinc/41/82/09/209418209.db2.gz OSQGOADBZNZYCE-FCDQGJHFSA-N 0 0 387.482 6.979 50 30 GKEARN N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2c(Cl)cccc2Cl)c1=O ZINC000003125707 209413676 /nfs/dbraw/zinc/41/36/76/209413676.db2.gz QAGSOARKUYDPGG-UHFFFAOYSA-N 0 0 389.669 5.395 50 30 GKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(OCCCC)cc3)n2)cc1 ZINC000002837532 209389282 /nfs/dbraw/zinc/38/92/82/209389282.db2.gz GLFUSRGCUQGEFV-UHFFFAOYSA-N 0 0 392.543 7.095 50 30 GKEARN CCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)cc1 ZINC000002807728 209388736 /nfs/dbraw/zinc/38/87/36/209388736.db2.gz YTDLXOZBHHWSFU-UHFFFAOYSA-N 0 0 377.425 5.010 50 30 GKEARN N#C[C@@H](c1cccc2ccccc21)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000002549042 209370192 /nfs/dbraw/zinc/37/01/92/209370192.db2.gz OVKHUJADPIAQQQ-FTJBHMTQSA-N 0 0 375.471 6.504 50 30 GKEARN COc1nc(-c2ccc(Br)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002585139 209369508 /nfs/dbraw/zinc/36/95/08/209369508.db2.gz HUEJLSYCABUXFU-UHFFFAOYSA-N 0 0 399.675 5.712 50 30 GKEARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000002686731 209376810 /nfs/dbraw/zinc/37/68/10/209376810.db2.gz VXOGLLSHRDPPLP-UHFFFAOYSA-N 0 0 389.629 5.307 50 30 GKEARN N#CC(C#N)(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000002655066 209375197 /nfs/dbraw/zinc/37/51/97/209375197.db2.gz LIJTYMJJSBQJDW-UHFFFAOYSA-N 0 0 384.093 6.119 50 30 GKEARN CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000002312144 209355735 /nfs/dbraw/zinc/35/57/35/209355735.db2.gz KAAZKAOQGSVEBH-UHFFFAOYSA-N 0 0 393.899 5.556 50 30 GKEARN CC(C)CCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1 ZINC000002271712 209353486 /nfs/dbraw/zinc/35/34/86/209353486.db2.gz PXLLGOITKWYOIR-OAHLLOKOSA-N 0 0 382.529 5.422 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/n3c4ccccc4c4ccccc43)ccc21 ZINC000002184344 209349132 /nfs/dbraw/zinc/34/91/32/209349132.db2.gz GARFLCLNQNHQEX-MTDXEUNCSA-N 0 0 387.486 6.805 50 30 GKEARN Oc1ccc(Br)cc1/C=N/N=C(c1ccccc1)c1ccccc1 ZINC000002087542 209346563 /nfs/dbraw/zinc/34/65/63/209346563.db2.gz MCRAMGCIBYYDPI-HYARGMPZSA-N 0 0 379.257 5.026 50 30 GKEARN CC(C)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002072274 209345167 /nfs/dbraw/zinc/34/51/67/209345167.db2.gz DZRRVNBGBJZDEK-RUZDIDTESA-N 0 0 383.516 6.677 50 30 GKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O ZINC000002062751 209345180 /nfs/dbraw/zinc/34/51/80/209345180.db2.gz RIJFGXXSMNPISE-UHFFFAOYSA-N 0 0 393.483 5.313 50 30 GKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000001882875 209341299 /nfs/dbraw/zinc/34/12/99/209341299.db2.gz JOEXEXXPYPDROV-MFKUBSTISA-N 0 0 393.402 6.307 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000001830615 209340229 /nfs/dbraw/zinc/34/02/29/209340229.db2.gz GKGINVAHHXYGRE-XSFVSMFZSA-N 0 0 389.838 5.264 50 30 GKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F ZINC000001790159 209339849 /nfs/dbraw/zinc/33/98/49/209339849.db2.gz WMHGSOYODMNMSD-UHFFFAOYSA-N 0 0 377.344 5.313 50 30 GKEARN O=C(Nc1cccc(C(F)(F)F)c1)O/N=C1\CCCc2c3ccccc3[nH]c21 ZINC000001402256 209326576 /nfs/dbraw/zinc/32/65/76/209326576.db2.gz FBNVNRLLTVMELI-YZSQISJMSA-N 0 0 387.361 5.476 50 30 GKEARN N#Cc1cc(Oc2ccc(Br)cc2)c(N2CCCCCC2)cc1C#N ZINC000001256163 209317924 /nfs/dbraw/zinc/31/79/24/209317924.db2.gz RTPCQYTVRURLND-UHFFFAOYSA-N 0 0 396.288 5.365 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001215403 209314639 /nfs/dbraw/zinc/31/46/39/209314639.db2.gz VDSJTYGXADMSLC-BCHFMIIMSA-N 0 0 398.481 6.114 50 30 GKEARN COc1ccc(C(=O)CSc2nc(C3CC3)cc(-c3ccco3)c2C#N)cc1 ZINC000001184625 209311803 /nfs/dbraw/zinc/31/18/03/209311803.db2.gz JORIPIZAVGKDNB-UHFFFAOYSA-N 0 0 390.464 5.074 50 30 GKEARN COc1cc2c(cc1/N=C/c1cc(Br)ccc1O)oc1ccccc12 ZINC000001099813 209299776 /nfs/dbraw/zinc/29/97/76/209299776.db2.gz BPWOIDNTXCBGOT-SSDVNMTOSA-N 0 0 396.240 5.813 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001080482 209298726 /nfs/dbraw/zinc/29/87/26/209298726.db2.gz IQRDANKRWOULMV-OAHLLOKOSA-N 0 0 391.414 5.295 50 30 GKEARN C[C@@H]1Nc2nc3ccccc3n2C(c2cccc(F)c2)=C1C(=O)c1ccccc1 ZINC000001080229 209298546 /nfs/dbraw/zinc/29/85/46/209298546.db2.gz SJMHENUYUCPNCC-HNNXBMFYSA-N 0 0 383.426 5.132 50 30 biogenic,in-vitro GKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1 ZINC000001079452 209297908 /nfs/dbraw/zinc/29/79/08/209297908.db2.gz CZTXBYRVSLGXNN-OAHLLOKOSA-N 0 0 386.278 5.521 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccccc1 ZINC000001079607 209297694 /nfs/dbraw/zinc/29/76/94/209297694.db2.gz SPPJZSIMYMEGBV-INIZCTEOSA-N 0 0 381.422 5.129 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001076891 209297322 /nfs/dbraw/zinc/29/73/22/209297322.db2.gz ZTFPMUGGAUJJRF-NIYFSFCBSA-N 0 0 398.481 6.114 50 30 GKEARN N#Cc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 ZINC000001076985 209297060 /nfs/dbraw/zinc/29/70/60/209297060.db2.gz PCDSVGGOZLHSAE-UHFFFAOYSA-N 0 0 398.491 5.010 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc([N+](=O)[O-])s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001067230 209295359 /nfs/dbraw/zinc/29/53/59/209295359.db2.gz YQUXWNJXUAXPHQ-HXUWFJFHSA-N 0 0 397.500 5.495 50 30 GKEARN Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C#N)o1 ZINC000001055965 209294503 /nfs/dbraw/zinc/29/45/03/209294503.db2.gz AXFWAUPAYNRBOG-UHFFFAOYSA-N 0 0 377.252 5.747 50 30 GKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000001054656 209293829 /nfs/dbraw/zinc/29/38/29/209293829.db2.gz YFQSKNMHRGODJV-ZMOGYAJESA-N 0 0 375.811 5.570 50 30 GKEARN N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1Cl ZINC000000985302 209286287 /nfs/dbraw/zinc/28/62/87/209286287.db2.gz WTWVQTNPZGFEGR-UHFFFAOYSA-N 0 0 383.838 5.679 50 30 GKEARN N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000978515 209285420 /nfs/dbraw/zinc/28/54/20/209285420.db2.gz WEAGSQATUNXRTI-UHFFFAOYSA-N 0 0 394.430 5.503 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000815793 209268471 /nfs/dbraw/zinc/26/84/71/209268471.db2.gz NPWLIISVSZVNHR-IQMFZBJNSA-N 0 0 390.483 5.867 50 30 GKEARN CC(C)NC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000000803840 209267073 /nfs/dbraw/zinc/26/70/73/209267073.db2.gz WVWDKSYTMLYADC-UHFFFAOYSA-N 0 0 399.566 5.027 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Br)cc1 ZINC000000756500 209263546 /nfs/dbraw/zinc/26/35/46/209263546.db2.gz APHHLZHXKVMCBR-FQEVSTJZSA-N 0 0 397.316 5.671 50 30 GKEARN CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000712468 209262271 /nfs/dbraw/zinc/26/22/71/209262271.db2.gz BKMRHUMIGHEKIN-AREMUKBSSA-N 0 0 397.518 6.548 50 30 GKEARN COc1ccc(Br)cc1/C=N/c1ccc2nc(SC)sc2c1 ZINC000000712213 209262099 /nfs/dbraw/zinc/26/20/99/209262099.db2.gz WECIHGKCWZOPJT-GIJQJNRQSA-N 0 0 393.331 5.540 50 30 GKEARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCC3)o1 ZINC000000714038 209262149 /nfs/dbraw/zinc/26/21/49/209262149.db2.gz HIISUUZYKHUQKD-FOKLQQMPSA-N 0 0 391.452 5.644 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccnc3Cl)sc2C1 ZINC000000657083 209255392 /nfs/dbraw/zinc/25/53/92/209255392.db2.gz HVXFZTJUVZASEW-GFCCVEGCSA-N 0 0 387.936 5.462 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(OC(=O)c2cccs2)c1 ZINC000004279068 209232028 /nfs/dbraw/zinc/23/20/28/209232028.db2.gz WMFMMFSORDSVNQ-FMIVXFBMSA-N 0 0 378.449 5.180 50 30 GKEARN C=C(C)COc1cc2c(cc1C)oc(=O)cc2-c1cc2cccc(OC)c2o1 ZINC000004586225 209231388 /nfs/dbraw/zinc/23/13/88/209231388.db2.gz GPOGUECFIPZIJM-UHFFFAOYSA-N 0 0 376.408 5.478 50 30 biogenic GKEARN O=C1c2ccc(OCc3c(F)cccc3Cl)cc2O/C1=C\c1ccncc1 ZINC000005178746 209231414 /nfs/dbraw/zinc/23/14/14/209231414.db2.gz GPOMPAPNJCQWKD-JMIUGGIZSA-N 0 0 381.790 5.069 50 30 GKEARN Fc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4Cl)ccc3o2)cc1 ZINC000001885623 212259031 /nfs/dbraw/zinc/25/90/31/212259031.db2.gz LDEUBDDTMSWEEM-BZCVXYEQSA-N 0 0 376.818 6.703 50 30 GKEARN COc1c(C)cccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000001841846 212258735 /nfs/dbraw/zinc/25/87/35/212258735.db2.gz QSOCOHIYSDFBBZ-CQSZACIVSA-N 0 0 382.529 5.340 50 30 GKEARN Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4)cc3O)nc2c1 ZINC000002051959 212262095 /nfs/dbraw/zinc/26/20/95/212262095.db2.gz XUTOGGQDLBCWPE-JRUCXRJDSA-N 0 0 388.854 6.578 50 30 GKEARN CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000002007500 212261202 /nfs/dbraw/zinc/26/12/02/212261202.db2.gz FJDPATXIBIBRIM-VSKRKVRLSA-N 0 0 375.468 5.825 50 30 in-man GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000001311595 212235061 /nfs/dbraw/zinc/23/50/61/212235061.db2.gz YPDJDGBRBJUYMS-HSZRJFAPSA-N 0 0 390.483 5.254 50 30 GKEARN O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000001219355 212230735 /nfs/dbraw/zinc/23/07/35/212230735.db2.gz QIZMSIZOKPIPBG-TVXVBNPNSA-N 0 0 399.421 5.008 50 30 GKEARN Cc1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)c(C#N)c1C ZINC000001200229 212228195 /nfs/dbraw/zinc/22/81/95/212228195.db2.gz ZBQMNRAUKGXYQV-UHFFFAOYSA-N 0 0 397.503 6.013 50 30 GKEARN Cc1cc(C)c(C#N)c(SC[C@H](O)CSc2ccc(C(C)(C)C)cc2)n1 ZINC000001139878 212222187 /nfs/dbraw/zinc/22/21/87/212222187.db2.gz YJASSEGPGVNGCQ-QGZVFWFLSA-N 0 0 386.586 5.113 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccccc1 ZINC000001079606 212215199 /nfs/dbraw/zinc/21/51/99/212215199.db2.gz SPPJZSIMYMEGBV-MRXNPFEDSA-N 0 0 381.422 5.129 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1 ZINC000001077601 212214744 /nfs/dbraw/zinc/21/47/44/212214744.db2.gz BATTWXKCODIJDU-CCLHPLFOSA-N 0 0 394.518 6.283 50 30 GKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 ZINC000001051403 212210561 /nfs/dbraw/zinc/21/05/61/212210561.db2.gz SFVIMKIZHCNDKH-ZVBGSRNCSA-N 0 0 395.629 6.566 50 30 GKEARN Cc1ccc(Cn2c3ccccc3nc2/N=C/c2nc3ccccc3n2C)cc1 ZINC000000999161 212203963 /nfs/dbraw/zinc/20/39/63/212203963.db2.gz AYVHRHVGRDTAKH-MFKUBSTISA-N 0 0 379.467 5.030 50 30 GKEARN Cc1ccccc1N1C(=O)CC[C@@]1(C#N)c1ccccc1OCc1ccccc1 ZINC000000987627 212202490 /nfs/dbraw/zinc/20/24/90/212202490.db2.gz KCFYGBILWSQYGS-RUZDIDTESA-N 0 0 382.463 5.120 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000000977279 212201265 /nfs/dbraw/zinc/20/12/65/212201265.db2.gz SWAFGWUQOPQZHD-UHFFFAOYSA-N 0 0 383.491 5.854 50 30 GKEARN Cc1c(C=C2C(=O)c3ccccc3C2=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000000980630 212201319 /nfs/dbraw/zinc/20/13/19/212201319.db2.gz BBNBKEUAYMGWDK-UHFFFAOYSA-N 0 0 389.454 5.915 50 30 GKEARN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1C(C)C ZINC000000947407 212198392 /nfs/dbraw/zinc/19/83/92/212198392.db2.gz LNCAZUTXJIMXBU-CQSZACIVSA-N 0 0 382.529 5.194 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000000802258 212182875 /nfs/dbraw/zinc/18/28/75/212182875.db2.gz HMAFAOOQLQFENL-FOKLQQMPSA-N 0 0 383.234 6.258 50 30 GKEARN COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1OC ZINC000000727631 212178491 /nfs/dbraw/zinc/17/84/91/212178491.db2.gz WKKCIVQQDFHVRG-XMMPIXPASA-N 0 0 385.463 5.530 50 30 GKEARN COc1ccc(C2C3=C(OC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 ZINC000000715500 212177063 /nfs/dbraw/zinc/17/70/63/212177063.db2.gz ADAPQPDHSWOSLY-UHFFFAOYSA-N 0 0 380.484 5.095 50 30 GKEARN Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000709530 212176854 /nfs/dbraw/zinc/17/68/54/212176854.db2.gz GJZHLJMWIVFNSU-SIBVEZHUSA-N 0 0 380.491 5.975 50 30 GKEARN CC(=O)Oc1ccc2ccccc2c1/C=N/c1ccc(C)cc1Br ZINC000000704472 212175079 /nfs/dbraw/zinc/17/50/79/212175079.db2.gz STZYJJHDJAYHOS-WSDLNYQXSA-N 0 0 382.257 5.587 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2F)C3)cc1 ZINC000000672637 212172595 /nfs/dbraw/zinc/17/25/95/212172595.db2.gz NELUQOAPNAPINQ-HFJWLAOPSA-N 0 0 398.481 6.114 50 30 GKEARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000648020 212169643 /nfs/dbraw/zinc/16/96/43/212169643.db2.gz QDPDMGZCWMXMCS-ORAYPTAESA-N 0 0 382.529 5.158 50 30 GKEARN O=C1c2ccc(OCc3ccc(Br)cc3)cc2O/C1=C\c1ccco1 ZINC000002421501 212146985 /nfs/dbraw/zinc/14/69/85/212146985.db2.gz KBLCNZFYPSLNOK-ODLFYWEKSA-N 0 0 397.224 5.237 50 30 GKEARN C=CCN1C=C2SN(c3ccc(F)cc3)C=C2N1c1ccc(OCC)cc1 ZINC000085427945 212150094 /nfs/dbraw/zinc/15/00/94/212150094.db2.gz QVUZMXBPYVHTRJ-UHFFFAOYSA-N 0 0 381.476 5.299 50 30 GKEARN Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)C1=O ZINC000008990847 212147542 /nfs/dbraw/zinc/14/75/42/212147542.db2.gz XYOKXWHJEAVYKT-JMIUGGIZSA-N 0 0 399.556 5.492 50 30 GKEARN COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1ccco1 ZINC000004279024 212145558 /nfs/dbraw/zinc/14/55/58/212145558.db2.gz CUEKZINNYLJYAQ-CSKARUKUSA-N 0 0 382.799 5.057 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000001293543 212144897 /nfs/dbraw/zinc/14/48/97/212144897.db2.gz LGOYQBBPCORYTC-BVZFJXPGSA-N 0 0 397.478 5.070 50 30 biogenic GKEARN C=CCn1c(SCc2ccc(Cl)cc2)nc2sc(CC)cc2c1=O ZINC000001154372 212101873 /nfs/dbraw/zinc/10/18/73/212101873.db2.gz BJKXUTIHJDTBAB-UHFFFAOYSA-N 0 0 376.934 5.152 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1C ZINC000002359723 212101935 /nfs/dbraw/zinc/10/19/35/212101935.db2.gz FYTKHOCIBHWVGW-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN C=C(C)COc1nc(-c2ccccc2)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000001397525 212101758 /nfs/dbraw/zinc/10/17/58/212101758.db2.gz VMWPZPHQXLYHKT-UHFFFAOYSA-N 0 0 393.508 5.153 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccn1 ZINC000002335312 212101526 /nfs/dbraw/zinc/10/15/26/212101526.db2.gz GLYLSMFREFUGCD-UHFFFAOYSA-N 0 0 377.300 5.125 50 30 GKEARN C=CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001770009 212101268 /nfs/dbraw/zinc/10/12/68/212101268.db2.gz RTNXAONUQVUNHI-UHFFFAOYSA-N 0 0 376.330 5.477 50 30 biogenic GKEARN C=CCn1c(=O)c2c(-c3ccc(Oc4ccccc4)cc3)csc2[n-]c1=S ZINC000000707074 212099369 /nfs/dbraw/zinc/09/93/69/212099369.db2.gz TXTGCTKPQONCMX-UHFFFAOYSA-N 0 0 392.505 5.766 50 30 GKEARN C=C(C)Cn1c(SCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002372328 212101129 /nfs/dbraw/zinc/10/11/29/212101129.db2.gz ZRPRMBSRVAABAF-UHFFFAOYSA-N 0 0 394.584 5.747 50 30 biogenic GKEARN O=C1N/C(=N\c2ccc(O)cc2)S/C1=C/c1c2ccccc2cc2ccccc21 ZINC000008436596 212096309 /nfs/dbraw/zinc/09/63/09/212096309.db2.gz HHOGSADXOPJNBT-HYARGMPZSA-N 0 0 396.471 5.590 50 30 GKEARN C=CCn1c(SCCSC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000006847608 212082522 /nfs/dbraw/zinc/08/25/22/212082522.db2.gz OUHFOAQJALBSSV-UHFFFAOYSA-N 0 0 388.583 5.075 50 30 GKEARN C=CCSC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(OCC)cc1 ZINC000004883227 212080180 /nfs/dbraw/zinc/08/01/80/212080180.db2.gz FWYAQIVUTDLXDM-HKWRFOASSA-N 0 0 378.497 5.057 50 30 GKEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000004033342 212078550 /nfs/dbraw/zinc/07/85/50/212078550.db2.gz KCGKZUIRFDINTB-OAHLLOKOSA-N 0 0 399.416 5.152 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@@H]3CC[C@]21C ZINC000257357503 212029700 /nfs/dbraw/zinc/02/97/00/212029700.db2.gz OJFSRAVBTAGBIM-XLAJIGTFSA-N 0 0 386.664 7.629 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]1CC[C@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000013783346 203777556 /nfs/dbraw/zinc/77/75/56/203777556.db2.gz MECHNRXZTMCUDQ-PGZMODHISA-N 0 0 396.659 7.641 50 30 GKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000001075391 203778043 /nfs/dbraw/zinc/77/80/43/203778043.db2.gz UHMOPCRHAKMVIT-AWEZNQCLSA-N 0 0 382.554 5.061 50 30 GKEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002182365 203778967 /nfs/dbraw/zinc/77/89/67/203778967.db2.gz FIZZJFKZCIZORT-MRXNPFEDSA-N 0 0 396.556 5.067 50 30 GKEARN C=CCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000002445865 203779445 /nfs/dbraw/zinc/77/94/45/203779445.db2.gz GVIWWSSUJXZLQQ-UHFFFAOYSA-N 0 0 399.881 6.004 50 30 GKEARN CSc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000714746 203850410 /nfs/dbraw/zinc/85/04/10/203850410.db2.gz SBSQNFOBYBRDJI-UHFFFAOYSA-N 0 0 396.552 5.809 50 30 GKEARN O=C(C=CNc1scc2c1c(=O)oc1ccccc21)c1ccc(Cl)cc1 ZINC000000983944 203870437 /nfs/dbraw/zinc/87/04/37/203870437.db2.gz JGUIMPPMKNTHKZ-MDZDMXLPSA-N 0 0 381.840 5.470 50 30 GKEARN CC(C)(C)C(=O)C1=C(C(C)(C)C)O[C@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000002077931 203926352 /nfs/dbraw/zinc/92/63/52/203926352.db2.gz IYZWRSIMOOJHBU-HSZRJFAPSA-N 0 0 391.511 5.664 50 30 GKEARN CCCCCCCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OC ZINC000002088200 203926442 /nfs/dbraw/zinc/92/64/42/203926442.db2.gz IMNMKCDMOITKIP-UHFFFAOYSA-N 0 0 377.481 5.640 50 30 GKEARN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(CC)C2=O)cc1 ZINC000002176935 203930033 /nfs/dbraw/zinc/93/00/33/203930033.db2.gz MYRQTTJIJBMTOZ-NVZLDUMVSA-N 0 0 394.540 5.716 50 30 GKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000003208360 203989202 /nfs/dbraw/zinc/98/92/02/203989202.db2.gz GQNHEMVFDPMWHS-UHFFFAOYSA-N 0 0 379.544 5.729 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004359736 204040217 /nfs/dbraw/zinc/04/02/17/204040217.db2.gz YRSDSEQTOXUCJB-WYMPLXKRSA-N 0 0 382.813 5.805 50 30 GKEARN Brc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000004379953 204041722 /nfs/dbraw/zinc/04/17/22/204041722.db2.gz VWAGWNJPAJZIDX-RGVLZGJSSA-N 0 0 398.285 5.765 50 30 GKEARN C/C(=N\OC(=O)c1ccc(C(F)(F)F)cc1)c1sc2ccccc2c1C ZINC000004365669 204041756 /nfs/dbraw/zinc/04/17/56/204041756.db2.gz YIQKKOXEJWYANR-FSJBWODESA-N 0 0 377.387 5.810 50 30 GKEARN N#Cc1ccsc1NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000003486741 204009809 /nfs/dbraw/zinc/00/98/09/204009809.db2.gz PGJMCCYHTXXXFD-UHFFFAOYSA-N 0 0 394.308 5.231 50 30 GKEARN O=C(c1ccccc1)C1=C2Sc3ccccc3N2C[C@@H](C(=O)c2ccccc2)C1 ZINC000003648534 204016583 /nfs/dbraw/zinc/01/65/83/204016583.db2.gz QGFTUSWBZIAHQN-IBGZPJMESA-N 0 0 397.499 5.596 50 30 GKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004031700 204024469 /nfs/dbraw/zinc/02/44/69/204024469.db2.gz XBUFQOCMKRQGGU-DJKKODMXSA-N 0 0 392.709 5.672 50 30 GKEARN Cc1ccc(-c2nc3c4ccccc4ccn3c2C(=O)/C=C/c2cccs2)cc1 ZINC000004114816 204027113 /nfs/dbraw/zinc/02/71/13/204027113.db2.gz BEGPUASCUUDONL-OUKQBFOZSA-N 0 0 394.499 6.421 50 30 GKEARN O=C1c2ccccc2[C@@H]2S/C(=C\c3ccccc3)C(=O)c3ccsc3CN12 ZINC000004108857 204027157 /nfs/dbraw/zinc/02/71/57/204027157.db2.gz YOALXIDWTXMNLX-VWOYCULZSA-N 0 0 389.501 5.373 50 30 GKEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(Cl)cc1Cl)CCCCC2 ZINC000004116222 204027919 /nfs/dbraw/zinc/02/79/19/204027919.db2.gz KNYJCTLHKGBHOV-UHFFFAOYSA-N 0 0 391.323 5.504 50 30 GKEARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C#N)c2)cc1 ZINC000004145375 204028749 /nfs/dbraw/zinc/02/87/49/204028749.db2.gz BAQWNBPBEAFHPK-UHFFFAOYSA-N 0 0 396.519 5.331 50 30 GKEARN Cc1ccc(-c2csc(C(C#N)=NNc3cc(Cl)ccc3Cl)n2)cc1 ZINC000004175481 204030070 /nfs/dbraw/zinc/03/00/70/204030070.db2.gz KJCCTYNVVLBGES-LFVJCYFKSA-N 0 0 387.295 5.765 50 30 GKEARN N#CC(=NNc1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004175425 204030430 /nfs/dbraw/zinc/03/04/30/204030430.db2.gz SVVDXVKIYZXQPT-BUVRLJJBSA-N 0 0 391.258 5.596 50 30 GKEARN N#CC(=NNc1ccccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004175399 204030641 /nfs/dbraw/zinc/03/06/41/204030641.db2.gz BKULZXWHSWULFH-BUVRLJJBSA-N 0 0 391.258 5.596 50 30 GKEARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc2c1C ZINC000004273281 204035168 /nfs/dbraw/zinc/03/51/68/204035168.db2.gz ZVMVAJWOEAJTPD-UHFFFAOYSA-N 0 0 398.491 5.027 50 30 GKEARN N#C[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004723603 204068358 /nfs/dbraw/zinc/06/83/58/204068358.db2.gz TYZHIEMLQKJQDI-GOTSBHOMSA-N 0 0 382.423 5.011 50 30 GKEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000004736637 204070887 /nfs/dbraw/zinc/07/08/87/204070887.db2.gz AGVGFWUCZCIWPJ-DEOSSOPVSA-N 0 0 383.495 5.443 50 30 GKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccccc1Cl ZINC000004734446 204070902 /nfs/dbraw/zinc/07/09/02/204070902.db2.gz IRGQCUIMMRLXSB-UHFFFAOYSA-N 0 0 394.971 6.367 50 30 GKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(CC)cc1 ZINC000004740362 204072654 /nfs/dbraw/zinc/07/26/54/204072654.db2.gz QZKDXWGQRZSNSP-YUBSNBEWSA-N 0 0 376.500 5.401 50 30 GKEARN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004747081 204073440 /nfs/dbraw/zinc/07/34/40/204073440.db2.gz JKPNFIOHOVIGIE-RXFWQSSRSA-N 0 0 397.543 6.655 50 30 GKEARN CCSC1=N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)S1 ZINC000004755222 204074173 /nfs/dbraw/zinc/07/41/73/204074173.db2.gz QLYXJVKKIMYAFM-LCYFTJDESA-N 0 0 394.315 5.433 50 30 GKEARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794664 204076690 /nfs/dbraw/zinc/07/66/90/204076690.db2.gz LOOBXMJSRWCHEY-FQEVSTJZSA-N 0 0 381.447 5.044 50 30 GKEARN Cc1ccsc1/C=C1\CC(c2ccccc2)C/C(=C\c2sccc2C)C1=O ZINC000004826553 204079082 /nfs/dbraw/zinc/07/90/82/204079082.db2.gz PYDMONRVAWKWEV-OZNQKUEASA-N 0 0 390.573 7.040 50 30 GKEARN N#Cc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000004926754 204092295 /nfs/dbraw/zinc/09/22/95/204092295.db2.gz IORICTPBOYGVCR-UHFFFAOYSA-N 0 0 395.512 6.367 50 30 GKEARN Cc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000004879987 204085394 /nfs/dbraw/zinc/08/53/94/204085394.db2.gz QLOZTAADQRDWQH-OQKWZONESA-N 0 0 395.502 6.857 50 30 GKEARN CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000004889073 204086808 /nfs/dbraw/zinc/08/68/08/204086808.db2.gz WZFBIWBNUYIZAU-JIIKEMMSSA-N 0 0 393.537 5.145 50 30 GKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000004577704 204055045 /nfs/dbraw/zinc/05/50/45/204055045.db2.gz TULCYVAJAPKCCK-LDADJPATSA-N 0 0 380.856 5.492 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC(N=Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000004566498 204055213 /nfs/dbraw/zinc/05/52/13/204055213.db2.gz PALRFYDWEPFMJH-YMGPPEANSA-N 0 0 390.359 5.061 50 30 GKEARN CCc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc54)c3)nc2c1 ZINC000004603606 204056694 /nfs/dbraw/zinc/05/66/94/204056694.db2.gz OISFBAYYMBBVCE-JVWAILMASA-N 0 0 392.458 6.667 50 30 GKEARN CC[C@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004614305 204057754 /nfs/dbraw/zinc/05/77/54/204057754.db2.gz RDXMIVZZCZAIAY-FYSMJZIKSA-N 0 0 390.527 6.086 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000004611956 204058436 /nfs/dbraw/zinc/05/84/36/204058436.db2.gz AJHWFZCYBJCFIS-IEEVTGIFSA-N 0 0 396.600 5.926 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000004628568 204059111 /nfs/dbraw/zinc/05/91/11/204059111.db2.gz LJMNUDDGSQWHON-WQMJKPAKSA-N 0 0 392.568 6.084 50 30 GKEARN Cc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000004631225 204059178 /nfs/dbraw/zinc/05/91/78/204059178.db2.gz IMCPBTMVWRMBHR-MOSHPQCFSA-N 0 0 391.471 5.125 50 30 GKEARN N#Cc1c(NC(=O)/C=C\c2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000004628566 204059629 /nfs/dbraw/zinc/05/96/29/204059629.db2.gz MCQXUFDEDLQDDO-CLFYSBASSA-N 0 0 391.323 5.847 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000004671899 204062200 /nfs/dbraw/zinc/06/22/00/204062200.db2.gz COHXYAIAOKDVTK-KEBDBYFISA-N 0 0 376.199 5.608 50 30 GKEARN COc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(C#N)c3)oc2c1 ZINC000005125671 204112364 /nfs/dbraw/zinc/11/23/64/204112364.db2.gz DSZNVWNQKGPPDI-LCUIJRPUSA-N 0 0 392.418 5.089 50 30 GKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCCCC2)cc1 ZINC000005249163 204122212 /nfs/dbraw/zinc/12/22/12/204122212.db2.gz WMUGZCSVEPKCCJ-UHFFFAOYSA-N 0 0 394.522 5.557 50 30 GKEARN C/C(=N\N=C(/C)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004947592 204095811 /nfs/dbraw/zinc/09/58/11/204095811.db2.gz LCLPMJFCNUVGJT-VFIVCBTMSA-N 0 0 388.514 7.254 50 30 GKEARN Clc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000004953848 204095986 /nfs/dbraw/zinc/09/59/86/204095986.db2.gz IUUBQJRLEOAUHC-DJKKODMXSA-N 0 0 392.709 5.672 50 30 GKEARN CC[S@](=O)CCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000004978382 204098209 /nfs/dbraw/zinc/09/82/09/204098209.db2.gz RXFSFFRGPXDAEV-AREMUKBSSA-N 0 0 398.578 5.209 50 30 GKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000004973596 204098561 /nfs/dbraw/zinc/09/85/61/204098561.db2.gz ZTSCBIDDEVDIAB-QKFKETGDSA-N 0 0 390.870 5.913 50 30 GKEARN CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004973580 204098673 /nfs/dbraw/zinc/09/86/73/204098673.db2.gz YZUCEXWLNOYQOY-HSZRJFAPSA-N 0 0 376.500 5.696 50 30 GKEARN O=C1C[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004986686 204100271 /nfs/dbraw/zinc/10/02/71/204100271.db2.gz FXKNPLAQRZKULA-CMPLNLGQSA-N 0 0 392.307 5.059 50 30 GKEARN CCCCn1c(NC(=O)C(C)C)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000005713724 204148465 /nfs/dbraw/zinc/14/84/65/204148465.db2.gz YUTVMPRGEIPWPK-UHFFFAOYSA-N 0 0 385.511 6.088 50 30 GKEARN O=C(O/N=C1\CCCc2oc3c(c21)CCCC3)c1ccc(Cl)c(Cl)c1 ZINC000005756722 204150365 /nfs/dbraw/zinc/15/03/65/204150365.db2.gz FQGVRTZUAVLVJK-PXLXIMEGSA-N 0 0 378.255 5.363 50 30 GKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000005799372 204151857 /nfs/dbraw/zinc/15/18/57/204151857.db2.gz LHTFXOBLFBUHPY-AATRIKPKSA-N 0 0 393.714 6.186 50 30 GKEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCCC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005832393 204153027 /nfs/dbraw/zinc/15/30/27/204153027.db2.gz ABJQVFZJAGONOA-JYFOCSDGSA-N 0 0 378.384 5.113 50 30 GKEARN CCc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000006024733 204160851 /nfs/dbraw/zinc/16/08/51/204160851.db2.gz CUBYMLRYCOHBDN-NRFANRHFSA-N 0 0 383.491 5.187 50 30 GKEARN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccs1 ZINC000005376771 204129740 /nfs/dbraw/zinc/12/97/40/204129740.db2.gz MAUVZOCFRPVFQW-KPKJPENVSA-N 0 0 388.823 5.312 50 30 GKEARN COc1ccc2c(CN=Nc3ncnc4scc(-c5ccccc5)c43)c[nH]c2c1 ZINC000005529135 204136992 /nfs/dbraw/zinc/13/69/92/204136992.db2.gz DUGMLHVHTHTGNQ-KBKYJPHKSA-N 0 0 399.479 5.294 50 30 GKEARN COc1ccc2[nH]cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c2c1 ZINC000005532118 204138523 /nfs/dbraw/zinc/13/85/23/204138523.db2.gz CLBCBEOSSAGBCH-KBKYJPHKSA-N 0 0 399.479 5.294 50 30 GKEARN C=CCCCOc1ccc(/C=C/C(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000005614835 204142574 /nfs/dbraw/zinc/14/25/74/204142574.db2.gz GKXIEGWRRAGZIQ-WOJGMQOQSA-N 0 0 378.512 6.497 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@H]1CCCC[C@H]1O ZINC000005660636 204143901 /nfs/dbraw/zinc/14/39/01/204143901.db2.gz YYBVSBOQJAUGGP-PKTZIBPZSA-N 0 0 386.520 5.683 50 30 GKEARN O=[N+]([O-])c1ccc(C(=CCc2ccc(Cl)cc2)N=Nc2ccccc2)cc1 ZINC000005683719 204146427 /nfs/dbraw/zinc/14/64/27/204146427.db2.gz GCVJWPHEBRIOLJ-OPOGAHHXSA-N 0 0 377.831 5.778 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccco1 ZINC000006782450 204204633 /nfs/dbraw/zinc/20/46/33/204204633.db2.gz JWYFYGIIKUYQNK-VWLOTQADSA-N 0 0 398.506 6.096 50 30 GKEARN Cc1ccc(/C=N/c2sccc2C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000006788868 204206127 /nfs/dbraw/zinc/20/61/27/204206127.db2.gz DJNIARLPFKPGGI-LSHDLFTRSA-N 0 0 378.375 5.671 50 30 GKEARN N#Cc1ccccc1COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000006222392 204170972 /nfs/dbraw/zinc/17/09/72/204170972.db2.gz DKQPDBWDRIWDAL-ZVHZXABRSA-N 0 0 384.464 5.193 50 30 GKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000006720436 204194349 /nfs/dbraw/zinc/19/43/49/204194349.db2.gz AEPQEIIAICUTOJ-HSZRJFAPSA-N 0 0 394.902 5.647 50 30 GKEARN CC(C)Oc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCC2)cc1 ZINC000006768426 204201914 /nfs/dbraw/zinc/20/19/14/204201914.db2.gz ORCVAEMSNIPIRK-UHFFFAOYSA-N 0 0 377.492 5.123 50 30 GKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccco1 ZINC000008844517 204290998 /nfs/dbraw/zinc/29/09/98/204290998.db2.gz NRYBATMWDDGGEB-UHFFFAOYSA-N 0 0 395.802 5.244 50 30 GKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N(C)Cc3ccccc3)o2)o1 ZINC000008844558 204291556 /nfs/dbraw/zinc/29/15/56/204291556.db2.gz ZNNWXZLRHXDFLA-UHFFFAOYSA-N 0 0 399.450 5.330 50 30 GKEARN Cc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c1 ZINC000008991258 204295629 /nfs/dbraw/zinc/29/56/29/204295629.db2.gz GQVKCXQMGXXIBL-FMCGGJTJSA-N 0 0 393.527 5.431 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1cccc(Cl)c1Cl ZINC000008325038 204272473 /nfs/dbraw/zinc/27/24/73/204272473.db2.gz PDGHIISZXMSUPZ-DAKPFUFHSA-N 0 0 381.258 6.393 50 30 GKEARN CCCc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000008462491 204276188 /nfs/dbraw/zinc/27/61/88/204276188.db2.gz UXVJAUHVSGAZQX-QFIPXVFZSA-N 0 0 397.518 5.577 50 30 GKEARN CCCCCCCCCCOc1ccc(/C(=N\O)c2ccc(OC)cc2)cc1 ZINC000008432940 204277048 /nfs/dbraw/zinc/27/70/48/204277048.db2.gz BRTIBFCZMJNHOZ-IZHYLOQSSA-N 0 0 383.532 6.441 50 30 GKEARN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@@H]2c1ccccc1 ZINC000008559463 204278830 /nfs/dbraw/zinc/27/88/30/204278830.db2.gz FSNNZKQRSGBKAO-QFIPXVFZSA-N 0 0 389.886 5.534 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 ZINC000009344620 204308299 /nfs/dbraw/zinc/30/82/99/204308299.db2.gz CCRNOQJAZLBXKJ-UHFFFAOYSA-N 0 0 377.218 5.880 50 30 GKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(C#N)cc2)n1 ZINC000009343679 204308896 /nfs/dbraw/zinc/30/88/96/204308896.db2.gz MYGOCLXCSPEQAC-UHFFFAOYSA-N 0 0 375.419 5.434 50 30 GKEARN C=CCn1c(SCc2cccc(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000002393600 209167777 /nfs/dbraw/zinc/16/77/77/209167777.db2.gz GMFWNZJFQOJAIO-UHFFFAOYSA-N 0 0 376.934 5.207 50 30 GKEARN COc1cc(OC)c(/N=C/c2c3ccccc3cc3ccccc32)cc1Cl ZINC000002171186 209169479 /nfs/dbraw/zinc/16/94/79/209169479.db2.gz FDDQAHCKYKRVGU-AFUMVMLFSA-N 0 0 375.855 6.414 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000002302103 209168505 /nfs/dbraw/zinc/16/85/05/209168505.db2.gz UYQLDZZEWSIYJA-CQSZACIVSA-N 0 0 382.554 5.474 50 30 GKEARN C=CCn1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002144115 209168328 /nfs/dbraw/zinc/16/83/28/209168328.db2.gz GMXFCLIHNUABLO-UDWIEESQSA-N 0 0 392.455 5.203 50 30 GKEARN C=CCN(C(=O)[C@H]1Cc2ccccc2S1)c1nc(-c2ccccc2)cs1 ZINC000014055281 209166013 /nfs/dbraw/zinc/16/60/13/209166013.db2.gz PDPSIEGIRUGHMK-LJQANCHMSA-N 0 0 378.522 5.046 50 30 GKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000018222377 204619689 /nfs/dbraw/zinc/61/96/89/204619689.db2.gz NFFVMRYVYGTVBG-NTKDMRAZSA-N 0 0 398.510 5.126 50 30 GKEARN N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccccc1Cl ZINC000019940171 204694942 /nfs/dbraw/zinc/69/49/42/204694942.db2.gz GQQUNYXJPMJNBA-UHFFFAOYSA-N 0 0 376.872 5.020 50 30 GKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3Cl)o1)CCCC2 ZINC000020601957 204730220 /nfs/dbraw/zinc/73/02/20/204730220.db2.gz KGNREBJTKPTDKL-UHFFFAOYSA-N 0 0 397.837 5.046 50 30 GKEARN Cc1cc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc12 ZINC000023410115 204807831 /nfs/dbraw/zinc/80/78/31/204807831.db2.gz LJJQLUSGQLGWDM-CYBMUJFWSA-N 0 0 393.537 5.084 50 30 GKEARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2ccccc2C#N)n1 ZINC000037509976 205027025 /nfs/dbraw/zinc/02/70/25/205027025.db2.gz BFJITPQLDXDONI-UHFFFAOYSA-N 0 0 389.524 6.119 50 30 GKEARN C=C(C)CSc1nc2c(c(=O)n1CC(=C)C)C1(CCCC1)Cc1ccccc1-2 ZINC000004784884 209139621 /nfs/dbraw/zinc/13/96/21/209139621.db2.gz ZWDJKHKDPAPZOP-UHFFFAOYSA-N 0 0 392.568 5.523 50 30 biogenic GKEARN C=CCn1c(SCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000006727894 209143621 /nfs/dbraw/zinc/14/36/21/209143621.db2.gz YYQOQBFPQHZAKW-UHFFFAOYSA-N 0 0 380.557 5.356 50 30 biogenic GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)cc1C ZINC000039404147 205042926 /nfs/dbraw/zinc/04/29/26/205042926.db2.gz LVMLQZOGFPPKQC-UHFFFAOYSA-N 0 0 399.450 5.614 50 30 GKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)c1 ZINC000039404133 205043112 /nfs/dbraw/zinc/04/31/12/205043112.db2.gz VKJBCPBXQOLCIY-KRWDZBQOSA-N 0 0 399.450 5.867 50 30 GKEARN C#CC(=O)OCCCCCCCCCCCCCCCCCCOC(=O)C#C ZINC000004099553 209138758 /nfs/dbraw/zinc/13/87/58/209138758.db2.gz DYAPXSLJVHXBCL-UHFFFAOYSA-N 0 0 390.564 5.581 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 ZINC000004477230 209137934 /nfs/dbraw/zinc/13/79/34/209137934.db2.gz CZLXTNLRRWOGRY-DAMWEWLOSA-N 0 0 388.496 5.051 50 30 GKEARN CN(C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000058006132 205162271 /nfs/dbraw/zinc/16/22/71/205162271.db2.gz NUAKYURISOEPJR-UHFFFAOYSA-N 0 0 397.453 5.441 50 30 GKEARN CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZINC000058540862 205176103 /nfs/dbraw/zinc/17/61/03/205176103.db2.gz TUBRCQBRKJXJEA-UHFFFAOYSA-O 0 0 392.670 5.822 50 30 GKEARN Cc1noc(C)c1CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000061167967 205181378 /nfs/dbraw/zinc/18/13/78/205181378.db2.gz GUCPQWNEPJQUNS-UHFFFAOYSA-N 0 0 395.431 5.598 50 30 GKEARN Cn1c2ccc(C#Cc3ccccc3)cc2c2cc(C#Cc3ccccc3)ccc21 ZINC000002870807 209116315 /nfs/dbraw/zinc/11/63/15/209116315.db2.gz BYBWUCDLPXGZIF-UHFFFAOYSA-N 0 0 381.478 6.131 50 30 GKEARN Cc1cc(C)c(C#N)c(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)n1 ZINC000067655118 205252867 /nfs/dbraw/zinc/25/28/67/205252867.db2.gz OLBDAYVXMXKSSA-UHFFFAOYSA-N 0 0 398.388 5.388 50 30 GKEARN C(=N/c1ccc(Oc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 ZINC000100010851 205604147 /nfs/dbraw/zinc/60/41/47/205604147.db2.gz MUKLVHTVHNFBOW-MKYUKRCKSA-N 0 0 376.459 6.980 50 30 GKEARN C[C@H]1CCc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)c(C#N)c2C1 ZINC000004070083 205732449 /nfs/dbraw/zinc/73/24/49/205732449.db2.gz KSGPIIIFUOBXII-HNNXBMFYSA-N 0 0 388.492 5.789 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCSCc3ccccc3)sc2C1 ZINC000010616700 205861778 /nfs/dbraw/zinc/86/17/78/205861778.db2.gz YHTWDXSSXIRTBP-OAHLLOKOSA-N 0 0 384.570 5.397 50 30 GKEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O ZINC000004694804 206227374 /nfs/dbraw/zinc/22/73/74/206227374.db2.gz NSMQASMGEQXYNC-PXLXIMEGSA-N 0 0 399.471 5.088 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000004879682 206228195 /nfs/dbraw/zinc/22/81/95/206228195.db2.gz VKZRSHLBGQBFCS-NZQKXSOJSA-N 0 0 388.492 5.555 50 30 GKEARN C=CCN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc2ccccc21 ZINC000005605935 206228518 /nfs/dbraw/zinc/22/85/18/206228518.db2.gz HFHMUKJERVZIOO-UHFFFAOYSA-N 0 0 387.464 6.196 50 30 GKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(C)c1 ZINC000005500534 206228926 /nfs/dbraw/zinc/22/89/26/206228926.db2.gz AOPQLDNHFONNPQ-UHFFFAOYSA-N 0 0 377.557 6.029 50 30 GKEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005501549 206229021 /nfs/dbraw/zinc/22/90/21/206229021.db2.gz STEWNIVCCALLCT-UHFFFAOYSA-N 0 0 393.556 5.730 50 30 GKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000033377262 206256344 /nfs/dbraw/zinc/25/63/44/206256344.db2.gz ZIXCDMBOZAUTCY-DJKKODMXSA-N 0 0 376.254 5.158 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O ZINC000001149168 206247977 /nfs/dbraw/zinc/24/79/77/206247977.db2.gz POZFBNWQULUYBT-UHFFFAOYSA-N 0 0 376.934 5.207 50 30 GKEARN C=CCn1c2ccccc2c2nnc(SCc3c(F)cccc3Cl)nc21 ZINC000001424511 206248099 /nfs/dbraw/zinc/24/80/99/206248099.db2.gz AKYVLMAWFYASPK-UHFFFAOYSA-N 0 0 384.867 5.250 50 30 GKEARN C=CCn1c(SCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001823371 206248122 /nfs/dbraw/zinc/24/81/22/206248122.db2.gz QPMLYPXHSWZKFJ-UHFFFAOYSA-N 0 0 394.584 5.747 50 30 biogenic GKEARN C=CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1C(C)C)c2=O ZINC000001777082 206248300 /nfs/dbraw/zinc/24/83/00/206248300.db2.gz NIIGJQBASWGPDC-UHFFFAOYSA-N 0 0 380.396 5.410 50 30 GKEARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cncc(C#Cc2ccccc2)c1 ZINC000001039838 206248304 /nfs/dbraw/zinc/24/83/04/206248304.db2.gz MKTRBQZKPDVZSY-UHFFFAOYSA-N 0 0 381.357 5.144 50 30 GKEARN C=C(C)CSc1nc(Cc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000001826678 206248357 /nfs/dbraw/zinc/24/83/57/206248357.db2.gz WLPLUPRWIWNUDA-UHFFFAOYSA-N 0 0 396.581 5.802 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000000755276 206248745 /nfs/dbraw/zinc/24/87/45/206248745.db2.gz MHPNJAJNUIWRAB-UHFFFAOYSA-N 0 0 398.553 5.003 50 30 GKEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002182364 206249339 /nfs/dbraw/zinc/24/93/39/206249339.db2.gz FIZZJFKZCIZORT-INIZCTEOSA-N 0 0 396.556 5.067 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccs1 ZINC000005500257 211568326 /nfs/dbraw/zinc/56/83/26/211568326.db2.gz MAUVZOCFRPVFQW-GHXNOFRVSA-N 0 0 388.823 5.312 50 30 GKEARN Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3cc(Cl)cc(C)c3C1=O)S2 ZINC000004712894 211551054 /nfs/dbraw/zinc/55/10/54/211551054.db2.gz NDDLLTAIKYHPOD-ZCXUNETKSA-N 0 0 393.316 6.099 50 30 aggregator GKEARN O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1OC(=O)c1cccs1 ZINC000004833768 206293895 /nfs/dbraw/zinc/29/38/95/206293895.db2.gz AJFWSVYDTOUOHO-VQHVLOKHSA-N 0 0 386.831 5.656 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3cc(C)ccc3C)ccc2C1=O ZINC000005164847 206293906 /nfs/dbraw/zinc/29/39/06/206293906.db2.gz IQGLJGYVSLMCFE-MTJSOVHGSA-N 0 0 376.477 5.869 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2cccs2)c1 ZINC000004279047 206293992 /nfs/dbraw/zinc/29/39/92/206293992.db2.gz INKXQKZFTKKXAV-IZZDOVSWSA-N 0 0 398.867 5.525 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccco3)C12 ZINC000009110473 206306983 /nfs/dbraw/zinc/30/69/83/206306983.db2.gz DJCDGSVNDVIMCJ-WAIKUNEKSA-N 0 0 381.435 5.045 50 30 GKEARN N#C[C@H](c1c(Cl)cccc1Cl)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624464 206308466 /nfs/dbraw/zinc/30/84/66/206308466.db2.gz GJUKEXQFCDFTSI-MOPGFXCFSA-N 0 0 394.301 6.657 50 30 GKEARN N#CC(C#N)[C@H](CC(=O)c1ccc(Cl)s1)c1c(Cl)cccc1Cl ZINC000000637552 206310444 /nfs/dbraw/zinc/31/04/44/206310444.db2.gz YTTANKTZJAJSFV-JTQLQIEISA-N 0 0 383.687 5.728 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccccc1Cl ZINC000000647688 206312428 /nfs/dbraw/zinc/31/24/28/206312428.db2.gz WOUVTKDIPNMELY-PZJWPPBQSA-N 0 0 389.882 5.382 50 30 GKEARN Cc1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000000687147 206317175 /nfs/dbraw/zinc/31/71/75/206317175.db2.gz OSXCNSSENXLNIB-LJQANCHMSA-N 0 0 378.522 5.709 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000709502 206317519 /nfs/dbraw/zinc/31/75/19/206317519.db2.gz ANMLZPLSKAQSBD-IBVKSMDESA-N 0 0 380.491 5.975 50 30 GKEARN CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(c2ccccc2)C(=O)N1c1ccccc1 ZINC000000707766 206318375 /nfs/dbraw/zinc/31/83/75/206318375.db2.gz KZWAARIHHJFPDI-NRFANRHFSA-N 0 0 388.294 5.233 50 30 GKEARN CCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000718247 206319223 /nfs/dbraw/zinc/31/92/23/206319223.db2.gz NZYNUNRWZJPXAC-QHCPKHFHSA-N 0 0 398.506 5.834 50 30 GKEARN CCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000718248 206319324 /nfs/dbraw/zinc/31/93/24/206319324.db2.gz NZYNUNRWZJPXAC-HSZRJFAPSA-N 0 0 398.506 5.834 50 30 GKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccccc1)N2 ZINC000000864940 206329462 /nfs/dbraw/zinc/32/94/62/206329462.db2.gz ICXNYSWSOPJYPJ-RUZDIDTESA-N 0 0 394.474 5.503 50 30 GKEARN CCc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000870005 206330312 /nfs/dbraw/zinc/33/03/12/206330312.db2.gz WBURBRWIKXNCLT-RUZDIDTESA-N 0 0 382.507 6.107 50 30 GKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O ZINC000000902508 206332035 /nfs/dbraw/zinc/33/20/35/206332035.db2.gz DMXMQHPVUQGYRJ-UHFFFAOYSA-N 0 0 393.527 5.098 50 30 GKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000885431 206332203 /nfs/dbraw/zinc/33/22/03/206332203.db2.gz JKNGCCJJFHGVPD-AREMUKBSSA-N 0 0 397.522 5.754 50 30 GKEARN C[C@H](Nc1oc(COc2ccc(Br)cc2)nc1C#N)c1ccccc1 ZINC000000934553 206334306 /nfs/dbraw/zinc/33/43/06/206334306.db2.gz SZUPKERYJMTITF-ZDUSSCGKSA-N 0 0 398.260 5.061 50 30 GKEARN CCOc1ccc(/N=C2\CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000000978709 206338598 /nfs/dbraw/zinc/33/85/98/206338598.db2.gz OJJFMNSMEMBITI-ZBJSNUHESA-N 0 0 383.289 5.786 50 30 GKEARN COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000000972441 206338825 /nfs/dbraw/zinc/33/88/25/206338825.db2.gz ZSHRQTMHUDGULD-UHFFFAOYSA-N 0 0 394.430 5.746 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCO4)sc2C1 ZINC000000995597 206339758 /nfs/dbraw/zinc/33/97/58/206339758.db2.gz YQMRFZLBBYLRLY-CQSZACIVSA-N 0 0 396.512 5.142 50 30 GKEARN C[C@@H]1CC2=CCCC(C)(C)[C@H]2C[C@@H]1CN=Nc1nnc2c3ccccc3[nH]c2n1 ZINC000001004857 206340891 /nfs/dbraw/zinc/34/08/91/206340891.db2.gz ZJMNWWOSWJJSTK-MMQHEBMJSA-N 0 0 388.519 5.313 50 30 biogenic GKEARN CC(=O)COc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCc1ccccc1-2 ZINC000001036070 206344976 /nfs/dbraw/zinc/34/49/76/206344976.db2.gz CMPOKMNHEPZVNE-UHFFFAOYSA-N 0 0 388.854 5.007 50 30 GKEARN Cc1nc(-c2cc(C#N)c(Sc3cccc(C(F)(F)F)c3)nc2C)cs1 ZINC000001046983 206345912 /nfs/dbraw/zinc/34/59/12/206345912.db2.gz PAJDVGIPIGTMKF-UHFFFAOYSA-N 0 0 391.443 5.864 50 30 GKEARN COc1ccccc1Oc1ccc([N+](=O)[O-])c(Oc2ccccc2OC)c1C#N ZINC000001048831 206345966 /nfs/dbraw/zinc/34/59/66/206345966.db2.gz OLLIBAYMFBQVQY-UHFFFAOYSA-N 0 0 392.367 5.068 50 30 GKEARN N#CC(C#N)(Cc1c(Cl)cccc1Cl)Cc1c(Cl)cccc1Cl ZINC000001049010 206345989 /nfs/dbraw/zinc/34/59/89/206345989.db2.gz MIOKWCMETHGKJO-UHFFFAOYSA-N 0 0 384.093 6.119 50 30 GKEARN Cc1occc1C(=O)Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C#N ZINC000001053423 206346981 /nfs/dbraw/zinc/34/69/81/206346981.db2.gz UZAZHQMFCJRXBW-UHFFFAOYSA-N 0 0 377.252 5.747 50 30 GKEARN Cc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1cccc(F)c1 ZINC000001066277 206348839 /nfs/dbraw/zinc/34/88/39/206348839.db2.gz OMVXHBAWMODLGK-UHFFFAOYSA-N 0 0 377.444 5.291 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1 ZINC000001077612 206350229 /nfs/dbraw/zinc/35/02/29/206350229.db2.gz KKUYRVOWKGLJEO-KDYSTLNUSA-N 0 0 394.518 6.283 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccco3)C12 ZINC000001460140 206382926 /nfs/dbraw/zinc/38/29/26/206382926.db2.gz UKSUOTLCMBNMLL-CMJOXMDJSA-N 0 0 399.425 5.184 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000001169186 206363146 /nfs/dbraw/zinc/36/31/46/206363146.db2.gz HZBMEEXRWZJSOW-QFIPXVFZSA-N 0 0 380.875 5.257 50 30 GKEARN O=C1C=C(Nc2ccc(Br)c(Cl)c2)C[C@H](c2ccccc2)C1 ZINC000001216171 206367380 /nfs/dbraw/zinc/36/73/80/206367380.db2.gz AUAULTUWHKOKKB-ZDUSSCGKSA-N 0 0 376.681 5.545 50 30 GKEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000001268365 206370266 /nfs/dbraw/zinc/37/02/66/206370266.db2.gz HDYOQCQADXFKLH-OAHLLOKOSA-N 0 0 382.529 5.097 50 30 GKEARN CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000001278090 206371039 /nfs/dbraw/zinc/37/10/39/206371039.db2.gz GOUCABWGZLQPBR-HSZRJFAPSA-N 0 0 376.500 5.332 50 30 GKEARN Cc1cccc(CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)c1 ZINC000001749874 206391155 /nfs/dbraw/zinc/39/11/55/206391155.db2.gz VSDHXZJSXTVCFN-UHFFFAOYSA-N 0 0 398.556 6.950 50 30 GKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000001881377 206392826 /nfs/dbraw/zinc/39/28/26/206392826.db2.gz JSIJUGHAMIFZRW-ANHFWIFSSA-N 0 0 396.402 5.784 50 30 GKEARN CCOc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N ZINC000002057835 206396802 /nfs/dbraw/zinc/39/68/02/206396802.db2.gz QVQCKEDAHAQTSU-UHFFFAOYSA-N 0 0 379.257 5.448 50 30 GKEARN CCCOc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N ZINC000002057836 206397659 /nfs/dbraw/zinc/39/76/59/206397659.db2.gz SOTQMPNHKXNLBA-UHFFFAOYSA-N 0 0 393.284 5.839 50 30 GKEARN CC(C)(C)C(=O)C1=C(C(C)(C)C)O[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000002077932 206398726 /nfs/dbraw/zinc/39/87/26/206398726.db2.gz IYZWRSIMOOJHBU-QHCPKHFHSA-N 0 0 391.511 5.664 50 30 GKEARN C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2)S1 ZINC000002229775 206403219 /nfs/dbraw/zinc/40/32/19/206403219.db2.gz FIKRXINMHBWHLJ-CFXPEFFESA-N 0 0 379.407 5.362 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000003324106 206470552 /nfs/dbraw/zinc/47/05/52/206470552.db2.gz AKKXRUZBPHSEAB-YMWOEAMWSA-N 0 0 388.466 6.754 50 30 GKEARN Cc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1 ZINC000003104508 206457474 /nfs/dbraw/zinc/45/74/74/206457474.db2.gz MVFUSCWQRSTCMP-UHFFFAOYSA-N 0 0 378.884 5.924 50 30 GKEARN CCCCCCCCOc1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000003170694 206459491 /nfs/dbraw/zinc/45/94/91/206459491.db2.gz KTONDEIMEQZTEF-UHFFFAOYSA-N 0 0 390.527 7.223 50 30 GKEARN Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(Br)cc3)cc2c1 ZINC000004349936 206516624 /nfs/dbraw/zinc/51/66/24/206516624.db2.gz XXLODKGZMZEDKR-WEVVVXLNSA-N 0 0 386.676 5.855 50 30 GKEARN C/C(=C\c1ccccc1)[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000004475012 206523173 /nfs/dbraw/zinc/52/31/73/206523173.db2.gz QRYIBCSUDTYKPZ-YIJROUQKSA-N 0 0 393.530 6.880 50 30 GKEARN FC(F)(F)Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004587373 206533006 /nfs/dbraw/zinc/53/30/06/206533006.db2.gz NDSKZNCWZCXAIQ-RWPZCVJISA-N 0 0 399.456 6.804 50 30 GKEARN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 ZINC000004651566 206536407 /nfs/dbraw/zinc/53/64/07/206536407.db2.gz UJLUQXYREFDZQR-FEUOJKLQSA-N 0 0 390.502 5.863 50 30 GKEARN CCCCCC1CCC(c2ccc(C(=O)ONC(=N)c3ccccn3)cc2)CC1 ZINC000004659715 206536774 /nfs/dbraw/zinc/53/67/74/206536774.db2.gz AYDNCYQZVVDCSD-UHFFFAOYSA-N 0 0 393.531 5.413 50 30 GKEARN C=CCc1cc(C=NNc2ccc(Br)cc2)cc(OCC)c1OC ZINC000004655958 206537787 /nfs/dbraw/zinc/53/77/87/206537787.db2.gz ZEJCKNBALZBXLY-FYJGNVAPSA-N 0 0 389.293 5.031 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004913973 206570610 /nfs/dbraw/zinc/57/06/10/206570610.db2.gz YXUCIVWFSUIMOF-VXGBXAGGSA-N 0 0 392.307 5.059 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)cc1)OCCO3 ZINC000004794469 206555025 /nfs/dbraw/zinc/55/50/25/206555025.db2.gz HRQGHUYOZKFBSZ-NRFANRHFSA-N 0 0 395.886 5.312 50 30 GKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3)n2)cc1Cl ZINC000004828673 206558938 /nfs/dbraw/zinc/55/89/38/206558938.db2.gz FXRJUDQBLLGHHL-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1ccc(Cl)cc1 ZINC000004853534 206563211 /nfs/dbraw/zinc/56/32/11/206563211.db2.gz BZBJFSMXNUPBCL-PKNBQFBNSA-N 0 0 387.660 6.259 50 30 GKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CCC3)cc1 ZINC000004948711 206576036 /nfs/dbraw/zinc/57/60/36/206576036.db2.gz MTYLEEUGBASGCQ-HSZRJFAPSA-N 0 0 399.494 5.062 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SC[C@@H]1CO1 ZINC000005900029 206632108 /nfs/dbraw/zinc/63/21/08/206632108.db2.gz WRTAGFKFVXDIJD-KRWDZBQOSA-N 0 0 378.884 5.432 50 30 GKEARN N#Cc1cc(C(=O)Cc2ccc(Cl)cc2)cn1Cc1c(F)cccc1Cl ZINC000006219875 206644779 /nfs/dbraw/zinc/64/47/79/206644779.db2.gz AJUAWGWKYQPJIT-UHFFFAOYSA-N 0 0 387.241 5.279 50 30 GKEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000096346649 211336119 /nfs/dbraw/zinc/33/61/19/211336119.db2.gz ZTAYBSVDLKTBQJ-FGZHOGPDSA-N 0 0 383.495 5.276 50 30 GKEARN O=C(Nc1sc2c(c1C=NNc1ccccc1)CCCC2)c1ccccc1 ZINC000009943214 206804487 /nfs/dbraw/zinc/80/44/87/206804487.db2.gz SDZFSJFBMPTQKN-HZHRSRAPSA-N 0 0 375.497 5.325 50 30 GKEARN CCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2OC)c1C#N ZINC000037868865 210746820 /nfs/dbraw/zinc/74/68/20/210746820.db2.gz IWLAPPUIGMHZRF-UHFFFAOYSA-N 0 0 390.508 5.807 50 30 GKEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003323472 210755695 /nfs/dbraw/zinc/75/56/95/210755695.db2.gz WUJDZBXJPITBCT-UHFFFAOYSA-N 0 0 388.540 5.593 50 30 GKEARN CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 ZINC000016161389 207072621 /nfs/dbraw/zinc/07/26/21/207072621.db2.gz JNSOOBRXHPDLBA-SXGWCWSVSA-N 0 0 377.296 5.447 50 30 GKEARN C=C/C(C)=C\C(=N/C)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000018196612 207095320 /nfs/dbraw/zinc/09/53/20/207095320.db2.gz GUPICBNDRRZPSY-GNTSWZRDSA-N 0 0 392.069 5.057 50 30 GKEARN CC(C)c1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000018197525 207095390 /nfs/dbraw/zinc/09/53/90/207095390.db2.gz TWBGMXNEADDIOW-HSZRJFAPSA-N 0 0 389.495 5.739 50 30 GKEARN Cc1ccsc1[C@@H]1c2c(C)[nH]nc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000018200082 207096069 /nfs/dbraw/zinc/09/60/69/207096069.db2.gz VAZIIDINXXEBRI-KZULUSFZSA-N 0 0 381.526 5.108 50 30 GKEARN O=C1c2ccccc2/C(=N\c2ccccc2)[C@@H]1c1cccc(Br)c1 ZINC000018285361 207098600 /nfs/dbraw/zinc/09/86/00/207098600.db2.gz LOWAVSRANSPYOF-YFJJEWJYSA-N 0 0 376.253 5.550 50 30 GKEARN CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCCC[C@H]2C)n1 ZINC000019820422 207164853 /nfs/dbraw/zinc/16/48/53/207164853.db2.gz NRIKKZFVNAQRPJ-OAHLLOKOSA-N 0 0 380.561 5.413 50 30 GKEARN CN1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 ZINC000020421259 207192212 /nfs/dbraw/zinc/19/22/12/207192212.db2.gz OEDJFAJIJMSAON-MUPYBJATSA-N 0 0 389.498 5.975 50 30 GKEARN N#Cc1c(N)nc(SCc2ccc(Cl)cc2)c(C#N)c1-c1cccs1 ZINC000020462889 207196638 /nfs/dbraw/zinc/19/66/38/207196638.db2.gz DVHREOQLTPHFBI-UHFFFAOYSA-N 0 0 382.901 5.081 50 30 GKEARN C[C@@H](Cc1ccccc1)Nc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020829000 207214809 /nfs/dbraw/zinc/21/48/09/207214809.db2.gz KNJRUHCYNGBEKK-SFHVURJKSA-N 0 0 397.522 5.515 50 30 GKEARN COc1ccc(-c2ccc3nc(-c4ccccc4C#N)oc3c2)c(OC)c1OC ZINC000023451165 207277233 /nfs/dbraw/zinc/27/72/33/207277233.db2.gz FPFIEERBSFXOFY-UHFFFAOYSA-N 0 0 386.407 5.059 50 30 GKEARN C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000036333336 207520082 /nfs/dbraw/zinc/52/00/82/207520082.db2.gz BHMPPGABHNXMRI-AWEZNQCLSA-N 0 0 394.446 5.479 50 30 GKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCc1cccc(C#N)c1 ZINC000089960698 208111580 /nfs/dbraw/zinc/11/15/80/208111580.db2.gz BMLMPNVTIAJDSD-UHFFFAOYSA-N 0 0 375.419 5.629 50 30 GKEARN N#CCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 ZINC000001915086 208498444 /nfs/dbraw/zinc/49/84/44/208498444.db2.gz QOUAEDBWRXPODP-UHFFFAOYSA-N 0 0 379.721 5.035 50 30 GKEARN CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000004026945 208516460 /nfs/dbraw/zinc/51/64/60/208516460.db2.gz NQRNQFVQINDGPA-YRMUEYENSA-N 0 0 387.608 7.231 50 30 biogenic GKEARN COc1ccc2ccccc2c1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004757854 208546111 /nfs/dbraw/zinc/54/61/11/208546111.db2.gz GYEXNDKGUFNXPL-RUZDIDTESA-N 0 0 398.506 6.070 50 30 GKEARN CCOc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000005509628 208670643 /nfs/dbraw/zinc/67/06/43/208670643.db2.gz ORUGIQFPNDXQSG-UHFFFAOYSA-N 0 0 376.485 5.188 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000000729495 220456023 /nfs/dbraw/zinc/45/60/23/220456023.db2.gz WCLSGIZZZLWDOK-OSPHWJPCSA-N 0 0 386.520 6.036 50 30 GKEARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(Oc3ncccc3C#N)cc21 ZINC000000977862 220472683 /nfs/dbraw/zinc/47/26/83/220472683.db2.gz CYSJITFEBOTKDI-UHFFFAOYSA-N 0 0 397.434 5.175 50 30 GKEARN CCCCCCCCCn1c2ccccc2nc1NCc1c[nH]c2ccccc12 ZINC000002260180 220515921 /nfs/dbraw/zinc/51/59/21/220515921.db2.gz YRMZMYYHOABTBE-UHFFFAOYSA-N 0 0 388.559 6.880 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)cc1 ZINC000002305920 220520079 /nfs/dbraw/zinc/52/00/79/220520079.db2.gz BUNDVYAZXGGGAU-XMMPIXPASA-N 0 0 387.910 6.803 50 30 GKEARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002486381 220539317 /nfs/dbraw/zinc/53/93/17/220539317.db2.gz UGVWQEBQCKOXPR-UHFFFAOYSA-N 0 0 377.469 5.104 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000002580684 220542943 /nfs/dbraw/zinc/54/29/43/220542943.db2.gz VTXYDRYEGXEPOA-AZUAARDMSA-N 0 0 389.278 5.313 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2C1 ZINC000002736584 220558925 /nfs/dbraw/zinc/55/89/25/220558925.db2.gz WUOWSLGLIVTSAF-RCLKMUNOSA-N 0 0 378.541 5.910 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000002874095 220577384 /nfs/dbraw/zinc/57/73/84/220577384.db2.gz DQICJEMFWMUULZ-HXUWFJFHSA-N 0 0 390.512 5.443 50 30 GKEARN Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Cl)c1 ZINC000002867198 220577652 /nfs/dbraw/zinc/57/76/52/220577652.db2.gz LAUWEFMNERGEPJ-NSHDSACASA-N 0 0 388.920 5.032 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc3ccccc31)Nc1ccccc1-2 ZINC000002874274 220578060 /nfs/dbraw/zinc/57/80/60/220578060.db2.gz NCVIJHFNXDIJNV-OAQYLSRUSA-N 0 0 398.491 5.473 50 30 GKEARN Fc1cccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1 ZINC000003041553 220599584 /nfs/dbraw/zinc/59/95/84/220599584.db2.gz HDORTJRTLBQLKC-UHFFFAOYSA-N 0 0 376.231 5.599 50 30 GKEARN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000003081499 220603728 /nfs/dbraw/zinc/60/37/28/220603728.db2.gz UUKFEUGCOSMSGO-OEAKJJBVSA-N 0 0 380.285 6.087 50 30 GKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)cc1Cl ZINC000003113082 220604158 /nfs/dbraw/zinc/60/41/58/220604158.db2.gz BFWOVUBTXACYHW-WYMPLXKRSA-N 0 0 380.806 6.047 50 30 GKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(F)cc1 ZINC000003128312 220605327 /nfs/dbraw/zinc/60/53/27/220605327.db2.gz WSVXSYOLODEDPT-UHFFFAOYSA-N 0 0 375.255 6.217 50 30 GKEARN C[C@@H](C#N)OC(=O)c1c2ccccc2nc2c1C[C@H](C)C/C2=C/c1ccccc1 ZINC000097653140 533162634 /nfs/dbraw/zinc/16/26/34/533162634.db2.gz JEXWBLFHMKTLOH-FHDLINQPSA-N 0 0 382.463 5.427 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000003883279 220669027 /nfs/dbraw/zinc/66/90/27/220669027.db2.gz VTXYDRYEGXEPOA-ICSRJNTNSA-N 0 0 389.278 5.313 50 30 GKEARN O=C(/C=C/c1ccco1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000004032150 220672500 /nfs/dbraw/zinc/67/25/00/220672500.db2.gz UABRKOPHVNHEJG-PKNBQFBNSA-N 0 0 375.811 5.338 50 30 GKEARN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000004738836 220756656 /nfs/dbraw/zinc/75/66/56/220756656.db2.gz QTBDHPADVFMPFL-ZMOGYAJESA-N 0 0 395.344 6.533 50 30 GKEARN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4C#N)cc3)C(=O)O2)cc1 ZINC000004739000 220756671 /nfs/dbraw/zinc/75/66/71/220756671.db2.gz XXCNUTGGSUMHAM-OEAKJJBVSA-N 0 0 393.442 5.427 50 30 GKEARN Brc1ccc2[nH]c(=NN=Cc3ccco3)cc(-c3ccccc3)c2c1 ZINC000004817125 220769281 /nfs/dbraw/zinc/76/92/81/220769281.db2.gz GFBIBLNKJMLQDX-LPYMAVHISA-N 0 0 392.256 5.703 50 30 GKEARN c1cc(CN=Nc2ncnc3scc(-c4ccccc4)c32)n(-c2ccccc2)c1 ZINC000005490035 220876590 /nfs/dbraw/zinc/87/65/90/220876590.db2.gz IDSJVTSEAOGFNE-VULFUBBASA-N 0 0 395.491 5.595 50 30 GKEARN N#Cc1c(S[C@H]2CCCC[C@H]2O)nc(-c2cccs2)cc1-c1ccccc1 ZINC000005660638 220889912 /nfs/dbraw/zinc/88/99/12/220889912.db2.gz BWDFQWURYMOIMX-CTNGQTDRSA-N 0 0 392.549 5.744 50 30 GKEARN CCc1ccc(/N=C2\NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005809633 220901069 /nfs/dbraw/zinc/90/10/69/220901069.db2.gz FFPNZQMJEHZIDU-INIZCTEOSA-N 0 0 379.312 5.018 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C1 ZINC000007995732 221022486 /nfs/dbraw/zinc/02/24/86/221022486.db2.gz TYBYNSSRXXAIOD-CYBMUJFWSA-N 0 0 393.537 5.049 50 30 GKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC)cc3)c12 ZINC000008342533 221038312 /nfs/dbraw/zinc/03/83/12/221038312.db2.gz PNCIRUZKGSXWRE-NTCAYCPXSA-N 0 0 385.467 5.078 50 30 GKEARN N#Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 ZINC000008393571 221039740 /nfs/dbraw/zinc/03/97/40/221039740.db2.gz UFASNQSYADADCO-UHFFFAOYSA-N 0 0 394.931 5.878 50 30 GKEARN Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)nc2c1C ZINC000008395076 221039742 /nfs/dbraw/zinc/03/97/42/221039742.db2.gz NENQWOSLMHOUAA-UHFFFAOYSA-N 0 0 397.503 5.632 50 30 GKEARN C[C@@H](Nc1oc(-c2ccc(COc3ccccc3)o2)nc1C#N)c1ccccc1 ZINC000008654588 221048858 /nfs/dbraw/zinc/04/88/58/221048858.db2.gz LGRVWJGSDAOWFU-MRXNPFEDSA-N 0 0 385.423 5.558 50 30 GKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCCCC1 ZINC000008654599 221048929 /nfs/dbraw/zinc/04/89/29/221048929.db2.gz BWCZHWKWWPKGHG-UHFFFAOYSA-N 0 0 383.835 5.029 50 30 GKEARN C[C@H](NC(=S)Nc1c(Br)cccc1OC(F)F)C(C)(C)C ZINC000008687632 221049661 /nfs/dbraw/zinc/04/96/61/221049661.db2.gz QRIRNYBYOCKQMM-QMMMGPOBSA-N 0 0 381.286 5.183 50 30 GKEARN N#Cc1c(SCCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000009422799 221080571 /nfs/dbraw/zinc/08/05/71/221080571.db2.gz YAGDJHWBNKDHJO-UHFFFAOYSA-N 0 0 390.455 6.035 50 30 GKEARN O=C1c2ccc(OCc3c(F)cccc3Cl)cc2O/C1=C\c1cccs1 ZINC000008990601 221066620 /nfs/dbraw/zinc/06/66/20/221066620.db2.gz IAMLZWKDRHBSJX-GRSHGNNSSA-N 0 0 386.831 5.736 50 30 GKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000012719753 221221063 /nfs/dbraw/zinc/22/10/63/221221063.db2.gz QMUTWRBFFVDYDU-XWBXADGBSA-N 0 0 388.507 5.520 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(O)cc2)cs1)c1c(C)cccc1C ZINC000012927082 221246983 /nfs/dbraw/zinc/24/69/83/221246983.db2.gz ZXURKOJQWKAIRX-FMIVXFBMSA-N 0 0 392.480 5.046 50 30 GKEARN O=C1[C@H](Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013142721 221262949 /nfs/dbraw/zinc/26/29/49/221262949.db2.gz UEYFPZXCVSZFMI-HNWIBAKRSA-N 0 0 376.456 5.205 50 30 GKEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccccc1C(F)(F)F ZINC000014359535 221308870 /nfs/dbraw/zinc/30/88/70/221308870.db2.gz VQYJCFRDXCYWFG-MOHJPFBDSA-N 0 0 392.446 5.229 50 30 GKEARN C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000014632797 221313706 /nfs/dbraw/zinc/31/37/06/221313706.db2.gz VCXWQJIPHDASSM-HNNXBMFYSA-N 0 0 394.396 5.735 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)[C@@]12CCOC(C)(C)C2 ZINC000017138317 221379461 /nfs/dbraw/zinc/37/94/61/221379461.db2.gz XOQWQVNJXRZWGS-HSZRJFAPSA-N 0 0 393.556 5.467 50 30 GKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2cccc(C)c2C)cc1 ZINC000018037954 221386225 /nfs/dbraw/zinc/38/62/25/221386225.db2.gz CUSIJWHQIULJFW-HZHRSRAPSA-N 0 0 378.497 5.163 50 30 GKEARN CCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CCC3)cc1 ZINC000018197126 221390123 /nfs/dbraw/zinc/39/01/23/221390123.db2.gz OWNGBWRTWNAIDB-QHCPKHFHSA-N 0 0 399.494 5.144 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000018276070 221390841 /nfs/dbraw/zinc/39/08/41/221390841.db2.gz WDIKJYHNOQCKEE-JOCHJYFZSA-N 0 0 394.902 5.503 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sccc1C ZINC000018244469 221391474 /nfs/dbraw/zinc/39/14/74/221391474.db2.gz MCUZOIXXLQXJBK-OAQYLSRUSA-N 0 0 394.540 5.610 50 30 GKEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000020011997 221466214 /nfs/dbraw/zinc/46/62/14/221466214.db2.gz MZNLLLVBICXRPW-ZHACJKMWSA-N 0 0 394.434 5.068 50 30 GKEARN COc1c2[nH]c(C)c(C)c2ccc1NC(=CC(=O)c1ccccc1)c1ccccc1 ZINC000004186710 533447382 /nfs/dbraw/zinc/44/73/82/533447382.db2.gz QEOUWVQPXWLRFA-XQNSMLJCSA-N 0 0 396.490 6.129 50 30 GKEARN COc1cc(/N=C/c2cc3cccc(C)c3nc2Cl)c(OC)cc1Cl ZINC000100330761 533484556 /nfs/dbraw/zinc/48/45/56/533484556.db2.gz GYMZKHHTMXAKFE-LSHDLFTRSA-N 0 0 375.255 5.618 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)CC1 ZINC000061997329 136156268 /nfs/dbraw/zinc/15/62/68/136156268.db2.gz OFDSCNXZPRAFRO-UHFFFAOYSA-N 0 0 392.547 5.337 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@@H]3CC[C@]21C ZINC000257349469 209079879 /nfs/dbraw/zinc/07/98/79/209079879.db2.gz OJFSRAVBTAGBIM-UWFAUBLZSA-N 0 0 386.664 7.629 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@H]3CC[C@]21C ZINC000257350609 209080389 /nfs/dbraw/zinc/08/03/89/209080389.db2.gz YSHCPAAHOVSKSB-CEWZFQPKSA-N 0 0 386.664 7.629 50 30 GKEARN N#Cc1ccc(C(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1 ZINC000033115617 221772800 /nfs/dbraw/zinc/77/28/00/221772800.db2.gz WFUUUESILKBYIG-HSZRJFAPSA-N 0 0 395.487 5.156 50 30 GKEARN CCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2ccccc2C#N)n1 ZINC000037510350 221871366 /nfs/dbraw/zinc/87/13/66/221871366.db2.gz SAUPKTBQYOIQSA-UHFFFAOYSA-N 0 0 375.497 5.612 50 30 GKEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063584221 222067734 /nfs/dbraw/zinc/06/77/34/222067734.db2.gz CJWOYSUGJOWWDZ-UHFFFAOYSA-N 0 0 399.469 5.081 50 30 GKEARN N#Cc1c(C=CNc2ccc(C(F)(F)F)cc2)onc1-c1ccccc1Cl ZINC000100406370 222458615 /nfs/dbraw/zinc/45/86/15/222458615.db2.gz GZTVHGDKBDAHCX-MDZDMXLPSA-N 0 0 389.764 5.968 50 30 GKEARN Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(Nc3ccccc3)nc12 ZINC000101164344 222469297 /nfs/dbraw/zinc/46/92/97/222469297.db2.gz SYUMTTLLGJMGTM-ZVHZXABRSA-N 0 0 388.858 5.151 50 30 GKEARN COc1ccccc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 ZINC000101091774 534183930 /nfs/dbraw/zinc/18/39/30/534183930.db2.gz ICNMYLKLLVZUMP-UHFFFAOYSA-N 0 0 395.380 5.891 50 30 GKEARN COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1 ZINC000101092693 534184749 /nfs/dbraw/zinc/18/47/49/534184749.db2.gz LXNMDNCESTUUGC-UHFFFAOYSA-N 0 0 395.380 5.891 50 30 GKEARN Brc1ccc(-c2ccc(/C=N/CCc3c[nH]c4ccccc34)o2)cc1 ZINC000002286685 518207659 /nfs/dbraw/zinc/20/76/59/518207659.db2.gz ABRHRZFVYJSRJK-OEAKJJBVSA-N 0 0 393.284 5.852 50 30 GKEARN CC(=O)[C@]12CC(C)=C(C)C[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253505574 518221684 /nfs/dbraw/zinc/22/16/84/518221684.db2.gz DWXXDCFQXAHBDL-WROMGITCSA-N 0 0 394.599 6.450 50 30 biogenic GKEARN C#CCN(Cc1ccco1)Cc1nc(-c2ccc(OC)c3ccccc23)oc1C ZINC000020914418 518262987 /nfs/dbraw/zinc/26/29/87/518262987.db2.gz AODKUZRAMNVUSY-UHFFFAOYSA-N 0 0 386.451 5.040 50 30 GKEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000020102802 518449492 /nfs/dbraw/zinc/44/94/92/518449492.db2.gz SPHNQPCBXMOEGX-BWAHOGKJSA-N 0 0 377.919 5.035 50 30 GKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000004989988 518451380 /nfs/dbraw/zinc/45/13/80/518451380.db2.gz TWNCWYDLIUEASC-QRQIAZFYSA-N 0 0 382.442 5.786 50 30 GKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(N)cc1 ZINC000004977338 518453824 /nfs/dbraw/zinc/45/38/24/518453824.db2.gz LYFFIFREZKAHKB-QRQIAZFYSA-N 0 0 379.467 5.229 50 30 GKEARN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc(-c2ccccc2)cc1 ZINC000033550316 518455121 /nfs/dbraw/zinc/45/51/21/518455121.db2.gz NEHSUKXBOIRTPY-YUMHPJSZSA-N 0 0 398.535 6.073 50 30 GKEARN C/C(=N/OCc1ccc(F)cc1Cl)c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051093 518457360 /nfs/dbraw/zinc/45/73/60/518457360.db2.gz BRRWVTSIBQPNTM-QQXSKIMKSA-N 0 0 394.877 5.940 50 30 GKEARN C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)c1C ZINC000035843367 518457398 /nfs/dbraw/zinc/45/73/98/518457398.db2.gz IUHHCTAQQJTKJB-HFTWOUSFSA-N 0 0 394.518 6.702 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1 ZINC000035653410 518467721 /nfs/dbraw/zinc/46/77/21/518467721.db2.gz OSASBFDMAKHNOR-LSHDLFTRSA-N 0 0 396.730 6.606 50 30 GKEARN CC(=NOC(=O)Nc1cccc(Cl)c1)c1sc(-c2ccccc2)nc1C ZINC000004050418 518470553 /nfs/dbraw/zinc/47/05/53/518470553.db2.gz GTNZFFZXHZWRSP-YDZHTSKRSA-N 0 0 385.876 5.745 50 30 GKEARN C/C(=N\OC(=O)c1ccc(C)cc1)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000004300815 518470570 /nfs/dbraw/zinc/47/05/70/518470570.db2.gz QEXRPNHFAMGNSN-YZSQISJMSA-N 0 0 377.528 6.097 50 30 GKEARN C=C(Br)Cn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 ZINC000001470594 518585334 /nfs/dbraw/zinc/58/53/34/518585334.db2.gz KHKIIKIXLBCPNZ-UHFFFAOYSA-N 0 0 399.332 5.956 50 30 GKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2ccc(F)cc2)o1 ZINC000036167715 518587673 /nfs/dbraw/zinc/58/76/73/518587673.db2.gz PKAVDURPTJRCQB-UHFFFAOYSA-N 0 0 395.474 5.554 50 30 GKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000009306628 518592560 /nfs/dbraw/zinc/59/25/60/518592560.db2.gz WTDLUEAZNKKYSQ-YVLHZVERSA-N 0 0 391.250 5.561 50 30 GKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009184174 518592773 /nfs/dbraw/zinc/59/27/73/518592773.db2.gz XUJFHXRXTHFABN-IUXPMGMMSA-N 0 0 391.250 5.561 50 30 GKEARN C=C(C)Cn1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sc(C)cc21 ZINC000037542054 518639554 /nfs/dbraw/zinc/63/95/54/518639554.db2.gz NVTCTGHWCAPMLH-UHFFFAOYSA-N 0 0 392.446 5.536 50 30 GKEARN C=C(C)Cn1cnc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O ZINC000013733284 518643209 /nfs/dbraw/zinc/64/32/09/518643209.db2.gz BMIYEBIJZBWABS-UHFFFAOYSA-N 0 0 387.508 5.128 50 30 GKEARN C=C(Cl)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 ZINC000006140815 518651453 /nfs/dbraw/zinc/65/14/53/518651453.db2.gz KDYYVOQWCWFRHA-UHFFFAOYSA-N 0 0 393.940 5.312 50 30 GKEARN C=CCCCOc1ccc(/C=C\C(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000034782101 518702399 /nfs/dbraw/zinc/70/23/99/518702399.db2.gz GKXIEGWRRAGZIQ-WQRHYEAKSA-N 0 0 378.512 6.497 50 30 GKEARN C=CCCc1ccc(-c2ccc(OCCCCCCCCCC)c(F)c2)nc1 ZINC000097997810 518728772 /nfs/dbraw/zinc/72/87/72/518728772.db2.gz DIHCWZVTUPRKEE-UHFFFAOYSA-N 0 0 383.551 7.526 50 30 GKEARN C=CCN(C(=O)Cc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008326046 518734464 /nfs/dbraw/zinc/73/44/64/518734464.db2.gz DNLJHSVIKLVYNV-UHFFFAOYSA-N 0 0 386.879 5.364 50 30 GKEARN C=CCN(C(=O)c1cccc(Br)c1)c1nc(-c2ccccc2)cs1 ZINC000013137671 518738900 /nfs/dbraw/zinc/73/89/00/518738900.db2.gz HHDZKQFUJCIQCN-UHFFFAOYSA-N 0 0 399.313 5.405 50 30 GKEARN C=CCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003260275 518740067 /nfs/dbraw/zinc/74/00/67/518740067.db2.gz LSRFSQSPWBICJU-UHFFFAOYSA-N 0 0 396.515 6.310 50 30 GKEARN C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000009517071 518788984 /nfs/dbraw/zinc/78/89/84/518788984.db2.gz URWVNRKGMYMIBZ-JOCHJYFZSA-N 0 0 392.524 5.244 50 30 GKEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccccc1C ZINC000036032280 518796257 /nfs/dbraw/zinc/79/62/57/518796257.db2.gz FGUYRKMNXNZFIF-UHFFFAOYSA-N 0 0 392.524 5.167 50 30 GKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)SC1=S ZINC000013548720 518824139 /nfs/dbraw/zinc/82/41/39/518824139.db2.gz GKYKTLUCJIDGDI-YBEGLDIGSA-N 0 0 375.902 5.296 50 30 GKEARN C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000001242934 518826751 /nfs/dbraw/zinc/82/67/51/518826751.db2.gz CIWRGAYFVJSDPT-UVTDQMKNSA-N 0 0 393.942 5.471 50 30 GKEARN CC(C)(C)c1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000003305565 519012638 /nfs/dbraw/zinc/01/26/38/519012638.db2.gz JEXXCIQRPCCCCG-UHFFFAOYSA-N 0 0 386.495 5.992 50 30 GKEARN C=CCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1Br ZINC000097990467 519013388 /nfs/dbraw/zinc/01/33/88/519013388.db2.gz MQHWRQGVPLPBLF-RIYZIHGNSA-N 0 0 390.664 5.160 50 30 GKEARN C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 ZINC000015016097 519014482 /nfs/dbraw/zinc/01/44/82/519014482.db2.gz MXEANKLLKZSKMY-PDGQHHTCSA-N 0 0 384.888 5.105 50 30 GKEARN C=CCOc1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000096620039 519016477 /nfs/dbraw/zinc/01/64/77/519016477.db2.gz BPMJDLJGYDOFFP-XFXZXTDPSA-N 0 0 379.481 5.148 50 30 GKEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000096533367 519016974 /nfs/dbraw/zinc/01/69/74/519016974.db2.gz YUEVAABXJHZLKB-ACQXMXPUSA-N 0 0 390.508 5.238 50 30 GKEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000096533368 519017356 /nfs/dbraw/zinc/01/73/56/519017356.db2.gz YUEVAABXJHZLKB-QKQONQEDSA-N 0 0 390.508 5.238 50 30 GKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013785719 519044565 /nfs/dbraw/zinc/04/45/65/519044565.db2.gz XIOHHPKZKILMLK-NOZRDPDXSA-N 0 0 382.463 5.494 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1c(F)cccc1F ZINC000035927848 519063637 /nfs/dbraw/zinc/06/36/37/519063637.db2.gz LTNXSGFYOAQMLC-UHFFFAOYSA-N 0 0 398.453 5.061 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2Cc1ccccc1C ZINC000035564658 519064067 /nfs/dbraw/zinc/06/40/67/519064067.db2.gz IFBGPMNMFJBLKO-SFHVURJKSA-N 0 0 376.500 5.091 50 30 GKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076530 519073412 /nfs/dbraw/zinc/07/34/12/519073412.db2.gz CDUNITITQAMJAK-INIZCTEOSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCSc1nc2ccccc2n1C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000012384095 519081564 /nfs/dbraw/zinc/08/15/64/519081564.db2.gz OHEUGNXMCDNXGQ-NHYWBVRUSA-N 0 0 381.328 5.546 50 30 GKEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cc(CCc2ccccc2)no1 ZINC000015002749 519118492 /nfs/dbraw/zinc/11/84/92/519118492.db2.gz GHMXPYUAWGEHDS-VXKWHMMOSA-N 0 0 376.500 5.141 50 30 GKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccc(Cl)cc1 ZINC000013382113 519121326 /nfs/dbraw/zinc/12/13/26/519121326.db2.gz VCKGRBBLEXOHDC-YSMPRRRNSA-N 0 0 376.891 5.670 50 30 GKEARN C=CCc1ccc(OCCCCOc2cccc3ccc(C)nc32)c(OC)c1 ZINC000013285134 519135663 /nfs/dbraw/zinc/13/56/63/519135663.db2.gz VPVNYTYRTNKYNB-UHFFFAOYSA-N 0 0 377.484 5.518 50 30 GKEARN C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N/c1cccc2ccccc21 ZINC000100793001 519148320 /nfs/dbraw/zinc/14/83/20/519148320.db2.gz YQULCUBIXHLKGV-OCOZRVBESA-N 0 0 386.520 6.105 50 30 GKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(C)cc1 ZINC000013777604 519148949 /nfs/dbraw/zinc/14/89/49/519148949.db2.gz PECHGRNZFXIKAJ-GYHWCHFESA-N 0 0 377.513 5.210 50 30 GKEARN C=CCn1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sc(C)cc21 ZINC000037525939 519167505 /nfs/dbraw/zinc/16/75/05/519167505.db2.gz OLMTZCJADNKILK-UHFFFAOYSA-N 0 0 378.419 5.146 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(C)c(Cl)c1 ZINC000005063437 519240137 /nfs/dbraw/zinc/24/01/37/519240137.db2.gz LJBVLQKHEHOKBO-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN C=CCn1c(SCc2cccc(C#N)c2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000005065722 519242004 /nfs/dbraw/zinc/24/20/04/519242004.db2.gz BQAALKVTBJJENP-UHFFFAOYSA-N 0 0 390.556 5.096 50 30 GKEARN C=CCn1c(SCc2sc3ccccc3c2Cl)nnc1-c1ccccc1 ZINC000014070875 519248496 /nfs/dbraw/zinc/24/84/96/519248496.db2.gz GMZYQLQWEGQGMX-UHFFFAOYSA-N 0 0 397.956 6.292 50 30 GKEARN C=CCn1c(S[C@@H](C)CCC#N)nc2scc(-c3cccs3)c2c1=O ZINC000170605481 519253426 /nfs/dbraw/zinc/25/34/26/519253426.db2.gz DAQPIGFPASTSFF-LBPRGKRZSA-N 0 0 387.555 5.157 50 30 GKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc4ccccc4c3)c12 ZINC000098054092 519267014 /nfs/dbraw/zinc/26/70/14/519267014.db2.gz REBGDQGKNJJHFH-SQFISAMPSA-N 0 0 391.474 5.833 50 30 GKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 ZINC000012662480 519316458 /nfs/dbraw/zinc/31/64/58/519316458.db2.gz QTVAEVHRCCYMMY-OYKKKHCWSA-N 0 0 384.431 5.533 50 30 biogenic GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2)cs1)c1ccc(C)c(C)c1 ZINC000007717920 519473982 /nfs/dbraw/zinc/47/39/82/519473982.db2.gz FBDMCALFRSWFDB-ZRDIBKRKSA-N 0 0 390.508 5.649 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2)cs1)c1ccc(F)cc1F ZINC000096924443 519477095 /nfs/dbraw/zinc/47/70/95/519477095.db2.gz SGSUIENACJEFBY-NTMALXAHSA-N 0 0 384.407 5.002 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2)cs1)c1cccc(C)c1C ZINC000096924484 519477898 /nfs/dbraw/zinc/47/78/98/519477898.db2.gz LCFZNWIHFGBTQL-QXMHVHEDSA-N 0 0 394.471 5.480 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000018116155 519640639 /nfs/dbraw/zinc/64/06/39/519640639.db2.gz RLXIKKSMSXZEAZ-IQGLISFBSA-N 0 0 398.462 5.200 50 30 GKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(F)c1)O2)CC(C)C ZINC000020650566 519717944 /nfs/dbraw/zinc/71/79/44/519717944.db2.gz DURWVBAUTXRSHU-JJFYIABZSA-N 0 0 397.490 5.262 50 30 GKEARN CC(C)CN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N/c1ccccc1 ZINC000100299745 519719067 /nfs/dbraw/zinc/71/90/67/519719067.db2.gz WRGOQCHLFHCCGS-HZMZRVLWSA-N 0 0 386.904 5.306 50 30 GKEARN CC(=O)Nc1sc(N=NCc2ccc(C(C)C)cc2)nc1-c1cccs1 ZINC000031906051 519754246 /nfs/dbraw/zinc/75/42/46/519754246.db2.gz PDBFIYVAZOJZMI-JAIQZWGSSA-N 0 0 384.530 5.399 50 30 GKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1 ZINC000004118237 519834203 /nfs/dbraw/zinc/83/42/03/519834203.db2.gz KSEDFMYCHKKLSB-VGOFMYFVSA-N 0 0 376.477 5.987 50 30 GKEARN CC(C)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000009532059 519834257 /nfs/dbraw/zinc/83/42/57/519834257.db2.gz NEPNFPFGQXMEPM-OSJXACKJSA-N 0 0 396.486 6.518 50 30 GKEARN CC(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000033581364 519834350 /nfs/dbraw/zinc/83/43/50/519834350.db2.gz JDDNHHNVKHGWTR-GNHCGYKESA-N 0 0 399.446 6.118 50 30 GKEARN CCCC(C)(C)[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000036354886 519882728 /nfs/dbraw/zinc/88/27/28/519882728.db2.gz DIYFSYBOKDUFNM-UROPCCTASA-N 0 0 376.457 5.533 50 30 GKEARN CCCC(C)(C)[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000036354892 519882860 /nfs/dbraw/zinc/88/28/60/519882860.db2.gz DIYFSYBOKDUFNM-YMALNPOBSA-N 0 0 376.457 5.533 50 30 GKEARN CCCNC(=O)c1ccsc1/N=C/c1cc(Cl)ccc1OCC(C)C ZINC000006399688 519906099 /nfs/dbraw/zinc/90/60/99/519906099.db2.gz LYAUPEWPXJPEKB-SSDVNMTOSA-N 0 0 378.925 5.327 50 30 GKEARN CCCCC(Nc1ccc2ccccc2c1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000004406338 519916807 /nfs/dbraw/zinc/91/68/07/519916807.db2.gz OPFKWLXTBQLVMB-UHFFFAOYSA-N 0 0 397.518 6.412 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2cc(C)ccn21 ZINC000102993317 519963544 /nfs/dbraw/zinc/96/35/44/519963544.db2.gz ZXDBWBUCJXUYFJ-UHFFFAOYSA-N 0 0 377.532 6.226 50 30 GKEARN CCCCCCCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC000102993491 519963998 /nfs/dbraw/zinc/96/39/98/519963998.db2.gz UUACVLVLPDOBNP-UHFFFAOYSA-N 0 0 375.516 6.147 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000003122766 519964067 /nfs/dbraw/zinc/96/40/67/519964067.db2.gz HTDPEZOIKHRDAB-QGZVFWFLSA-N 0 0 393.786 5.888 50 30 GKEARN CCCCCCCC(=O)Nc1c(CCc2ccccc2)nc2cc(C)ccn21 ZINC000102993293 519964092 /nfs/dbraw/zinc/96/40/92/519964092.db2.gz BUHGCGIDOFFRNP-UHFFFAOYSA-N 0 0 377.532 5.727 50 30 GKEARN CCCCCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1 ZINC000102993479 519964175 /nfs/dbraw/zinc/96/41/75/519964175.db2.gz FESYOIZIRPRGDN-UHFFFAOYSA-N 0 0 391.515 5.847 50 30 GKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=N)S1 ZINC000100783587 519970960 /nfs/dbraw/zinc/97/09/60/519970960.db2.gz LLPDYUAFQLUIRO-KBQFJHCTSA-N 0 0 393.516 5.148 50 30 GKEARN CCCCCCCCC(=O)Nc1c(CCc2ccccc2)nc2cc(C)ccn21 ZINC000102996477 519974017 /nfs/dbraw/zinc/97/40/17/519974017.db2.gz UUUJYALMEIQQDC-UHFFFAOYSA-N 0 0 391.559 6.117 50 30 GKEARN CCCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl ZINC000102996544 519974098 /nfs/dbraw/zinc/97/40/98/519974098.db2.gz XMORFGBLFXQJLZ-UHFFFAOYSA-N 0 0 389.971 6.512 50 30 GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)OCCCCCC)cc1 ZINC000098001405 519977027 /nfs/dbraw/zinc/97/70/27/519977027.db2.gz UKJJXSIYTYHEHK-UHFFFAOYSA-N 0 0 375.553 6.503 50 30 biogenic GKEARN CCCCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2 ZINC000095722867 519978407 /nfs/dbraw/zinc/97/84/07/519978407.db2.gz GFEWYNPHEBNPLX-UHFFFAOYSA-N 0 0 386.561 5.997 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)OC ZINC000100815620 519982173 /nfs/dbraw/zinc/98/21/73/519982173.db2.gz UDGQCXUVFHQKSY-UHFFFAOYSA-N 0 0 392.565 5.207 50 30 GKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(Br)cc1 ZINC000100441706 519988847 /nfs/dbraw/zinc/98/88/47/519988847.db2.gz XEMYERXOSHJJGG-UHFFFAOYSA-N 0 0 382.386 7.089 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cn1 ZINC000100285369 519992891 /nfs/dbraw/zinc/99/28/91/519992891.db2.gz FUIWPMMLSBOMSS-UHFFFAOYSA-N 0 0 395.031 7.935 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000085913232 519994504 /nfs/dbraw/zinc/99/45/04/519994504.db2.gz MSVLAXSCPVNLFM-DEOSSOPVSA-N 0 0 398.672 7.732 50 30 GKEARN CCCCCCCCCCCCCCCCCCSc1ccccc1N ZINC000100853190 519996010 /nfs/dbraw/zinc/99/60/10/519996010.db2.gz KPLREFLIZTYAJQ-UHFFFAOYSA-N 0 0 377.682 8.622 50 30 GKEARN CCCCCCCCCCCCCCCCCCSC1=CC(=O)C=CC1=O ZINC000033353829 519997443 /nfs/dbraw/zinc/99/74/43/519997443.db2.gz MYMGKBLLSOGQDG-UHFFFAOYSA-N 0 0 392.649 7.573 50 30 GKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000100438375 519997631 /nfs/dbraw/zinc/99/76/31/519997631.db2.gz CXZYITMNNKUFNK-UHFFFAOYSA-N 0 0 391.596 8.235 50 30 GKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000033354697 520009061 /nfs/dbraw/zinc/00/90/61/520009061.db2.gz RVIDLWIKMBCTSR-UHFFFAOYSA-N 0 0 380.960 5.624 50 30 GKEARN CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000100719383 520010174 /nfs/dbraw/zinc/01/01/74/520010174.db2.gz UTGSQSVMPFAJMN-UHFFFAOYSA-N 0 0 381.376 5.856 50 30 GKEARN CCCCCCCCCCCCSC(=S)S[C@](C)(C#N)CCCO ZINC000101772370 520013007 /nfs/dbraw/zinc/01/30/07/520013007.db2.gz SAFBIHFUHZPVOZ-IBGZPJMESA-N 0 0 389.696 6.713 50 30 GKEARN CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)OC ZINC000101410144 520013505 /nfs/dbraw/zinc/01/35/05/520013505.db2.gz NHWLEOYMZVCNBC-UHFFFAOYSA-N 0 0 378.669 6.610 50 30 GKEARN CCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000002060581 520017480 /nfs/dbraw/zinc/01/74/80/520017480.db2.gz HMIOFVCDQBQGIF-UHFFFAOYSA-N 0 0 378.512 6.586 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097983137 520021085 /nfs/dbraw/zinc/02/10/85/520021085.db2.gz HNGJMQIITXGAOO-UHFFFAOYSA-N 0 0 383.488 6.345 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000033353671 520021255 /nfs/dbraw/zinc/02/12/55/520021255.db2.gz RAWMXDBCGKEKJE-UHFFFAOYSA-N 0 0 379.500 6.297 50 30 biogenic GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2CCSCC2)cc1 ZINC000100033758 520021324 /nfs/dbraw/zinc/02/13/24/520021324.db2.gz HYHORASRRMYBIL-UHFFFAOYSA-N 0 0 378.582 5.787 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2CCCC[C@H]2CC)cc1 ZINC000008427389 520021674 /nfs/dbraw/zinc/02/16/74/520021674.db2.gz SGODZTPFTSTQAC-JOCHJYFZSA-N 0 0 388.596 7.003 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)NCc2cccnc2)cc1 ZINC000100025101 520023057 /nfs/dbraw/zinc/02/30/57/520023057.db2.gz FVAPFRGHMQODDO-UHFFFAOYSA-N 0 0 383.536 5.923 50 30 GKEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(Cl)cc1Cl ZINC000033355292 520023152 /nfs/dbraw/zinc/02/31/52/520023152.db2.gz YONIQZDFQBJYAU-XSFVSMFZSA-N 0 0 393.380 5.387 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 ZINC000098001313 520023808 /nfs/dbraw/zinc/02/38/08/520023808.db2.gz RAZHCVNVPIVGIT-UHFFFAOYSA-N 0 0 396.575 7.467 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2OC)cc1 ZINC000100024385 520023822 /nfs/dbraw/zinc/02/38/22/520023822.db2.gz ROEFFWGJPMIBOZ-UHFFFAOYSA-N 0 0 398.547 6.859 50 30 GKEARN CCCCCCCCCc1ccc(-c2ccc(CCCCCCC)cc2)nc1 ZINC000097998434 520031131 /nfs/dbraw/zinc/03/11/31/520031131.db2.gz HVSAUFUIVRZYGK-UHFFFAOYSA-N 0 0 379.632 8.555 50 30 GKEARN CCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000100848793 520031229 /nfs/dbraw/zinc/03/12/29/520031229.db2.gz NVCMPIMJHUMUSW-KNTRCKAVSA-N 0 0 376.544 6.966 50 30 GKEARN CCCCCCCCCc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 ZINC000100496304 520031860 /nfs/dbraw/zinc/03/18/60/520031860.db2.gz ZDMHXBXNSILCDT-UHFFFAOYSA-N 0 0 393.659 8.945 50 30 GKEARN CCCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052391 520031965 /nfs/dbraw/zinc/03/19/65/520031965.db2.gz RTQFMHKEIOUPDD-YUWQGBPXSA-N 0 0 391.559 7.817 50 30 GKEARN CCCCCCCCCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N ZINC000102909102 520032043 /nfs/dbraw/zinc/03/20/43/520032043.db2.gz IZAQDVJAULZXCY-UHFFFAOYSA-N 0 0 392.572 5.993 50 30 GKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(C)cc1C ZINC000050861906 520034907 /nfs/dbraw/zinc/03/49/07/520034907.db2.gz PUJKHOOQGRPYET-UHFFFAOYSA-N 0 0 377.532 5.733 50 30 GKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(C)c(Cl)c1 ZINC000050861911 520035654 /nfs/dbraw/zinc/03/56/54/520035654.db2.gz XGRZSIHTGZDMIN-UHFFFAOYSA-N 0 0 397.950 6.078 50 30 GKEARN CCCCCCCCOC(=O)CSc1nc2c(cc1C#N)CCCCCC2 ZINC000097949567 520039687 /nfs/dbraw/zinc/03/96/87/520039687.db2.gz MKXMMVUJBCDLKY-UHFFFAOYSA-N 0 0 388.577 5.608 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)cc1 ZINC000003064805 520042779 /nfs/dbraw/zinc/04/27/79/520042779.db2.gz WFPSSEKPHIZSBF-PYCFMQQDSA-N 0 0 383.532 6.302 50 30 GKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1 ZINC000050860247 520047718 /nfs/dbraw/zinc/04/77/18/520047718.db2.gz MTWYYOLAPKQZQU-UHFFFAOYSA-N 0 0 388.559 6.171 50 30 GKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)OC[C@@H](C)CC)cc2)cc1 ZINC000059845076 520049410 /nfs/dbraw/zinc/04/94/10/520049410.db2.gz UZGDQUWQCZLUPF-NRFANRHFSA-N 0 0 380.572 7.460 50 30 GKEARN CCCCCCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000050704984 520051387 /nfs/dbraw/zinc/05/13/87/520051387.db2.gz UYZCJMMDLYUBIX-JOCHJYFZSA-N 0 0 390.615 7.747 50 30 GKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000050861220 520051928 /nfs/dbraw/zinc/05/19/28/520051928.db2.gz NINDOMGTBBCNAR-HXUWFJFHSA-N 0 0 389.543 5.917 50 30 GKEARN CCCCCCCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000098045480 520054410 /nfs/dbraw/zinc/05/44/10/520054410.db2.gz BNINFPYTHAMWDS-OAQYLSRUSA-N 0 0 394.559 5.854 50 30 GKEARN CCCCCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21 ZINC000002081797 520055496 /nfs/dbraw/zinc/05/54/96/520055496.db2.gz YXXMZUGHWUNODC-UHFFFAOYSA-N 0 0 376.500 5.611 50 30 GKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000002062808 520061368 /nfs/dbraw/zinc/06/13/68/520061368.db2.gz JGZGDDCNHVDOTM-UHFFFAOYSA-N 0 0 393.483 5.231 50 30 GKEARN CCCCCCCOc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 ZINC000097958126 520061454 /nfs/dbraw/zinc/06/14/54/520061454.db2.gz TUTSGPHHAARZLU-OQKWZONESA-N 0 0 377.484 5.689 50 30 GKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O ZINC000002062875 520062018 /nfs/dbraw/zinc/06/20/18/520062018.db2.gz LWWJGBJNFFACHG-UHFFFAOYSA-N 0 0 393.483 5.231 50 30 GKEARN CCCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000059691130 520064837 /nfs/dbraw/zinc/06/48/37/520064837.db2.gz OQDXLUNVYVKCQK-UHFFFAOYSA-N 0 0 396.462 6.082 50 30 GKEARN CCCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000002309053 520065471 /nfs/dbraw/zinc/06/54/71/520065471.db2.gz OPHXUGYFJPJANA-UHFFFAOYSA-N 0 0 382.529 5.457 50 30 GKEARN CCCCCCCc1ccc(C(=O)N/C(=N/c2cccc(C)n2)SC)cc1 ZINC000095749395 520069183 /nfs/dbraw/zinc/06/91/83/520069183.db2.gz XPVNISRBIMZKMK-UHFFFAOYSA-N 0 0 383.561 5.683 50 30 GKEARN CCCCCCCc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000098000502 520070064 /nfs/dbraw/zinc/07/00/64/520070064.db2.gz GQJVJICTLGXGNA-UHFFFAOYSA-N 0 0 399.332 6.679 50 30 GKEARN CCCCCCCc1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000098045077 520070493 /nfs/dbraw/zinc/07/04/93/520070493.db2.gz PALHSVQJXJQMED-UHFFFAOYSA-N 0 0 375.306 6.181 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000102802393 520077583 /nfs/dbraw/zinc/07/75/83/520077583.db2.gz OSKDUTNDIKWULS-YDJIHCHBSA-N 0 0 397.902 5.342 50 30 GKEARN CC/N=C1/S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC ZINC000013470964 520208097 /nfs/dbraw/zinc/20/80/97/520208097.db2.gz FDGMHVXFEWDBLE-AHHCQKMLSA-N 0 0 392.933 5.396 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000002896289 520229273 /nfs/dbraw/zinc/22/92/73/520229273.db2.gz ZIOTUEDNRBXNQW-NRFANRHFSA-N 0 0 399.506 5.163 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Cl)c1 ZINC000101275155 520257564 /nfs/dbraw/zinc/25/75/64/520257564.db2.gz LEMJQZCQWHOECM-IBGZPJMESA-N 0 0 389.882 5.278 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1coc2ccccc2c1=O ZINC000018143737 520265499 /nfs/dbraw/zinc/26/54/99/520265499.db2.gz WTHWBKYQSVIVNY-QFIPXVFZSA-N 0 0 386.451 5.015 50 30 biogenic GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(C(F)(F)F)c1 ZINC000018115893 520266419 /nfs/dbraw/zinc/26/64/19/520266419.db2.gz MPILGQLMLLPXKN-FQEVSTJZSA-N 0 0 386.417 5.927 50 30 GKEARN CC1(C)CC(=O)C=C(/C=C/c2ccc(/C=C/C3=CC(=O)CC(C)(C)C3)s2)C1 ZINC000017118547 520272596 /nfs/dbraw/zinc/27/25/96/520272596.db2.gz PABMYDYPNAGGKV-KQQUZDAGSA-N 0 0 380.553 6.406 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000036527912 520288502 /nfs/dbraw/zinc/28/85/02/520288502.db2.gz OGVHDJVOGWECJE-IBGZPJMESA-N 0 0 383.919 6.154 50 30 GKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000005547977 520325769 /nfs/dbraw/zinc/32/57/69/520325769.db2.gz CCQCKFOIYKSHAH-XLNRJJMWSA-N 0 0 397.474 6.349 50 30 GKEARN CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c21)CCC3 ZINC000013282615 520389562 /nfs/dbraw/zinc/38/95/62/520389562.db2.gz VUVLQJMLOHRIBQ-YDZHTSKRSA-N 0 0 394.496 5.325 50 30 GKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020647464 520496950 /nfs/dbraw/zinc/49/69/50/520496950.db2.gz WEZRSBNSWOKPLX-ZHZULCJRSA-N 0 0 385.529 5.472 50 30 GKEARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 ZINC000100117601 520545362 /nfs/dbraw/zinc/54/53/62/520545362.db2.gz VGXKBFMACSIFSA-NSUNUEHASA-N 0 0 398.481 5.781 50 30 GKEARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 ZINC000100117632 520573161 /nfs/dbraw/zinc/57/31/61/520573161.db2.gz UWAZIBUHDAAKBI-OOVQCZTNSA-N 0 0 380.491 5.642 50 30 GKEARN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000004836915 520620171 /nfs/dbraw/zinc/62/01/71/520620171.db2.gz IEQXMKLSFWMELP-WYMLVPIESA-N 0 0 392.882 6.214 50 30 biogenic,in-vitro GKEARN CCOc1cc(/C=C2\N=C(SCC)SC2=O)ccc1OCc1ccccc1 ZINC000003000433 520631643 /nfs/dbraw/zinc/63/16/43/520631643.db2.gz GNSORQIXIOLDDK-ATVHPVEESA-N 0 0 399.537 5.388 50 30 GKEARN CCOc1ccc(-c2csc(C(C#N)=NNc3ccc(C)cc3C)n2)cc1 ZINC000005980462 520811262 /nfs/dbraw/zinc/81/12/62/520811262.db2.gz NTIJJVDRGMABJL-NCELDCMTSA-N 0 0 376.485 5.165 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019798121 520818119 /nfs/dbraw/zinc/81/81/19/520818119.db2.gz ONIZFNUXCGRDPT-JOCHJYFZSA-N 0 0 393.527 5.167 50 30 GKEARN CC1=CC(C)(C)N2C(=O)/C(=N\c3ccc(Oc4ccccc4)cc3)c3cccc1c32 ZINC000096610608 520852093 /nfs/dbraw/zinc/85/20/93/520852093.db2.gz QMBAPUSRXXGMLT-VYIQYICTSA-N 0 0 394.474 6.142 50 30 GKEARN CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)nc3ccccc32)c(O)c1 ZINC000004989718 520853588 /nfs/dbraw/zinc/85/35/88/520853588.db2.gz IPDNQLPBFQNKCL-MFKUBSTISA-N 0 0 398.466 5.156 50 30 GKEARN CCCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000005597116 520854470 /nfs/dbraw/zinc/85/44/70/520854470.db2.gz QWNJGVJGVLNNBP-AQTBWJFISA-N 0 0 386.904 5.411 50 30 GKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1 ZINC000006710050 520858100 /nfs/dbraw/zinc/85/81/00/520858100.db2.gz KXYSWXHOYCSAMX-FXBPSFAMSA-N 0 0 398.462 5.825 50 30 GKEARN CCOc1ccc(C(=O)/C(=C\c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000005012034 520871899 /nfs/dbraw/zinc/87/18/99/520871899.db2.gz BBPBSGWBOORDDN-LTGZKZEYSA-N 0 0 383.447 5.958 50 30 GKEARN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1 ZINC000033347270 520880100 /nfs/dbraw/zinc/88/01/00/520880100.db2.gz CBVMXZLBCNJUIC-AQTBWJFISA-N 0 0 385.920 5.078 50 30 GKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000033958467 520883316 /nfs/dbraw/zinc/88/33/16/520883316.db2.gz ZKOIYNGHGWITNY-LPYMAVHISA-N 0 0 384.936 5.756 50 30 GKEARN CC1CCC2(CC1)Nc1ccccc1NC2=NCc1ccc(C(F)(F)F)cc1 ZINC000046152919 520967417 /nfs/dbraw/zinc/96/74/17/520967417.db2.gz UVEUMAPJRPGJPE-UHFFFAOYSA-N 0 0 387.449 6.090 50 30 biogenic GKEARN CCOc1ccc(N(C)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027551573 521020783 /nfs/dbraw/zinc/02/07/83/521020783.db2.gz JBWVAADAFNASLG-UHFFFAOYSA-N 0 0 383.447 5.316 50 30 GKEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020617817 521169182 /nfs/dbraw/zinc/16/91/82/521169182.db2.gz HEIPJRLDXVSPHV-LAUBAEHRSA-N 0 0 385.548 5.485 50 30 GKEARN CCC(=O)Oc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O ZINC000012561936 521233179 /nfs/dbraw/zinc/23/31/79/521233179.db2.gz CADDMZOKBBAWIN-YBEGLDIGSA-N 0 0 389.270 5.094 50 30 GKEARN CCCCc1ccc(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 ZINC000003082873 521269264 /nfs/dbraw/zinc/26/92/64/521269264.db2.gz USNIOVARSSLOLH-HZHRSRAPSA-N 0 0 392.549 7.134 50 30 GKEARN CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3cccc(C(C)=O)c3)c2C)cc1 ZINC000000843447 521461646 /nfs/dbraw/zinc/46/16/46/521461646.db2.gz WSGNOHOZNQKQHL-MFKUBSTISA-N 0 0 388.467 5.224 50 30 GKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 ZINC000012363624 521462472 /nfs/dbraw/zinc/46/24/72/521462472.db2.gz VMWQRAYSUWBPJM-JVWAILMASA-N 0 0 397.478 5.570 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000020646671 521647542 /nfs/dbraw/zinc/64/75/42/521647542.db2.gz MURQPDSBQSNLMD-MOSHPQCFSA-N 0 0 385.891 5.284 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c[nH]c3ccccc13)O2 ZINC000020648695 521647555 /nfs/dbraw/zinc/64/75/55/521647555.db2.gz LTCZIJNKNFYTOJ-XKZIYDEJSA-N 0 0 390.483 5.112 50 30 GKEARN CCCC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1 ZINC000035653456 521657883 /nfs/dbraw/zinc/65/78/83/521657883.db2.gz CJYWZZQSSVFVSJ-HAVVHWLPSA-N 0 0 390.339 6.733 50 30 GKEARN COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(Oc3ccccc3)cc2)c1C ZINC000004785720 521748831 /nfs/dbraw/zinc/74/88/31/521748831.db2.gz NAUGZDNILZDCTP-SDNWHVSQSA-N 0 0 375.424 5.107 50 30 GKEARN CC[C@@H](C)N=C(Nc1ccc(C)cc1)C(=N[C@@H](C)CC)Nc1ccc(C)cc1 ZINC000002123153 521900339 /nfs/dbraw/zinc/90/03/39/521900339.db2.gz FMGGNWIDZMOMJX-BGYRXZFFSA-N 0 0 378.564 6.031 50 30 GKEARN COc1cc(/C=C\C(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC ZINC000097475308 521982483 /nfs/dbraw/zinc/98/24/83/521982483.db2.gz FUPRFHKOAGSTLA-PLNGDYQASA-N 0 0 385.218 5.054 50 30 GKEARN COc1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc(OC)c1OC ZINC000100033127 521998590 /nfs/dbraw/zinc/99/85/90/521998590.db2.gz CDSDLIBGZVXUJN-DPWLSMTKSA-N 0 0 375.428 5.878 50 30 GKEARN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1Cl ZINC000001098522 522002018 /nfs/dbraw/zinc/00/20/18/522002018.db2.gz ZMAQVYQQDPCLOW-BRJLIKDPSA-N 0 0 394.858 5.760 50 30 GKEARN COc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1NC(=O)c1ccco1 ZINC000102417365 522013514 /nfs/dbraw/zinc/01/35/14/522013514.db2.gz JBISONRHGNPYPI-ZVHZXABRSA-N 0 0 386.407 5.150 50 30 GKEARN COc1cc(C(=O)/C=C\C2=Cc3cc(Cl)ccc3OC2)ccc1OC(F)F ZINC000096310792 522048783 /nfs/dbraw/zinc/04/87/83/522048783.db2.gz BUXJMIVUCKJDTM-DJWKRKHSSA-N 0 0 392.785 5.165 50 30 GKEARN CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000012559570 522126949 /nfs/dbraw/zinc/12/69/49/522126949.db2.gz SVJKOIDXRFGFKY-SILNSSARSA-N 0 0 384.504 5.786 50 30 GKEARN CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000100216294 522134732 /nfs/dbraw/zinc/13/47/32/522134732.db2.gz OUERAAOWVRBUAZ-MTDXEUNCSA-N 0 0 391.474 6.302 50 30 GKEARN Clc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)o1 ZINC000252596189 534638810 /nfs/dbraw/zinc/63/88/10/534638810.db2.gz CHAALQARKBBWSV-UHFFFAOYSA-N 0 0 383.238 5.643 50 30 GKEARN COc1cc(OC)c(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1CC=C(C)C ZINC000097414778 522789065 /nfs/dbraw/zinc/78/90/65/522789065.db2.gz ICIUTEMGFDFTHB-UVTDQMKNSA-N 0 0 378.512 6.232 50 30 GKEARN COc1cc2c(cc1OC)C(Nc1cc(Cl)cc(Cl)c1)=NC(C)(C)C2 ZINC000018068320 523022463 /nfs/dbraw/zinc/02/24/63/523022463.db2.gz KQVXOWFXVPUVPG-UHFFFAOYSA-N 0 0 379.287 5.013 50 30 GKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3F)n2)cc1 ZINC000004947420 523086383 /nfs/dbraw/zinc/08/63/83/523086383.db2.gz YTQBYNCLRXCOFP-WGOQTCKBSA-N 0 0 398.441 5.404 50 30 GKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500097 523116452 /nfs/dbraw/zinc/11/64/52/523116452.db2.gz WDIPFMUQXPGENA-VDIBSLRBSA-N 0 0 386.576 5.724 50 30 biogenic GKEARN COc1ccc(/C(CCCCCC/C(=N\O)c2ccc(OC)cc2)=N/O)cc1 ZINC000013764083 523366609 /nfs/dbraw/zinc/36/66/09/523366609.db2.gz RTPYQQFQMYVZHY-MBALSZOMSA-N 0 0 384.476 5.101 50 30 GKEARN COc1ccc(CN=Nc2nc3ccc(C)cc3c(-c3ccccc3)n2)cc1OC ZINC000004766783 523448214 /nfs/dbraw/zinc/44/82/14/523448214.db2.gz AXGZFDZLZFTUDJ-MFKUBSTISA-N 0 0 398.466 5.068 50 30 GKEARN COc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1OC ZINC000027570050 523453628 /nfs/dbraw/zinc/45/36/28/523453628.db2.gz DQOVBQOBCQJLCD-YZSQISJMSA-N 0 0 397.478 5.616 50 30 GKEARN COc1ccc(/N=C(\Nc2ccc(OC)cc2)SCc2ccccn2)cc1 ZINC000004115657 523464594 /nfs/dbraw/zinc/46/45/94/523464594.db2.gz WFXJWKHVDYOUSC-UHFFFAOYSA-N 0 0 379.485 5.132 50 30 GKEARN COc1ccc(C(=O)/C(=C/c2ccc(C)cc2C)c2nc3ccccc3[nH]2)cc1 ZINC000032704580 523535032 /nfs/dbraw/zinc/53/50/32/523535032.db2.gz YJZZONUVKZSEBS-QNGOZBTKSA-N 0 0 382.463 5.612 50 30 GKEARN COc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000032699233 523535761 /nfs/dbraw/zinc/53/57/61/523535761.db2.gz ZTPSQKORCKKBIY-PGMHBOJBSA-N 0 0 397.478 5.061 50 30 GKEARN COc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000004834174 523535922 /nfs/dbraw/zinc/53/59/22/523535922.db2.gz DJFBVGQRAFFXAC-JWGURIENSA-N 0 0 397.474 6.383 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000004731361 523542139 /nfs/dbraw/zinc/54/21/39/523542139.db2.gz JSOYVOMZEIRZNT-SAPNQHFASA-N 0 0 380.447 5.444 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccccc2F)c(OC(=O)c2ccc(C)cc2)c1 ZINC000004833907 523542790 /nfs/dbraw/zinc/54/27/90/523542790.db2.gz FRHFDQKGJVHCIP-SDNWHVSQSA-N 0 0 390.410 5.258 50 30 GKEARN CN1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C\c2cccc3ccccc23)C1 ZINC000012603372 523738951 /nfs/dbraw/zinc/73/89/51/523738951.db2.gz OEDJFAJIJMSAON-DRPBVWSQSA-N 0 0 389.498 5.975 50 30 GKEARN CN(C(=O)COc1ccc(-c2ccccc2)cc1Cl)C1(C#N)CCCCC1 ZINC000014197947 523833932 /nfs/dbraw/zinc/83/39/32/523833932.db2.gz FQZKUTJUVDGNNG-UHFFFAOYSA-N 0 0 382.891 5.071 50 30 GKEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(F)cc2)cc1 ZINC000004724267 523862129 /nfs/dbraw/zinc/86/21/29/523862129.db2.gz BFFRJZNDJWIWGD-VKAVYKQESA-N 0 0 396.465 6.137 50 30 GKEARN CCc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000006830156 523875028 /nfs/dbraw/zinc/87/50/28/523875028.db2.gz INXIMHHWODQCTB-MYYYXRDXSA-N 0 0 386.886 5.381 50 30 GKEARN CCc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000005050177 523876422 /nfs/dbraw/zinc/87/64/22/523876422.db2.gz FQQFNOPYKHRRHS-ISLYRVAYSA-N 0 0 378.475 5.998 50 30 GKEARN CCc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000005059654 523877081 /nfs/dbraw/zinc/87/70/81/523877081.db2.gz OSSGWHOGIFENEL-CCEZHUSRSA-N 0 0 379.463 5.393 50 30 GKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000102960400 523878459 /nfs/dbraw/zinc/87/84/59/523878459.db2.gz PQOONWXYKHRVJH-LOSJGSFVSA-N 0 0 397.478 5.120 50 30 aggregator GKEARN COc1ccc(CC2CCC(=NOC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000004301244 523914291 /nfs/dbraw/zinc/91/42/91/523914291.db2.gz WROIKDWIDSREQN-UHFFFAOYSA-N 0 0 393.527 5.938 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1cc(Cl)ccc1Cl ZINC000032957374 524034539 /nfs/dbraw/zinc/03/45/39/524034539.db2.gz UGQRQQKVDOZEHI-ODLFYWEKSA-N 0 0 392.351 5.966 50 30 GKEARN CN1c2ccccc2S/C1=C\C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000005008922 524035964 /nfs/dbraw/zinc/03/59/64/524035964.db2.gz RURAOYWXHOKXTP-UNOMPAQXSA-N 0 0 394.323 5.805 50 30 GKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000028051675 524041343 /nfs/dbraw/zinc/04/13/43/524041343.db2.gz YMYUGJLLILEKJS-WMZHIEFXSA-N 0 0 384.479 5.504 50 30 GKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000028051669 524056687 /nfs/dbraw/zinc/05/66/87/524056687.db2.gz YMYUGJLLILEKJS-XXBNENTESA-N 0 0 384.479 5.504 50 30 GKEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647369 524115411 /nfs/dbraw/zinc/11/54/11/524115411.db2.gz BCLDHZFTYVFEKU-VUZLNAKASA-N 0 0 389.451 5.129 50 30 biogenic GKEARN Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2[N+](=O)[O-])c1 ZINC000003083262 524224646 /nfs/dbraw/zinc/22/46/46/524224646.db2.gz LDAKHQJQRVKNTR-ZVHZXABRSA-N 0 0 388.423 5.490 50 30 GKEARN COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1cccs1 ZINC000004279039 524314828 /nfs/dbraw/zinc/31/48/28/524314828.db2.gz UGXAXXBFDZLLND-ZHACJKMWSA-N 0 0 378.449 5.180 50 30 GKEARN COc1ccccc1CN=Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000004409922 524326348 /nfs/dbraw/zinc/32/63/48/524326348.db2.gz VLOAQMNSXLMNEE-BUVRLJJBSA-N 0 0 385.492 5.932 50 30 GKEARN COc1ccccc1C(=O)/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000012619761 524328110 /nfs/dbraw/zinc/32/81/10/524328110.db2.gz RIGOXTCDYMKNEQ-XMHGGMMESA-N 0 0 393.446 5.476 50 30 GKEARN COc1ccc(N2C(SC)=N/C(=N\c3ccccc3)C23CCCCC3)cc1 ZINC000012420768 524400788 /nfs/dbraw/zinc/40/07/88/524400788.db2.gz YWLOPZQSDANPGM-ATJXCDBQSA-N 0 0 379.529 5.667 50 30 GKEARN Cc1cc(C)cc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)c1 ZINC000101349935 524409433 /nfs/dbraw/zinc/40/94/33/524409433.db2.gz OYOUSCGENAZNAZ-RIYZIHGNSA-N 0 0 377.669 5.281 50 30 GKEARN Cc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)c1 ZINC000004024657 524444522 /nfs/dbraw/zinc/44/45/22/524444522.db2.gz YZJFLIBONPKNHW-AFUMVMLFSA-N 0 0 389.886 5.822 50 30 GKEARN Cc1cccc(N2C(=S)N=C(Nc3ccccc3C)[C@]23CCOC(C)(C)C3)c1 ZINC000017147272 524536202 /nfs/dbraw/zinc/53/62/02/524536202.db2.gz OFSZASWJBNBWLR-HSZRJFAPSA-N 0 0 393.556 5.467 50 30 GKEARN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000004663668 524696632 /nfs/dbraw/zinc/69/66/32/524696632.db2.gz PSMYQHLUDTUDEI-CCEZHUSRSA-N 0 0 379.843 5.949 50 30 GKEARN Cc1ccc(Cl)cc1-c1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)o1 ZINC000027472525 524718041 /nfs/dbraw/zinc/71/80/41/524718041.db2.gz XQECHNASBFPNFX-UNOMPAQXSA-N 0 0 394.883 5.800 50 30 GKEARN Cc1ccc(Cn2cccc2/C=N/NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000003048692 524772030 /nfs/dbraw/zinc/77/20/30/524772030.db2.gz NEKUFTRUUUEUHZ-ZVHZXABRSA-N 0 0 390.556 5.091 50 30 GKEARN COc1ccccc1[C@H](CC/N=C/c1ccccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000100289353 524788915 /nfs/dbraw/zinc/78/89/15/524788915.db2.gz RFBQGXKIZQGLDS-FYSVRGLLSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN C[C@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1cccc2ccccc21 ZINC000015741471 524874719 /nfs/dbraw/zinc/87/47/19/524874719.db2.gz XBSBGPKCLRCGSM-IQGVVSCOSA-N 0 0 393.490 5.599 50 30 GKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)c1 ZINC000033518485 524914323 /nfs/dbraw/zinc/91/43/23/524914323.db2.gz LYQUIFWVNPOOEW-SZXQPVLSSA-N 0 0 388.540 5.965 50 30 GKEARN Cc1ccc(NC=C2C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1Cl ZINC000100163206 524914417 /nfs/dbraw/zinc/91/44/17/524914417.db2.gz OUCIDWJSYYJAFG-RGEXLXHISA-N 0 0 388.854 5.505 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/C1=C(OCc2ccc(Cl)cc2)C=CCC1 ZINC000220978025 534819496 /nfs/dbraw/zinc/81/94/96/534819496.db2.gz OOVMEVVDFFZJGG-ZHZULCJRSA-N 0 0 391.854 5.348 50 30 GKEARN Cc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000004478013 525041451 /nfs/dbraw/zinc/04/14/51/525041451.db2.gz CVGDXCKNRYXARR-LFVJCYFKSA-N 0 0 395.470 5.113 50 30 GKEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1cccc2ccccc12 ZINC000013564512 525133184 /nfs/dbraw/zinc/13/31/84/525133184.db2.gz MPHAHWLFVVSQTN-NWWUUNPESA-N 0 0 387.508 5.002 50 30 GKEARN Cc1ccc(NC(=O)[C@H](Nc2ccc(CC#N)cc2)c2ccccc2)cc1Cl ZINC000015499120 525218159 /nfs/dbraw/zinc/21/81/59/525218159.db2.gz UXMYJPIGZXDILU-JOCHJYFZSA-N 0 0 389.886 5.506 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3cc(Cl)cc(Cl)c3)C2)cc1OC ZINC000000647530 525235237 /nfs/dbraw/zinc/23/52/37/525235237.db2.gz ISQYWQTZHYNASV-ZDUSSCGKSA-N 0 0 392.282 5.453 50 30 GKEARN COc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 ZINC000005527077 525266208 /nfs/dbraw/zinc/26/62/08/525266208.db2.gz JSQYHPONISJPOF-YMYHBSLRSA-N 0 0 377.465 5.122 50 30 GKEARN Cc1ccc(NC/N=C2/O/C(=C\c3ccc(F)cc3)C(=S)S2)cc1Cl ZINC000013517493 525267427 /nfs/dbraw/zinc/26/74/27/525267427.db2.gz BLFMLJZQFVCDIN-RJANEQCRSA-N 0 0 392.908 5.645 50 30 GKEARN Cc1cc([O-])c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647353 525316761 /nfs/dbraw/zinc/31/67/61/525316761.db2.gz BKYICNAMRARSCT-BKUYFWCQSA-N 0 0 389.451 5.049 50 30 biogenic GKEARN CSC1=N/C(=N/c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C)c1 ZINC000018116099 525342465 /nfs/dbraw/zinc/34/24/65/525342465.db2.gz CVMNVPYCYBBXNQ-YYDJUVGSSA-N 0 0 391.584 6.584 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(F)c1)C2=O ZINC000245228952 525349178 /nfs/dbraw/zinc/34/91/78/525349178.db2.gz JPKPGSNREZFIQX-ZFHLFDPRSA-N 0 0 394.530 5.712 50 30 GKEARN Cc1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)c3cccs3)cc2)c(C)c1 ZINC000009355173 525392842 /nfs/dbraw/zinc/39/28/42/525392842.db2.gz JEYMBWRNFBQXDT-DHZHZOJOSA-N 0 0 391.492 5.279 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000018106980 525398161 /nfs/dbraw/zinc/39/81/61/525398161.db2.gz JPSRTIPVKBXNMI-IQGLISFBSA-N 0 0 397.478 5.070 50 30 biogenic,in-vitro GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000018123019 525399609 /nfs/dbraw/zinc/39/96/09/525399609.db2.gz LVFBSAHSTUIEHZ-BCHFMIIMSA-N 0 0 396.490 5.675 50 30 GKEARN COc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000017043578 525402340 /nfs/dbraw/zinc/40/23/40/525402340.db2.gz GNJHHOPKYPFAKR-STYZJACHSA-N 0 0 388.492 5.594 50 30 GKEARN Cc1c(C=Nc2ccc(OC(=O)Nc3ccccc3)cc2)sc2ccccc12 ZINC000003119158 525519839 /nfs/dbraw/zinc/51/98/39/525519839.db2.gz BUQLWDISJFGYHG-BUVRLJJBSA-N 0 0 386.476 6.571 50 30 GKEARN Cc1c(/N=C/c2c3ccccc3cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000096299740 525522616 /nfs/dbraw/zinc/52/26/16/525522616.db2.gz RNXZNZGMBZVMDC-WPWMEQJKSA-N 0 0 391.474 5.541 50 30 GKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000020607819 525533296 /nfs/dbraw/zinc/53/32/96/525533296.db2.gz XDSUORUHJZFDRR-SXBZWEGTSA-N 0 0 390.498 5.953 50 30 GKEARN COc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2Cl)NC1=O ZINC000013369977 525649509 /nfs/dbraw/zinc/64/95/09/525649509.db2.gz SEUSMXXLRBWDHA-XDHOZWIPSA-N 0 0 394.883 5.393 50 30 GKEARN Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1 ZINC000024755377 525649633 /nfs/dbraw/zinc/64/96/33/525649633.db2.gz DOIWDQGOWPPKNI-KRWDZBQOSA-N 0 0 378.522 5.396 50 30 GKEARN Cc1ccc(Sc2nc(-c3ccccc3)[nH]c2C=Nc2ccc(C)c(C)c2)cc1 ZINC000100143797 525669228 /nfs/dbraw/zinc/66/92/28/525669228.db2.gz JYYFHUAVQCGTHB-WGOQTCKBSA-N 0 0 397.547 6.904 50 30 GKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccccc4Cl)o3)o2)cc1 ZINC000004668763 525742741 /nfs/dbraw/zinc/74/27/41/525742741.db2.gz MMYYYYWSJCEAQM-ZRDIBKRKSA-N 0 0 388.850 7.065 50 30 GKEARN COc1cccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1OC ZINC000012377891 525761053 /nfs/dbraw/zinc/76/10/53/525761053.db2.gz VJXXBDYCLNDVSI-XDJHFCHBSA-N 0 0 399.446 5.577 50 30 GKEARN COc1cccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)c1OC ZINC000033436353 525761179 /nfs/dbraw/zinc/76/11/79/525761179.db2.gz MMJFNEOIZCOIMJ-OBGWFSINSA-N 0 0 385.419 5.269 50 30 GKEARN COc1cccc(CN=Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1 ZINC000004409935 525773202 /nfs/dbraw/zinc/77/32/02/525773202.db2.gz IKMCTGWQTUKWBA-SSDVNMTOSA-N 0 0 377.391 5.284 50 30 GKEARN Cc1c(F)c(F)c(C(F)(F)c2c(F)c(F)c(C)c(F)c2F)c(F)c1F ZINC000097972990 525791009 /nfs/dbraw/zinc/79/10/09/525791009.db2.gz MZRVDDOBKRPLFU-UHFFFAOYSA-N 0 0 376.193 5.556 50 30 GKEARN Cc1ccc(-c2nc(C#N)c(N=NCc3ccc(-c4ccc(F)cc4)o3)o2)cc1 ZINC000006032807 525797975 /nfs/dbraw/zinc/79/79/75/525797975.db2.gz LETLRVIUMQRGPP-DHRITJCHSA-N 0 0 386.386 5.367 50 30 GKEARN Cc1ccsc1/C=C(/C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000005695486 525814865 /nfs/dbraw/zinc/81/48/65/525814865.db2.gz LFQLTGGMQJCGNX-VBKFSLOCSA-N 0 0 378.884 6.010 50 30 GKEARN COc1cccc(C/N=C/c2ccc(O)c(Cc3c(F)cccc3Cl)c2O)c1 ZINC000001392567 525847893 /nfs/dbraw/zinc/84/78/93/525847893.db2.gz HWQBLGFCVMMWNV-DHRITJCHSA-N 0 0 399.849 5.109 50 30 GKEARN Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000005617816 525857185 /nfs/dbraw/zinc/85/71/85/525857185.db2.gz KNKPFWPHMRAHPE-CWGARUPCSA-N 0 0 391.417 5.638 50 30 GKEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000004828844 525948735 /nfs/dbraw/zinc/94/87/35/525948735.db2.gz ACHQSCXUTGMTDT-AWNIVKPZSA-N 0 0 379.506 5.618 50 30 GKEARN CSc1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 ZINC000036245323 525948888 /nfs/dbraw/zinc/94/88/88/525948888.db2.gz BWSDQNJNJQPLOU-OQLLNIDSSA-N 0 0 394.443 5.319 50 30 GKEARN CSc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000033687016 525948926 /nfs/dbraw/zinc/94/89/26/525948926.db2.gz CZZVMPRTDCFACQ-CYVLTUHYSA-N 0 0 387.529 6.442 50 30 GKEARN Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)o1 ZINC000252515705 525959419 /nfs/dbraw/zinc/95/94/19/525959419.db2.gz MWZAYFFYSWKEHF-IGUMYKIMSA-N 0 0 380.528 5.474 50 30 GKEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000036245403 525961772 /nfs/dbraw/zinc/96/17/72/525961772.db2.gz IKKDEKJOTRYZJH-WMOWQXFYSA-N 0 0 384.504 5.799 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000004281039 525986487 /nfs/dbraw/zinc/98/64/87/525986487.db2.gz PLLUJKZTUUWJBV-CLOONOSVSA-N 0 0 381.479 5.370 50 30 GKEARN Cc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000004426035 526013556 /nfs/dbraw/zinc/01/35/56/526013556.db2.gz QLOZTAADQRDWQH-XLNRJJMWSA-N 0 0 395.502 6.857 50 30 GKEARN Cc1ccc(C(=O)/C=C/Sc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000019944768 526015613 /nfs/dbraw/zinc/01/56/13/526015613.db2.gz NPLQAEHXLVVYMR-CMDGGOBGSA-N 0 0 390.348 6.521 50 30 GKEARN Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000005617842 526033983 /nfs/dbraw/zinc/03/39/83/526033983.db2.gz KNKPFWPHMRAHPE-QNAGCXKLSA-N 0 0 391.417 5.638 50 30 GKEARN Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000005617850 526040524 /nfs/dbraw/zinc/04/05/24/526040524.db2.gz KNKPFWPHMRAHPE-MEGUJVMUSA-N 0 0 391.417 5.638 50 30 GKEARN Cc1ccc([C@H]2C[C@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005617853 526040834 /nfs/dbraw/zinc/04/08/34/526040834.db2.gz OJHCWLGHNUBRQP-QGDDWMGYSA-N 0 0 377.434 5.998 50 30 GKEARN Cc1cc(-c2ccccc2)sc1C(=O)Cc1nc2cc(C)ccc2oc1=O ZINC000100820645 526043048 /nfs/dbraw/zinc/04/30/48/526043048.db2.gz RFKRNXRLMPNNDI-SFQUDFHCSA-N 0 0 375.449 5.130 50 30 GKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccccc3F)c(-c3ccccc3)c2c1 ZINC000033409601 526095038 /nfs/dbraw/zinc/09/50/38/526095038.db2.gz NZFMWYRDKYGNQV-OWBHPGMISA-N 0 0 383.422 5.539 50 30 GKEARN CSc1cccc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)c1 ZINC000100833205 526106692 /nfs/dbraw/zinc/10/66/92/526106692.db2.gz GKFPJXBQTWWWPX-MDWZMJQESA-N 0 0 395.709 5.386 50 30 GKEARN C[C@@H]1CC(=NNc2ccc(Br)cc2)c2cc(Cl)ccc2S1 ZINC000013468894 526208351 /nfs/dbraw/zinc/20/83/51/526208351.db2.gz JODKQJIBGJIJGN-LFVNQLLJSA-N 0 0 381.726 5.803 50 30 GKEARN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000004600103 526240900 /nfs/dbraw/zinc/24/09/00/526240900.db2.gz XHAZHIYSJIKVDA-BUHFOSPRSA-N 0 0 379.843 5.949 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)c3)oc2c1 ZINC000100503045 526241381 /nfs/dbraw/zinc/24/13/81/526241381.db2.gz CYDABQWPEBMBQZ-DFJXIDDLSA-N 0 0 397.434 6.436 50 30 GKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3cc(C)ccc3O)cc2)o1 ZINC000004280952 526255555 /nfs/dbraw/zinc/25/55/55/526255555.db2.gz GMAWZOHTBMGLQC-CVKSISIWSA-N 0 0 385.463 6.434 50 30 GKEARN Cc1ccc(C)c(/C=N/N2C(=O)/C(=C/c3cc(C)ccc3C)SC2=S)c1 ZINC000015016598 526258167 /nfs/dbraw/zinc/25/81/67/526258167.db2.gz IOCQYJQKJCVAGS-TZRLVWCCSA-N 0 0 380.538 5.156 50 30 GKEARN O=C(CC#CCSc1nnc(-c2cccc3ccccc32)o1)c1ccccc1 ZINC000004776393 526319386 /nfs/dbraw/zinc/31/93/86/526319386.db2.gz BJQHNMQXKXOBGO-UHFFFAOYSA-N 0 0 384.460 5.258 50 30 GKEARN Fc1ccc(C(F)(F)F)cc1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000066088700 526326333 /nfs/dbraw/zinc/32/63/33/526326333.db2.gz MWASSOBZBHIHRU-GEVRCRHISA-N 0 0 385.575 6.251 50 30 GKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000100502938 526370289 /nfs/dbraw/zinc/37/02/89/526370289.db2.gz POLQHUZJDGSJPW-WSDLNYQXSA-N 0 0 393.240 5.714 50 30 GKEARN S=C(N=C(Nc1ccccc1)SCc1ccccc1)Nc1ccccc1 ZINC000002122639 526382243 /nfs/dbraw/zinc/38/22/43/526382243.db2.gz SAWCDQJOCBWGGR-UHFFFAOYSA-N 0 0 377.538 5.785 50 30 GKEARN Fc1ccccc1-c1nc2ccccc2c(N=NCc2ccccc2Cl)n1 ZINC000005031690 526406957 /nfs/dbraw/zinc/40/69/57/526406957.db2.gz WAIPPMYCZLCYIY-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 ZINC000008191480 526439234 /nfs/dbraw/zinc/43/92/34/526439234.db2.gz UQQISNAIKDOQME-UHFFFAOYSA-N 0 0 393.490 5.491 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc(Cl)cc1 ZINC000013769117 526442695 /nfs/dbraw/zinc/44/26/95/526442695.db2.gz XZXSIABIIUWQKW-JAIQZWGSSA-N 0 0 394.785 5.315 50 30 GKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccccc1 ZINC000013778964 526443006 /nfs/dbraw/zinc/44/30/06/526443006.db2.gz KSEFELCCYZRZLA-NDENLUEZSA-N 0 0 394.785 5.315 50 30 GKEARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccccc1Cl ZINC000002246809 526447755 /nfs/dbraw/zinc/44/77/55/526447755.db2.gz RDQDYSIKGLXSOQ-DEDYPNTBSA-N 0 0 392.863 5.889 50 30 GKEARN O=C(Sc1ccc(C(F)(F)F)cn1)/C(=C\c1cccs1)c1ccsc1 ZINC000003126883 526448145 /nfs/dbraw/zinc/44/81/45/526448145.db2.gz IAGOCNALKPNOAF-ZSOIEALJSA-N 0 0 397.468 6.083 50 30 GKEARN O=C(Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1)c1ccco1 ZINC000001103098 526448573 /nfs/dbraw/zinc/44/85/73/526448573.db2.gz LLGHRAIEEZZYAE-YDZHTSKRSA-N 0 0 392.798 5.558 50 30 GKEARN N#CCCn1cc(/C=C\c2nc3ccccc3s2)c(-c2ccc(F)c(F)c2)n1 ZINC000096767203 526466456 /nfs/dbraw/zinc/46/64/56/526466456.db2.gz UYQJYNOLOGWUAN-CLFYSBASSA-N 0 0 392.434 5.522 50 30 GKEARN N#CCCn1cc(C(=O)N(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1 ZINC000003355984 526467413 /nfs/dbraw/zinc/46/74/13/526467413.db2.gz ZCPCLHMYUMIBQE-UHFFFAOYSA-N 0 0 392.462 5.442 50 30 GKEARN c1ccc(N=NC2CCCC[C@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000100498910 526479510 /nfs/dbraw/zinc/47/95/10/526479510.db2.gz ZWMBAKDHUIYDKE-VGBAHMACSA-N 0 0 386.543 6.224 50 30 GKEARN c1ccc(N=NC2CCCC[C@@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000100498907 526480353 /nfs/dbraw/zinc/48/03/53/526480353.db2.gz ZWMBAKDHUIYDKE-CIVYZUNOSA-N 0 0 386.543 6.224 50 30 GKEARN N#CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000095465133 526484728 /nfs/dbraw/zinc/48/47/28/526484728.db2.gz BWWGEWCVJYNQOR-MSOLQXFVSA-N 0 0 392.890 5.195 50 30 GKEARN N#C[C@H](c1ccc(Cl)cc1Cl)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624512 526511470 /nfs/dbraw/zinc/51/14/70/526511470.db2.gz XSJFRQQBUYAFHC-NHCUHLMSSA-N 0 0 394.301 6.657 50 30 GKEARN N#Cc1c(/N=C\c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102644160 526517189 /nfs/dbraw/zinc/51/71/89/526517189.db2.gz VQOVOQANRHDVIF-YUMHPJSZSA-N 0 0 382.850 6.889 50 30 GKEARN Cc1nc(/C=C\c2ccc(C#N)cc2)sc1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096402173 526628744 /nfs/dbraw/zinc/62/87/44/526628744.db2.gz WMJMEHALUHVKRE-MIMPSMLTSA-N 0 0 381.460 5.261 50 30 GKEARN O=C1/C(=C/c2ccccc2OC(F)F)CC/C1=C\c1ccccc1OC(F)F ZINC000005859790 526942594 /nfs/dbraw/zinc/94/25/94/526942594.db2.gz YHNLUJGQHPSSDO-JOBJLJCHSA-N 0 0 392.348 5.719 50 30 GKEARN O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000012375814 526943091 /nfs/dbraw/zinc/94/30/91/526943091.db2.gz WFJWVZZIJGJNSK-WELATPIXSA-N 0 0 390.895 6.149 50 30 GKEARN O=C1/C(=C/c2ccccc2)CC[C@]12C[C@@H]1CCCC[C@@]1(O)O[C@H]2c1ccccc1 ZINC000252694618 526943163 /nfs/dbraw/zinc/94/31/63/526943163.db2.gz NKLXMIJMKFCEFM-YGUSTLGESA-N 0 0 388.507 5.460 50 30 biogenic GKEARN O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000048860911 526945798 /nfs/dbraw/zinc/94/57/98/526945798.db2.gz VKTOKRISKHJKSQ-WJGQKVTCSA-N 0 0 390.895 6.149 50 30 GKEARN O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl ZINC000100412480 526947442 /nfs/dbraw/zinc/94/74/42/526947442.db2.gz WRQCOCYBTYNQBH-LKUDQCMESA-N 0 0 399.252 5.800 50 30 GKEARN Clc1ccc(CO/N=C/c2cccnc2Sc2ccccc2)c(Cl)c1 ZINC000005485951 526949544 /nfs/dbraw/zinc/94/95/44/526949544.db2.gz LHVNIODOQFRJJR-FSJBWODESA-N 0 0 389.307 6.090 50 30 GKEARN Clc1ccc(COc2ccccc2C=NNc2nc3ccccc3[nH]2)cc1 ZINC000005614611 526951745 /nfs/dbraw/zinc/95/17/45/526951745.db2.gz DLFCPLXYCASBHU-YDZHTSKRSA-N 0 0 376.847 5.241 50 30 GKEARN O=C1C(c2ccccc2)=C(c2ccccc2)OC1(c1ccccc1)c1ccccc1 ZINC000071769322 526959081 /nfs/dbraw/zinc/95/90/81/526959081.db2.gz VUXBRXVLBALASD-UHFFFAOYSA-N 0 0 388.466 6.098 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccc3cccnc3c1)c1c(ccc3ncccc31)N2 ZINC000012375243 526967095 /nfs/dbraw/zinc/96/70/95/526967095.db2.gz PYTJVPFCXCERPP-QHCPKHFHSA-N 0 0 377.447 5.348 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1)c1ccccc1N2 ZINC000021722482 526968559 /nfs/dbraw/zinc/96/85/59/526968559.db2.gz NVCXNOQXVFZHRB-XMMPIXPASA-N 0 0 386.520 5.929 50 30 GKEARN Clc1ccc2nc(N=NCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000100402156 526968777 /nfs/dbraw/zinc/96/87/77/526968777.db2.gz HZNGFUYZSXFEDD-CFRMEGHHSA-N 0 0 398.857 5.273 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000651669 527024662 /nfs/dbraw/zinc/02/46/62/527024662.db2.gz GCPKPCZKYFAWCT-NPMXOYFQSA-N 0 0 388.492 5.433 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017043604 527031594 /nfs/dbraw/zinc/03/15/94/527031594.db2.gz POHPXYZLFBMKPC-ZGKFLROHSA-N 0 0 376.456 5.725 50 30 GKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1c[nH]c2ccccc12 ZINC000097959864 527042631 /nfs/dbraw/zinc/04/26/31/527042631.db2.gz FTRBKXVTXVYZAO-NVNXTCNLSA-N 0 0 388.279 5.366 50 30 GKEARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F ZINC000102058285 527102984 /nfs/dbraw/zinc/10/29/84/527102984.db2.gz PGLDKRLBGBPOJC-UHFFFAOYSA-N 0 0 391.592 5.130 50 30 GKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(-c2ccccc2F)o1 ZINC000004953224 527103797 /nfs/dbraw/zinc/10/37/97/527103797.db2.gz HOGLUIYXSOVKCB-PDGQHHTCSA-N 0 0 395.480 5.989 50 30 GKEARN Cn1c2ccccc2nc1/C(=N/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012381541 527114244 /nfs/dbraw/zinc/11/42/44/527114244.db2.gz ZNWIVQSTNQJXTN-NCELDCMTSA-N 0 0 379.504 5.101 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000096766958 527134473 /nfs/dbraw/zinc/13/44/73/527134473.db2.gz DONKFICKODECEJ-PFSBYRDKSA-N 0 0 381.258 6.393 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccc(OC(F)F)cc1 ZINC000097993100 527134681 /nfs/dbraw/zinc/13/46/81/527134681.db2.gz QUIMJEXSOJCBLC-SLTDHEAWSA-N 0 0 378.374 5.688 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1cccc(Cl)c1Cl ZINC000096766955 527136196 /nfs/dbraw/zinc/13/61/96/527136196.db2.gz PDGHIISZXMSUPZ-BRBKRDGESA-N 0 0 381.258 6.393 50 30 GKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1ON=C(c1cccs1)c1cccs1 ZINC000003127595 527330189 /nfs/dbraw/zinc/33/01/89/527330189.db2.gz TTWLACDQEAJZOJ-UHFFFAOYSA-N 0 0 398.387 5.568 50 30 GKEARN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)o1 ZINC000004591919 527345745 /nfs/dbraw/zinc/34/57/45/527345745.db2.gz KXLZHIKJAHZCDW-FYJGNVAPSA-N 0 0 390.424 5.424 50 30 GKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc4ccccc4c3)cc2)nc1 ZINC000004048018 527360134 /nfs/dbraw/zinc/36/01/34/527360134.db2.gz ONLDZOIMRUZXIG-AFUMVMLFSA-N 0 0 398.422 5.168 50 30 GKEARN O=[N+]([O-])c1cccc(N=NC(N=Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000005733053 527384349 /nfs/dbraw/zinc/38/43/49/527384349.db2.gz GEOFSTOPAFHMHD-FACDVXMNSA-N 0 0 390.359 5.061 50 30 GKEARN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000009264211 527393914 /nfs/dbraw/zinc/39/39/14/527393914.db2.gz SCDXXIXSYNURKT-QHCPKHFHSA-N 0 0 399.450 5.492 50 30 GKEARN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc([N+](=O)[O-])o1)CCCC2 ZINC000017080811 527398335 /nfs/dbraw/zinc/39/83/35/527398335.db2.gz ILOPWLJEJQKSQK-CIAFOILYSA-N 0 0 395.440 5.131 50 30 GKEARN O=C(Nc1c(=O)oc2ccccc2c1NCC1CCCCC1)c1cccc(F)c1 ZINC000045961070 527499606 /nfs/dbraw/zinc/49/96/06/527499606.db2.gz RDVYVGZNTXPDKL-UHFFFAOYSA-N 0 0 394.446 5.561 50 30 GKEARN Cn1nc(-c2ccccc2)c(/C=N/O)c1Sc1cccc(C(F)(F)F)c1 ZINC000100271469 527536500 /nfs/dbraw/zinc/53/65/00/527536500.db2.gz KVLFSICXPGEGJZ-SSDVNMTOSA-N 0 0 377.391 5.065 50 30 GKEARN O/N=C/C(Cl)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 ZINC000100788713 527589039 /nfs/dbraw/zinc/58/90/39/527589039.db2.gz XYGVDJDOCPBWOM-DJKKODMXSA-N 0 0 390.744 6.746 50 30 GKEARN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000051074769 527591197 /nfs/dbraw/zinc/59/11/97/527591197.db2.gz CEJMODYSVINNIY-NBVRZTHBSA-N 0 0 390.389 5.588 50 30 GKEARN O=C(/C(=C\c1ccccc1)n1ccnc1)c1ccccc1OCc1ccccc1 ZINC000004344987 527591681 /nfs/dbraw/zinc/59/16/81/527591681.db2.gz OQMSGKDULKTGDY-HAVVHWLPSA-N 0 0 380.447 5.343 50 30 GKEARN O=C(/C(=C\c1ccc2ncccc2c1)c1nc2ccccc2s1)c1ccccc1 ZINC000034704604 527591715 /nfs/dbraw/zinc/59/17/15/527591715.db2.gz UOFCHTCVGFXOSX-CAPFRKAQSA-N 0 0 392.483 6.268 50 30 GKEARN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000032100166 527598622 /nfs/dbraw/zinc/59/86/22/527598622.db2.gz ZIIQTAASHJLKPO-CCEZHUSRSA-N 0 0 394.268 6.050 50 30 GKEARN O=C(/C=C/c1cc2ccccc2o1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000004770053 527603337 /nfs/dbraw/zinc/60/33/37/527603337.db2.gz BYIKLEIEWZWPNI-VAWYXSNFSA-N 0 0 388.850 6.561 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2ccc(F)cc2)o1 ZINC000005543126 527603895 /nfs/dbraw/zinc/60/38/95/527603895.db2.gz OPNANUOFRUCQIK-PKNBQFBNSA-N 0 0 392.813 6.895 50 30 GKEARN O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(NC2=NCCCS2)cc1 ZINC000006366528 527624923 /nfs/dbraw/zinc/62/49/23/527624923.db2.gz LQOJSQJZRLZTEK-JXMROGBWSA-N 0 0 391.323 5.794 50 30 GKEARN O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(O)c1 ZINC000023165160 527626485 /nfs/dbraw/zinc/62/64/85/527626485.db2.gz UYHNHWIKUJGCFN-VAWYXSNFSA-N 0 0 377.827 5.194 50 30 GKEARN O=C(/C=C/c1ccccc1OCc1ccccc1)c1cccc(Br)c1 ZINC000005068777 527636661 /nfs/dbraw/zinc/63/66/61/527636661.db2.gz BLMIQYDYDBEQSJ-BUHFOSPRSA-N 0 0 393.280 5.924 50 30 GKEARN O=C(/C=C1/Sc2ccccc2N1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000017201439 527651924 /nfs/dbraw/zinc/65/19/24/527651924.db2.gz HGKRQOPIZBKJFX-HYARGMPZSA-N 0 0 388.448 5.431 50 30 GKEARN O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(NC2=NCCCS2)cc1 ZINC000034761592 527654746 /nfs/dbraw/zinc/65/47/46/527654746.db2.gz SQGYCGGIMZIGFI-OQFOIZHKSA-N 0 0 391.323 5.604 50 30 GKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000005738754 527659927 /nfs/dbraw/zinc/65/99/27/527659927.db2.gz YLHGWRCXBXPJBY-RAXLEYEMSA-N 0 0 385.854 5.484 50 30 GKEARN O=C(/C=C\c1sccc1Br)c1sccc1Br ZINC000035401861 527660198 /nfs/dbraw/zinc/66/01/98/527660198.db2.gz GCYGNMQIGHBWSZ-UPHRSURJSA-N 0 0 378.110 5.231 50 30 GKEARN FC(F)(F)c1ccc(Br)cc1OC(C(F)(F)F)C(F)(F)F ZINC000169725687 527681450 /nfs/dbraw/zinc/68/14/50/527681450.db2.gz PIRYORMXODMFCO-UHFFFAOYSA-N 0 0 391.027 5.340 50 30 GKEARN FC(F)(F)c1cccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c1 ZINC000000943055 527684608 /nfs/dbraw/zinc/68/46/08/527684608.db2.gz YJCATOUWQQIPEF-FSJBWODESA-N 0 0 389.402 5.286 50 30 GKEARN CCCCCCCC/C=C\CCCCCCCNC(=O)OCc1cccnc1 ZINC000096282641 528120240 /nfs/dbraw/zinc/12/02/40/528120240.db2.gz OQYCMOCYWBHSFE-KTKRTIGZSA-N 0 0 388.596 6.955 50 30 in-vitro GKEARN CCCCCCCCCCCCCCCOC(=O)CC(Cl)=C(Cl)Cl ZINC000098005214 528123853 /nfs/dbraw/zinc/12/38/53/528123853.db2.gz UGHWYRIJSUIIBZ-UHFFFAOYSA-N 0 0 399.830 7.896 50 30 GKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000097939939 528134189 /nfs/dbraw/zinc/13/41/89/528134189.db2.gz PRKDLVUJZNNHHT-KRWDZBQOSA-N 0 0 385.479 5.502 50 30 GKEARN CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000097940382 528134568 /nfs/dbraw/zinc/13/45/68/528134568.db2.gz ULISTWRQPPOKIQ-HXUWFJFHSA-N 0 0 397.559 6.565 50 30 GKEARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1C ZINC000001965038 528399117 /nfs/dbraw/zinc/39/91/17/528399117.db2.gz VNRFDSOMEFEKBD-UHFFFAOYSA-N 0 0 390.464 5.024 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccnc4)c3c2C1 ZINC000033097084 528599005 /nfs/dbraw/zinc/59/90/05/528599005.db2.gz DMGLGECMNSEBFP-WWPWHYENSA-N 0 0 379.533 5.073 50 30 GKEARN CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1OCC ZINC000096792671 528612014 /nfs/dbraw/zinc/61/20/14/528612014.db2.gz YFBWNEXTDLFVOG-VURMDHGXSA-N 0 0 390.863 5.138 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O ZINC000016693316 528627207 /nfs/dbraw/zinc/62/72/07/528627207.db2.gz RXNVRCTVYGKSJM-ZVHZXABRSA-N 0 0 388.492 6.127 50 30 GKEARN CC1(C#N)CCN(C(=O)c2ccc(-c3ccnc4cc(Cl)ccc43)cc2)CC1 ZINC000426728305 528839714 /nfs/dbraw/zinc/83/97/14/528839714.db2.gz RIKSHDATLGKBLU-UHFFFAOYSA-N 0 0 389.886 5.321 50 30 GKEARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2ncccc2C#N)c1 ZINC000426489356 528862941 /nfs/dbraw/zinc/86/29/41/528862941.db2.gz KGURGCKXEXWNFH-QFIPXVFZSA-N 0 0 384.483 5.019 50 30 GKEARN C(=N/c1ccc(Cc2ccc(/N=C/c3ccccn3)cc2)cc1)\c1ccccn1 ZINC000001045493 560180278 /nfs/dbraw/zinc/18/02/78/560180278.db2.gz OMZVNZJNZUGOJK-UOSOPFLXSA-N 0 0 376.463 5.569 50 30 in-vitro GKEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002270953 560186702 /nfs/dbraw/zinc/18/67/02/560186702.db2.gz UYKHSYATOFJBMB-INIZCTEOSA-N 0 0 388.492 5.331 50 30 biogenic,in-vitro GKEARN N#C[C@@H](c1c(Cl)cccc1Cl)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624461 570211160 /nfs/dbraw/zinc/21/11/60/570211160.db2.gz GJUKEXQFCDFTSI-RBUKOAKNSA-N 0 0 394.301 6.657 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718170 570219963 /nfs/dbraw/zinc/21/99/63/570219963.db2.gz DECVIFBAUGYMJO-SPLOXXLWSA-N 0 0 378.522 5.789 50 30 GKEARN CCOc1cccc(/C=N/c2cc(-c3nc4c(cccc4C)o3)ccc2C)c1O ZINC000000725251 570220796 /nfs/dbraw/zinc/22/07/96/570220796.db2.gz RNFQHCWBPJIYTO-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN CC(C)(C)/C(=N/C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000000726785 570221136 /nfs/dbraw/zinc/22/11/36/570221136.db2.gz YBGMXKLEWAKALJ-NJNXFGOHSA-N 0 0 389.451 5.316 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000000727769 570221448 /nfs/dbraw/zinc/22/14/48/570221448.db2.gz JFKNPXXEDRNZSM-YDZHTSKRSA-N 0 0 377.831 6.127 50 30 GKEARN CCc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000727623 570221470 /nfs/dbraw/zinc/22/14/70/570221470.db2.gz ZKJMJMWCICMWET-UHFFFAOYSA-N 0 0 378.512 5.649 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000000729492 570221596 /nfs/dbraw/zinc/22/15/96/570221596.db2.gz WCLSGIZZZLWDOK-BXKMTCNYSA-N 0 0 386.520 6.036 50 30 GKEARN CCCN1C2=C(C(=O)c3ccccc32)[C@@H](c2ccc(F)cc2)C2=C1CCCC2=O ZINC000000809903 570224437 /nfs/dbraw/zinc/22/44/37/570224437.db2.gz JCMQRYJFBKDEJP-NRFANRHFSA-N 0 0 387.454 5.250 50 30 GKEARN C/C(=N\N=c1/sc(C)c(-c2ccccc2)n1Cc1ccco1)c1ccccc1 ZINC000001466241 570232518 /nfs/dbraw/zinc/23/25/18/570232518.db2.gz MXMVABFBIVQHJH-WWSMBHJHSA-N 0 0 387.508 5.491 50 30 GKEARN CCOc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O ZINC000000975853 570232636 /nfs/dbraw/zinc/23/26/36/570232636.db2.gz OOMBROPYBDJFCQ-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN N#Cc1c(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cn2ccccc12 ZINC000048300345 570233974 /nfs/dbraw/zinc/23/39/74/570233974.db2.gz ZVHOQMFUZZDMCN-UHFFFAOYSA-N 0 0 398.513 5.219 50 30 GKEARN CCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000001014006 570235197 /nfs/dbraw/zinc/23/51/97/570235197.db2.gz ZSCAJMSZMULFPM-NJMAKWBESA-N 0 0 375.497 5.490 50 30 GKEARN CC(=NOC(=O)Nc1c(C)onc1-c1c(Cl)cccc1Cl)c1ccco1 ZINC000001042706 570237974 /nfs/dbraw/zinc/23/79/74/570237974.db2.gz GOYDYVAJKGPIDG-ZVBGSRNCSA-N 0 0 394.214 5.523 50 30 GKEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1cccc2ccccc21 ZINC000012654127 570238044 /nfs/dbraw/zinc/23/80/44/570238044.db2.gz NOYKMSAUKUFSRL-UHFFFAOYSA-N 0 0 398.466 5.418 50 30 GKEARN N#C[C@H](c1ccccc1)c1ccc(NCC(=O)Nc2ccccc2F)cc1Cl ZINC000006083917 570239624 /nfs/dbraw/zinc/23/96/24/570239624.db2.gz NNASMQRWILGZTC-GOSISDBHSA-N 0 0 393.849 5.185 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)s1 ZINC000001066414 570240146 /nfs/dbraw/zinc/24/01/46/570240146.db2.gz FOFOYQPHUBDCMX-OSPHWJPCSA-N 0 0 386.520 6.036 50 30 GKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCC)n2)cc1 ZINC000015228429 570247232 /nfs/dbraw/zinc/24/72/32/570247232.db2.gz HBWQUVNLCLXXPE-UHFFFAOYSA-N 0 0 392.446 6.096 50 30 GKEARN Cn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(Br)cc3)ccc21 ZINC000005174143 570249611 /nfs/dbraw/zinc/24/96/11/570249611.db2.gz RXIZSFFQUJQXLP-MDWZMJQESA-N 0 0 390.280 5.990 50 30 GKEARN C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000000985757 570250892 /nfs/dbraw/zinc/25/08/92/570250892.db2.gz AXRQVMHGJRFDFL-UHFFFAOYSA-N 0 0 382.554 5.205 50 30 GKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000001055987 570251319 /nfs/dbraw/zinc/25/13/19/570251319.db2.gz WKNUHMBYKZVFQN-ZROIWOOFSA-N 0 0 396.320 5.641 50 30 GKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1)CCC3 ZINC000001121845 570251448 /nfs/dbraw/zinc/25/14/48/570251448.db2.gz FEOYIPZHYVFKMA-UHFFFAOYSA-N 0 0 388.945 5.078 50 30 GKEARN C=CCn1c(SCc2c(F)cccc2Cl)nc2sc(C)c(C)c2c1=O ZINC000002264755 570252757 /nfs/dbraw/zinc/25/27/57/570252757.db2.gz OTYAXNGEUFRZGD-UHFFFAOYSA-N 0 0 394.924 5.346 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001174247 570253651 /nfs/dbraw/zinc/25/36/51/570253651.db2.gz HFGVGOYCAPGWAA-QHCPKHFHSA-N 0 0 399.450 5.453 50 30 GKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000001181925 570255451 /nfs/dbraw/zinc/25/54/51/570255451.db2.gz HDDBMPAGTLXSAW-UHFFFAOYSA-N 0 0 384.479 5.189 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 ZINC000005284312 570262996 /nfs/dbraw/zinc/26/29/96/570262996.db2.gz DRCUYOHCSHEMBA-WOJGMQOQSA-N 0 0 384.475 6.099 50 30 GKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000001458972 570263847 /nfs/dbraw/zinc/26/38/47/570263847.db2.gz JFOBHJSTTYLBTD-FYSMJZIKSA-N 0 0 386.451 5.268 50 30 GKEARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCC1)c1cccc(Cl)c1 ZINC000020533777 570265772 /nfs/dbraw/zinc/26/57/72/570265772.db2.gz MQGUATUBZGIFLL-UHFFFAOYSA-N 0 0 382.847 5.437 50 30 GKEARN Cc1nc2cc(/N=C/c3ccc([N+](=O)[O-])o3)ccc2n1-c1ccc(Cl)cc1 ZINC000004543060 570270455 /nfs/dbraw/zinc/27/04/55/570270455.db2.gz RCGUMRCHIMZRJG-SRZZPIQSSA-N 0 0 380.791 5.239 50 30 GKEARN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)Cc1ccccc1 ZINC000049595346 570270693 /nfs/dbraw/zinc/27/06/93/570270693.db2.gz XPWFVXPFZHLKHB-CYBMUJFWSA-N 0 0 387.455 5.197 50 30 GKEARN COc1ccc(CO[C@H](C[C@@H](C)C2SCCCS2)C(C)(C)C=O)cc1 ZINC000039031878 570271024 /nfs/dbraw/zinc/27/10/24/570271024.db2.gz ARGNLKAZUBPZHJ-CRAIPNDOSA-N 0 0 382.591 5.028 50 30 GKEARN COc1cc2c(cc1OC)C(Nc1ccc(Cl)cc1Cl)=NC(C)(C)C2 ZINC000049611763 570271210 /nfs/dbraw/zinc/27/12/10/570271210.db2.gz RNQLILGPQKGORB-UHFFFAOYSA-N 0 0 379.287 5.013 50 30 GKEARN COc1ccc(OC)c(-c2csc(N=NC(C)c3ccc(Cl)cc3)n2)c1 ZINC000043761301 570271789 /nfs/dbraw/zinc/27/17/89/570271789.db2.gz QSAOJMFQJHPSPQ-WSDLNYQXSA-N 0 0 387.892 5.317 50 30 GKEARN C=C[C@@H](C)C[C@@H](C)[C@H]1O[C@H](c2ccccc2)OC[C@@H]1C1SCCCS1 ZINC000043763352 570271803 /nfs/dbraw/zinc/27/18/03/570271803.db2.gz JHSPSPUXFFWHNL-SCQOQHIRSA-N 0 0 378.603 5.761 50 30 GKEARN CCCCCCCCCCCCCCCCCC(O)(CCCC)CCCC ZINC000101016547 570272431 /nfs/dbraw/zinc/27/24/31/570272431.db2.gz VMPLDNCGIMSNOZ-UHFFFAOYSA-N 0 0 382.717 9.359 50 30 GKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)cc1 ZINC000100455455 570272510 /nfs/dbraw/zinc/27/25/10/570272510.db2.gz YLUGBLWPEQPYRP-OEAKJJBVSA-N 0 0 398.378 5.513 50 30 GKEARN CC1(C)CC(=O)C([C@H](Sc2ccccc2)c2ccc3ccccc3c2)C(=O)C1 ZINC000101082276 570272554 /nfs/dbraw/zinc/27/25/54/570272554.db2.gz MLTYRMPEBQBVSF-XMMPIXPASA-N 0 0 388.532 6.874 50 30 GKEARN CC1(C)CC(=O)C([C@@H](Sc2ccccc2)c2ccc3ccccc3c2)C(=O)C1 ZINC000101082281 570272621 /nfs/dbraw/zinc/27/26/21/570272621.db2.gz MLTYRMPEBQBVSF-DEOSSOPVSA-N 0 0 388.532 6.874 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000002054238 570272815 /nfs/dbraw/zinc/27/28/15/570272815.db2.gz CNWCJNMGCCIWMY-MRXNPFEDSA-N 0 0 395.758 5.280 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 ZINC000002059787 570272877 /nfs/dbraw/zinc/27/28/77/570272877.db2.gz OLWKZDVZHRJWDX-XMMPIXPASA-N 0 0 387.910 6.803 50 30 GKEARN CSC(=CC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)SC ZINC000002151214 570276415 /nfs/dbraw/zinc/27/64/15/570276415.db2.gz JVIXFHUPPDLVRL-UHFFFAOYSA-N 0 0 385.337 6.536 50 30 GKEARN O=C(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1F ZINC000002161082 570276772 /nfs/dbraw/zinc/27/67/72/570276772.db2.gz RNTASIGLZPHYRC-UHFFFAOYSA-N 0 0 397.315 5.594 50 30 GKEARN COc1ccccc1N1CCN(/N=C/c2c3ccccc3cc3ccccc32)CC1 ZINC000002206469 570278722 /nfs/dbraw/zinc/27/87/22/570278722.db2.gz LSLGEADBFKZLBV-ZXVVBBHZSA-N 0 0 395.506 5.158 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccc(-c2ccccc2)cc1 ZINC000002215815 570279050 /nfs/dbraw/zinc/27/90/50/570279050.db2.gz RCKRDQLZLYXEKQ-OEAKJJBVSA-N 0 0 390.899 5.436 50 30 GKEARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000012274737 570280435 /nfs/dbraw/zinc/28/04/35/570280435.db2.gz BKURHWURPFMKMW-UHFFFAOYSA-N 0 0 396.899 5.973 50 30 GKEARN Oc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1 ZINC000002275692 570280970 /nfs/dbraw/zinc/28/09/70/570280970.db2.gz VKLNOWFMZZJWHF-XUIWWLCJSA-N 0 0 392.458 6.266 50 30 GKEARN Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Nc3ccccc3)nc12 ZINC000002300491 570281651 /nfs/dbraw/zinc/28/16/51/570281651.db2.gz KVCZZGPZZFIDQI-ZVHZXABRSA-N 0 0 388.858 5.151 50 30 GKEARN N#Cc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000023323828 570284522 /nfs/dbraw/zinc/28/45/22/570284522.db2.gz YJOGFXLUOYMXOS-QFIPXVFZSA-N 0 0 387.870 5.391 50 30 GKEARN Cc1ccc2nc(-c3ccc(NC=C4C(=O)c5ccccc5C4=O)cc3)sc2c1 ZINC000002380757 570285062 /nfs/dbraw/zinc/28/50/62/570285062.db2.gz BGYQRNUCPXDPFL-UHFFFAOYSA-N 0 0 396.471 5.647 50 30 GKEARN CSc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002426130 570286588 /nfs/dbraw/zinc/28/65/88/570286588.db2.gz LPEGACJKSZRARZ-HSZRJFAPSA-N 0 0 387.529 6.275 50 30 GKEARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)oc(=O)cc3C(C)C)c1 ZINC000021327373 570290329 /nfs/dbraw/zinc/29/03/29/570290329.db2.gz SOPFRBMEHMWWKE-HNNXBMFYSA-N 0 0 393.439 5.175 50 30 GKEARN N#Cc1ccc(-c2cccs2)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000000705044 570295258 /nfs/dbraw/zinc/29/52/58/570295258.db2.gz VDSDUKXJQHIHKO-UHFFFAOYSA-N 0 0 377.321 6.281 50 30 GKEARN CCC(C)(C)C1C/C(=C\c2sccc2C)C(=O)/C(=C/c2sccc2C)C1 ZINC000004826548 570295317 /nfs/dbraw/zinc/29/53/17/570295317.db2.gz YYYIPEDXZYFOJT-HBKJEHTGSA-N 0 0 384.610 7.309 50 30 GKEARN COc1cccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000004826529 570295334 /nfs/dbraw/zinc/29/53/34/570295334.db2.gz RRZHTZDKKKNUSZ-ZIOPAAQOSA-N 0 0 390.523 6.196 50 30 GKEARN Clc1ccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000004828700 570295539 /nfs/dbraw/zinc/29/55/39/570295539.db2.gz MKBYDBHGRQPQGO-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN CC1(C)CC(=O)C(C(/C=C/c2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000104158700 570298517 /nfs/dbraw/zinc/29/85/17/570298517.db2.gz XQHNHLBEZATUDG-ZHACJKMWSA-N 0 0 394.511 5.718 50 30 GKEARN S=C1N=NC(c2ccccc2Cl)N1N=CC(Cl)=Cc1ccccc1 ZINC000006192648 570299686 /nfs/dbraw/zinc/29/96/86/570299686.db2.gz NTVNUMCYFHRWSA-ULCUFOFXSA-N 0 0 375.284 5.001 50 30 GKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3Cl)n2)cc1 ZINC000004832153 570307322 /nfs/dbraw/zinc/30/73/22/570307322.db2.gz AUIGQGVTWHIDGF-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C ZINC000012934843 570308376 /nfs/dbraw/zinc/30/83/76/570308376.db2.gz YXKNFAWBAJWRHH-UHFFFAOYSA-N 0 0 391.496 5.204 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 ZINC000027584567 570308381 /nfs/dbraw/zinc/30/83/81/570308381.db2.gz VQWYWRYPBMUDIX-UHFFFAOYSA-N 0 0 378.859 5.147 50 30 GKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1C ZINC000003170318 570308694 /nfs/dbraw/zinc/30/86/94/570308694.db2.gz DWRYECMHIOCQOU-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN C=CCOc1ccc(CN(C)C(=O)c2nc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000028418142 570309685 /nfs/dbraw/zinc/30/96/85/570309685.db2.gz XCLGXJDSXFKQJM-UHFFFAOYSA-N 0 0 396.874 5.140 50 30 GKEARN CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000000751753 570313557 /nfs/dbraw/zinc/31/35/57/570313557.db2.gz JBJMSTRDPYODLV-UHFFFAOYSA-N 0 0 376.481 5.416 50 30 GKEARN N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)c1 ZINC000023453367 570324746 /nfs/dbraw/zinc/32/47/46/570324746.db2.gz GXWWQPIHQKHAFZ-UHFFFAOYSA-N 0 0 398.853 5.317 50 30 GKEARN CSc1ccc(Cl)c(C(=O)O/N=C2/c3ccccc3-c3ncccc32)c1 ZINC000002998940 570325124 /nfs/dbraw/zinc/32/51/24/570325124.db2.gz OACUBIDXWSDFTH-NMWGTECJSA-N 0 0 380.856 5.047 50 30 GKEARN FC(F)(F)c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Cl)cc3)o2)c1 ZINC000003045975 570326831 /nfs/dbraw/zinc/32/68/31/570326831.db2.gz IGHADHBJFOKEGW-YSURURNPSA-N 0 0 384.184 7.023 50 30 GKEARN O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000003126210 570329696 /nfs/dbraw/zinc/32/96/96/570329696.db2.gz LSNCFDURFPGWCM-BQYQJAHWSA-N 0 0 388.113 6.245 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccc(Br)cc1 ZINC000003138132 570330410 /nfs/dbraw/zinc/33/04/10/570330410.db2.gz BOYUWRVHTCLLJC-PGPKDTDWSA-N 0 0 391.264 5.849 50 30 GKEARN Cc1ccc2nc(-c3cc(/N=C\c4ccc([N+](=O)[O-])cc4)ccc3Cl)oc2c1 ZINC000003184533 570331528 /nfs/dbraw/zinc/33/15/28/570331528.db2.gz BUBVQTABXMNBRX-FMCGGJTJSA-N 0 0 391.814 6.115 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@H]2c1ccc2c(c1)OCO2 ZINC000000793768 570334566 /nfs/dbraw/zinc/33/45/66/570334566.db2.gz BTGXDGANSHWTGI-VWLOTQADSA-N 0 0 397.474 5.878 50 30 GKEARN Cc1cc2cc(C)c(NC(=CC(=O)c3ccccc3)c3ccccc3)cc2n1C ZINC000035325079 570336067 /nfs/dbraw/zinc/33/60/67/570336067.db2.gz QMIDTVAWQFKRES-ULJHMMPZSA-N 0 0 380.491 6.131 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1 ZINC000003664074 570349549 /nfs/dbraw/zinc/34/95/49/570349549.db2.gz SJGHGSPAVHWKBU-PYCFMQQDSA-N 0 0 376.496 6.407 50 30 GKEARN CC(C)Oc1ccc(C(C)N=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000004859823 570349833 /nfs/dbraw/zinc/34/98/33/570349833.db2.gz ACDRWBWFDIFJGK-ZVHZXABRSA-N 0 0 380.517 5.193 50 30 GKEARN N#C[C@H](c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000012342299 570350819 /nfs/dbraw/zinc/35/08/19/570350819.db2.gz TYZHIEMLQKJQDI-DHIUTWEWSA-N 0 0 382.423 5.011 50 30 GKEARN CCCOc1ccc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)cc1 ZINC000004869601 570351511 /nfs/dbraw/zinc/35/15/11/570351511.db2.gz WWANTYYPCDFSEN-CAPFRKAQSA-N 0 0 384.435 5.435 50 30 GKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2ccccc2)cc1 ZINC000004869701 570351712 /nfs/dbraw/zinc/35/17/12/570351712.db2.gz BVBNPDQKKHRDGR-OVCLIPMQSA-N 0 0 378.269 6.089 50 30 GKEARN c1ccc([C@]23c4ccccc4/C(=N\C4CCCCC4)[C@H]2N3C2CCCCC2)cc1 ZINC000004877710 570353545 /nfs/dbraw/zinc/35/35/45/570353545.db2.gz SHSOKWPHFHWYHE-UWSNNEAJSA-N 0 0 384.567 6.083 50 30 GKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1 ZINC000100353097 570354556 /nfs/dbraw/zinc/35/45/56/570354556.db2.gz ZUKJWRRRUZKGSL-BLFRMDKKSA-N 0 0 378.497 5.242 50 30 GKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccccc3F)c(-c3ccccc3)c2c1 ZINC000004032356 570355094 /nfs/dbraw/zinc/35/50/94/570355094.db2.gz NZFMWYRDKYGNQV-WYMLVPIESA-N 0 0 383.422 5.539 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000004046827 570355508 /nfs/dbraw/zinc/35/55/08/570355508.db2.gz HKSQUGXOIMEPKO-AREMUKBSSA-N 0 0 394.518 6.576 50 30 GKEARN CCCCC#C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(C)cc1 ZINC000003049337 570356406 /nfs/dbraw/zinc/35/64/06/570356406.db2.gz OJHJGXYXIWPJJB-OAQYLSRUSA-N 0 0 390.552 5.774 50 30 GKEARN C=CCc1ccccc1O[C@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21 ZINC000004889235 570356571 /nfs/dbraw/zinc/35/65/71/570356571.db2.gz GCADAPRAXPZPPA-HSZRJFAPSA-N 0 0 376.839 5.519 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O ZINC000004889304 570356613 /nfs/dbraw/zinc/35/66/13/570356613.db2.gz QLLCMZWNKQTBTK-LSIOVLHASA-N 0 0 393.556 5.328 50 30 GKEARN O=C1c2ccccc2[C@H]2S/C(=C\c3ccccc3)C(=O)c3ccccc3CN12 ZINC000004108936 570357643 /nfs/dbraw/zinc/35/76/43/570357643.db2.gz OBTIZVGWSIRFCL-OBVMJLIASA-N 0 0 383.472 5.312 50 30 GKEARN CC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000004898497 570358386 /nfs/dbraw/zinc/35/83/86/570358386.db2.gz ANHBODYUXROSCJ-PTHMFHIQSA-N 0 0 387.508 5.084 50 30 GKEARN CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899326 570358635 /nfs/dbraw/zinc/35/86/35/570358635.db2.gz AXNFSPPJHCLVRS-ARGSHCIWSA-N 0 0 387.508 5.084 50 30 GKEARN CCCCCC(/C=N/N=C/C(=C\c1ccco1)CCCCC)=C\c1ccco1 ZINC000004900975 570359990 /nfs/dbraw/zinc/35/99/90/570359990.db2.gz PQWFCXHFSZVONA-JLKPBJCMSA-N 0 0 380.532 7.557 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)o1 ZINC000004199738 570362658 /nfs/dbraw/zinc/36/26/58/570362658.db2.gz CRIDWQJLQWLKSC-BVZFJXPGSA-N 0 0 384.479 5.876 50 30 GKEARN CC(=O)[C@@]12CC(C)=C(C)C[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913462 570366598 /nfs/dbraw/zinc/36/65/98/570366598.db2.gz DWXXDCFQXAHBDL-KCHMZGSXSA-N 0 0 394.599 6.450 50 30 GKEARN Cc1nn(C)cc1/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118921969 570368064 /nfs/dbraw/zinc/36/80/64/570368064.db2.gz KVDDTNQRMJYZPQ-CIVUPNGISA-N 0 0 380.576 5.724 50 30 GKEARN CCn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118928025 570368666 /nfs/dbraw/zinc/36/86/66/570368666.db2.gz LWLNXMRZXSNPHH-MMIMDNJWSA-N 0 0 380.576 5.898 50 30 GKEARN CC(C)(C)c1cc2nc(C(F)(F)F)cc(NN=Cc3ccc(Cl)cc3)n2n1 ZINC000004362598 570371175 /nfs/dbraw/zinc/37/11/75/570371175.db2.gz ASLVPXTWRQXPMW-AUEPDCJTSA-N 0 0 395.816 5.145 50 30 GKEARN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]12 ZINC000169368073 570371500 /nfs/dbraw/zinc/37/15/00/570371500.db2.gz MECHNRXZTMCUDQ-HIOBYJOGSA-N 0 0 396.659 7.641 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3ccc(F)cc3)C12 ZINC000004386433 570372778 /nfs/dbraw/zinc/37/27/78/570372778.db2.gz XCMUYWXEEBJOJC-NPMXOYFQSA-N 0 0 399.425 5.184 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@]21C ZINC000257345425 570374662 /nfs/dbraw/zinc/37/46/62/570374662.db2.gz AKTPAJMBVLOPJG-FLVCZDKCSA-N 0 0 386.664 7.485 50 30 GKEARN Fc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000004452504 570375660 /nfs/dbraw/zinc/37/56/60/570375660.db2.gz BHFOZWKXEYWREG-OGLMXYFKSA-N 0 0 395.502 7.221 50 30 GKEARN c1ccc(-c2cnnc(N=NCc3c4ccccc4cc4ccccc43)n2)cc1 ZINC000004476776 570376785 /nfs/dbraw/zinc/37/67/85/570376785.db2.gz RSFPPCWGJBUAAU-MFKUBSTISA-N 0 0 375.435 5.291 50 30 GKEARN Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3C1=O)S2 ZINC000004529848 570382070 /nfs/dbraw/zinc/38/20/70/570382070.db2.gz NDDLLTAIKYHPOD-ISLYRVAYSA-N 0 0 393.316 6.099 50 30 aggregator GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000001738739 570382520 /nfs/dbraw/zinc/38/25/20/570382520.db2.gz FHPYPXDIJOGHIZ-BOPFTXTBSA-N 0 0 387.913 5.311 50 30 GKEARN CC(C)(C)C1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 ZINC000004547737 570383479 /nfs/dbraw/zinc/38/34/79/570383479.db2.gz KCIHVQNMKPKFKM-FEQXSOQMSA-N 0 0 382.547 7.291 50 30 GKEARN N=C(NOC(=O)Nc1ccc(Cl)cc1)c1cccc(Oc2ccccc2)c1 ZINC000004566768 570385006 /nfs/dbraw/zinc/38/50/06/570385006.db2.gz VLHHIYDUZWSHGO-UHFFFAOYSA-N 0 0 381.819 5.001 50 30 GKEARN c1ccc2c(c1)ccc1c2/C(=N/N=C2\CCCc3ccc4ccccc4c32)CCC1 ZINC000004592748 570386295 /nfs/dbraw/zinc/38/62/95/570386295.db2.gz XTBNUTYWLHXYLG-XDHTVYJESA-N 0 0 388.514 6.859 50 30 GKEARN Cc1ccccc1/N=C1\S/C(=C\c2cccs2)C(=O)N1c1ccccc1C ZINC000004611541 570387351 /nfs/dbraw/zinc/38/73/51/570387351.db2.gz YKLARJXXKNCLDY-DJOYVXLESA-N 0 0 390.533 6.174 50 30 GKEARN CC[C@@H](C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004614304 570387664 /nfs/dbraw/zinc/38/76/64/570387664.db2.gz RDXMIVZZCZAIAY-GYCJOSAFSA-N 0 0 390.527 6.086 50 30 GKEARN CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000135743892 570388301 /nfs/dbraw/zinc/38/83/01/570388301.db2.gz AGNGGBVHXRJUQV-WIYYLYMNSA-N 0 0 393.531 5.659 50 30 GKEARN CSc1ccc([C@@H]2c3c(C)nn(C(C)(C)C)c3NC3=C2C(=O)CCC3)cc1 ZINC000004979874 570388583 /nfs/dbraw/zinc/38/85/83/570388583.db2.gz GZUNOPLXDJFHMZ-LJQANCHMSA-N 0 0 381.545 5.233 50 30 GKEARN CC[C@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004629399 570388728 /nfs/dbraw/zinc/38/87/28/570388728.db2.gz BAGZFKRJSDUEGI-FYSMJZIKSA-N 0 0 390.527 6.086 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000004663372 570390497 /nfs/dbraw/zinc/39/04/97/570390497.db2.gz PKETZANZSOHIEC-FNZWTVRRSA-N 0 0 380.491 5.975 50 30 GKEARN CCCC(=O)Nc1ccc(-c2csc(N=NC(C)c3ccccc3)n2)cc1 ZINC000004995598 570392358 /nfs/dbraw/zinc/39/23/58/570392358.db2.gz CVIHOGVRNUWVKI-IWIPYMOSSA-N 0 0 378.501 5.385 50 30 GKEARN CSc1nc(Nc2ccc(C)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005010974 570395779 /nfs/dbraw/zinc/39/57/79/570395779.db2.gz YZORHLYQUXHZDZ-UHFFFAOYSA-N 0 0 380.904 5.751 50 30 GKEARN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000004740746 570401022 /nfs/dbraw/zinc/40/10/22/570401022.db2.gz ANBAJXLDDMRABB-CIAFOILYSA-N 0 0 398.260 5.515 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000004741583 570401081 /nfs/dbraw/zinc/40/10/81/570401081.db2.gz FUIDCKQORIUWKU-HJPURHCSSA-N 0 0 397.503 5.514 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000004759417 570404091 /nfs/dbraw/zinc/40/40/91/570404091.db2.gz PHFNDQTVEYYEFF-MZNJEOGPSA-N 0 0 385.442 5.200 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000004759397 570404092 /nfs/dbraw/zinc/40/40/92/570404092.db2.gz PHFNDQTVEYYEFF-BXKMTCNYSA-N 0 0 385.442 5.200 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1[N+](=O)[O-] ZINC000025076366 570405822 /nfs/dbraw/zinc/40/58/22/570405822.db2.gz ZTKHPLXUFGBEKJ-LJQANCHMSA-N 0 0 394.471 5.408 50 30 GKEARN Cc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000005052943 570406453 /nfs/dbraw/zinc/40/64/53/570406453.db2.gz ZTTYPQIGACJDHI-SDNWHVSQSA-N 0 0 399.877 6.053 50 30 GKEARN C=CCn1c(S[C@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000012988830 570407478 /nfs/dbraw/zinc/40/74/78/570407478.db2.gz DXQWQCDUHLAVML-INIZCTEOSA-N 0 0 396.343 5.432 50 30 GKEARN C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000025575277 570415968 /nfs/dbraw/zinc/41/59/68/570415968.db2.gz FYJJOOIMWWIEJC-HPNDGRJYSA-N 0 0 383.539 5.204 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004913988 570417511 /nfs/dbraw/zinc/41/75/11/570417511.db2.gz YXUCIVWFSUIMOF-NWDGAFQWSA-N 0 0 392.307 5.059 50 30 GKEARN CCCSC1=N/C(=C\c2cccc(OC)c2OCc2ccccc2)C(=O)S1 ZINC000004913033 570417534 /nfs/dbraw/zinc/41/75/34/570417534.db2.gz VYKSUZOWAXRAJK-LGMDPLHJSA-N 0 0 399.537 5.388 50 30 GKEARN Cc1c(/C=N/N=C2/CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cnn1C ZINC000121986288 570417673 /nfs/dbraw/zinc/41/76/73/570417673.db2.gz FTSQLIABFSZKPD-LVEHGZNESA-N 0 0 394.607 5.936 50 30 GKEARN Fc1c(F)c(F)c(N=NCc2c3ccccc3cc3ccccc32)c(F)c1F ZINC000004948461 570419475 /nfs/dbraw/zinc/41/94/75/570419475.db2.gz PVVDIZHZPSUJNQ-YPXUMCKCSA-N 0 0 386.323 6.135 50 30 GKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccncc1 ZINC000004973569 570420729 /nfs/dbraw/zinc/42/07/29/570420729.db2.gz BUNNUHHJZKHAIH-SSOJOUAXSA-N 0 0 397.478 5.070 50 30 GKEARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(C#N)c3)oc21 ZINC000005125663 570421427 /nfs/dbraw/zinc/42/14/27/570421427.db2.gz AKITZMMDDXHTKZ-LCUIJRPUSA-N 0 0 392.418 5.089 50 30 GKEARN COc1ccc2o/c(=N\c3cccc(C#N)c3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000005125672 570421468 /nfs/dbraw/zinc/42/14/68/570421468.db2.gz SCQZCLAZUJDBLY-LCUIJRPUSA-N 0 0 392.418 5.089 50 30 GKEARN C(#Cc1c2c(nc3c1CCc1ccccc1-3)-c1ccccc1CC2)c1ccccc1 ZINC000005128921 570422361 /nfs/dbraw/zinc/42/23/61/570422361.db2.gz VGRYJXBMAPBFIG-UHFFFAOYSA-N 0 0 383.494 6.013 50 30 GKEARN CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000001773462 570422860 /nfs/dbraw/zinc/42/28/60/570422860.db2.gz FHSNXVYYTLWBFY-OAHLLOKOSA-N 0 0 382.529 5.105 50 30 GKEARN Cc1ccc(CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000001780611 570423329 /nfs/dbraw/zinc/42/33/29/570423329.db2.gz WDECFXNIVBWUBW-ZVBGSRNCSA-N 0 0 377.300 5.068 50 30 GKEARN CCCCC1CCC(C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)CC1 ZINC000001791773 570425153 /nfs/dbraw/zinc/42/51/53/570425153.db2.gz FJGLFIRKVVSJRY-UHFFFAOYSA-N 0 0 376.522 5.040 50 30 GKEARN CC(C)(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000005055007 570427122 /nfs/dbraw/zinc/42/71/22/570427122.db2.gz YMZSPONKQSNRRU-DPIBHUQISA-N 0 0 386.579 7.502 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1cc(Cl)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000005068857 570428173 /nfs/dbraw/zinc/42/81/73/570428173.db2.gz FRDVZSMIAMUOEJ-JOCHJYFZSA-N 0 0 396.918 5.884 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000005090763 570428659 /nfs/dbraw/zinc/42/86/59/570428659.db2.gz BUBOLLTWIXGDEY-AFMDSPMNSA-N 0 0 396.490 5.680 50 30 GKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccco1)N2 ZINC000005092522 570428859 /nfs/dbraw/zinc/42/88/59/570428859.db2.gz QHMYZMIWFOFJGF-QHCPKHFHSA-N 0 0 384.435 5.096 50 30 GKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000005175447 570430690 /nfs/dbraw/zinc/43/06/90/570430690.db2.gz DUJNPJXXGCYMNT-QHCPKHFHSA-N 0 0 392.499 5.469 50 30 GKEARN CN(C)c1ccc([C@H]2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005190776 570430941 /nfs/dbraw/zinc/43/09/41/570430941.db2.gz YYNQEFYTWDKZSK-JOCHJYFZSA-N 0 0 395.934 5.628 50 30 GKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)Cc3ccccc3)cc2)cc1 ZINC000005189539 570431002 /nfs/dbraw/zinc/43/10/02/570431002.db2.gz DGFAUENQOOELLF-LICLKQGHSA-N 0 0 384.475 5.854 50 30 GKEARN Cn1cc(/C=C2\C/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000005243435 570432335 /nfs/dbraw/zinc/43/23/35/570432335.db2.gz CODQZOFVNTYLOP-VYQITIDFSA-N 0 0 395.462 5.317 50 30 GKEARN Cc1cccc(Cn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1 ZINC000001854864 570437493 /nfs/dbraw/zinc/43/74/93/570437493.db2.gz ITUSGPDKBZJQSN-AFUMVMLFSA-N 0 0 396.519 5.476 50 30 GKEARN Cc1ccccc1Cn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000001862851 570438086 /nfs/dbraw/zinc/43/80/86/570438086.db2.gz CIHDKOBFNZHWJO-AFUMVMLFSA-N 0 0 396.519 5.476 50 30 GKEARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2SCC#N)c1-c1ccccc1 ZINC000005576673 570447484 /nfs/dbraw/zinc/44/74/84/570447484.db2.gz BYCGDOQQBGVMRW-UHFFFAOYSA-N 0 0 384.508 5.220 50 30 GKEARN CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1ccccc1 ZINC000005586980 570447967 /nfs/dbraw/zinc/44/79/67/570447967.db2.gz RMXRUFASTSCXEG-NMWGTECJSA-N 0 0 383.948 6.312 50 30 GKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 ZINC000005595801 570448318 /nfs/dbraw/zinc/44/83/18/570448318.db2.gz QVYLNTRNTNXHGH-JOCHJYFZSA-N 0 0 383.447 5.086 50 30 GKEARN CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000001948875 570450895 /nfs/dbraw/zinc/45/08/95/570450895.db2.gz JXVCTNRSLMYWEV-KSXCTLEASA-N 0 0 393.914 6.606 50 30 GKEARN S=C(N=NCc1ccc(OCc2ccccc2Cl)cc1)Nc1ccccc1 ZINC000001969701 570451475 /nfs/dbraw/zinc/45/14/75/570451475.db2.gz DQEXNQZSBKWERS-OEAKJJBVSA-N 0 0 395.915 5.651 50 30 GKEARN COc1ccc(-c2csc(N=NC3c4ccccc4-c4ccccc43)n2)cc1 ZINC000006182120 570471187 /nfs/dbraw/zinc/47/11/87/570471187.db2.gz HIMRJPINLUWCEX-UHFFFAOYSA-N 0 0 383.476 5.664 50 30 GKEARN CCOc1ccc(C=C2SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC ZINC000006554492 570475696 /nfs/dbraw/zinc/47/56/96/570475696.db2.gz ZBYAIHASERWPJD-BOPFTXTBSA-N 0 0 388.876 5.479 50 30 GKEARN Cc1sc(Nc2cc(Cl)ccc2Cl)nc1C(=O)/C=C/c1ccccc1 ZINC000006500418 570482029 /nfs/dbraw/zinc/48/20/29/570482029.db2.gz XUXOPMYSWISXJU-JXMROGBWSA-N 0 0 389.307 6.398 50 30 GKEARN C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)cc1 ZINC000006626563 570485248 /nfs/dbraw/zinc/48/52/48/570485248.db2.gz GTXAGRNGKBHRGQ-CSKARUKUSA-N 0 0 380.625 5.297 50 30 GKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc21 ZINC000003115366 570486020 /nfs/dbraw/zinc/48/60/20/570486020.db2.gz CPPWEOZFYDOHOX-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000006590705 570488455 /nfs/dbraw/zinc/48/84/55/570488455.db2.gz JCUIAQJDSSDLEN-UHFFFAOYSA-N 0 0 399.519 5.562 50 30 GKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000006720406 570490309 /nfs/dbraw/zinc/49/03/09/570490309.db2.gz CNUZLGKGRBBDMD-DEOSSOPVSA-N 0 0 390.483 5.002 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 ZINC000005176832 570493857 /nfs/dbraw/zinc/49/38/57/570493857.db2.gz JKVGAGGIGAIPPQ-BKUYFWCQSA-N 0 0 388.419 5.413 50 30 GKEARN COc1cc(Cl)c(C)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000006824392 570495803 /nfs/dbraw/zinc/49/58/03/570495803.db2.gz PYYHHYKFCQTZFV-UHFFFAOYSA-N 0 0 375.855 5.834 50 30 GKEARN Cc1c(C(=O)/C=C\c2ccc(COc3cc(Cl)ccc3Cl)o2)cnn1C ZINC000030851949 570498571 /nfs/dbraw/zinc/49/85/71/570498571.db2.gz YFCOLMDMLSIGEN-VURMDHGXSA-N 0 0 391.254 5.103 50 30 GKEARN Fc1c(F)c(F)c(N=NCc2ccc(-c3cccc(Cl)c3)o2)c(F)c1F ZINC000006926032 570498982 /nfs/dbraw/zinc/49/89/82/570498982.db2.gz MRADUJADSBJLCB-HCBMXOAHSA-N 0 0 386.707 5.742 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000005068855 570499313 /nfs/dbraw/zinc/49/93/13/570499313.db2.gz OEELTETXDWEANT-HSZRJFAPSA-N 0 0 398.462 5.949 50 30 GKEARN COC(=O)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000003094758 570503001 /nfs/dbraw/zinc/50/30/01/570503001.db2.gz OLNPYWRMYATVJY-KOEQRZSOSA-N 0 0 381.435 5.077 50 30 GKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000005201260 570504083 /nfs/dbraw/zinc/50/40/83/570504083.db2.gz YDIRWLDWEKFXGL-LDADJPATSA-N 0 0 380.856 5.492 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccnc4)c3c2C1 ZINC000005205193 570507316 /nfs/dbraw/zinc/50/73/16/570507316.db2.gz DMGLGECMNSEBFP-JNXALSOLSA-N 0 0 379.533 5.073 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 ZINC000005214615 570512499 /nfs/dbraw/zinc/51/24/99/570512499.db2.gz BCGNBWAHJLZDRW-PKNBQFBNSA-N 0 0 387.660 6.259 50 30 GKEARN O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2)sc2c1CCCC2 ZINC000002743981 570513133 /nfs/dbraw/zinc/51/31/33/570513133.db2.gz DJOXYESFCURJSU-ZVHZXABRSA-N 0 0 394.927 6.283 50 30 GKEARN C=CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669548 570514680 /nfs/dbraw/zinc/51/46/80/570514680.db2.gz DRUQRAZNYVTMKY-UHFFFAOYSA-N 0 0 393.462 5.370 50 30 GKEARN C=CCNC(=O)c1cc(-c2ccc(CC)cc2)nc2ccc(Br)cc21 ZINC000002773912 570515387 /nfs/dbraw/zinc/51/53/87/570515387.db2.gz UADCYSAIXLRIQS-UHFFFAOYSA-N 0 0 395.300 5.143 50 30 GKEARN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Br ZINC000002810931 570519213 /nfs/dbraw/zinc/51/92/13/570519213.db2.gz BKBYOLXWTWTRLT-OEAKJJBVSA-N 0 0 380.285 6.087 50 30 GKEARN CCCC(C)(C)[C@@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000006669915 570527973 /nfs/dbraw/zinc/52/79/73/570527973.db2.gz ZFJMCICFPLOLLQ-DFNBJUKJSA-N 0 0 376.457 5.533 50 30 GKEARN CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 ZINC000033861467 570529728 /nfs/dbraw/zinc/52/97/28/570529728.db2.gz TYCUSKFOGZNIBO-UHFFFAOYSA-N 0 0 394.552 6.442 50 30 in-vivo GKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000003032472 570530183 /nfs/dbraw/zinc/53/01/83/570530183.db2.gz YGHPZUIWVOCSCQ-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)O[C@@H](C)CCC)cc2)cc1 ZINC000008383599 570530611 /nfs/dbraw/zinc/53/06/11/570530611.db2.gz ZEIHIVGTDQDRRP-NRFANRHFSA-N 0 0 396.571 7.438 50 30 GKEARN CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000008427295 570531558 /nfs/dbraw/zinc/53/15/58/570531558.db2.gz TXARVQHFADSRPS-OFNKIYASSA-N 0 0 392.543 6.264 50 30 GKEARN CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000008427297 570531602 /nfs/dbraw/zinc/53/16/02/570531602.db2.gz TXARVQHFADSRPS-NFBKMPQASA-N 0 0 392.543 6.264 50 30 GKEARN CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000008427298 570531656 /nfs/dbraw/zinc/53/16/56/570531656.db2.gz TXARVQHFADSRPS-NZQKXSOJSA-N 0 0 392.543 6.264 50 30 GKEARN Cc1nn2c(c1-c1ccccc1)N=C1CCCC(=O)C1[C@H]2c1ccc(Cl)cc1 ZINC000008559371 570534528 /nfs/dbraw/zinc/53/45/28/570534528.db2.gz HMFHATXBTNGIKY-JOCHJYFZSA-N 0 0 389.886 5.534 50 30 GKEARN COc1cc(NC(=S)Nc2cccc(Cl)c2Cl)c(OC)cc1Cl ZINC000008682654 570536896 /nfs/dbraw/zinc/53/68/96/570536896.db2.gz PBEOUVYZLMDXFY-UHFFFAOYSA-N 0 0 391.707 5.693 50 30 GKEARN CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000006358028 570541958 /nfs/dbraw/zinc/54/19/58/570541958.db2.gz ANHBODYUXROSCJ-LSIOVLHASA-N 0 0 387.508 5.084 50 30 GKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)C1CCCC1 ZINC000036107096 570542419 /nfs/dbraw/zinc/54/24/19/570542419.db2.gz QOJYJDOCDCCOIO-UHFFFAOYSA-N 0 0 384.545 5.044 50 30 GKEARN C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000040047126 570543031 /nfs/dbraw/zinc/54/30/31/570543031.db2.gz GWQCNVCPGIHLPV-GHRIWEEISA-N 0 0 397.887 5.092 50 30 GKEARN CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000009009405 570546340 /nfs/dbraw/zinc/54/63/40/570546340.db2.gz GOUCABWGZLQPBR-QHCPKHFHSA-N 0 0 376.500 5.332 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(F)c1F ZINC000006720215 570548549 /nfs/dbraw/zinc/54/85/49/570548549.db2.gz ZOVAFENKFZDNII-DEOSSOPVSA-N 0 0 389.445 6.428 50 30 GKEARN Cc1ccccc1N=C1S[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000097601960 570554563 /nfs/dbraw/zinc/55/45/63/570554563.db2.gz APVRCLTWNMVBFB-LBPRGKRZSA-N 0 0 394.327 5.959 50 30 GKEARN Cc1ccccc1N=C1S[C@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000097601961 570554630 /nfs/dbraw/zinc/55/46/30/570554630.db2.gz APVRCLTWNMVBFB-GFCCVEGCSA-N 0 0 394.327 5.959 50 30 GKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1 ZINC000003072533 570555513 /nfs/dbraw/zinc/55/55/13/570555513.db2.gz FFMGISTZXOUHSC-LSHDLFTRSA-N 0 0 389.238 6.529 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccs1)c1c([nH]nc1-c1ccc(Cl)cc1)N2 ZINC000006733072 570557402 /nfs/dbraw/zinc/55/74/02/570557402.db2.gz LQSIRMNCUPPIBK-QGZVFWFLSA-N 0 0 381.888 5.356 50 30 GKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC(C)C)n2)cc1 ZINC000004321395 570558420 /nfs/dbraw/zinc/55/84/20/570558420.db2.gz PYDCXROZLBYZLO-UHFFFAOYSA-N 0 0 378.928 6.750 50 30 GKEARN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccccc1 ZINC000005376273 570569344 /nfs/dbraw/zinc/56/93/44/570569344.db2.gz DZUFRWUTSHXDQG-ZSOIEALJSA-N 0 0 382.794 5.250 50 30 GKEARN N#Cc1cnn2c(NC3CCCCCC3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000006768425 570578735 /nfs/dbraw/zinc/57/87/35/570578735.db2.gz YXQNUDMREAWYRP-UHFFFAOYSA-N 0 0 398.308 5.098 50 30 GKEARN CC(C)Oc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000006768734 570579098 /nfs/dbraw/zinc/57/90/98/570579098.db2.gz XPAKJOBFCBLHEQ-RZQQEMMASA-N 0 0 391.519 5.225 50 30 GKEARN Cc1cc(C)c(C#N)c(SC[C@]2(O)CCCC[C@@H]2SCc2ccccc2)n1 ZINC000005394261 570584750 /nfs/dbraw/zinc/58/47/50/570584750.db2.gz UBMTXCPNVOHFHJ-RBBKRZOGSA-N 0 0 398.597 5.269 50 30 GKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006782425 570589528 /nfs/dbraw/zinc/58/95/28/570589528.db2.gz MASVZROQIZUYIM-HSZRJFAPSA-N 0 0 383.491 6.049 50 30 GKEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000006783940 570589929 /nfs/dbraw/zinc/58/99/29/570589929.db2.gz DSZWNPHMCXMSNI-UHFFFAOYSA-N 0 0 399.490 6.041 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000003166607 570595642 /nfs/dbraw/zinc/59/56/42/570595642.db2.gz MXBWJMAYHJKUEK-UHFFFAOYSA-N 0 0 379.529 6.003 50 30 GKEARN Ic1ccc(N=C2c3ccccc3-c3ccccc32)cc1 ZINC000003170209 570596010 /nfs/dbraw/zinc/59/60/10/570596010.db2.gz SNJZNPTUNGMSDG-UHFFFAOYSA-N 0 0 381.216 5.441 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC(C)C)c1Cc1ccccc1Cl ZINC000005454148 570598172 /nfs/dbraw/zinc/59/81/72/570598172.db2.gz RZRZEHPZMMDCMG-UHFFFAOYSA-N 0 0 388.902 5.732 50 30 GKEARN CC1(C)CC(=O)C=C(/C=C\c2ccc(/C=C\C3=CC(=O)CC(C)(C)C3)s2)C1 ZINC000005464763 570602375 /nfs/dbraw/zinc/60/23/75/570602375.db2.gz PABMYDYPNAGGKV-SFECMWDFSA-N 0 0 380.553 6.406 50 30 GKEARN C=CCn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 ZINC000003319557 570603298 /nfs/dbraw/zinc/60/32/98/570603298.db2.gz ABZMGYWKWVKWRZ-UHFFFAOYSA-N 0 0 383.520 6.013 50 30 GKEARN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCCc1ccccc1 ZINC000032999851 570616855 /nfs/dbraw/zinc/61/68/55/570616855.db2.gz VOKINSSVTNWFMN-UHFFFAOYSA-N 0 0 385.423 5.040 50 30 GKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccccc3)o2)o1 ZINC000032999857 570617416 /nfs/dbraw/zinc/61/74/16/570617416.db2.gz WTRSGLPZFSACOG-UHFFFAOYSA-N 0 0 385.423 5.306 50 30 GKEARN COc1ccc(C2=C(Oc3cc(C)ccc3Cl)c3ccccc3C2=O)cc1 ZINC000006824034 570624115 /nfs/dbraw/zinc/62/41/15/570624115.db2.gz VQMDAFSKZKSDJY-UHFFFAOYSA-N 0 0 376.839 5.801 50 30 GKEARN N#Cc1ccc(COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000005517359 570624377 /nfs/dbraw/zinc/62/43/77/570624377.db2.gz RLYBMHOLANLZKU-UHFFFAOYSA-N 0 0 398.849 5.784 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(F)c(Cl)c1 ZINC000225848068 570626067 /nfs/dbraw/zinc/62/60/67/570626067.db2.gz UVURBEPZXDBOTM-UWJYYQICSA-N 0 0 386.850 5.107 50 30 GKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3Oc3ccccc3)cc2)cc1 ZINC000006829610 570628259 /nfs/dbraw/zinc/62/82/59/570628259.db2.gz ZWSRSYAHBZLGMH-UHFFFAOYSA-N 0 0 391.426 6.237 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(O)cc1 ZINC000004598899 570631569 /nfs/dbraw/zinc/63/15/69/570631569.db2.gz BIQXVJNXYOMZEJ-UFFVCSGVSA-N 0 0 378.284 5.659 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000004599204 570631689 /nfs/dbraw/zinc/63/16/89/570631689.db2.gz DLSDVBDTSXOKCK-MFKUBSTISA-N 0 0 380.472 6.573 50 30 GKEARN CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(Cc3ccccc3)c2CO1 ZINC000013510302 570633160 /nfs/dbraw/zinc/63/31/60/570633160.db2.gz BYQIYAASSQOWRQ-UHFFFAOYSA-N 0 0 375.516 5.140 50 30 GKEARN CC(C)c1cc(Oc2cccc(F)c2)nc(SCc2cccc(C#N)c2)n1 ZINC000036349821 570633382 /nfs/dbraw/zinc/63/33/82/570633382.db2.gz CVVMIZQJVVSTIY-UHFFFAOYSA-N 0 0 379.460 5.695 50 30 GKEARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3ccccc3C#N)n2)c1 ZINC000036349829 570633474 /nfs/dbraw/zinc/63/34/74/570633474.db2.gz ZYZBQZKBESULEO-UHFFFAOYSA-N 0 0 375.497 5.865 50 30 GKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 ZINC000005556997 570640151 /nfs/dbraw/zinc/64/01/51/570640151.db2.gz TULCYVAJAPKCCK-PDGQHHTCSA-N 0 0 380.856 5.492 50 30 GKEARN C[C@H](C#N)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1 ZINC000006839769 570641404 /nfs/dbraw/zinc/64/14/04/570641404.db2.gz QGADZCBUVUMSJM-GFCCVEGCSA-N 0 0 392.871 5.609 50 30 GKEARN CC(C)(C)SCCN=C(Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000012339252 570645234 /nfs/dbraw/zinc/64/52/34/570645234.db2.gz XOUWRZUNLYMRNX-UHFFFAOYSA-N 0 0 381.372 6.193 50 30 GKEARN CC(C)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000012348183 570645674 /nfs/dbraw/zinc/64/56/74/570645674.db2.gz NDFSHBDIIVSQGX-NRFANRHFSA-N 0 0 399.494 5.266 50 30 GKEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000006844123 570645972 /nfs/dbraw/zinc/64/59/72/570645972.db2.gz PATPFLYOVSMXNF-MRXNPFEDSA-N 0 0 396.556 5.405 50 30 GKEARN CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@H]1c1ccncc1 ZINC000013543274 570654752 /nfs/dbraw/zinc/65/47/52/570654752.db2.gz NNDPKTKIDYCHIA-JOCHJYFZSA-N 0 0 390.556 5.030 50 30 GKEARN N#CCSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N ZINC000004620215 570675666 /nfs/dbraw/zinc/67/56/66/570675666.db2.gz JGBUCCYXKPIQSV-UHFFFAOYSA-N 0 0 377.435 5.056 50 30 GKEARN CCCCc1nc(N[C@H](C)Cc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 ZINC000013763436 570675670 /nfs/dbraw/zinc/67/56/70/570675670.db2.gz OMNVFEYZWVJZJC-QGZVFWFLSA-N 0 0 393.600 5.907 50 30 GKEARN CN(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000012524181 570675970 /nfs/dbraw/zinc/67/59/70/570675970.db2.gz NUVKWJHNZFGASG-JSAVKQRWSA-N 0 0 383.438 5.574 50 30 GKEARN O=S(=O)(N=C(Nc1cccc2ccccc21)c1ccccc1)c1cccs1 ZINC000012524693 570676010 /nfs/dbraw/zinc/67/60/10/570676010.db2.gz JCCIRKQRLRFNBE-UHFFFAOYSA-N 0 0 392.505 5.149 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[S@](C)=O)n2)cc1 ZINC000005659259 570680470 /nfs/dbraw/zinc/68/04/70/570680470.db2.gz YWLHYEHKSWFXJM-AREMUKBSSA-N 0 0 378.522 5.024 50 30 GKEARN CN(Cc1cccc(C#N)c1)C(=O)CSC(c1ccccc1)c1ccccc1 ZINC000036397922 570682537 /nfs/dbraw/zinc/68/25/37/570682537.db2.gz FOPKCSBHSNPPGW-UHFFFAOYSA-N 0 0 386.520 5.039 50 30 GKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(C)cc3)=NC2=O)c2ccccc21 ZINC000005784105 570689815 /nfs/dbraw/zinc/68/98/15/570689815.db2.gz FYIPNABTPRWGLB-KGENOOAVSA-N 0 0 387.508 5.527 50 30 GKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000005787368 570689940 /nfs/dbraw/zinc/68/99/40/570689940.db2.gz OIVKUSWMDOLWGJ-INIZCTEOSA-N 0 0 395.673 5.158 50 30 GKEARN Cc1ccc(-n2c(SCc3ccccc3C#N)nnc2C2CCCCC2)cc1 ZINC000004357214 570696923 /nfs/dbraw/zinc/69/69/23/570696923.db2.gz GIZPUJPEUAAHNR-UHFFFAOYSA-N 0 0 388.540 5.787 50 30 GKEARN CCOc1c(Br)cc(/C=C2\Sc3ccccc3C2=O)cc1OC ZINC000001196380 570713817 /nfs/dbraw/zinc/71/38/17/570713817.db2.gz XBPQTIANOOMYIL-YBEGLDIGSA-N 0 0 391.286 5.186 50 30 GKEARN CCOc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 ZINC000058196752 570718412 /nfs/dbraw/zinc/71/84/12/570718412.db2.gz HAYATCQVBMLDPX-ISLYRVAYSA-N 0 0 393.486 6.505 50 30 GKEARN Cc1cc(Cl)ccc1N=CN(C)SN(C)C=Nc1ccc(Cl)cc1C ZINC000257358521 570720110 /nfs/dbraw/zinc/72/01/10/570720110.db2.gz UYJZGLGFNRHHFM-UHFFFAOYSA-N 0 0 395.359 6.057 50 30 GKEARN N#Cc1c(S[C@@H]2CCCC[C@H]2O)nc(-c2cccs2)cc1-c1ccccc1 ZINC000005660630 570722356 /nfs/dbraw/zinc/72/23/56/570722356.db2.gz BWDFQWURYMOIMX-TZIWHRDSSA-N 0 0 392.549 5.744 50 30 GKEARN N#Cc1c(S[C@@H]2CCCC[C@@H]2O)nc(-c2cccs2)cc1-c1ccccc1 ZINC000005660627 570722590 /nfs/dbraw/zinc/72/25/90/570722590.db2.gz BWDFQWURYMOIMX-PZJWPPBQSA-N 0 0 392.549 5.744 50 30 GKEARN CC(C)c1ccc(/C=C\C(=O)c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000012856572 570724823 /nfs/dbraw/zinc/72/48/23/570724823.db2.gz ZWOITPSLJHNNDZ-OMYAATJGSA-N 0 0 396.486 6.325 50 30 GKEARN CSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 ZINC000006996097 570733029 /nfs/dbraw/zinc/73/30/29/570733029.db2.gz GFRPESRTZRMERG-UHFFFAOYSA-N 0 0 386.520 5.800 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1 ZINC000000947110 570734627 /nfs/dbraw/zinc/73/46/27/570734627.db2.gz XPCACXVMMSBFDW-IBGZPJMESA-N 0 0 394.471 5.408 50 30 GKEARN C=CCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003135090 570738851 /nfs/dbraw/zinc/73/88/51/570738851.db2.gz ZFFMVHWUOLXPPV-UHFFFAOYSA-N 0 0 382.532 6.695 50 30 GKEARN O=C(c1ccccc1Cl)n1ccc(-c2ccc(C#Cc3ccccc3)s2)n1 ZINC000003134105 570740749 /nfs/dbraw/zinc/74/07/49/570740749.db2.gz XDCWIBDINCDMMO-UHFFFAOYSA-N 0 0 388.879 5.353 50 30 GKEARN CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccccc21 ZINC000060272923 570740939 /nfs/dbraw/zinc/74/09/39/570740939.db2.gz RXACYPFGPNTUNV-UHFFFAOYSA-N 0 0 390.655 9.454 50 30 GKEARN Cc1c(C#N)c(NC(=O)c2cc(Cl)ccc2Cl)sc1C(=O)OC(C)C ZINC000000995677 570742428 /nfs/dbraw/zinc/74/24/28/570742428.db2.gz SEROFXUJLNDFJJ-UHFFFAOYSA-N 0 0 397.283 5.053 50 30 GKEARN COc1ccc([C@H](CC#N)[C@H](C#N)c2c(Cl)cccc2Cl)cc1OC ZINC000000984247 570743398 /nfs/dbraw/zinc/74/33/98/570743398.db2.gz VTYWIXUOOKUJDC-KBPBESRZSA-N 0 0 375.255 5.315 50 30 GKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000996455 570744319 /nfs/dbraw/zinc/74/43/19/570744319.db2.gz IEYTVLZRFYNCEB-UHFFFAOYSA-N 0 0 397.887 5.368 50 30 GKEARN C=CCn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000001008710 570745579 /nfs/dbraw/zinc/74/55/79/570745579.db2.gz GMXFCLIHNUABLO-NDENLUEZSA-N 0 0 392.455 5.203 50 30 GKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004414626 570749881 /nfs/dbraw/zinc/74/98/81/570749881.db2.gz ZHGUJCUOGIFDCD-XQNSMLJCSA-N 0 0 397.301 5.221 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccsc1 ZINC000001079626 570750816 /nfs/dbraw/zinc/75/08/16/570750816.db2.gz BZHFHROMCYTTOB-CQSZACIVSA-N 0 0 387.451 5.190 50 30 GKEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000025465636 570755097 /nfs/dbraw/zinc/75/50/97/570755097.db2.gz GKLDMWALTBKUMH-UHFFFAOYSA-N 0 0 379.419 5.074 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cccc5ccccc45)cc3)sc2c1 ZINC000003152306 570755118 /nfs/dbraw/zinc/75/51/18/570755118.db2.gz XJMAFEINIXCEEC-WGOQTCKBSA-N 0 0 378.500 7.176 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000001156758 570757800 /nfs/dbraw/zinc/75/78/00/570757800.db2.gz BGBQHQOOLJXKNX-UHFFFAOYSA-N 0 0 391.521 5.297 50 30 GKEARN C[C@H]1Oc2ccccc2C=C1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000013617348 570762851 /nfs/dbraw/zinc/76/28/51/570762851.db2.gz PFVKCNKZZNRPFR-GFXBCDTMSA-N 0 0 393.442 5.959 50 30 GKEARN CC(C)Oc1ccc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc1 ZINC000013654800 570767191 /nfs/dbraw/zinc/76/71/91/570767191.db2.gz SASMSTAYJZOMLJ-PHFAQUBZSA-N 0 0 399.446 6.188 50 30 GKEARN FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C/c2ccccc2Cl)c1 ZINC000013658914 570767896 /nfs/dbraw/zinc/76/78/96/570767896.db2.gz YHQPEHQBAIXYKM-ODCIPOBUSA-N 0 0 392.233 5.333 50 30 GKEARN Cc1c2c(nc(S[C@H](C)C(=O)Nc3ccc4ccccc4c3)c1C#N)CCC2 ZINC000032724162 570769135 /nfs/dbraw/zinc/76/91/35/570769135.db2.gz AHZMGVSTJXRGPS-OAHLLOKOSA-N 0 0 387.508 5.023 50 30 GKEARN FC(F)(F)c1c(Br)cccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725662 570784802 /nfs/dbraw/zinc/78/48/02/570784802.db2.gz JNSFLGNRCJNMMG-UHFFFAOYSA-N 0 0 391.027 5.340 50 30 GKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004475661 570794305 /nfs/dbraw/zinc/79/43/05/570794305.db2.gz ZKOIYNGHGWITNY-UHFFFAOYSA-N 0 0 384.936 5.756 50 30 GKEARN C=CCNc1cc(CSC)nc(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000004013263 570799937 /nfs/dbraw/zinc/79/99/37/570799937.db2.gz NURFKVOOWCTZIF-UHFFFAOYSA-N 0 0 386.373 5.537 50 30 GKEARN CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1C ZINC000005905617 570803072 /nfs/dbraw/zinc/80/30/72/570803072.db2.gz WIQUUXWEMMSTAY-WOJGMQOQSA-N 0 0 386.904 5.247 50 30 GKEARN C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nnc1C1CCCCC1 ZINC000005936843 570805364 /nfs/dbraw/zinc/80/53/64/570805364.db2.gz HQVQNVDHPIKVBD-UHFFFAOYSA-N 0 0 394.544 5.277 50 30 GKEARN N#Cc1ccc(COC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 ZINC000005936178 570805825 /nfs/dbraw/zinc/80/58/25/570805825.db2.gz HYFVTFNIQYEXEU-UHFFFAOYSA-N 0 0 383.403 5.240 50 30 GKEARN COc1ccc(C2=CC(=C3C(=O)c4ccccc4C3=O)c3cc(C)ccc3O2)cc1 ZINC000005937324 570806058 /nfs/dbraw/zinc/80/60/58/570806058.db2.gz VMNWDMPAYDUBFE-UHFFFAOYSA-N 0 0 394.426 5.270 50 30 GKEARN Cc1ccsc1[C@H]1c2c(C)nn(-c3ccc(C)cc3)c2NC2=C1C(=O)CCC2 ZINC000018196668 570808422 /nfs/dbraw/zinc/80/84/22/570808422.db2.gz XPNOICFTJWRGGX-NRFANRHFSA-N 0 0 389.524 5.424 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(C)ccc1O)C1=C(CCCC1=O)N2 ZINC000018196976 570808971 /nfs/dbraw/zinc/80/89/71/570808971.db2.gz BBQHCXWTJGTVHE-QHCPKHFHSA-N 0 0 399.494 5.068 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@H](C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197818 570809470 /nfs/dbraw/zinc/80/94/70/570809470.db2.gz MMUZTYCZLMLMFX-DZGCQCFKSA-N 0 0 375.497 5.172 50 30 GKEARN Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197794 570809554 /nfs/dbraw/zinc/80/95/54/570809554.db2.gz AQQLIJICJLICLL-YJYMSZOUSA-N 0 0 395.915 5.391 50 30 GKEARN CCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000033096928 570809736 /nfs/dbraw/zinc/80/97/36/570809736.db2.gz XTNUWTPYFUQXSP-KQWNVCNZSA-N 0 0 382.577 5.367 50 30 GKEARN CCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000033096944 570809760 /nfs/dbraw/zinc/80/97/60/570809760.db2.gz XMLNBLQNTWQFPU-XKZIYDEJSA-N 0 0 392.931 5.036 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(OCC)cc2)cc1 ZINC000033096936 570809768 /nfs/dbraw/zinc/80/97/68/570809768.db2.gz BZMPSJKOTXMREQ-QJOMJCCJSA-N 0 0 398.576 5.032 50 30 GKEARN CCCN(CC)c1ccc(/C=N\NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000033096943 570809806 /nfs/dbraw/zinc/80/98/06/570809806.db2.gz NMIXECJGOJKIPB-HMAPJEAMSA-N 0 0 388.968 5.205 50 30 GKEARN C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1)c1ccccc1O ZINC000005975556 570811160 /nfs/dbraw/zinc/81/11/60/570811160.db2.gz FSGZUKVYUMFMOF-NFCNUSAFSA-N 0 0 391.858 5.036 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)[C@H](C)Oc3ccc(C)cc3C)sc2C1 ZINC000005984962 570811410 /nfs/dbraw/zinc/81/14/10/570811410.db2.gz XUBGARVOXUKTSA-HOTGVXAUSA-N 0 0 382.529 5.158 50 30 GKEARN Cc1cc(SCc2ccc(C(C)(C)C)cc2)n2c3ccccc3nc2c1C#N ZINC000005986695 570811850 /nfs/dbraw/zinc/81/18/50/570811850.db2.gz AQORAYVEQNGTBG-UHFFFAOYSA-N 0 0 385.536 6.257 50 30 GKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000018276103 570812815 /nfs/dbraw/zinc/81/28/15/570812815.db2.gz DINDKYCVVXFCMR-HSZRJFAPSA-N 0 0 378.447 5.133 50 30 GKEARN CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc(Cl)c1OC ZINC000013039196 570819411 /nfs/dbraw/zinc/81/94/11/570819411.db2.gz LHJZPCAQKLNRJF-RUDMXATFSA-N 0 0 382.790 5.245 50 30 GKEARN O=C(/C=C/c1cccnc1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000012497029 570821998 /nfs/dbraw/zinc/82/19/98/570821998.db2.gz UTIWQCCMBJPWLT-DHZHZOJOSA-N 0 0 386.838 5.140 50 30 GKEARN C=CCOc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000004677105 570823142 /nfs/dbraw/zinc/82/31/42/570823142.db2.gz DEMDHSIWJCANAD-ZXVVBBHZSA-N 0 0 393.490 6.163 50 30 GKEARN CC(C)(C)c1cc(/C=N/NC(=S)Nc2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000004677887 570823725 /nfs/dbraw/zinc/82/37/25/570823725.db2.gz VBSTXWIDJUERCR-OEAKJJBVSA-N 0 0 383.561 5.308 50 30 GKEARN O=C1C=C(NCc2ccc(Cl)c(Cl)c2)C[C@H](c2ccc(Cl)cc2)C1 ZINC000101487484 570824538 /nfs/dbraw/zinc/82/45/38/570824538.db2.gz XFPJCVKCTBMWDM-AWEZNQCLSA-N 0 0 380.702 5.767 50 30 GKEARN Cc1sc(CNc2ccc([N+](=O)[O-])cc2C#N)nc1-c1ccc(Cl)cc1 ZINC000065587036 570836883 /nfs/dbraw/zinc/83/68/83/570836883.db2.gz IATZFQDYRLNPPA-UHFFFAOYSA-N 0 0 384.848 5.164 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000003202642 570837048 /nfs/dbraw/zinc/83/70/48/570837048.db2.gz BXJWAXXOIRYUKP-NRFANRHFSA-N 0 0 381.516 5.024 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000003202647 570837095 /nfs/dbraw/zinc/83/70/95/570837095.db2.gz BXJWAXXOIRYUKP-OAQYLSRUSA-N 0 0 381.516 5.024 50 30 GKEARN Cc1cc2nc(-c3cccc(/N=C/C=C/c4ccccc4[N+](=O)[O-])c3)oc2cc1C ZINC000003169476 570837246 /nfs/dbraw/zinc/83/72/46/570837246.db2.gz PXGAMYSHULFRJI-RQTKGAAPSA-N 0 0 397.434 6.436 50 30 GKEARN CC(=Nn1c(-c2cccc(Cl)c2)csc1=NC(C)C)c1ccc(O)cc1 ZINC000588045723 570841114 /nfs/dbraw/zinc/84/11/14/570841114.db2.gz BPYTUBPRFDVKRU-UHFFFAOYSA-N 0 0 385.920 5.157 50 30 GKEARN CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)cc1 ZINC000004524023 570841886 /nfs/dbraw/zinc/84/18/86/570841886.db2.gz MKFSKHJABLKFOI-FYWRMAATSA-N 0 0 388.463 6.108 50 30 GKEARN CCOc1ccc2c(c1)C(=NNc1cccc(Cl)c1)c1cc(OCC)ccc1-2 ZINC000004524332 570842653 /nfs/dbraw/zinc/84/26/53/570842653.db2.gz QSAHJVWAQQCYNN-UHFFFAOYSA-N 0 0 392.886 5.982 50 30 GKEARN CCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004534893 570846694 /nfs/dbraw/zinc/84/66/94/570846694.db2.gz FVTKRZUMIYXXIZ-LPYMAVHISA-N 0 0 385.920 6.088 50 30 GKEARN COc1cc(C#N)ccc1O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000007470597 570847048 /nfs/dbraw/zinc/84/70/48/570847048.db2.gz ACQWJAQYUWMNFU-DEOSSOPVSA-N 0 0 382.419 5.051 50 30 GKEARN Cc1ccc(CC(C#N)(Cc2ccc(C)cc2)c2nc3ccccc3s2)cc1 ZINC000003298768 570853094 /nfs/dbraw/zinc/85/30/94/570853094.db2.gz GHLYAHXEPBYKLD-UHFFFAOYSA-N 0 0 382.532 6.160 50 30 GKEARN CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1C ZINC000032852814 570854322 /nfs/dbraw/zinc/85/43/22/570854322.db2.gz OVJDBEBWPPSBNK-UHFFFAOYSA-N 0 0 391.496 5.204 50 30 GKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CCC2 ZINC000004545641 570854546 /nfs/dbraw/zinc/85/45/46/570854546.db2.gz PDKYZNAGVHPYKN-ZVHZXABRSA-N 0 0 391.496 5.033 50 30 GKEARN O=C(C=CNc1ccc(F)cc1Br)c1ccc(-c2ccccc2)cc1 ZINC000004544697 570856501 /nfs/dbraw/zinc/85/65/01/570856501.db2.gz JLQSVWXZVAEWBV-OUKQBFOZSA-N 0 0 396.259 6.064 50 30 GKEARN Cc1ccc(NC(=NC(=O)C(Cl)(Cl)Cl)Nc2ccc(C)cc2)cc1 ZINC000004713858 570858884 /nfs/dbraw/zinc/85/88/84/570858884.db2.gz JIFRVHALUWAUMD-UHFFFAOYSA-N 0 0 384.694 5.080 50 30 GKEARN O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1cccc2ccccc21 ZINC000004548473 570859849 /nfs/dbraw/zinc/85/98/49/570859849.db2.gz PFCASCOSTZVEME-RVTFTXCGSA-N 0 0 385.854 7.365 50 30 GKEARN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000170608949 570866982 /nfs/dbraw/zinc/86/69/82/570866982.db2.gz ICPSEXWMPCXGOQ-UHFFFAOYSA-N 0 0 393.458 6.102 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000170618127 570875462 /nfs/dbraw/zinc/87/54/62/570875462.db2.gz FXFLVKQKRZNLQA-QPPBQGQZSA-N 0 0 392.495 5.138 50 30 GKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc(F)cc3)c(-c3ccccc3)c2c1 ZINC000004726080 570878177 /nfs/dbraw/zinc/87/81/77/570878177.db2.gz WYHOVDBFCQFRGX-GXDHUFHOSA-N 0 0 383.422 5.539 50 30 GKEARN C[C@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000004553653 570880151 /nfs/dbraw/zinc/88/01/51/570880151.db2.gz FLKYGQNRTDLNLT-CAUYNWHBSA-N 0 0 392.499 6.015 50 30 GKEARN C[C@@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000004553651 570880213 /nfs/dbraw/zinc/88/02/13/570880213.db2.gz FLKYGQNRTDLNLT-PVLQNKMRSA-N 0 0 392.499 6.015 50 30 GKEARN CN(C)c1ccc(CN(Cc2ccco2)c2oc(-c3ccccc3)nc2C#N)cc1 ZINC000170623733 570881661 /nfs/dbraw/zinc/88/16/61/570881661.db2.gz LJWBKDMYSZEHQF-UHFFFAOYSA-N 0 0 398.466 5.079 50 30 GKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 ZINC000003666070 570882325 /nfs/dbraw/zinc/88/23/25/570882325.db2.gz KVCCLPDRFQQAJJ-MZHDSZJTSA-N 0 0 384.504 6.112 50 30 GKEARN N#CC1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000072476571 570882385 /nfs/dbraw/zinc/88/23/85/570882385.db2.gz DBNVFZVAJRCJFC-UHFFFAOYSA-N 0 0 394.881 5.067 50 30 GKEARN CCCCOc1ccc(/N=C(C)/C(C)=N/c2ccc(OCCCC)cc2)cc1 ZINC000015230323 570886128 /nfs/dbraw/zinc/88/61/28/570886128.db2.gz PAYNIRHOBALWIV-FQHZWJPGSA-N 0 0 380.532 6.929 50 30 GKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1C ZINC000012600712 570886853 /nfs/dbraw/zinc/88/68/53/570886853.db2.gz AWPBJVOFHVRTRV-UHFFFAOYSA-N 0 0 389.451 5.123 50 30 GKEARN COc1ccc(C(=O)C=CNc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 ZINC000103895347 570889883 /nfs/dbraw/zinc/88/98/83/570889883.db2.gz ZEWJTJQLKIQUOB-BUHFOSPRSA-N 0 0 391.854 5.388 50 30 GKEARN CCC(=O)N(/C=C1/Sc2ccccc2C1=O)c1cccc(Br)c1 ZINC000103930051 570890240 /nfs/dbraw/zinc/89/02/40/570890240.db2.gz XIXJTNWZHXSFNA-LFIBNONCSA-N 0 0 388.286 5.022 50 30 GKEARN Cc1ccc(C(=O)C(C(=O)/C=C\c2ccccc2)=C2SCCCS2)cc1 ZINC000103989147 570892209 /nfs/dbraw/zinc/89/22/09/570892209.db2.gz XITBDTBJAXNHOO-RAXLEYEMSA-N 0 0 380.534 5.542 50 30 GKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 ZINC000015658556 570901086 /nfs/dbraw/zinc/90/10/86/570901086.db2.gz UDIFTTQHMZFXLD-MOSHPQCFSA-N 0 0 376.433 5.453 50 30 GKEARN CCC(C)(C)[C@H]1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 ZINC000251203681 570904213 /nfs/dbraw/zinc/90/42/13/570904213.db2.gz CHHATOXYBZFDOW-ODAMYASBSA-N 0 0 380.478 6.847 50 30 GKEARN CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000004026946 570907467 /nfs/dbraw/zinc/90/74/67/570907467.db2.gz NQRNQFVQINDGPA-DXOAFLICSA-N 0 0 387.608 7.231 50 30 biogenic GKEARN CCCCOc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000032907505 570907965 /nfs/dbraw/zinc/90/79/65/570907965.db2.gz WLEMQAFTKUALTG-UHFFFAOYSA-N 0 0 375.493 5.579 50 30 GKEARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C#N)cc4)cc3)sc2c1 ZINC000089665744 570908786 /nfs/dbraw/zinc/90/87/86/570908786.db2.gz SNMJETCYVNEZQL-UHFFFAOYSA-N 0 0 399.475 5.161 50 30 GKEARN COC(=O)c1ccc(N=NC(=NN=c2[nH]c3ccccc3o2)c2ccccc2)cc1 ZINC000015938253 570909788 /nfs/dbraw/zinc/90/97/88/570909788.db2.gz PBEQCAJBTWMULP-NANGTYGOSA-N 0 0 399.410 5.172 50 30 GKEARN Oc1ccccc1/C=N\c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000015938175 570909871 /nfs/dbraw/zinc/90/98/71/570909871.db2.gz JHXXJFKAQKMUQJ-KSEXSDGBSA-N 0 0 383.234 6.258 50 30 GKEARN CCCCOC(=O)c1ccc(NC=CC(=O)c2ccc(OCCCC)cc2)cc1 ZINC000051318537 570910835 /nfs/dbraw/zinc/91/08/35/570910835.db2.gz KUGLXCLBWAWBES-FOCLMDBBSA-N 0 0 395.499 5.631 50 30 GKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1cccc(Cl)c1 ZINC000016890320 570916649 /nfs/dbraw/zinc/91/66/49/570916649.db2.gz VYAUKEQEEDAZRG-UHFFFAOYSA-N 0 0 381.888 5.010 50 30 GKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(Cl)cc1 ZINC000016890318 570916731 /nfs/dbraw/zinc/91/67/31/570916731.db2.gz XMGCZNAZNQZIBL-UHFFFAOYSA-N 0 0 381.888 5.010 50 30 GKEARN Oc1ccc(-c2csc(N=NC3c4ccccc4-c4ccccc43)n2)cc1O ZINC000051329860 570923170 /nfs/dbraw/zinc/92/31/70/570923170.db2.gz JHPSMVUXNSLNSZ-UHFFFAOYSA-N 0 0 385.448 5.066 50 30 GKEARN c1ccc2c(c1)ccc1c2C(=NN=C2CCCc3ccc4ccccc4c32)CCC1 ZINC000017002275 570923276 /nfs/dbraw/zinc/92/32/76/570923276.db2.gz XTBNUTYWLHXYLG-UHFFFAOYSA-N 0 0 388.514 6.859 50 30 GKEARN COc1ccccc1[C@@H]1Nc2nc3ccccc3n2C(C)=C1C(=O)c1ccccc1 ZINC000016606916 570928878 /nfs/dbraw/zinc/92/88/78/570928878.db2.gz MMVIPDNRVYQFCO-QHCPKHFHSA-N 0 0 395.462 5.326 50 30 GKEARN N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCCC2 ZINC000004079245 570930759 /nfs/dbraw/zinc/93/07/59/570930759.db2.gz PWJPHJKOJQJVJD-UHFFFAOYSA-N 0 0 397.481 5.264 50 30 GKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000012652096 570947228 /nfs/dbraw/zinc/94/72/28/570947228.db2.gz RIMQJJWQKLWGME-HSZRJFAPSA-N 0 0 388.511 5.486 50 30 GKEARN O=C1/C(=C/c2cccc3ccccc23)CCCC/C1=C\c1cccc2ccccc12 ZINC000004532795 570949741 /nfs/dbraw/zinc/94/97/41/570949741.db2.gz KGAYCWQUIINRDE-FQHZWJPGSA-N 0 0 388.510 7.603 50 30 GKEARN C=C(C)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001244659 570949746 /nfs/dbraw/zinc/94/97/46/570949746.db2.gz INTAUYNPJGABDU-UHFFFAOYSA-N 0 0 383.586 5.985 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000018182634 570951283 /nfs/dbraw/zinc/95/12/83/570951283.db2.gz KZEMHAYHFISAOW-KDYSTLNUSA-N 0 0 394.518 6.283 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000083265053 570951807 /nfs/dbraw/zinc/95/18/07/570951807.db2.gz YXFSTVHDFBILBL-DLBJIECGSA-N 0 0 380.871 5.216 50 30 GKEARN CCC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001279840 570953007 /nfs/dbraw/zinc/95/30/07/570953007.db2.gz LPSHAGAMTUFCKH-HSZRJFAPSA-N 0 0 390.483 5.224 50 30 GKEARN CCC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001279839 570953124 /nfs/dbraw/zinc/95/31/24/570953124.db2.gz LPSHAGAMTUFCKH-QHCPKHFHSA-N 0 0 390.483 5.224 50 30 GKEARN CCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000004739406 570953875 /nfs/dbraw/zinc/95/38/75/570953875.db2.gz GOCRFTSWDFVSJX-UHFFFAOYSA-N 0 0 396.483 5.002 50 30 GKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)C2=O)cn1 ZINC000252430993 570955960 /nfs/dbraw/zinc/95/59/60/570955960.db2.gz XKRIBCLXBKPPCM-QIQMEMQDSA-N 0 0 390.527 5.030 50 30 GKEARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032100216 570959586 /nfs/dbraw/zinc/95/95/86/570959586.db2.gz IXHAFOBPSISVCV-QGZVFWFLSA-N 0 0 387.464 5.304 50 30 GKEARN Cc1ccc(N=C2c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000252462458 570961022 /nfs/dbraw/zinc/96/10/22/570961022.db2.gz SKCMVVXKXGNGLZ-UHFFFAOYSA-N 0 0 376.459 5.816 50 30 GKEARN CCOc1ccc(N(C(=O)c2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 ZINC000012692570 570961113 /nfs/dbraw/zinc/96/11/13/570961113.db2.gz XOQFBPHIBYUMSV-UHFFFAOYSA-N 0 0 399.475 5.545 50 30 GKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cnc2ccccc21 ZINC000004136213 570961196 /nfs/dbraw/zinc/96/11/96/570961196.db2.gz OUUPVJBUJVBPSE-UHFFFAOYSA-N 0 0 379.467 5.349 50 30 GKEARN N#CC(=NNc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 ZINC000004135153 570962359 /nfs/dbraw/zinc/96/23/59/570962359.db2.gz JQPDAHMANGTIME-LGUFXXKBSA-N 0 0 388.883 5.956 50 30 GKEARN CCCCCCN=Nc1cc(-c2ccccc2)c2cc(Br)ccc2n1 ZINC000004750857 570963801 /nfs/dbraw/zinc/96/38/01/570963801.db2.gz IWZUUYIUSKCKBQ-YDZHTSKRSA-N 0 0 396.332 6.642 50 30 GKEARN COc1ccc(C(=O)/C=C/C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004756445 570966822 /nfs/dbraw/zinc/96/68/22/570966822.db2.gz NXDXYTZWZMACRQ-CQLKWFSRSA-N 0 0 382.463 5.442 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004765603 570971726 /nfs/dbraw/zinc/97/17/26/570971726.db2.gz CAVOFCFJPWOVKO-YMGPPEANSA-N 0 0 390.359 5.061 50 30 GKEARN CCCCCc1ccc2c(c1)Cc1cc(OC(=O)c3ccc(C#N)cc3)ccc1-2 ZINC000002159174 570972517 /nfs/dbraw/zinc/97/25/17/570972517.db2.gz GPVOOQMVNYRAMA-UHFFFAOYSA-N 0 0 381.475 6.081 50 30 GKEARN COc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C#N)CCc1ccccc1-2 ZINC000002153283 570972696 /nfs/dbraw/zinc/97/26/96/570972696.db2.gz KYWBPPCHKJIKPC-UHFFFAOYSA-N 0 0 381.262 5.701 50 30 GKEARN CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1C ZINC000044660477 570975917 /nfs/dbraw/zinc/97/59/17/570975917.db2.gz TYIJLLFOQCMEJW-UHFFFAOYSA-N 0 0 383.451 5.135 50 30 GKEARN CC(=O)/C(=C/c1ccc(-c2ccc(C)c(Cl)c2)o1)C(=O)Nc1ccccc1 ZINC000252498332 570976440 /nfs/dbraw/zinc/97/64/40/570976440.db2.gz QYWDPTMFAPCYAN-UYRXBGFRSA-N 0 0 379.843 5.520 50 30 GKEARN CN(Cc1ccccc1F)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000012735119 570977348 /nfs/dbraw/zinc/97/73/48/570977348.db2.gz QVKRRSYOZSWUCV-UHFFFAOYSA-N 0 0 376.456 5.121 50 30 GKEARN COc1ccc(C(=O)C=CNc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000044843582 570980241 /nfs/dbraw/zinc/98/02/41/570980241.db2.gz XSKPNNFWHBTKKU-CCEZHUSRSA-N 0 0 389.451 5.091 50 30 GKEARN CCCCCCCc1ccc(/C=C\c2nc(-c3ccccc3Cl)no2)cc1 ZINC000108065268 570981325 /nfs/dbraw/zinc/98/13/25/570981325.db2.gz KLJYCZJTRXVREZ-MSUUIHNZSA-N 0 0 380.919 7.073 50 30 GKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2 ZINC000002165804 570982139 /nfs/dbraw/zinc/98/21/39/570982139.db2.gz AUMUDCCVOAQARF-UHFFFAOYSA-N 0 0 390.939 6.445 50 30 GKEARN CCOc1ccc(/C=C2\C[C@@H](CC)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000252514742 570982869 /nfs/dbraw/zinc/98/28/69/570982869.db2.gz DBKQCMQFPJSIHK-KOYHOEFZSA-N 0 0 390.523 6.340 50 30 GKEARN Cc1cc(NC=CC(=O)c2ccc(Br)cc2)ccc1Br ZINC000044974939 570985129 /nfs/dbraw/zinc/98/51/29/570985129.db2.gz KEIUYBHAIKSGCD-CMDGGOBGSA-N 0 0 395.094 5.329 50 30 GKEARN CC#Cc1cc(C[C@@H](CC)CCCC)c(C#CC)cc1C[C@H](CC)CCCC ZINC000060290666 570988560 /nfs/dbraw/zinc/98/85/60/570988560.db2.gz CWDFKLNDSGZYPM-PSWAGMNNSA-N 0 0 378.644 7.947 50 30 GKEARN N#Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 ZINC000004791070 570992948 /nfs/dbraw/zinc/99/29/48/570992948.db2.gz CDYQQFXNLMAYSX-UHFFFAOYSA-N 0 0 396.903 5.009 50 30 GKEARN CC(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002190300 570994534 /nfs/dbraw/zinc/99/45/34/570994534.db2.gz OQPSHIAIPVGRDP-MHZLTWQESA-N 0 0 395.546 7.273 50 30 GKEARN O=C(Nc1cccc(F)c1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000045896334 570998491 /nfs/dbraw/zinc/99/84/91/570998491.db2.gz MAZFTMMVUGJIIP-UHFFFAOYSA-N 0 0 395.434 5.334 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)c1c(ccc3ccccc31)N2 ZINC000001421744 570998889 /nfs/dbraw/zinc/99/88/89/570998889.db2.gz SLRCJGGZKDHCRA-UUOWRZLLSA-N 0 0 392.458 5.786 50 30 GKEARN C=CCn1c2ccccc2nc1-c1c(-c2ccccc2)ncn1Cc1cc(C)on1 ZINC000065430018 571000763 /nfs/dbraw/zinc/00/07/63/571000763.db2.gz IUUNHTNAEBYXRF-UHFFFAOYSA-N 0 0 395.466 5.098 50 30 GKEARN CC(C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000252591381 571001103 /nfs/dbraw/zinc/00/11/03/571001103.db2.gz BATXVMUQJWUIPK-OUCYFQBSSA-N 0 0 386.904 5.361 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=NO)c2ccc(OC)cc2)cc1 ZINC000252594354 571002677 /nfs/dbraw/zinc/00/26/77/571002677.db2.gz BRTIBFCZMJNHOZ-UHFFFAOYSA-N 0 0 383.532 6.441 50 30 GKEARN COc1cc(C=Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252594871 571003223 /nfs/dbraw/zinc/00/32/23/571003223.db2.gz BWDYFOHUIDKRJG-UHFFFAOYSA-N 0 0 393.355 5.055 50 30 GKEARN C(=Nc1cccc(-c2c[nH]cn2)c1)c1nc2ccccc2n1Cc1ccccc1 ZINC000252596194 571003768 /nfs/dbraw/zinc/00/37/68/571003768.db2.gz CHAMKJBQSXXVJF-UHFFFAOYSA-N 0 0 377.451 5.225 50 30 GKEARN Cc1n[nH]c(C)c1Sc1ccccc1N=Cc1cccc(Br)c1 ZINC000252602089 571005680 /nfs/dbraw/zinc/00/56/80/571005680.db2.gz FFFOTQAXWCQGSE-UHFFFAOYSA-N 0 0 386.318 5.691 50 30 GKEARN CCOc1cccc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O ZINC000252603607 571006715 /nfs/dbraw/zinc/00/67/15/571006715.db2.gz FSLLKAXUIISINM-UHFFFAOYSA-N 0 0 392.842 6.003 50 30 GKEARN Oc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(O)c1 ZINC000001434988 571007019 /nfs/dbraw/zinc/00/70/19/571007019.db2.gz TZRHGQCHHCACDA-AUEPDCJTSA-N 0 0 399.233 5.963 50 30 GKEARN COc1cccc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1OC ZINC000012756034 571007129 /nfs/dbraw/zinc/00/71/29/571007129.db2.gz VJXXBDYCLNDVSI-CYVLTUHYSA-N 0 0 399.446 5.577 50 30 GKEARN CCOc1ccc(N=C2S/C(=C\c3ccc(Cl)cc3)C(=O)N2CC)cc1 ZINC000252607885 571008118 /nfs/dbraw/zinc/00/81/18/571008118.db2.gz HGAXWNXBKWZTNH-FNUYTPMSSA-N 0 0 386.904 5.363 50 30 GKEARN Brc1ccc(N=Cc2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000252612758 571015453 /nfs/dbraw/zinc/01/54/53/571015453.db2.gz IVSHQZJSXDWSQX-UHFFFAOYSA-N 0 0 377.285 5.720 50 30 GKEARN CCCCCCCCCNC(=O)c1cccc(N=Cc2cccc(Cl)c2)c1 ZINC000252612757 571015751 /nfs/dbraw/zinc/01/57/51/571015751.db2.gz IVRQBYLNILSMHK-UHFFFAOYSA-N 0 0 384.951 6.571 50 30 GKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccc(Br)cc4)c3)nc2c1 ZINC000252613271 571016824 /nfs/dbraw/zinc/01/68/24/571016824.db2.gz JAKATQGITOYPNW-UHFFFAOYSA-N 0 0 391.268 6.316 50 30 GKEARN Cc1ccsc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000252614469 571017636 /nfs/dbraw/zinc/01/76/36/571017636.db2.gz JJYQYCVZTMFVCR-UHFFFAOYSA-N 0 0 386.586 5.810 50 30 GKEARN CCc1ccccc1N=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1CC ZINC000252615444 571017703 /nfs/dbraw/zinc/01/77/03/571017703.db2.gz JSKKPHPMTMDQPI-JGBPVPSRSA-N 0 0 375.497 5.354 50 30 GKEARN CCc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000252614452 571017898 /nfs/dbraw/zinc/01/78/98/571017898.db2.gz JJRGSYUQNGTVHX-OUUDUQSLSA-N 0 0 384.504 6.058 50 30 GKEARN COc1ccc(N=C2S/C(=C\c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000252616321 571018596 /nfs/dbraw/zinc/01/85/96/571018596.db2.gz JZKZXUMBEFSGTI-APOQOXIPSA-N 0 0 380.513 5.264 50 30 GKEARN COc1ccc2cc(CN=Nc3nc4cc(Cl)ccc4nc3Cl)ccc2c1 ZINC000252616770 571018784 /nfs/dbraw/zinc/01/87/84/571018784.db2.gz KFAANBWVMHGVLH-UHFFFAOYSA-N 0 0 397.265 5.544 50 30 GKEARN Cc1ccc2nc(-c3cc(N=C/C=C\c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c1 ZINC000252618212 571021709 /nfs/dbraw/zinc/02/17/09/571021709.db2.gz LFATVESGTYMWRE-MKGDOARWSA-N 0 0 399.406 5.833 50 30 GKEARN O=[N+]([O-])c1ccccc1-c1ccc(C=NNc2ccc(Br)cc2)o1 ZINC000252618966 571021795 /nfs/dbraw/zinc/02/17/95/571021795.db2.gz LLRRKRDCONPHEJ-UHFFFAOYSA-N 0 0 386.205 5.063 50 30 GKEARN N#Cc1cccnc1Oc1ccccc1NCc1cc2ccccc2nc1Cl ZINC000084594816 571025207 /nfs/dbraw/zinc/02/52/07/571025207.db2.gz BNEMSLYOYZTDKP-UHFFFAOYSA-N 0 0 386.842 5.559 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)nc4ccccc43)n2)cc1 ZINC000007735323 571027460 /nfs/dbraw/zinc/02/74/60/571027460.db2.gz ALDGMVZBZYPVHV-UHFFFAOYSA-N 0 0 390.855 5.136 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1 ZINC000007737611 571027629 /nfs/dbraw/zinc/02/76/29/571027629.db2.gz PQGOXQXUVYVDLN-UHFFFAOYSA-N 0 0 386.480 5.124 50 30 GKEARN Cc1ccc2nc(-c3ccc(N=Cc4c(O)ccc5ccccc54)cc3)oc2c1 ZINC000252621002 571033102 /nfs/dbraw/zinc/03/31/02/571033102.db2.gz MQOGMNHUEWWPDJ-UHFFFAOYSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(Br)cc3)n2)cc1 ZINC000252621768 571033510 /nfs/dbraw/zinc/03/35/10/571033510.db2.gz NGHYGVUVNZDGJS-UHFFFAOYSA-N 0 0 386.318 5.717 50 30 GKEARN Clc1ccc(Cl)c(CN=Nc2nc(-c3ccccc3)cs2)c1Cl ZINC000252622745 571033977 /nfs/dbraw/zinc/03/39/77/571033977.db2.gz OBTHVHTWXGJYFS-UHFFFAOYSA-N 0 0 382.703 6.216 50 30 GKEARN COc1ccc2ccccc2c1C=Nc1ccccc1Sc1c(C)n[nH]c1C ZINC000252623095 571034880 /nfs/dbraw/zinc/03/48/80/571034880.db2.gz OKADARDMYUKRLD-UHFFFAOYSA-N 0 0 387.508 6.090 50 30 GKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1ncc(-c3ccc4ccccc4c3)s1)C2 ZINC000252623165 571034908 /nfs/dbraw/zinc/03/49/08/571034908.db2.gz OLJYBWWEEIPPRM-FDDCHVKYSA-N 0 0 375.541 6.577 50 30 GKEARN N#CCSc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000007778302 571036282 /nfs/dbraw/zinc/03/62/82/571036282.db2.gz URVHUHVRYLYRNT-NRFANRHFSA-N 0 0 392.911 5.475 50 30 GKEARN COc1cccc(C=Nc2ccc(NC(C)=O)cc2)c1OCc1ccc(F)cc1 ZINC000252624505 571038177 /nfs/dbraw/zinc/03/81/77/571038177.db2.gz PPDCUEFGHQJDMT-UHFFFAOYSA-N 0 0 392.430 5.122 50 30 GKEARN C#CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000004694812 571042214 /nfs/dbraw/zinc/04/22/14/571042214.db2.gz SOWFBPFWNCVPHI-PXLXIMEGSA-N 0 0 399.471 5.088 50 30 GKEARN N#Cc1ccc(/C=C2/OCc3nc4ccccc4c(-c4ccccc4)c3C2=O)cc1 ZINC000205881071 571048623 /nfs/dbraw/zinc/04/86/23/571048623.db2.gz LCAGSETWIOOCGS-OEAKJJBVSA-N 0 0 388.426 5.527 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1c(-c2ccccc2)nc2ccccn21 ZINC000004815763 571094224 /nfs/dbraw/zinc/09/42/24/571094224.db2.gz WAJBZXDVKNONEZ-LPYMAVHISA-N 0 0 392.256 5.220 50 30 GKEARN Oc1ccccc1C=NNc1cc2ccccc2cc1NN=Cc1ccccc1O ZINC000004158383 230833061 /nfs/dbraw/zinc/83/30/61/230833061.db2.gz YPYWKAFYGFIVQP-RYQLWAFASA-N 0 0 396.450 5.143 50 30 GKEARN Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2c1C(=O)CCC2 ZINC000040134081 230930264 /nfs/dbraw/zinc/93/02/64/230930264.db2.gz FPYVXTOCLFTDFY-LJQANCHMSA-N 0 0 384.435 5.015 50 30 GKEARN O=C(Cc1ccc(Cl)cc1)O[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000328592364 231045691 /nfs/dbraw/zinc/04/56/91/231045691.db2.gz DZONMIMVJLKITR-JOCHJYFZSA-N 0 0 393.870 5.324 50 30 GKEARN O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000328592460 231045774 /nfs/dbraw/zinc/04/57/74/231045774.db2.gz QOUIVWCZJKTOBA-NRFANRHFSA-N 0 0 379.843 5.455 50 30 GKEARN N#Cc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000409415704 231204869 /nfs/dbraw/zinc/20/48/69/231204869.db2.gz ZDEKBECACQXAHN-HXUWFJFHSA-N 0 0 395.437 5.174 50 30 GKEARN CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000328592492 529712548 /nfs/dbraw/zinc/71/25/48/529712548.db2.gz YHYOELRIXPSKTD-QFIPXVFZSA-N 0 0 387.479 5.297 50 30 GKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1C ZINC000096602643 120332130 /nfs/dbraw/zinc/33/21/30/120332130.db2.gz ZTBAQOPJSHMFJX-QHQVFXOCSA-N 0 0 395.553 5.379 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccc(F)cc1)c1ccccc1N2 ZINC000015826356 210171279 /nfs/dbraw/zinc/17/12/79/210171279.db2.gz GPMHROIJQCAEIX-DEOSSOPVSA-N 0 0 388.442 5.599 50 30 GKEARN N#Cc1cccc(C=C(Cl)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000012804026 210011051 /nfs/dbraw/zinc/01/10/51/210011051.db2.gz VLXVYXCUGHHEKF-YVLHZVERSA-N 0 0 389.867 5.260 50 30 GKEARN CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000008438751 209782059 /nfs/dbraw/zinc/78/20/59/209782059.db2.gz UOMLPGDCACEVAQ-NRFANRHFSA-N 0 0 392.499 5.020 50 30 GKEARN Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 ZINC000006824913 209694083 /nfs/dbraw/zinc/69/40/83/209694083.db2.gz ACLLOECYHICEAT-MSOLQXFVSA-N 0 0 392.911 5.991 50 30 GKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCC(C)C)cc1 ZINC000005454383 209595949 /nfs/dbraw/zinc/59/59/49/209595949.db2.gz VRQJMXGTEPHNMJ-UHFFFAOYSA-N 0 0 382.511 5.635 50 30 GKEARN CC[C@@H](C)Nc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005249022 209582740 /nfs/dbraw/zinc/58/27/40/209582740.db2.gz UBZBIMKORUSOQK-QGZVFWFLSA-N 0 0 382.511 5.777 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004918438 209545820 /nfs/dbraw/zinc/54/58/20/209545820.db2.gz HTSQXZDHJSRQEX-FYYLOGMGSA-N 0 0 380.459 5.268 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCCO3 ZINC000004794440 209526302 /nfs/dbraw/zinc/52/63/02/209526302.db2.gz OXGCLZMVATZCFX-NRFANRHFSA-N 0 0 395.886 5.312 50 30 GKEARN C=COC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000004734620 209518865 /nfs/dbraw/zinc/51/88/65/209518865.db2.gz OVKZKEVCDKFYPA-UHFFFAOYSA-N 0 0 396.468 5.267 50 30 GKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 ZINC000004674082 209508723 /nfs/dbraw/zinc/50/87/23/209508723.db2.gz HHVPYDVAAOCTJT-UHFFFAOYSA-N 0 0 382.511 6.452 50 30 GKEARN Cc1ccc(CSc2nsc(SCc3ccc(C)cc3)c2C#N)cc1 ZINC000004474056 209487753 /nfs/dbraw/zinc/48/77/53/209487753.db2.gz TURJESZNVYDVJQ-UHFFFAOYSA-N 0 0 382.579 6.216 50 30 GKEARN N#CC(=NNc1cc(Cl)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 ZINC000004175485 209468134 /nfs/dbraw/zinc/46/81/34/209468134.db2.gz KAEOCHOKOLYIAR-BUVRLJJBSA-N 0 0 391.258 5.596 50 30 GKEARN N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000003330652 209425314 /nfs/dbraw/zinc/42/53/14/209425314.db2.gz WULNGJKATHVNFN-XYOKQWHBSA-N 0 0 394.257 6.151 50 30 GKEARN O=C1c2ccccc2OC/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003357954 209428036 /nfs/dbraw/zinc/42/80/36/209428036.db2.gz NINRYUYMXDXDSW-LGMDPLHJSA-N 0 0 384.460 5.260 50 30 GKEARN CCOc1ccccc1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N ZINC000002962285 209401383 /nfs/dbraw/zinc/40/13/83/209401383.db2.gz XJNRBTJWEQUPTD-UHFFFAOYSA-N 0 0 397.887 5.229 50 30 GKEARN COc1cccc(-c2nc3cc(/N=C/c4ccc(OC)c(Cl)c4)ccc3o2)c1 ZINC000003193506 209414711 /nfs/dbraw/zinc/41/47/11/209414711.db2.gz CMBUSBHUODZCEE-ZMOGYAJESA-N 0 0 392.842 5.916 50 30 GKEARN N#C[C@H](c1ccccc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000003133307 209413312 /nfs/dbraw/zinc/41/33/12/209413312.db2.gz SKRWCLXPEBYLAL-GFCCVEGCSA-N 0 0 381.279 5.323 50 30 GKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2ccc(Cl)cc2)c1=O ZINC000003133655 209412389 /nfs/dbraw/zinc/41/23/89/209412389.db2.gz KQJXMJMYETXFRX-UHFFFAOYSA-N 0 0 388.776 5.107 50 30 GKEARN Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3Cl)nc2c1 ZINC000003092347 209411080 /nfs/dbraw/zinc/41/10/80/209411080.db2.gz KPLSBWWEHDPHIZ-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN N#Cc1c(NC(=O)c2ccccc2)oc(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000002846398 209391648 /nfs/dbraw/zinc/39/16/48/209391648.db2.gz WHCRVGOLTXMZIH-UHFFFAOYSA-N 0 0 398.849 6.391 50 30 GKEARN O=C1SC(SCc2ccc(Cl)cc2)=N/C1=C\c1c(F)cccc1Cl ZINC000002835069 209390066 /nfs/dbraw/zinc/39/00/66/209390066.db2.gz GSVMUCIODZDSLB-NVNXTCNLSA-N 0 0 398.311 6.036 50 30 GKEARN Cc1cc2nc(-c3cccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)c3)oc2cc1C ZINC000002807379 209387962 /nfs/dbraw/zinc/38/79/62/209387962.db2.gz JSMWFDMXCPWHOT-VMOZZEIESA-N 0 0 397.434 6.436 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 ZINC000002756886 209382101 /nfs/dbraw/zinc/38/21/01/209382101.db2.gz HDYSPHBDHVRZAY-KEFKZDGPSA-N 0 0 399.475 6.596 50 30 GKEARN CCCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002736737 209381300 /nfs/dbraw/zinc/38/13/00/209381300.db2.gz MDERXJPGEPOJOI-UHFFFAOYSA-N 0 0 388.555 6.691 50 30 GKEARN CCCCCCCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000002442619 209363318 /nfs/dbraw/zinc/36/33/18/209363318.db2.gz PERXHYXYGDFZNE-UHFFFAOYSA-N 0 0 392.503 5.431 50 30 GKEARN CCC(=O)Oc1ccc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 ZINC000002288755 209355012 /nfs/dbraw/zinc/35/50/12/209355012.db2.gz SEYIOVREXKILHR-ZMOGYAJESA-N 0 0 381.859 6.031 50 30 GKEARN N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1-c1cccs1)CCCC2 ZINC000002262007 209353956 /nfs/dbraw/zinc/35/39/56/209353956.db2.gz NMEZHYKFZRNWPK-UXBLZVDNSA-N 0 0 388.561 6.366 50 30 GKEARN CCOc1ccc(-c2nc3cc(/N=C/c4cccc(OC)c4O)ccc3o2)cc1 ZINC000001511769 209332638 /nfs/dbraw/zinc/33/26/38/209332638.db2.gz KLLXOJXROHHRLJ-ZVHZXABRSA-N 0 0 388.423 5.358 50 30 GKEARN O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 ZINC000002061502 209345216 /nfs/dbraw/zinc/34/52/16/209345216.db2.gz VZUDIADIMJEGSR-UHFFFAOYSA-N 0 0 378.225 5.039 50 30 GKEARN Cc1ccc2oc(-c3cc(/N=C/c4ccccc4Cl)ccc3Cl)nc2c1 ZINC000002067332 209344319 /nfs/dbraw/zinc/34/43/19/209344319.db2.gz NXNNBZSMEIGQCT-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000001952420 209343071 /nfs/dbraw/zinc/34/30/71/209343071.db2.gz GRFIPJLXVQZNLF-ZMOGYAJESA-N 0 0 384.262 6.336 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@@H]1CCCCC1=O ZINC000001794186 209340467 /nfs/dbraw/zinc/34/04/67/209340467.db2.gz BXNLBDXZIVDHHX-HSZRJFAPSA-N 0 0 384.504 5.891 50 30 GKEARN N#Cc1c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2n2ccccc12 ZINC000001403767 209326292 /nfs/dbraw/zinc/32/62/92/209326292.db2.gz QBCCRWROVVZMOE-UHFFFAOYSA-N 0 0 387.748 5.824 50 30 GKEARN COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000001506455 209330653 /nfs/dbraw/zinc/33/06/53/209330653.db2.gz FWVPJPDXGCUTGB-ZVHZXABRSA-N 0 0 375.859 5.497 50 30 GKEARN CC(=O)Nc1ccc(/N=C/c2ccc(/C=N/c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000001465048 209329075 /nfs/dbraw/zinc/32/90/75/209329075.db2.gz MKWAIYFJKLKGJK-RYQLWAFASA-N 0 0 398.466 5.105 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001438842 209327981 /nfs/dbraw/zinc/32/79/81/209327981.db2.gz BXUVNJVUYJUPTC-JOCHJYFZSA-N 0 0 391.471 5.434 50 30 GKEARN O=C1C=C(Nc2ccc(Br)c(Cl)c2)C[C@@H](c2ccccc2)C1 ZINC000001216174 209315224 /nfs/dbraw/zinc/31/52/24/209315224.db2.gz AUAULTUWHKOKKB-CYBMUJFWSA-N 0 0 376.681 5.545 50 30 GKEARN N#Cc1c2c(sc1-n1ncnc1-c1ccc(Cl)cc1Cl)CCCC2 ZINC000001193055 209312372 /nfs/dbraw/zinc/31/23/72/209312372.db2.gz BUSXQMDUBJOFID-UHFFFAOYSA-N 0 0 375.284 5.053 50 30 GKEARN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1sc(C)c(C)c1C#N ZINC000001098496 209299851 /nfs/dbraw/zinc/29/98/51/209299851.db2.gz BPUGMQUNZWLNHG-AUEPDCJTSA-N 0 0 377.469 5.123 50 30 GKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000001049127 209293911 /nfs/dbraw/zinc/29/39/11/209293911.db2.gz FFWHGKJNXRYADL-IBGZPJMESA-N 0 0 395.289 6.210 50 30 GKEARN COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C ZINC000000980610 209285296 /nfs/dbraw/zinc/28/52/96/209285296.db2.gz OSKRPXZKQSCTNZ-UHFFFAOYSA-N 0 0 391.854 5.219 50 30 GKEARN COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000858254 209272902 /nfs/dbraw/zinc/27/29/02/209272902.db2.gz BDFUUMKKIZQVPO-QHCPKHFHSA-N 0 0 399.490 5.755 50 30 GKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000822851 209269636 /nfs/dbraw/zinc/26/96/36/209269636.db2.gz CJMUZMUSCIZZDD-RUZDIDTESA-N 0 0 383.491 6.158 50 30 GKEARN COc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000000828711 209270106 /nfs/dbraw/zinc/27/01/06/209270106.db2.gz BGCPPTITULUGEY-RUZDIDTESA-N 0 0 383.491 6.158 50 30 GKEARN CCCN1C2=C(C(=O)c3ccccc32)[C@H](c2ccc(F)cc2)C2=C1CCCC2=O ZINC000000809902 209268067 /nfs/dbraw/zinc/26/80/67/209268067.db2.gz JCMQRYJFBKDEJP-OAQYLSRUSA-N 0 0 387.454 5.250 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc([N+](=O)[O-])o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000812842 209267745 /nfs/dbraw/zinc/26/77/45/209267745.db2.gz ZJBQOARWOBPMGC-HXUWFJFHSA-N 0 0 381.432 5.027 50 30 GKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCCC2 ZINC000000797369 209266710 /nfs/dbraw/zinc/26/67/10/209266710.db2.gz QDCVVGZROSDQAK-WSDLNYQXSA-N 0 0 377.425 5.417 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000795673 209265148 /nfs/dbraw/zinc/26/51/48/209265148.db2.gz VZHOTMWUFKXBAK-IQMFZBJNSA-N 0 0 390.870 5.913 50 30 GKEARN N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000000762963 209264040 /nfs/dbraw/zinc/26/40/40/209264040.db2.gz GMIZJQBCHSTIHP-UHFFFAOYSA-N 0 0 393.240 5.365 50 30 GKEARN C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)/C(=N/c2ccccc2Cl)S1 ZINC000000721895 209262734 /nfs/dbraw/zinc/26/27/34/209262734.db2.gz TUONMUGIBGMEPN-ROUHYJKNSA-N 0 0 380.300 5.650 50 30 GKEARN COc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 ZINC000000704441 209260108 /nfs/dbraw/zinc/26/01/08/209260108.db2.gz ZTYBOLHMYUNYAF-UHFFFAOYSA-N 0 0 379.500 5.192 50 30 GKEARN COc1cc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000684734 209259113 /nfs/dbraw/zinc/25/91/13/209259113.db2.gz QMBWASKVCKQXQK-XMMPIXPASA-N 0 0 399.490 5.864 50 30 GKEARN CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000677596 209258160 /nfs/dbraw/zinc/25/81/60/209258160.db2.gz BMATVWGIWQAWLK-SANMLTNESA-N 0 0 397.518 6.548 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000651664 209255348 /nfs/dbraw/zinc/25/53/48/209255348.db2.gz GCPKPCZKYFAWCT-IQMFZBJNSA-N 0 0 388.492 5.433 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000000656879 209255284 /nfs/dbraw/zinc/25/52/84/209255284.db2.gz QICZEGJZURFHAW-WQRHYEAKSA-N 0 0 383.266 6.039 50 30 GKEARN O=C1c2ccc(OCc3c(F)cccc3Cl)cc2O/C1=C\c1cccnc1 ZINC000005249747 209231050 /nfs/dbraw/zinc/23/10/50/209231050.db2.gz ZEELHQNIHVPIFN-UKWGHVSLSA-N 0 0 381.790 5.069 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccccc2F)c(OC(=O)c2cccs2)c1 ZINC000004184797 209231146 /nfs/dbraw/zinc/23/11/46/209231146.db2.gz IIFJDXRGGNLANQ-DHZHZOJOSA-N 0 0 382.412 5.011 50 30 GKEARN O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1ccco1 ZINC000002413785 209229164 /nfs/dbraw/zinc/22/91/64/209229164.db2.gz FQRQZVIETVHZPF-GRSHGNNSSA-N 0 0 387.218 5.782 50 30 GKEARN C=C1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000257347969 209224353 /nfs/dbraw/zinc/22/43/53/209224353.db2.gz ACOZANUSWBYJDV-KQRXNGBHSA-N 0 0 388.548 5.059 50 30 GKEARN CCc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002070686 212263448 /nfs/dbraw/zinc/26/34/48/212263448.db2.gz COWDEZSXEYOZRN-SANMLTNESA-N 0 0 381.519 6.712 50 30 GKEARN CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002073102 212263316 /nfs/dbraw/zinc/26/33/16/212263316.db2.gz GYGOVVUINWTXQB-UHFFFAOYSA-N 0 0 380.900 6.061 50 30 GKEARN Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)oc2c(C)c1 ZINC000002071743 212263194 /nfs/dbraw/zinc/26/31/94/212263194.db2.gz YIERTSZFKCCNKW-BRJLIKDPSA-N 0 0 390.870 6.530 50 30 GKEARN Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)c1 ZINC000001915105 212260496 /nfs/dbraw/zinc/26/04/96/212260496.db2.gz XMCLUBCVDUIOAN-UHFFFAOYSA-N 0 0 389.329 5.123 50 30 GKEARN CCCCCCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000001881086 212259328 /nfs/dbraw/zinc/25/93/28/212259328.db2.gz JLDDLKBDGUOXJC-UHFFFAOYSA-N 0 0 397.129 6.257 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1Cl ZINC000001836676 212257879 /nfs/dbraw/zinc/25/78/79/212257879.db2.gz XBKLLZNRGAWATO-XMMPIXPASA-N 0 0 387.910 6.803 50 30 GKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 ZINC000001435206 212244420 /nfs/dbraw/zinc/24/44/20/212244420.db2.gz LRFUOTOCYRZNMX-FOKLQQMPSA-N 0 0 395.777 5.946 50 30 GKEARN Cc1ccc([C@H](C#N)c2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000001389500 212241561 /nfs/dbraw/zinc/24/15/61/212241561.db2.gz YGKJCHLQHUILMM-ZDUSSCGKSA-N 0 0 395.306 5.631 50 30 GKEARN COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl ZINC000001268443 212233379 /nfs/dbraw/zinc/23/33/79/212233379.db2.gz KUSGFMZHQMIVJT-SECBINFHSA-N 0 0 395.311 5.312 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001215409 212229850 /nfs/dbraw/zinc/22/98/50/212229850.db2.gz VDSJTYGXADMSLC-AFMDSPMNSA-N 0 0 398.481 6.114 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccccc1Cl)CC(=O)N2c1ccc(F)cc1F ZINC000001079587 212215438 /nfs/dbraw/zinc/21/54/38/212215438.db2.gz XRKBMIXLGFNHIL-AWEZNQCLSA-N 0 0 387.813 5.146 50 30 GKEARN CSc1ccc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc1 ZINC000001069803 212213466 /nfs/dbraw/zinc/21/34/66/212213466.db2.gz PFPGBTVLFUSDBH-QFIPXVFZSA-N 0 0 386.520 5.830 50 30 GKEARN N#Cc1c(OCC(=O)c2ccccc2)nc(-c2ccccc2)cc1-c1cccs1 ZINC000001035441 212208708 /nfs/dbraw/zinc/20/87/08/212208708.db2.gz LPNMGNXRUKZFBR-UHFFFAOYSA-N 0 0 396.471 5.610 50 30 GKEARN N#Cc1c2nc3ccccc3n2c(Sc2nc3ccccc3[nH]2)c2c1CCCC2 ZINC000001034597 212207383 /nfs/dbraw/zinc/20/73/83/212207383.db2.gz RPJAMQRZCVRXDV-UHFFFAOYSA-N 0 0 395.491 5.265 50 30 GKEARN CN(C)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000000999296 212204776 /nfs/dbraw/zinc/20/47/76/212204776.db2.gz CMINFVVVLYEQBP-MFKUBSTISA-N 0 0 388.902 5.555 50 30 GKEARN C[C@H]1CCc2sc(NC(=O)C(c3ccccc3)c3ccccc3)c(C#N)c2C1 ZINC000000998703 212203818 /nfs/dbraw/zinc/20/38/18/212203818.db2.gz ZMYPCBBRDLGZIG-INIZCTEOSA-N 0 0 386.520 5.515 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 ZINC000000974254 212201984 /nfs/dbraw/zinc/20/19/84/212201984.db2.gz UFGIYFPSYNNRJK-SIBVEZHUSA-N 0 0 396.490 5.680 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3C(C)(C)C)sc2C1 ZINC000000947399 212198351 /nfs/dbraw/zinc/19/83/51/212198351.db2.gz JYYDKIXRNQJWQU-CQSZACIVSA-N 0 0 382.529 5.060 50 30 GKEARN COc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000845895 212188439 /nfs/dbraw/zinc/18/84/39/212188439.db2.gz UXRLYFRMELACOM-UHFFFAOYSA-N 0 0 381.435 5.300 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O ZINC000000808989 212183491 /nfs/dbraw/zinc/18/34/91/212183491.db2.gz FSLLKAXUIISINM-ZMOGYAJESA-N 0 0 392.842 6.003 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000795675 212183049 /nfs/dbraw/zinc/18/30/49/212183049.db2.gz VZHOTMWUFKXBAK-NPMXOYFQSA-N 0 0 390.870 5.913 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000720480 212178441 /nfs/dbraw/zinc/17/84/41/212178441.db2.gz VWTJBNWEENSQDU-FATZIPQQSA-N 0 0 390.483 5.867 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000710789 212177245 /nfs/dbraw/zinc/17/72/45/212177245.db2.gz GAYJOKKVLXARKJ-CMJOXMDJSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(-n2ccnc2)c1Cc1ccc(Cl)cc1 ZINC000000633638 212166641 /nfs/dbraw/zinc/16/66/41/212166641.db2.gz BFZGJTGNKLOLEI-UHFFFAOYSA-N 0 0 397.869 5.098 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccco3)C12 ZINC000009110472 212162695 /nfs/dbraw/zinc/16/26/95/212162695.db2.gz DJCDGSVNDVIMCJ-QMHKHESXSA-N 0 0 381.435 5.045 50 30 GKEARN C=CCc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O ZINC000086012687 212150405 /nfs/dbraw/zinc/15/04/05/212150405.db2.gz GJTZQXNRNNDGRG-UHFFFAOYSA-N 0 0 392.495 5.320 50 30 GKEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)cc1 ZINC000006167786 212148088 /nfs/dbraw/zinc/14/80/88/212148088.db2.gz NVHSOTZVJOAZGX-MXAYSNPKSA-N 0 0 396.442 5.509 50 30 biogenic GKEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1c(F)cccc1Cl ZINC000005216145 212145961 /nfs/dbraw/zinc/14/59/61/212145961.db2.gz YUZXHHFYWZDLQX-NHDPSOOVSA-N 0 0 398.792 5.813 50 30 GKEARN C=C(C)COc1ccc2c(c1)occ(Oc1ccc(C(=O)OCCC)cc1)c2=O ZINC000002103212 212144888 /nfs/dbraw/zinc/14/48/88/212144888.db2.gz LHCWKCZBALIPCJ-UHFFFAOYSA-N 0 0 394.423 5.107 50 30 biogenic GKEARN C=C(C)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 ZINC000002304330 212101881 /nfs/dbraw/zinc/10/18/81/212101881.db2.gz KBWSWZKSCATHLM-UHFFFAOYSA-N 0 0 378.526 5.163 50 30 GKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000002282638 212101715 /nfs/dbraw/zinc/10/17/15/212101715.db2.gz VIMFBPZAZJQDSI-DHDCSXOGSA-N 0 0 396.320 5.641 50 30 GKEARN C=C(C)CSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002329676 212101633 /nfs/dbraw/zinc/10/16/33/212101633.db2.gz RAXZFSKEZXOOTQ-UHFFFAOYSA-N 0 0 394.584 5.747 50 30 GKEARN O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(Br)cc1 ZINC000002464182 212103111 /nfs/dbraw/zinc/10/31/11/212103111.db2.gz VRPUTNFFVKQVOH-UHFFFAOYSA-N 0 0 376.253 5.101 50 30 GKEARN C(#Cc1ccc2c(c1)sc1cc(C#Cc3ccccc3)ccc12)c1ccccc1 ZINC000002301076 212100918 /nfs/dbraw/zinc/10/09/18/212100918.db2.gz BLVXWIWJGIBYTQ-UHFFFAOYSA-N 0 0 384.503 6.854 50 30 GKEARN C=CCNC(=S)Nc1cccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000005498639 212081130 /nfs/dbraw/zinc/08/11/30/212081130.db2.gz FHCGFQLOGXYWMH-UHFFFAOYSA-N 0 0 396.299 5.077 50 30 GKEARN C=CCNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000005642361 212080880 /nfs/dbraw/zinc/08/08/80/212080880.db2.gz PWGPCORHZQVRQK-UHFFFAOYSA-N 0 0 396.556 5.093 50 30 GKEARN C=CCSc1nnc2c3c(ncn12)[C@@H]1C2=C(CCC2)C(CCCC)=N[C@H]1S3 ZINC000006309846 212080463 /nfs/dbraw/zinc/08/04/63/212080463.db2.gz RTFJTRXIXUBGLF-KXBFYZLASA-N 0 0 397.573 5.043 50 30 GKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H](CC)c1ccccc1 ZINC000005484246 212080510 /nfs/dbraw/zinc/08/05/10/212080510.db2.gz GWXNVIAESRWXJF-IBGZPJMESA-N 0 0 395.890 5.098 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC000005608046 212080524 /nfs/dbraw/zinc/08/05/24/212080524.db2.gz QJXRTFUPLSQFDD-CQSZACIVSA-N 0 0 382.554 5.240 50 30 GKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccccc1 ZINC000004285472 212077344 /nfs/dbraw/zinc/07/73/44/212077344.db2.gz QYZYBDZLNPQUHW-UHFFFAOYSA-N 0 0 390.537 5.547 50 30 GKEARN CC(C)(C)c1cc(C2=C(Cl)C(=O)c3ccccc3C2=O)c(C(C)(C)C)cc1O ZINC000003764838 212063429 /nfs/dbraw/zinc/06/34/29/212063429.db2.gz RWLBWYXFYTZDFB-UHFFFAOYSA-N 0 0 396.914 6.016 50 30 GKEARN CCCCCCCCC(=O)NCCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003768007 212063797 /nfs/dbraw/zinc/06/37/97/212063797.db2.gz PHFLPSUGQAYFFJ-UHFFFAOYSA-N 0 0 378.969 5.873 50 30 GKEARN C=CCOc1cc2c(cc1Br)n(CCCC)c(C)c2C(=O)OCC ZINC000038937781 212041739 /nfs/dbraw/zinc/04/17/39/212041739.db2.gz QPYTUOXCHBFXDE-UHFFFAOYSA-N 0 0 394.309 5.254 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@@H]5O[C@@H]5CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257356106 212029379 /nfs/dbraw/zinc/02/93/79/212029379.db2.gz FVUXRLSHCHFWTB-XNZKQLDXSA-N 0 0 386.664 7.485 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@H]3CC[C@@]21C ZINC000257350610 212029247 /nfs/dbraw/zinc/02/92/47/212029247.db2.gz YSHCPAAHOVSKSB-JAGYWOQLSA-N 0 0 386.664 7.629 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257355376 212030187 /nfs/dbraw/zinc/03/01/87/212030187.db2.gz AKTPAJMBVLOPJG-IESWZAOTSA-N 0 0 386.664 7.485 50 30 GKEARN Cc1cc(Nc2ccc(Br)cc2)n2c3ccccc3nc2c1C#N ZINC000000631136 203843095 /nfs/dbraw/zinc/84/30/95/203843095.db2.gz HKWSHGTTXLMGTQ-UHFFFAOYSA-N 0 0 377.245 5.174 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000795671 203853425 /nfs/dbraw/zinc/85/34/25/203853425.db2.gz VZHOTMWUFKXBAK-CMJOXMDJSA-N 0 0 390.870 5.913 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000820245 203856296 /nfs/dbraw/zinc/85/62/96/203856296.db2.gz HHYWDJNNVCCUOM-JOCHJYFZSA-N 0 0 398.462 5.949 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(C#N)cc1 ZINC000000832965 203857590 /nfs/dbraw/zinc/85/75/90/203857590.db2.gz WXBXSFSCEIBENK-VWLOTQADSA-N 0 0 378.475 6.021 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000001079515 203880573 /nfs/dbraw/zinc/88/05/73/203880573.db2.gz OHZNTVBPOCWQDK-INIZCTEOSA-N 0 0 397.877 5.643 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000001079461 203881129 /nfs/dbraw/zinc/88/11/29/203881129.db2.gz HIORRLLYXMNRQY-GOSISDBHSA-N 0 0 379.887 5.504 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)O1 ZINC000001390830 203905474 /nfs/dbraw/zinc/90/54/74/203905474.db2.gz KIZZGYPNLVSPQY-YOEHRIQHSA-N 0 0 387.262 5.425 50 30 GKEARN Cc1ccccc1-c1nc2cc(/N=C/c3c(Cl)cccc3Cl)ccc2o1 ZINC000002053661 203925027 /nfs/dbraw/zinc/92/50/27/203925027.db2.gz LASFQMAVXCYDFP-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc21 ZINC000002284641 203934989 /nfs/dbraw/zinc/93/49/89/203934989.db2.gz CZYMPHOGNGOIKL-UHFFFAOYSA-N 0 0 389.539 7.036 50 30 GKEARN CCOc1ccccc1[C@@H]1Sc2ccccc2N=C2c3ccccc3C(=O)C21 ZINC000002434808 203943802 /nfs/dbraw/zinc/94/38/02/203943802.db2.gz JVSUJLVDKLXPKE-DEOSSOPVSA-N 0 0 385.488 5.952 50 30 GKEARN CCCCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002742334 203959358 /nfs/dbraw/zinc/95/93/58/203959358.db2.gz QCFXCLHNYBCFKE-UHFFFAOYSA-N 0 0 395.265 5.436 50 30 GKEARN CC(C)c1ccc(Nc2nnc(SCC(=O)c3ccc(C#N)cc3)s2)cc1 ZINC000003296591 203995262 /nfs/dbraw/zinc/99/52/62/203995262.db2.gz UFVXGTHUPLVDRE-UHFFFAOYSA-N 0 0 394.525 5.252 50 30 GKEARN C=C[C@@H]1Oc2cc([N+](=O)[O-])ccc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000004321288 204037519 /nfs/dbraw/zinc/03/75/19/204037519.db2.gz QEXCNGGTLIAAEC-IBGZPJMESA-N 0 0 396.487 5.220 50 30 GKEARN C[C@H](C#N)OC(=O)c1c2ccccc2nc2c1C[C@H](C)C/C2=C\c1ccccc1 ZINC000004340754 204039360 /nfs/dbraw/zinc/03/93/60/204039360.db2.gz JEXWBLFHMKTLOH-GORXNEINSA-N 0 0 382.463 5.427 50 30 GKEARN Cc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2cccc(C)c2)cc1 ZINC000004365662 204042442 /nfs/dbraw/zinc/04/24/42/204042442.db2.gz OTVYHYCQPULSMU-UHFFFAOYSA-N 0 0 396.519 5.715 50 30 GKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1C ZINC000003657127 204018035 /nfs/dbraw/zinc/01/80/35/204018035.db2.gz TUHHONMQMWQSOP-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004032162 204024461 /nfs/dbraw/zinc/02/44/61/204024461.db2.gz ITBNVEMZHCUOTP-JOCHJYFZSA-N 0 0 393.527 5.085 50 30 GKEARN N#Cc1c2c(c(-c3ccccc3)nc1SCc1c(F)cccc1Cl)CCC2 ZINC000004051662 204024585 /nfs/dbraw/zinc/02/45/85/204024585.db2.gz JIAZVEDGIMSLGF-UHFFFAOYSA-N 0 0 394.902 6.194 50 30 GKEARN CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)c3c(c2C#N)CCC3)cc1 ZINC000004051665 204025063 /nfs/dbraw/zinc/02/50/63/204025063.db2.gz ZSLKCGMYUKKNDN-UHFFFAOYSA-N 0 0 398.575 6.699 50 30 GKEARN O=c1c(/N=C/c2ccccc2)cc2[nH]c3ccccc3c2n1-c1ccc(Cl)cc1 ZINC000004143890 204028710 /nfs/dbraw/zinc/02/87/10/204028710.db2.gz MVYBIZHENACYCM-CVKSISIWSA-N 0 0 397.865 5.876 50 30 GKEARN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000004181727 204031051 /nfs/dbraw/zinc/03/10/51/204031051.db2.gz DBKKKIRVRISFJD-XGTJUPEUSA-N 0 0 394.518 6.581 50 30 GKEARN N#Cc1ccccc1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000004183559 204031513 /nfs/dbraw/zinc/03/15/13/204031513.db2.gz LUNWNQNBJRCYJU-AFUMVMLFSA-N 0 0 383.842 5.268 50 30 GKEARN CCCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)cc1 ZINC000004184833 204031676 /nfs/dbraw/zinc/03/16/76/204031676.db2.gz MESQCURKPISADT-QHCPKHFHSA-N 0 0 384.479 5.588 50 30 GKEARN N#Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000004211946 204032622 /nfs/dbraw/zinc/03/26/22/204032622.db2.gz JEQMEBWQFYAPPP-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000004712939 204067796 /nfs/dbraw/zinc/06/77/96/204067796.db2.gz IPDOZXNMKSRPHL-VDSIAQTOSA-N 0 0 399.519 5.076 50 30 GKEARN Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c(O)ccc2ccccc21 ZINC000004737221 204070438 /nfs/dbraw/zinc/07/04/38/204070438.db2.gz PKBNJSJSPMKRPH-STBIYBPSSA-N 0 0 395.546 7.072 50 30 GKEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794665 204076939 /nfs/dbraw/zinc/07/69/39/204076939.db2.gz LOOBXMJSRWCHEY-HXUWFJFHSA-N 0 0 381.447 5.044 50 30 GKEARN CCc1ccc([C@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794670 204077511 /nfs/dbraw/zinc/07/75/11/204077511.db2.gz GZONZNFLNJIFAX-JOCHJYFZSA-N 0 0 391.511 5.467 50 30 GKEARN Cc1c2c(c(C)n1N=CC1=CC(=[NH+][N-]c3ccccc3)C=CC1=O)c(C)nnc2C ZINC000004811779 204077716 /nfs/dbraw/zinc/07/77/16/204077716.db2.gz ULYVTNIUEFRVMK-AHTYHGOYSA-N 0 0 398.470 5.668 50 30 GKEARN COc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004828149 204079435 /nfs/dbraw/zinc/07/94/35/204079435.db2.gz NJVILOJEFJEWTP-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN Fc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000004862789 204083703 /nfs/dbraw/zinc/08/37/03/204083703.db2.gz CUTLVVATCCKSDH-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc(C#N)cc2)cc1 ZINC000004865249 204084026 /nfs/dbraw/zinc/08/40/26/204084026.db2.gz JXJFUMAWBVAWQU-UHFFFAOYSA-N 0 0 383.476 5.181 50 30 GKEARN Brc1ccc(COc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000004421373 204044731 /nfs/dbraw/zinc/04/47/31/204044731.db2.gz IZGDSXGYONMWFG-HYARGMPZSA-N 0 0 381.273 5.474 50 30 GKEARN N#Cc1c(Cl)nc(N=NCc2ccc(Cl)cc2Cl)c(Cl)c1Cl ZINC000004481785 204047110 /nfs/dbraw/zinc/04/71/10/204047110.db2.gz ZGPYOLWZXZWDDE-DENHBWNVSA-N 0 0 394.476 5.666 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000004591280 204055854 /nfs/dbraw/zinc/05/58/54/204055854.db2.gz CPNGSYBRLCPLKV-KEBDBYFISA-N 0 0 376.199 5.608 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000004663375 204060592 /nfs/dbraw/zinc/06/05/92/204060592.db2.gz PKETZANZSOHIEC-FQRUVTKNSA-N 0 0 380.491 5.975 50 30 GKEARN CC(C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl)=Cc1ccco1 ZINC000004680221 204063410 /nfs/dbraw/zinc/06/34/10/204063410.db2.gz HXEUGDRRCDQWDP-CNBQOGPHSA-N 0 0 379.272 5.071 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000005090765 204110269 /nfs/dbraw/zinc/11/02/69/204110269.db2.gz BUBOLLTWIXGDEY-NIYFSFCBSA-N 0 0 396.490 5.680 50 30 GKEARN CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC ZINC000005127616 204113533 /nfs/dbraw/zinc/11/35/33/204113533.db2.gz KHYLYIOOGBWNLE-QPJJXVBHSA-N 0 0 397.215 5.031 50 30 GKEARN Cc1ccc(NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl ZINC000005173493 204116711 /nfs/dbraw/zinc/11/67/11/204116711.db2.gz VZQXQLDOAMLDKO-UFFVCSGVSA-N 0 0 390.226 5.916 50 30 GKEARN CCCOc1cc(N(CC)CC)ccc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000005261273 204122109 /nfs/dbraw/zinc/12/21/09/204122109.db2.gz DGNOKZLIDJYHDL-PCLIKHOPSA-N 0 0 395.572 5.884 50 30 GKEARN Cc1cc(N=NC(C)c2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000004947400 204095658 /nfs/dbraw/zinc/09/56/58/204095658.db2.gz PJXNANSWABIPKV-OEAKJJBVSA-N 0 0 381.277 5.051 50 30 GKEARN Fc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000004974129 204098091 /nfs/dbraw/zinc/09/80/91/204098091.db2.gz PMURFKZFVBDTJR-YDZHTSKRSA-N 0 0 377.444 5.460 50 30 GKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)c1 ZINC000004973557 204098514 /nfs/dbraw/zinc/09/85/14/204098514.db2.gz MFAWMWGIMDIRIC-AVRWGWEMSA-N 0 0 397.478 5.070 50 30 GKEARN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000004974061 204098694 /nfs/dbraw/zinc/09/86/94/204098694.db2.gz XSALZWDWAAROQM-MFKUBSTISA-N 0 0 386.480 5.385 50 30 GKEARN CC(C)c1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005862643 204153699 /nfs/dbraw/zinc/15/36/99/204153699.db2.gz NEWJDOMSZYYCAM-MRXNPFEDSA-N 0 0 393.339 5.579 50 30 GKEARN C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1)c1ccccc1O ZINC000005975555 204159948 /nfs/dbraw/zinc/15/99/48/204159948.db2.gz FSGZUKVYUMFMOF-PFRKPPGBSA-N 0 0 391.858 5.036 50 30 GKEARN CCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCCCC)cc2)cc1 ZINC000006130005 204166806 /nfs/dbraw/zinc/16/68/06/204166806.db2.gz MKPUCYFWMJISAK-NCELDCMTSA-N 0 0 381.516 6.353 50 30 GKEARN CC1(C)CC2=C3C(=NC(=Nc4ccccc4)S[C@@]34CC(C)(C)C[C@@](C)(C2)C4)C1 ZINC000005424583 204132358 /nfs/dbraw/zinc/13/23/58/204132358.db2.gz WGZZZYOQQKPNIG-JWQCQUIFSA-N 0 0 392.612 6.980 50 30 GKEARN Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)cc1 ZINC000005478339 204135277 /nfs/dbraw/zinc/13/52/77/204135277.db2.gz FARMVCYOPGXOGM-UHFFFAOYSA-N 0 0 386.480 5.059 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005596005 204141408 /nfs/dbraw/zinc/14/14/08/204141408.db2.gz DDCCYGYPRUDTEH-FQEVSTJZSA-N 0 0 389.838 5.123 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3C)sc2C1 ZINC000005614603 204142878 /nfs/dbraw/zinc/14/28/78/204142878.db2.gz FAJXBIGYEZBVJN-INIZCTEOSA-N 0 0 396.556 5.487 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@@H]1CCCC[C@@H]1O ZINC000005660626 204143984 /nfs/dbraw/zinc/14/39/84/204143984.db2.gz YYBVSBOQJAUGGP-XZOQPEGZSA-N 0 0 386.520 5.683 50 30 GKEARN c1ccc(-c2c3ccc4ccccc4c3n(C[C@@H]3CO3)c2-c2ccccc2)cc1 ZINC000005660619 204144258 /nfs/dbraw/zinc/14/42/58/204144258.db2.gz QBGSYRNMDJJQCY-JOCHJYFZSA-N 0 0 375.471 6.527 50 30 GKEARN O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccnc1 ZINC000005659167 204144786 /nfs/dbraw/zinc/14/47/86/204144786.db2.gz IVDXEPITUWEUJD-OBGWFSINSA-N 0 0 376.459 6.448 50 30 GKEARN COc1cccc(-c2nc(CSc3nc(C)cc(C)c3C#N)cs2)c1OC ZINC000005643487 204144852 /nfs/dbraw/zinc/14/48/52/204144852.db2.gz FJOFZKKGTZZGCZ-UHFFFAOYSA-N 0 0 397.525 5.003 50 30 GKEARN Cc1c(Br)cccc1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005678020 204145911 /nfs/dbraw/zinc/14/59/11/204145911.db2.gz XLEIQCVPBLIPGB-RGVLZGJSSA-N 0 0 385.217 5.676 50 30 GKEARN Cc1cccc(N2CCN(C3=C(c4ccccc4)C(=O)c4ccccc43)CC2)c1C ZINC000006793650 204207306 /nfs/dbraw/zinc/20/73/06/204207306.db2.gz UJZMGFQAUOBCSJ-UHFFFAOYSA-N 0 0 394.518 5.190 50 30 GKEARN COc1ccc(C2=C(Nc3ccc(OC)c(Cl)c3)c3ccccc3C2=O)cc1 ZINC000006824538 204213019 /nfs/dbraw/zinc/21/30/19/204213019.db2.gz SMZZKTSSNHSXAL-UHFFFAOYSA-N 0 0 391.854 5.534 50 30 GKEARN C[C@@H](C#N)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1 ZINC000006839765 204214644 /nfs/dbraw/zinc/21/46/44/204214644.db2.gz QGADZCBUVUMSJM-LBPRGKRZSA-N 0 0 392.871 5.609 50 30 GKEARN Fc1ccc(C2N=NC(=S)N2N=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000006231396 204171768 /nfs/dbraw/zinc/17/17/68/204171768.db2.gz CSYVDBQSNYNJRL-AFUMVMLFSA-N 0 0 398.466 5.562 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000006275849 204173408 /nfs/dbraw/zinc/17/34/08/204173408.db2.gz CUEBUKDKPBFHLC-QFIPXVFZSA-N 0 0 391.471 5.434 50 30 GKEARN N#Cc1ccc(/C=C/c2cc(-c3ccccc3)n3c4ccccc4nc3c2C#N)cc1 ZINC000006648487 204187432 /nfs/dbraw/zinc/18/74/32/204187432.db2.gz GEVXDINXBVIQTO-CCEZHUSRSA-N 0 0 396.453 6.068 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)[C@]1(C)Cc1ccccc1 ZINC000006628225 204187828 /nfs/dbraw/zinc/18/78/28/204187828.db2.gz HEIJAGVZSNYRBA-RUZDIDTESA-N 0 0 399.563 5.730 50 30 GKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000006720433 204194892 /nfs/dbraw/zinc/19/48/92/204194892.db2.gz UBEMHKNYXHUKAX-DEOSSOPVSA-N 0 0 392.474 5.523 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1cccc3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000006897599 204222886 /nfs/dbraw/zinc/22/28/86/204222886.db2.gz GGYOUEFSTAZEFW-SANMLTNESA-N 0 0 396.534 6.679 50 30 GKEARN O=C1NC(=Nc2cccc(Br)c2)SC1=Cc1c[nH]c2ccccc12 ZINC000006931997 204225614 /nfs/dbraw/zinc/22/56/14/204225614.db2.gz OUMVWNZVRDEBFS-PXNMLYILSA-N 0 0 398.285 5.662 50 30 GKEARN Cc1ccc(-c2cc(-c3nnc(SCCC#N)n3C)c3ccccc3n2)cc1 ZINC000007236060 204236088 /nfs/dbraw/zinc/23/60/88/204236088.db2.gz JICYVFPBHPZJQQ-UHFFFAOYSA-N 0 0 385.496 5.012 50 30 GKEARN CC[C@H](C)Cc1c(C)sc2[nH]c(CSCc3ccc(C#N)cc3)nc(=O)c12 ZINC000007809599 204251247 /nfs/dbraw/zinc/25/12/47/204251247.db2.gz DBCVGLONRFJFCY-ZDUSSCGKSA-N 0 0 397.569 5.187 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)cc1 ZINC000008844488 204291718 /nfs/dbraw/zinc/29/17/18/204291718.db2.gz OPXYKIWEPCAGAM-UHFFFAOYSA-N 0 0 385.423 5.306 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008396398 204275145 /nfs/dbraw/zinc/27/51/45/204275145.db2.gz SUDPYGCLNHFYFV-UHFFFAOYSA-N 0 0 385.552 5.344 50 30 GKEARN CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)N=C2c3ccccc3C(=O)C21 ZINC000008462425 204276275 /nfs/dbraw/zinc/27/62/75/204276275.db2.gz CTZQOXBYLRRAIB-OAQYLSRUSA-N 0 0 399.490 5.598 50 30 GKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2)n1 ZINC000009421985 204311443 /nfs/dbraw/zinc/31/14/43/204311443.db2.gz DWWDCWBNZRFVTF-UHFFFAOYSA-N 0 0 384.854 6.215 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000009833742 204325373 /nfs/dbraw/zinc/32/53/73/204325373.db2.gz BJTVYUUZJVTNIM-UHFFFAOYSA-N 0 0 380.476 5.370 50 30 GKEARN Cc1nc(CSc2ccccc2C(=O)OCc2ccc(C#N)cc2F)cs1 ZINC000010574540 204337332 /nfs/dbraw/zinc/33/73/32/204337332.db2.gz UJLNPVITRVUENJ-UHFFFAOYSA-N 0 0 398.484 5.112 50 30 GKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(C)cc3)=NC2=O)c2ccccc21 ZINC000000654934 209167192 /nfs/dbraw/zinc/16/71/92/209167192.db2.gz FYIPNABTPRWGLB-STZFKDTASA-N 0 0 387.508 5.527 50 30 GKEARN C=C(C)COc1cc2c(cc1Br)oc(C(C)(C)C)c2C(=O)OCC ZINC000000728024 209167328 /nfs/dbraw/zinc/16/73/28/209167328.db2.gz ICORCEKGLIFLCG-UHFFFAOYSA-N 0 0 395.293 5.624 50 30 GKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)SC1=S ZINC000001186785 209169237 /nfs/dbraw/zinc/16/92/37/209169237.db2.gz CHZRANMSTGMDRP-UYRXBGFRSA-N 0 0 382.554 5.044 50 30 GKEARN C=CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002297679 209168893 /nfs/dbraw/zinc/16/88/93/209168893.db2.gz GTJRFBCEBJKWMB-UHFFFAOYSA-N 0 0 385.558 5.492 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 ZINC000002066423 209168818 /nfs/dbraw/zinc/16/88/18/209168818.db2.gz PPDMIIRSWCWLHN-UHFFFAOYSA-N 0 0 396.581 5.693 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc(C)cc2c1=O ZINC000001133568 209168709 /nfs/dbraw/zinc/16/87/09/209168709.db2.gz IVYOMVXERCFUAQ-UHFFFAOYSA-N 0 0 397.352 5.552 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000002275952 209168230 /nfs/dbraw/zinc/16/82/30/209168230.db2.gz JDXUQJAOLVIPFK-UHFFFAOYSA-N 0 0 382.554 5.384 50 30 GKEARN C#CCOc1ccccc1CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000007988735 209160965 /nfs/dbraw/zinc/16/09/65/209160965.db2.gz ZGFJRYLZAHOKSZ-HSZRJFAPSA-N 0 0 393.433 5.179 50 30 GKEARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Sc1nc(C)cc(C)c1C#N ZINC000019897626 204691698 /nfs/dbraw/zinc/69/16/98/204691698.db2.gz DSOGFMBKMMOJIW-UHFFFAOYSA-N 0 0 397.887 5.100 50 30 GKEARN Cc1cc(C)cc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)c1 ZINC000036349801 205012157 /nfs/dbraw/zinc/01/21/57/205012157.db2.gz IXIYPBNQVIIRON-UHFFFAOYSA-N 0 0 389.524 6.173 50 30 GKEARN Cc1ccccc1Oc1cc(C(C)C)nc(SCc2cccc(C#N)c2)n1 ZINC000036349824 205012500 /nfs/dbraw/zinc/01/25/00/205012500.db2.gz XCKKJRPXYNBLMF-UHFFFAOYSA-N 0 0 375.497 5.865 50 30 GKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000006078801 209141833 /nfs/dbraw/zinc/14/18/33/209141833.db2.gz FCCPVVGMMWZYQP-XMHGGMMESA-N 0 0 397.521 5.056 50 30 GKEARN C=CCSC1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883134 209141036 /nfs/dbraw/zinc/14/10/36/209141036.db2.gz LCAMLYSBJLNBMF-QGOAFFKASA-N 0 0 382.916 5.620 50 30 GKEARN C=CCc1ccccc1Oc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000005562581 209141115 /nfs/dbraw/zinc/14/11/15/209141115.db2.gz BDVSKISMAFLZNC-UHFFFAOYSA-N 0 0 384.435 5.532 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000004368001 209137506 /nfs/dbraw/zinc/13/75/06/209137506.db2.gz AWANRNLPVLXUCH-AZGAKELHSA-N 0 0 396.490 5.802 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 ZINC000044858695 205088313 /nfs/dbraw/zinc/08/83/13/205088313.db2.gz BKYBLPSHHUBHNL-UHFFFAOYSA-N 0 0 384.903 5.740 50 30 GKEARN N#Cc1ccsc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1F ZINC000058263841 205170260 /nfs/dbraw/zinc/17/02/60/205170260.db2.gz FEQADCMVXXXUQM-UHFFFAOYSA-N 0 0 390.361 5.697 50 30 GKEARN c1sc(N=NCc2c3ccccc3cc3ccccc32)nc1-c1ccccc1 ZINC000004475327 209121322 /nfs/dbraw/zinc/12/13/22/209121322.db2.gz LQCSFUFHRNBLEU-MFKUBSTISA-N 0 0 379.488 6.563 50 30 GKEARN COC(=O)c1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1 ZINC000067317275 205245932 /nfs/dbraw/zinc/24/59/32/205245932.db2.gz QPPBLBZPJNMFFO-PCLIKHOPSA-N 0 0 381.435 5.077 50 30 GKEARN CCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000072175944 205317384 /nfs/dbraw/zinc/31/73/84/205317384.db2.gz PUNOCEUUYUXUGR-UHFFFAOYSA-N 0 0 376.625 8.292 50 30 endogenous,in-man GKEARN Cn1cc(-c2nc3cc(C#N)ccc3[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072478643 205353700 /nfs/dbraw/zinc/35/37/00/205353700.db2.gz YGQZWCJUPCXAIA-UHFFFAOYSA-N 0 0 391.434 5.294 50 30 GKEARN Cc1cc(O)ccc1NC=Cc1onc(-c2c(Cl)cccc2Cl)c1C#N ZINC000100108085 205604605 /nfs/dbraw/zinc/60/46/05/205604605.db2.gz BSCPRQHWIHHHEX-BQYQJAHWSA-N 0 0 386.238 5.617 50 30 GKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)C12CCCC2 ZINC000005678942 205772521 /nfs/dbraw/zinc/77/25/21/205772521.db2.gz NKMRYTQQSATVMR-UHFFFAOYSA-N 0 0 397.975 5.948 50 30 GKEARN C=C(C)C(=O)Nc1sc(C)c(-c2ccc(C(C)(C)C)cc2)c1C(=O)OC(C)C ZINC000002775221 205927094 /nfs/dbraw/zinc/92/70/94/205927094.db2.gz FISKMLOSTAFNDJ-UHFFFAOYSA-N 0 0 399.556 6.101 50 30 GKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]21C ZINC000257347353 206182679 /nfs/dbraw/zinc/18/26/79/206182679.db2.gz FXRYPRSTXONWAP-TZLALNBOSA-N 0 0 388.592 5.612 50 30 GKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004184238 206227285 /nfs/dbraw/zinc/22/72/85/206227285.db2.gz XIOHHPKZKILMLK-ZCYQVOJMSA-N 0 0 382.463 5.494 50 30 GKEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000004663763 206227660 /nfs/dbraw/zinc/22/76/60/206227660.db2.gz FKLCSLHXBQLWSA-XSFVSMFZSA-N 0 0 392.524 5.061 50 30 GKEARN C=C(C)CSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 ZINC000005066925 206228944 /nfs/dbraw/zinc/22/89/44/206228944.db2.gz SWFGMYIUTSFYCU-UHFFFAOYSA-N 0 0 394.584 5.602 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000012194167 206245443 /nfs/dbraw/zinc/24/54/43/206245443.db2.gz AWANRNLPVLXUCH-RSXGOPAZSA-N 0 0 396.490 5.802 50 30 GKEARN CCCCn1nc(C)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1Cl ZINC000012782838 206245856 /nfs/dbraw/zinc/24/58/56/206245856.db2.gz ALBHULODQAYGQN-UHFFFAOYSA-N 0 0 391.902 5.297 50 30 GKEARN CC#CCOc1ccc(CN(C(=O)c2ccc3ccccc3n2)C2CCCC2)cc1 ZINC000012041666 206246062 /nfs/dbraw/zinc/24/60/62/206246062.db2.gz ACVGUDAQJMCOTM-UHFFFAOYSA-N 0 0 398.506 5.222 50 30 GKEARN C=CCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000006510585 206229834 /nfs/dbraw/zinc/22/98/34/206229834.db2.gz DJHPPZMJOOBPLN-UHFFFAOYSA-N 0 0 399.859 5.205 50 30 GKEARN C=CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)c1 ZINC000015015711 206247095 /nfs/dbraw/zinc/24/70/95/206247095.db2.gz PUKGHUXPNZRMAT-HSZRJFAPSA-N 0 0 397.478 5.410 50 30 GKEARN C=CCn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O ZINC000002507063 206249843 /nfs/dbraw/zinc/24/98/43/206249843.db2.gz ISEAFOTXLOGQFQ-UHFFFAOYSA-N 0 0 379.419 5.058 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000002298096 206249927 /nfs/dbraw/zinc/24/99/27/206249927.db2.gz QKXOADDWWODRFX-HNNXBMFYSA-N 0 0 396.581 5.864 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002371205 206250272 /nfs/dbraw/zinc/25/02/72/206250272.db2.gz GZRMGMYHQLXFJM-ATVHPVEESA-N 0 0 387.913 5.311 50 30 GKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(-n2nncc2-c2ccccc2)cc1 ZINC000005775822 211569464 /nfs/dbraw/zinc/56/94/64/211569464.db2.gz XKEWTYWFCOAEBR-OVCLIPMQSA-N 0 0 385.854 5.484 50 30 GKEARN C=C(C)COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000096902110 206301598 /nfs/dbraw/zinc/30/15/98/206301598.db2.gz IEWWFTJUALJWJO-UHFFFAOYSA-N 0 0 386.373 5.490 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000630990 206309013 /nfs/dbraw/zinc/30/90/13/206309013.db2.gz ZWMXPQJDDQYUEK-AVRWGWEMSA-N 0 0 384.454 5.805 50 30 GKEARN N#C[C@]1(Cc2ccc(Cl)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000629047 206309349 /nfs/dbraw/zinc/30/93/49/206309349.db2.gz OOAILIORQKTLIT-XMMPIXPASA-N 0 0 384.866 5.428 50 30 aggregator GKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000630820 206310028 /nfs/dbraw/zinc/31/00/28/206310028.db2.gz FKEJPUCYCPOZMU-BCHFMIIMSA-N 0 0 396.490 5.675 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000000647651 206311473 /nfs/dbraw/zinc/31/14/73/206311473.db2.gz OSSYWOWQEYISMM-QHCPKHFHSA-N 0 0 397.474 5.769 50 30 GKEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000000669910 206314610 /nfs/dbraw/zinc/31/46/10/206314610.db2.gz BVMKXPSKQSOHNV-LPYMAVHISA-N 0 0 395.256 5.158 50 30 GKEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3OC)sc2C1 ZINC000000689170 206316677 /nfs/dbraw/zinc/31/66/77/206316677.db2.gz UPWQZLRFXCILEU-GFCCVEGCSA-N 0 0 388.920 5.439 50 30 GKEARN Cc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000709541 206317568 /nfs/dbraw/zinc/31/75/68/206317568.db2.gz SYXIJVMPCKGWHN-IBVKSMDESA-N 0 0 380.491 5.975 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(ccc3ncccc31)N2 ZINC000000718252 206319128 /nfs/dbraw/zinc/31/91/28/206319128.db2.gz NIHBAPUSELJTSH-HXUWFJFHSA-N 0 0 395.289 6.106 50 30 GKEARN Cc1ccc(C)c(/N=C/c2c(=O)n3ccccc3nc2Nc2cc(C)ccc2C)c1 ZINC000000793222 206321511 /nfs/dbraw/zinc/32/15/11/206321511.db2.gz UQGHNTKQRLHJEZ-CVKSISIWSA-N 0 0 396.494 5.422 50 30 GKEARN CCOc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000000816092 206324417 /nfs/dbraw/zinc/32/44/17/206324417.db2.gz MHJBWKKYRYFRMU-QFIPXVFZSA-N 0 0 391.467 5.015 50 30 GKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000816105 206324567 /nfs/dbraw/zinc/32/45/67/206324567.db2.gz VUACYRVXLVZVEM-OAQYLSRUSA-N 0 0 381.447 5.044 50 30 GKEARN Cc1ccccc1/N=C1\S[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000855924 206327429 /nfs/dbraw/zinc/32/74/29/206327429.db2.gz APVRCLTWNMVBFB-PLGGJAHISA-N 0 0 394.327 5.959 50 30 GKEARN COC(=O)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000000912730 206333485 /nfs/dbraw/zinc/33/34/85/206333485.db2.gz NGKIFXDWBMJNPB-HSZRJFAPSA-N 0 0 399.471 5.340 50 30 GKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(F)cc1 ZINC000000985691 206338523 /nfs/dbraw/zinc/33/85/23/206338523.db2.gz PBYKDHBMTIGAPX-XMHGGMMESA-N 0 0 388.438 5.626 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)s1 ZINC000000989961 206339317 /nfs/dbraw/zinc/33/93/17/206339317.db2.gz AKVCEPKJFDRXNS-YDZHTSKRSA-N 0 0 399.431 6.368 50 30 GKEARN Cc1sc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c(C#N)c1C ZINC000001001274 206340880 /nfs/dbraw/zinc/34/08/80/206340880.db2.gz XGOVAMWIADETSQ-UHFFFAOYSA-N 0 0 389.505 5.766 50 30 GKEARN O=C1c2ccccc2C(=O)C(Oc2cc(Cl)c(Cl)cc2Cl)=C1Cl ZINC000001036823 206344649 /nfs/dbraw/zinc/34/46/49/206344649.db2.gz ZFBYNRLQXMCZPT-UHFFFAOYSA-N 0 0 388.033 5.555 50 30 GKEARN Cn1c2ccccc2c2c1CCC/C2=N\OC(=O)c1c(Cl)cccc1Cl ZINC000001036896 206344801 /nfs/dbraw/zinc/34/48/01/206344801.db2.gz IJKRPECELRWIQE-HZHRSRAPSA-N 0 0 387.266 5.383 50 30 GKEARN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000001059412 206346487 /nfs/dbraw/zinc/34/64/87/206346487.db2.gz OSFZQNVLAMMVOQ-MMTYYTLLSA-N 0 0 382.529 5.539 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001066178 206348295 /nfs/dbraw/zinc/34/82/95/206348295.db2.gz NMFSZHCMHWNBFU-HXUWFJFHSA-N 0 0 399.556 5.228 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000001068016 206349100 /nfs/dbraw/zinc/34/91/00/206349100.db2.gz YJMNXFXVEFSOHT-CMJOXMDJSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001079608 206349315 /nfs/dbraw/zinc/34/93/15/206349315.db2.gz VARHKNLJRWRLBV-QGZVFWFLSA-N 0 0 395.449 5.437 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001076888 206349540 /nfs/dbraw/zinc/34/95/40/206349540.db2.gz ZTFPMUGGAUJJRF-AFMDSPMNSA-N 0 0 398.481 6.114 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)C[C@@H]2c1ccsc1 ZINC000001080464 206351246 /nfs/dbraw/zinc/35/12/46/206351246.db2.gz HCGYGQJSGKLHMW-MRXNPFEDSA-N 0 0 385.916 5.565 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccccc1Cl ZINC000001080100 206351450 /nfs/dbraw/zinc/35/14/50/206351450.db2.gz IKEMJRSYRNKBGK-KRWDZBQOSA-N 0 0 397.877 5.643 50 30 GKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001301632 206372311 /nfs/dbraw/zinc/37/23/11/206372311.db2.gz IVFILELFLSEDSJ-RUZDIDTESA-N 0 0 399.490 5.864 50 30 GKEARN Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C(C#N)C#N)cc1 ZINC000001445614 206382410 /nfs/dbraw/zinc/38/24/10/206382410.db2.gz UHLJGOQBZSPDSD-ILBGXUMGSA-N 0 0 396.515 5.786 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccco3)C12 ZINC000001460142 206383480 /nfs/dbraw/zinc/38/34/80/206383480.db2.gz UKSUOTLCMBNMLL-WNSKOXEYSA-N 0 0 399.425 5.184 50 30 GKEARN Cc1sc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c(C#N)c1C ZINC000001200401 206366222 /nfs/dbraw/zinc/36/62/22/206366222.db2.gz GIUXRCPNILOYDP-UHFFFAOYSA-N 0 0 397.503 6.013 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000001268469 206370297 /nfs/dbraw/zinc/37/02/97/206370297.db2.gz YWPCPNTZSOAHFV-GFCCVEGCSA-N 0 0 380.900 5.803 50 30 GKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000001881358 206393258 /nfs/dbraw/zinc/39/32/58/206393258.db2.gz ONMLUYYOXKOWEP-MFKUBSTISA-N 0 0 393.402 6.307 50 30 GKEARN CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000001997864 206395942 /nfs/dbraw/zinc/39/59/42/206395942.db2.gz FJDPATXIBIBRIM-FKBYEOEOSA-N 0 0 375.468 5.825 50 30 in-man GKEARN CCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000002049885 206396329 /nfs/dbraw/zinc/39/63/29/206396329.db2.gz WEYREPMEEVVHCE-UHFFFAOYSA-N 0 0 383.491 6.567 50 30 GKEARN CC(C)CCOc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000002072731 206396907 /nfs/dbraw/zinc/39/69/07/206396907.db2.gz TVOHQERLHUDKHM-OVVQPSECSA-N 0 0 397.522 6.260 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(Br)c(C(F)(F)F)c2)c1O ZINC000002067713 206396994 /nfs/dbraw/zinc/39/69/94/206396994.db2.gz ATQVTCHONHKJFB-ZVBGSRNCSA-N 0 0 388.183 5.323 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4c(O)ccc5ccccc54)c3)nc2c1 ZINC000002071794 206397558 /nfs/dbraw/zinc/39/75/58/206397558.db2.gz DOLLWEPLLMZTQP-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/c4c(Cl)cccc4Cl)ccc3o2)cc1 ZINC000002053659 206397569 /nfs/dbraw/zinc/39/75/69/206397569.db2.gz YPRKQYGICHCKIX-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN CCOC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1 ZINC000002281104 206406816 /nfs/dbraw/zinc/40/68/16/206406816.db2.gz BXFFTZSULWCUHZ-UHFFFAOYSA-N 0 0 395.462 5.358 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000002742394 206432447 /nfs/dbraw/zinc/43/24/47/206432447.db2.gz XUXSZQIQNGLJAX-AWEZNQCLSA-N 0 0 386.948 6.067 50 30 GKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(Cl)c1 ZINC000002756765 206432918 /nfs/dbraw/zinc/43/29/18/206432918.db2.gz YPIJZUIYLBKYHI-CGKKIJBTSA-N 0 0 393.273 7.217 50 30 GKEARN CCc1c(C)scc1C(=O)Nc1scc(-c2cc(C)ccc2C)c1C#N ZINC000002755048 206432926 /nfs/dbraw/zinc/43/29/26/206432926.db2.gz BSFBHHDZNQJLDW-UHFFFAOYSA-N 0 0 380.538 6.088 50 30 GKEARN Cc1cc(-c2ccc(/N=C/c3ccccc3)c(C)c2)ccc1/N=C/c1ccccc1 ZINC000002831986 206438854 /nfs/dbraw/zinc/43/88/54/206438854.db2.gz PRHMEWBJVZJBEX-CZYCKNNWSA-N 0 0 388.514 7.472 50 30 GKEARN N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCCC2 ZINC000002679652 206428587 /nfs/dbraw/zinc/42/85/87/206428587.db2.gz SEBOYKYRVIPCAC-UHFFFAOYSA-N 0 0 386.520 5.659 50 30 GKEARN COc1ccc([C@@H](c2ccc(Cl)cc2)[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000003086247 206457917 /nfs/dbraw/zinc/45/79/17/206457917.db2.gz SPFDCCGTBRZWAV-FGZHOGPDSA-N 0 0 382.290 6.441 50 30 GKEARN O=C(Nc1ccc(C(F)(F)F)cc1)O/N=C/c1ccc(Cl)cc1Cl ZINC000003135303 206459571 /nfs/dbraw/zinc/45/95/71/206459571.db2.gz CBORAUOUCJXRJD-ODCIPOBUSA-N 0 0 377.149 5.595 50 30 GKEARN Cc1cc(O)c(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c(C)c1Cl ZINC000003140380 206460056 /nfs/dbraw/zinc/46/00/56/206460056.db2.gz NXYGTDFUZSZPEH-BHGWPJFGSA-N 0 0 377.831 5.616 50 30 GKEARN Cc1ccc(-n2cnc3cc(/N=C/c4ccc(Br)cc4)ccc32)cc1 ZINC000003173974 206460574 /nfs/dbraw/zinc/46/05/74/206460574.db2.gz LGDZZRVWDNVQMI-YDZHTSKRSA-N 0 0 390.284 5.847 50 30 GKEARN CCN(CC)c1nc(SCc2ccccc2)nc(-c2ccc(C)cc2)c1C#N ZINC000004042145 206500075 /nfs/dbraw/zinc/50/00/75/206500075.db2.gz MCMDLUSERIVMNX-UHFFFAOYSA-N 0 0 388.540 5.462 50 30 GKEARN C=CCc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc32)c(OC)c1 ZINC000001061212 211502405 /nfs/dbraw/zinc/50/24/05/211502405.db2.gz JQHWPLAYDVPCTF-UHFFFAOYSA-N 0 0 382.463 6.135 50 30 GKEARN CCOc1ccc(/C=C2\CC(CC)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000004826622 206558550 /nfs/dbraw/zinc/55/85/50/206558550.db2.gz DBKQCMQFPJSIHK-SKWBHROBSA-N 0 0 390.523 6.340 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccc(F)cc1 ZINC000004832112 206558620 /nfs/dbraw/zinc/55/86/20/206558620.db2.gz KDHIIMKXZCBSDJ-MZJWZYIUSA-N 0 0 390.849 5.925 50 30 GKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccco1)N2 ZINC000005092525 206591000 /nfs/dbraw/zinc/59/10/00/206591000.db2.gz QHMYZMIWFOFJGF-HSZRJFAPSA-N 0 0 384.435 5.096 50 30 GKEARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 ZINC000005590035 206619860 /nfs/dbraw/zinc/61/98/60/206619860.db2.gz AUCYDBVFGISHQR-AFEQLLIESA-N 0 0 396.277 5.594 50 30 GKEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c(Cl)c1 ZINC000005605076 206621258 /nfs/dbraw/zinc/62/12/58/206621258.db2.gz ZDYCSQDMYPWULG-KEBDBYFISA-N 0 0 398.831 5.564 50 30 GKEARN COc1ccc2c(c1)[C@H](C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 ZINC000101202466 211396755 /nfs/dbraw/zinc/39/67/55/211396755.db2.gz JRVWXXVRFDVNST-HXUWFJFHSA-N 0 0 396.483 5.016 50 30 GKEARN N#Cc1c(/N=C/c2ccccc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1 ZINC000100912844 211393118 /nfs/dbraw/zinc/39/31/18/211393118.db2.gz CJSZUCRDLBECEE-WGOQTCKBSA-N 0 0 393.402 6.144 50 30 GKEARN N#Cc1c(C=CNc2cc(Cl)cc(Cl)c2)onc1-c1ccccc1Cl ZINC000100394988 211387187 /nfs/dbraw/zinc/38/71/87/211387187.db2.gz YZAKGFQAPDMGRC-AATRIKPKSA-N 0 0 390.657 6.256 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000097105040 211358776 /nfs/dbraw/zinc/35/87/76/211358776.db2.gz PPBRODYKQVLJPV-UWJYYQICSA-N 0 0 386.850 5.107 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)COC4)sc2C1 ZINC000089642977 211182032 /nfs/dbraw/zinc/18/20/32/211182032.db2.gz MSDAFKLPEKXMMV-MRXNPFEDSA-N 0 0 380.513 5.053 50 30 GKEARN O=C1NC(=Nc2ccccc2Br)SC1=Cc1c[nH]c2ccccc12 ZINC000006932027 206695308 /nfs/dbraw/zinc/69/53/08/206695308.db2.gz MUXWUAZAZVKTSL-SXGWCWSVSA-N 0 0 398.285 5.662 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2c(C)cccc2C)cc1 ZINC000008427387 206751911 /nfs/dbraw/zinc/75/19/11/206751911.db2.gz FYXFRWCADPLNHJ-UHFFFAOYSA-N 0 0 396.575 7.467 50 30 GKEARN CC1(C)[C@@H]2CC[C@@]1(C)C(=NN=C1NC(=O)C(=Cc3ccc(Cl)cc3)S1)C2 ZINC000008968549 206770083 /nfs/dbraw/zinc/77/00/83/206770083.db2.gz PYCCCDOXZRYTIF-USXBGQAZSA-N 0 0 387.936 5.942 50 30 GKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SC/C=C/c2ccccc2)n1 ZINC000009422667 206786495 /nfs/dbraw/zinc/78/64/95/206786495.db2.gz JJBLIZFRGKKKBG-JXMROGBWSA-N 0 0 376.447 6.075 50 30 GKEARN Cc1noc(/C=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)c1[N+](=O)[O-] ZINC000009239253 206779075 /nfs/dbraw/zinc/77/90/75/206779075.db2.gz MGHLZIGYIWWAQS-VAWYXSNFSA-N 0 0 398.422 5.245 50 30 GKEARN CCOc1ccc(/C=N/c2ccc3c(c2)c2nc4ccccc4nc2n3C)c(O)c1 ZINC000001511055 209330897 /nfs/dbraw/zinc/33/08/97/209330897.db2.gz JSIKZZWEDLGQBB-AFUMVMLFSA-N 0 0 396.450 5.130 50 30 GKEARN Cc1cccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O ZINC000015938478 207068249 /nfs/dbraw/zinc/06/82/49/207068249.db2.gz URXAHYOQAWYPDC-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN CCC(C)(C)C1C/C(=C\c2cccc(O)c2)C(=O)/C(=C\c2cccc(O)c2)C1 ZINC000015978649 207069291 /nfs/dbraw/zinc/06/92/91/207069291.db2.gz HNTYHZPKCWBXFS-UHWBUFEVSA-N 0 0 376.496 5.980 50 30 GKEARN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000015826370 207061984 /nfs/dbraw/zinc/06/19/84/207061984.db2.gz IZRNYTAMOWTTNQ-VWLOTQADSA-N 0 0 384.479 5.769 50 30 GKEARN CN(C)/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1 ZINC000017440288 207088909 /nfs/dbraw/zinc/08/89/09/207088909.db2.gz VCWADNDZBILDKZ-OVVQPSECSA-N 0 0 394.478 5.556 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018199305 207095972 /nfs/dbraw/zinc/09/59/72/207095972.db2.gz UESOHZFNLOWQFW-HSZRJFAPSA-N 0 0 398.510 5.085 50 30 GKEARN CSc1nc(Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820634 207164285 /nfs/dbraw/zinc/16/42/85/207164285.db2.gz RMCNXAPROKIPEC-UHFFFAOYSA-N 0 0 394.931 6.258 50 30 GKEARN O=C(/C=C/c1ccc(Br)cc1)/C=C/c1ccc(Br)cc1 ZINC000003106497 207339979 /nfs/dbraw/zinc/33/99/79/207339979.db2.gz WOPPTRDHNGHVRF-YDWXAUTNSA-N 0 0 392.090 5.507 50 30 GKEARN CCc1cc(Oc2ccccc2OC)nc(SCc2ccccc2C#N)n1 ZINC000037510348 207544703 /nfs/dbraw/zinc/54/47/03/207544703.db2.gz SSQCUXDVAPWVMX-UHFFFAOYSA-N 0 0 377.469 5.004 50 30 GKEARN CCc1nc(-c2ccc(-c3noc(-c4ccc(C#N)cc4F)n3)cc2)cs1 ZINC000064669183 207805434 /nfs/dbraw/zinc/80/54/34/207805434.db2.gz ONHLGJXFHSZVTM-UHFFFAOYSA-N 0 0 376.416 5.100 50 30 GKEARN N#Cc1c(Cl)nsc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000065492077 207871827 /nfs/dbraw/zinc/87/18/27/207871827.db2.gz SZKZANOYXTUSTL-UHFFFAOYSA-N 0 0 391.887 5.133 50 30 GKEARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000026324375 210494680 /nfs/dbraw/zinc/49/46/80/210494680.db2.gz HEDVXUMFTJEUMO-UHFFFAOYSA-N 0 0 397.478 5.462 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000097105038 208336428 /nfs/dbraw/zinc/33/64/28/208336428.db2.gz PPBRODYKQVLJPV-LAUBAEHRSA-N 0 0 386.850 5.107 50 30 GKEARN Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1F ZINC000101091878 208385488 /nfs/dbraw/zinc/38/54/88/208385488.db2.gz UBXFKDDJTXLMGS-UHFFFAOYSA-N 0 0 397.371 6.330 50 30 GKEARN N#Cc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c1 ZINC000023327989 210441143 /nfs/dbraw/zinc/44/11/43/210441143.db2.gz FLLDQCPEHQNQAZ-JOCHJYFZSA-N 0 0 387.870 5.391 50 30 GKEARN Cc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000000948985 208487928 /nfs/dbraw/zinc/48/79/28/208487928.db2.gz XTCQRCFOTOKLRV-UHFFFAOYSA-N 0 0 381.229 5.142 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccccc1Cl ZINC000001113167 208490696 /nfs/dbraw/zinc/49/06/96/208490696.db2.gz BOGBMQWABCZHNE-QHCPKHFHSA-N 0 0 388.898 6.198 50 30 GKEARN O=C(c1cccc(OC(F)F)c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211605 208508892 /nfs/dbraw/zinc/50/88/92/208508892.db2.gz BLAJWHUZTNIRAS-UHFFFAOYSA-N 0 0 399.462 5.914 50 30 GKEARN O=C(c1ccccc1)C1=C(c2ccccc2)O[C@H](c2ccc(Cl)cc2)OC1=O ZINC000002077805 208500892 /nfs/dbraw/zinc/50/08/92/208500892.db2.gz USKJNABXEIYYSE-QHCPKHFHSA-N 0 0 390.822 5.206 50 30 GKEARN COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820508 210300355 /nfs/dbraw/zinc/30/03/55/210300355.db2.gz VJFVLKGUOWIKQC-UHFFFAOYSA-N 0 0 396.903 5.451 50 30 GKEARN COC(=O)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000828709 220461833 /nfs/dbraw/zinc/46/18/33/220461833.db2.gz OVTMPSWIMRNODU-DEOSSOPVSA-N 0 0 383.447 5.300 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccc3ncccc3c12 ZINC000000848748 220461517 /nfs/dbraw/zinc/46/15/17/220461517.db2.gz NRPGYVCZRGAYHM-JOCHJYFZSA-N 0 0 395.289 6.215 50 30 GKEARN N#Cc1nc(Nc2cccc(Cl)c2)c(Nc2cccc(Cl)c2)nc1C#N ZINC000000946367 220470108 /nfs/dbraw/zinc/47/01/08/220470108.db2.gz FGMGKYWELHYRJE-UHFFFAOYSA-N 0 0 381.226 5.014 50 30 GKEARN COc1ccc([C@@H](CC#N)[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000984278 220472525 /nfs/dbraw/zinc/47/25/25/220472525.db2.gz MMKZAQPKWHJOGQ-HUUCEWRRSA-N 0 0 375.255 5.315 50 30 GKEARN N#Cc1cccc(CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 ZINC000001159448 220480621 /nfs/dbraw/zinc/48/06/21/220480621.db2.gz UQFNPBJADAERRP-UHFFFAOYSA-N 0 0 396.519 5.216 50 30 GKEARN O=C(Nc1ccccc1)C1C(=O)C[C@H](c2ccccc2)CC1=Nc1ccccc1 ZINC000001410826 220494558 /nfs/dbraw/zinc/49/45/58/220494558.db2.gz KRERAPVMLPSRFQ-LJQANCHMSA-N 0 0 382.463 5.138 50 30 GKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000001860614 220500985 /nfs/dbraw/zinc/50/09/85/220500985.db2.gz IHUGPVCLVYKUTF-MHZLTWQESA-N 0 0 396.534 6.359 50 30 GKEARN O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000002245799 220512782 /nfs/dbraw/zinc/51/27/82/220512782.db2.gz YPPDZACZGZHJKR-IBGZPJMESA-N 0 0 385.250 6.070 50 30 GKEARN C(=N/C1=NN(c2ccccc2)C(c2ccccc2)=CS1)\c1ccc2c(c1)OCO2 ZINC000002546701 220540663 /nfs/dbraw/zinc/54/06/63/220540663.db2.gz ILAFHBRPGKDMPR-ZVHZXABRSA-N 0 0 399.475 5.357 50 30 GKEARN C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000002660534 220549621 /nfs/dbraw/zinc/54/96/21/220549621.db2.gz VEEJLDMHYHSMAZ-UHFFFAOYSA-N 0 0 379.872 5.168 50 30 GKEARN CCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000002997616 220595020 /nfs/dbraw/zinc/59/50/20/220595020.db2.gz NMOPKNGWYVOXGM-UHFFFAOYSA-N 0 0 386.875 5.257 50 30 GKEARN CC(C)c1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000003130450 220604734 /nfs/dbraw/zinc/60/47/34/220604734.db2.gz CSPLOCHTPBODKN-JOCHJYFZSA-N 0 0 399.446 5.037 50 30 GKEARN CC(C)[C@@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 ZINC000003332365 220628248 /nfs/dbraw/zinc/62/82/48/220628248.db2.gz OGSHNFOGAZSAJM-HSZRJFAPSA-N 0 0 389.882 6.224 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc2c(c1)OCO2 ZINC000004036865 220673359 /nfs/dbraw/zinc/67/33/59/220673359.db2.gz UDCFQKNUOXREII-JOCHJYFZSA-N 0 0 398.462 5.164 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1 ZINC000004044533 220674974 /nfs/dbraw/zinc/67/49/74/220674974.db2.gz GTDAMOQWZBCSDN-JOCHJYFZSA-N 0 0 387.910 6.694 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1 ZINC000004070006 220675802 /nfs/dbraw/zinc/67/58/02/220675802.db2.gz CZHIGKCMHCRGOF-UHFFFAOYSA-N 0 0 397.459 5.726 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000004074976 220677914 /nfs/dbraw/zinc/67/79/14/220677914.db2.gz TTXPQQKLSIZVJF-FYSMJZIKSA-N 0 0 386.451 5.268 50 30 GKEARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2C#N)cc1 ZINC000004187503 220692085 /nfs/dbraw/zinc/69/20/85/220692085.db2.gz CIPSPYXOJBBEJM-UHFFFAOYSA-N 0 0 396.519 5.331 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Cl)sc2C1 ZINC000004673423 220746124 /nfs/dbraw/zinc/74/61/24/220746124.db2.gz RHCRPXFKSSQNHV-ZDUSSCGKSA-N 0 0 386.948 6.067 50 30 GKEARN O=C(/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1 ZINC000005050410 220819630 /nfs/dbraw/zinc/81/96/30/220819630.db2.gz KLGWFMOKJUOZKV-NBVRZTHBSA-N 0 0 386.432 5.628 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C#N)cc1 ZINC000005175618 220840125 /nfs/dbraw/zinc/84/01/25/220840125.db2.gz FQTVQAFAUZNTAR-DEOSSOPVSA-N 0 0 399.494 5.111 50 30 GKEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1C ZINC000008412807 221040614 /nfs/dbraw/zinc/04/06/14/221040614.db2.gz PTUSSFZBGVWYNP-PXNMLYILSA-N 0 0 377.296 5.502 50 30 GKEARN CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000008427296 221041000 /nfs/dbraw/zinc/04/10/00/221041000.db2.gz TXARVQHFADSRPS-REWPJTCUSA-N 0 0 392.543 6.264 50 30 GKEARN N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1Cl ZINC000008331395 221037995 /nfs/dbraw/zinc/03/79/95/221037995.db2.gz XSICAEBBCLRQCT-UHFFFAOYSA-N 0 0 388.279 5.170 50 30 GKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1Cl ZINC000008783534 221060437 /nfs/dbraw/zinc/06/04/37/221060437.db2.gz ZUJYCWGHZUDXFG-UHFFFAOYSA-N 0 0 379.872 5.004 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1 ZINC000008643201 221048666 /nfs/dbraw/zinc/04/86/66/221048666.db2.gz JELBXPXHOMDHRJ-WSDLNYQXSA-N 0 0 392.256 5.449 50 30 GKEARN FC(F)(F)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 ZINC000008687890 221049456 /nfs/dbraw/zinc/04/94/56/221049456.db2.gz YWOOXOMNPREAPY-UHFFFAOYSA-N 0 0 386.442 6.193 50 30 GKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC=C(C)C)ccc3C1=O)cn2C ZINC000008765400 221056360 /nfs/dbraw/zinc/05/63/60/221056360.db2.gz ZNEJXXBNJCFAPZ-FOKLQQMPSA-N 0 0 389.451 5.148 50 30 biogenic GKEARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)oc21 ZINC000010749572 221107011 /nfs/dbraw/zinc/10/70/11/221107011.db2.gz XORYHSYBMOCATR-UHFFFAOYSA-N 0 0 389.436 5.079 50 30 GKEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000009667253 221088862 /nfs/dbraw/zinc/08/88/62/221088862.db2.gz RMHLKGGVCNOCRR-NLRVBDNBSA-N 0 0 399.519 6.225 50 30 GKEARN CC(C)c1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 ZINC000009982894 221095459 /nfs/dbraw/zinc/09/54/59/221095459.db2.gz RMZMWQVTPISLSZ-QHCPKHFHSA-N 0 0 390.508 5.028 50 30 GKEARN Cc1cc2ncn(-c3cccc(-n4cnc5cc(C)c(C)cc54)c3C#N)c2cc1C ZINC000012517178 221199908 /nfs/dbraw/zinc/19/99/08/221199908.db2.gz GFZVDRXMXFTGLR-UHFFFAOYSA-N 0 0 391.478 5.470 50 30 GKEARN CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@@H]1c1ccncc1 ZINC000013543272 221271242 /nfs/dbraw/zinc/27/12/42/221271242.db2.gz NNDPKTKIDYCHIA-QFIPXVFZSA-N 0 0 390.556 5.030 50 30 GKEARN Cc1[nH]c2ccccc2c1CCN(Cc1cccs1)C(=S)NC(C)(C)C ZINC000013878740 221292826 /nfs/dbraw/zinc/29/28/26/221292826.db2.gz BFONZMLLRIHKJM-UHFFFAOYSA-N 0 0 385.602 5.667 50 30 GKEARN Fc1c(F)c(F)c(N=NCc2c3ccccc3cc3ccccc32)c(F)c1F ZINC000013943526 221293213 /nfs/dbraw/zinc/29/32/13/221293213.db2.gz PVVDIZHZPSUJNQ-NCAUGAEKSA-N 0 0 386.323 6.135 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)oc2c1 ZINC000016348545 221360149 /nfs/dbraw/zinc/36/01/49/221360149.db2.gz MYIJBBPQAKTTHW-UHFFFAOYSA-N 0 0 385.398 5.375 50 30 GKEARN Cc1ccccc1NC1=NC(=S)N(c2ccccc2)[C@]12CCOC(C)(C)C2 ZINC000017194757 221381412 /nfs/dbraw/zinc/38/14/12/221381412.db2.gz OAXUVCDCBSSZIU-QFIPXVFZSA-N 0 0 379.529 5.159 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000018244309 221391249 /nfs/dbraw/zinc/39/12/49/221391249.db2.gz WCUCXSJGCPJFOE-OAQYLSRUSA-N 0 0 380.513 5.301 50 30 GKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc(Cl)c1 ZINC000018254831 221391588 /nfs/dbraw/zinc/39/15/88/221391588.db2.gz MYGQJEZMNORMMW-MDWZMJQESA-N 0 0 383.687 5.538 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018324834 221392710 /nfs/dbraw/zinc/39/27/10/221392710.db2.gz SKLVBYAAVLSDGU-JOCHJYFZSA-N 0 0 391.471 5.434 50 30 GKEARN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 ZINC000015230447 533473555 /nfs/dbraw/zinc/47/35/55/533473555.db2.gz BAFAFNFQZANLPV-LPYMAVHISA-N 0 0 392.451 5.743 50 30 GKEARN N#Cc1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 ZINC000084392870 136174863 /nfs/dbraw/zinc/17/48/63/136174863.db2.gz YUJABSWHYUGLOG-IBGZPJMESA-N 0 0 394.824 5.180 50 30 GKEARN N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCC(=O)c1cccs1 ZINC000037868891 221875402 /nfs/dbraw/zinc/87/54/02/221875402.db2.gz VXJUUKXADMTZQM-UHFFFAOYSA-N 0 0 394.496 5.673 50 30 aggregator GKEARN Cc1ccc(S(=O)(=O)OCCN2c3ccccc3Sc3ccccc32)cc1 ZINC000045069047 221959373 /nfs/dbraw/zinc/95/93/73/221959373.db2.gz REZHHGWLNIIRAH-UHFFFAOYSA-N 0 0 397.521 5.003 50 30 GKEARN O=C1c2ccccc2C(Nc2ccc(Cl)cc2)=C1c1ccc(C(F)(F)F)cc1 ZINC000101363997 222471988 /nfs/dbraw/zinc/47/19/88/222471988.db2.gz UHXIEEMJZCVSML-UHFFFAOYSA-N 0 0 399.799 6.536 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005577015 518193492 /nfs/dbraw/zinc/19/34/92/518193492.db2.gz LUVBVUOHDSOPOO-NRFANRHFSA-N 0 0 389.886 5.399 50 30 GKEARN C#CCCCC(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000096318445 518247208 /nfs/dbraw/zinc/24/72/08/518247208.db2.gz FVUMDVJRUUTTBQ-UHFFFAOYSA-N 0 0 397.522 5.184 50 30 GKEARN C#CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000003051159 518260126 /nfs/dbraw/zinc/26/01/26/518260126.db2.gz FPJAVPQVTBHSAP-UHFFFAOYSA-N 0 0 386.200 5.288 50 30 GKEARN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C1=O ZINC000033347975 518264441 /nfs/dbraw/zinc/26/44/41/518264441.db2.gz ZLVYYZYUIBZVDJ-QNGOZBTKSA-N 0 0 392.524 5.106 50 30 GKEARN C#CCn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047489 518339588 /nfs/dbraw/zinc/33/95/88/518339588.db2.gz SQLXFIDXPCRLCU-UHFFFAOYSA-N 0 0 394.543 6.451 50 30 GKEARN c1[nH]c2ccccc2c1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000004610932 518378611 /nfs/dbraw/zinc/37/86/11/518378611.db2.gz FIJQOFAWVBRYMZ-WGOQTCKBSA-N 0 0 390.450 5.133 50 30 GKEARN C/C(=N/OCc1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1C ZINC000035843359 518456725 /nfs/dbraw/zinc/45/67/25/518456725.db2.gz DQCUQENOORMVCU-HFTWOUSFSA-N 0 0 394.518 6.702 50 30 GKEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc2c(c1)CCC2 ZINC000004652640 518466243 /nfs/dbraw/zinc/46/62/43/518466243.db2.gz ROKGMMXSQCGJMA-LPYMAVHISA-N 0 0 378.457 5.043 50 30 GKEARN C/C(=N\c1ccc(Cl)cc1C(N1CCCC1)N1CCCC1)c1ccccc1 ZINC000019324966 518471713 /nfs/dbraw/zinc/47/17/13/518471713.db2.gz LIEBEIAQKLEAOH-XIEYBQDHSA-N 0 0 381.951 5.671 50 30 GKEARN C/C(COc1ccc(Cl)cc1Cl)=N\OC(=O)c1c(F)cccc1Cl ZINC000004299921 518475925 /nfs/dbraw/zinc/47/59/25/518475925.db2.gz CQOJWVHMNQPGBK-ZVBGSRNCSA-N 0 0 390.625 5.398 50 30 GKEARN CC(=O)n1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)c2ccccc21 ZINC000001136684 518498314 /nfs/dbraw/zinc/49/83/14/518498314.db2.gz UNNDSKWTULHTBR-WQRHYEAKSA-N 0 0 392.505 5.205 50 30 GKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2cccc(F)c2)o1 ZINC000036202976 518586484 /nfs/dbraw/zinc/58/64/84/518586484.db2.gz BDDUDAUMSWMRCX-UHFFFAOYSA-N 0 0 395.474 5.554 50 30 GKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1 ZINC000036157147 518586899 /nfs/dbraw/zinc/58/68/99/518586899.db2.gz SDQJKPGBWZKCBM-UHFFFAOYSA-N 0 0 377.484 5.415 50 30 GKEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 ZINC000004033321 518640673 /nfs/dbraw/zinc/64/06/73/518640673.db2.gz YRRZWUDEMFZILJ-FQEVSTJZSA-N 0 0 387.527 5.476 50 30 GKEARN C=C(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501178 518647728 /nfs/dbraw/zinc/64/77/28/518647728.db2.gz JMNNBGGLFDJNBE-VKGXBJDHSA-N 0 0 396.659 7.597 50 30 GKEARN C=CCCCCCCCCC(=O)N1CCC(c2cn(C)c3ccc(C)cc23)CC1 ZINC000022338023 518697448 /nfs/dbraw/zinc/69/74/48/518697448.db2.gz HEAXBJXDPAWSQL-UHFFFAOYSA-N 0 0 394.603 6.500 50 30 GKEARN C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1nc2ccccc2s1 ZINC000012825522 518735110 /nfs/dbraw/zinc/73/51/10/518735110.db2.gz GOAXJIHJARFYCK-UHFFFAOYSA-N 0 0 389.480 5.021 50 30 GKEARN C=CCN(C(=O)c1csc(-c2cccs2)n1)c1nc2c(s1)CCCC2 ZINC000036784272 518740154 /nfs/dbraw/zinc/74/01/54/518740154.db2.gz HUSVTOOYRLKRRO-UHFFFAOYSA-N 0 0 387.555 5.040 50 30 GKEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc2ccccc21 ZINC000006760252 518799411 /nfs/dbraw/zinc/79/94/11/518799411.db2.gz FDNQVCQCRMVMDY-UHFFFAOYSA-N 0 0 383.451 5.027 50 30 GKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)SC1=S ZINC000013801961 518823959 /nfs/dbraw/zinc/82/39/59/518823959.db2.gz XWKVQMXKQCWYBC-UNOMPAQXSA-N 0 0 382.554 5.098 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S ZINC000013810006 518832680 /nfs/dbraw/zinc/83/26/80/518832680.db2.gz MFLLEXMFOVLNIJ-OQLLNIDSSA-N 0 0 379.865 5.126 50 30 GKEARN C=CCNC(=S)Nc1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000005498636 518950984 /nfs/dbraw/zinc/95/09/84/518950984.db2.gz HSNXMUNSHASGIY-UHFFFAOYSA-N 0 0 396.299 5.077 50 30 GKEARN CC(C)(C)c1cc(/N=C/c2c(O)ccc3ccccc32)cc(C(C)(C)C)c1O ZINC000103743803 518990453 /nfs/dbraw/zinc/99/04/53/518990453.db2.gz SUZCLBSCPBSPRV-CVKSISIWSA-N 0 0 375.512 6.597 50 30 GKEARN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(CC)cc3)N(C)C2=O)cc1 ZINC000017077434 519012696 /nfs/dbraw/zinc/01/26/96/519012696.db2.gz HJCCBIOUASZVDY-OCIPIQTLSA-N 0 0 378.497 5.048 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000100073822 519023244 /nfs/dbraw/zinc/02/32/44/519023244.db2.gz JWQJAUCGOIGJKU-WGOQTCKBSA-N 0 0 391.898 6.607 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076564 519043884 /nfs/dbraw/zinc/04/38/84/519043884.db2.gz NXICMDFTXOFVRO-KRWDZBQOSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000036352198 519045627 /nfs/dbraw/zinc/04/56/27/519045627.db2.gz RMEPKQWWVDQZPC-RSXGOPAZSA-N 0 0 396.490 5.802 50 30 GKEARN CC(C)(C)c1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000017511196 519050232 /nfs/dbraw/zinc/05/02/32/519050232.db2.gz AJARYOILHGIRID-OAQYLSRUSA-N 0 0 383.491 5.286 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2Cc1c(F)cccc1F ZINC000035927850 519064099 /nfs/dbraw/zinc/06/40/99/519064099.db2.gz PCCIIGPFDYSJJN-HNNXBMFYSA-N 0 0 398.453 5.061 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1cc(F)ccc1F ZINC000035927874 519064107 /nfs/dbraw/zinc/06/41/07/519064107.db2.gz NSKMSRVXXUZRCS-UHFFFAOYSA-N 0 0 398.453 5.063 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C)cc1 ZINC000035927698 519064636 /nfs/dbraw/zinc/06/46/36/519064636.db2.gz JDDPBXHFWAERNH-GOSISDBHSA-N 0 0 376.500 5.091 50 30 GKEARN C=CCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003094770 519065957 /nfs/dbraw/zinc/06/59/57/519065957.db2.gz SEVXWEOWGKRQMU-LGUFXXKBSA-N 0 0 379.463 5.855 50 30 GKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccc(F)cc3)csc21 ZINC000046077030 519072827 /nfs/dbraw/zinc/07/28/27/519072827.db2.gz QWBQTLGOXYMCFM-KRWDZBQOSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076138 519072930 /nfs/dbraw/zinc/07/29/30/519072930.db2.gz QRZRYWWKMRSOEU-SFHVURJKSA-N 0 0 391.492 5.463 50 30 GKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076533 519073997 /nfs/dbraw/zinc/07/39/97/519073997.db2.gz CDUNITITQAMJAK-MRXNPFEDSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCSc1nc2ccccc2n1C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000012384093 519081958 /nfs/dbraw/zinc/08/19/58/519081958.db2.gz OHEUGNXMCDNXGQ-XHDPSFHLSA-N 0 0 381.328 5.546 50 30 GKEARN C=CCn1c(Cc2cccs2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000013330408 519194158 /nfs/dbraw/zinc/19/41/58/519194158.db2.gz JGZKFSLJIJQVIL-UHFFFAOYSA-N 0 0 395.475 5.428 50 30 GKEARN C=CCn1c(SCc2ccc(Br)s2)nnc1-c1ccccc1 ZINC000095956129 519238551 /nfs/dbraw/zinc/23/85/51/519238551.db2.gz DSWHATUROCYRGW-UHFFFAOYSA-N 0 0 392.347 5.247 50 30 GKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(F)cc1 ZINC000002359623 519238883 /nfs/dbraw/zinc/23/88/83/519238883.db2.gz PNDGJCCLGNDABC-UHFFFAOYSA-N 0 0 381.520 5.860 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F ZINC000004356573 519240603 /nfs/dbraw/zinc/24/06/03/519240603.db2.gz DRRJARHFNPZYOP-UHFFFAOYSA-N 0 0 394.302 5.869 50 30 GKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OCCCC)cc1 ZINC000014086983 519240792 /nfs/dbraw/zinc/24/07/92/519240792.db2.gz OVWIBWGMNYISQK-UHFFFAOYSA-N 0 0 397.519 5.741 50 30 GKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F ZINC000004356567 519241795 /nfs/dbraw/zinc/24/17/95/519241795.db2.gz CXUVLTCHWPJETH-UHFFFAOYSA-N 0 0 393.409 5.581 50 30 GKEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478619 519242176 /nfs/dbraw/zinc/24/21/76/519242176.db2.gz AGPWPYPYVIQWRS-UHFFFAOYSA-N 0 0 377.557 6.029 50 30 GKEARN C=CCn1c(SCc2nc3ccccc3s2)nc2sc(CC)cc2c1=O ZINC000006648942 519248228 /nfs/dbraw/zinc/24/82/28/519248228.db2.gz KTDGEQKAFYQMDJ-UHFFFAOYSA-N 0 0 399.566 5.108 50 30 GKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc4ccccc34)c12 ZINC000098054077 519267406 /nfs/dbraw/zinc/26/74/06/519267406.db2.gz QLDIVQNBEOIMID-NXVVXOECSA-N 0 0 391.474 5.833 50 30 GKEARN CC(=C/c1ccccc1)/C=C1\N=C(SCc2ccccc2Cl)SC1=O ZINC000033348692 519349601 /nfs/dbraw/zinc/34/96/01/519349601.db2.gz NVWXUGMSOZSZRF-UOEQGAKJSA-N 0 0 385.941 6.190 50 30 GKEARN CC(=NN1C(=S)N=NC1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000252463647 519350376 /nfs/dbraw/zinc/35/03/76/519350376.db2.gz NKTBGJSDUASTDP-UHFFFAOYSA-N 0 0 397.718 5.466 50 30 GKEARN CC(C)=CCCC1=CC[C@@H](CN=Nc2nnc3c4ccccc4[nH]c3n2)[C@@H](C)C1 ZINC000015018454 519402715 /nfs/dbraw/zinc/40/27/15/519402715.db2.gz ZCJLTEJKVFLIJW-WJRSSHLXSA-N 0 0 388.519 5.623 50 30 GKEARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000004654829 519443753 /nfs/dbraw/zinc/44/37/53/519443753.db2.gz FJDPATXIBIBRIM-BHIFYINESA-N 0 0 375.468 5.825 50 30 in-man GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000018116161 519640220 /nfs/dbraw/zinc/64/02/20/519640220.db2.gz RLXIKKSMSXZEAZ-AVRWGWEMSA-N 0 0 398.462 5.200 50 30 GKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009264265 519640975 /nfs/dbraw/zinc/64/09/75/519640975.db2.gz FKJISGVXKYVBPV-IQGLISFBSA-N 0 0 398.462 5.200 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257157307 519648272 /nfs/dbraw/zinc/64/82/72/519648272.db2.gz QNTASHOAVRSLMD-NGTQRGQWSA-N 0 0 399.663 7.858 50 30 GKEARN CC(C)N1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 ZINC000025760065 519668138 /nfs/dbraw/zinc/66/81/38/519668138.db2.gz WVBVUNNSUHZKDU-GDAWTGGTSA-N 0 0 386.322 5.754 50 30 GKEARN CC(=O)Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(C)cc1 ZINC000013549154 519754302 /nfs/dbraw/zinc/75/43/02/519754302.db2.gz LFEUOSZKVBMANR-HSRIELGNSA-N 0 0 376.485 5.188 50 30 GKEARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000257349549 519789826 /nfs/dbraw/zinc/78/98/26/519789826.db2.gz OWYXOXZSAKVGHJ-VRPDPZBYSA-N 0 0 396.659 7.619 50 30 GKEARN CCCC(C)(C)[C@@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000032025465 519882682 /nfs/dbraw/zinc/88/26/82/519882682.db2.gz ZFJMCICFPLOLLQ-RFLJKCSHSA-N 0 0 376.457 5.533 50 30 GKEARN CCCC(C)(C)[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000036354890 519882814 /nfs/dbraw/zinc/88/28/14/519882814.db2.gz DIYFSYBOKDUFNM-FRQMUMDUSA-N 0 0 376.457 5.533 50 30 GKEARN CCCC(C)(C)[C@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000032025462 519882817 /nfs/dbraw/zinc/88/28/17/519882817.db2.gz ZFJMCICFPLOLLQ-NKTUNZBZSA-N 0 0 376.457 5.533 50 30 GKEARN CCCC(C)(C)[C@H]1C[C@H](C)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101673107 519882886 /nfs/dbraw/zinc/88/28/86/519882886.db2.gz VYVCOPUKBOFTDG-HMFAPSLPSA-N 0 0 376.457 5.533 50 30 GKEARN CCCCC(NCCc1c(C)[nH]c2ccccc21)=C1C(=O)CC(C)(C)CC1=O ZINC000100146920 519916784 /nfs/dbraw/zinc/91/67/84/519916784.db2.gz MXKKWOUVXWEXNF-UHFFFAOYSA-N 0 0 380.532 5.011 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(Cl)cc3)o2)CC1 ZINC000027562583 519921083 /nfs/dbraw/zinc/92/10/83/519921083.db2.gz UPHNROWPABYXEZ-ZVHZXABRSA-N 0 0 384.911 6.110 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000027562592 519921148 /nfs/dbraw/zinc/92/11/48/519921148.db2.gz QDSNMOGKDTYIJI-OEAKJJBVSA-N 0 0 395.463 5.364 50 30 GKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021356196 519928114 /nfs/dbraw/zinc/92/81/14/519928114.db2.gz NUEBOENFNWHQQU-QHCPKHFHSA-N 0 0 394.540 5.835 50 30 GKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021356202 519928141 /nfs/dbraw/zinc/92/81/41/519928141.db2.gz NUEBOENFNWHQQU-HSZRJFAPSA-N 0 0 394.540 5.835 50 30 GKEARN CCCCCCCC(=O)Oc1c(=O)c2ccccc2oc1-c1ccc(OC)cc1 ZINC000002534541 519965782 /nfs/dbraw/zinc/96/57/82/519965782.db2.gz APXABDIAUQXESB-UHFFFAOYSA-N 0 0 394.467 5.735 50 30 GKEARN CCCCCCCC1CCC(c2ccc(-c3ccc(CCCC)cn3)cc2)CC1 ZINC000097994387 519970206 /nfs/dbraw/zinc/97/02/06/519970206.db2.gz XIHKTJIIOIJWAB-UHFFFAOYSA-N 0 0 391.643 8.726 50 30 GKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=N)S1 ZINC000100112915 519971274 /nfs/dbraw/zinc/97/12/74/519971274.db2.gz LLPDYUAFQLUIRO-PALNNIJKSA-N 0 0 393.516 5.148 50 30 GKEARN CCCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1 ZINC000102996539 519972317 /nfs/dbraw/zinc/97/23/17/519972317.db2.gz WMWNRUUWBXUGEB-UHFFFAOYSA-N 0 0 385.552 5.868 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21 ZINC000102996510 519973102 /nfs/dbraw/zinc/97/31/02/519973102.db2.gz MLXWVSZNPBZQSN-UHFFFAOYSA-N 0 0 385.458 5.969 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn21 ZINC000102996492 519973232 /nfs/dbraw/zinc/97/32/32/519973232.db2.gz OLVJJOBMOHKZNL-UHFFFAOYSA-N 0 0 381.495 6.138 50 30 GKEARN CCCCCCCCCC(=O)Nc1c2cc(F)ccc2[nH]c1C(=O)OCC ZINC000097951286 519976876 /nfs/dbraw/zinc/97/68/76/519976876.db2.gz RURAUZRXNGGSTE-UHFFFAOYSA-N 0 0 376.472 5.563 50 30 GKEARN CCCCCCCCCC(=O)Nc1c2cc(OC)ccc2[nH]c1C(=O)OCC ZINC000097951349 519978049 /nfs/dbraw/zinc/97/80/49/519978049.db2.gz HRCFKLUULDTGQN-UHFFFAOYSA-N 0 0 388.508 5.432 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000100166424 519980180 /nfs/dbraw/zinc/98/01/80/519980180.db2.gz QWDOOIJUANDFFW-XDHOZWIPSA-N 0 0 396.502 6.768 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C ZINC000100813048 519981034 /nfs/dbraw/zinc/98/10/34/519981034.db2.gz JOIFWIJNENXQBY-UHFFFAOYSA-N 0 0 393.553 5.637 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(N(C)C)cc1 ZINC000100971027 519982069 /nfs/dbraw/zinc/98/20/69/519982069.db2.gz RNGQUOVGTHGRAH-UHFFFAOYSA-N 0 0 377.598 5.487 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C ZINC000100815640 519982195 /nfs/dbraw/zinc/98/21/95/519982195.db2.gz XFIAIUAJRQOTAK-UHFFFAOYSA-N 0 0 393.553 5.637 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1C ZINC000101017961 519982311 /nfs/dbraw/zinc/98/23/11/519982311.db2.gz DNOREMNJBPHNMZ-UHFFFAOYSA-N 0 0 383.001 6.382 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000097944214 519984629 /nfs/dbraw/zinc/98/46/29/519984629.db2.gz HQGYTWRJKHPGMR-UHFFFAOYSA-N 0 0 386.605 7.286 50 30 GKEARN CCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1 ZINC000101019747 519989534 /nfs/dbraw/zinc/98/95/34/519989534.db2.gz SVPWOMYIMXYUPM-UHFFFAOYSA-N 0 0 389.624 7.895 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-] ZINC000100078745 519991467 /nfs/dbraw/zinc/99/14/67/519991467.db2.gz GOOWMQLOYNJICV-UHFFFAOYSA-N 0 0 377.525 6.982 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc(O)c(O)c1 ZINC000033353681 519993035 /nfs/dbraw/zinc/99/30/35/519993035.db2.gz QTZPOTHJYZFECC-UHFFFAOYSA-N 0 0 376.581 7.542 50 30 biogenic GKEARN CCCCCCCCCCCCCCCCCC/N=C/c1ccc([N+](=O)[O-])o1 ZINC000102059536 519993295 /nfs/dbraw/zinc/99/32/95/519993295.db2.gz ZAEKEEGHKOXWRR-DARPEHSRSA-N 0 0 392.584 7.868 50 30 GKEARN CCCCCCCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O ZINC000097997743 519995458 /nfs/dbraw/zinc/99/54/58/519995458.db2.gz BCZUGMNWRQGHFP-UHFFFAOYSA-N 0 0 399.619 7.544 50 30 GKEARN CCCCCCCCCCCCCCCCCCSc1nnc(N)s1 ZINC000095703693 519995901 /nfs/dbraw/zinc/99/59/01/519995901.db2.gz KDHXMKKYRQQFKW-UHFFFAOYSA-N 0 0 385.687 7.474 50 30 GKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2[nH]c1=O ZINC000100863975 519996628 /nfs/dbraw/zinc/99/66/28/519996628.db2.gz YMTBIVMJSPKUAN-UHFFFAOYSA-N 0 0 386.624 7.591 50 30 GKEARN CCCCCCCCCCCCCCCCCCNC1=CC(=O)CC(C)(C)C1 ZINC000097949773 519997534 /nfs/dbraw/zinc/99/75/34/519997534.db2.gz JQWRPHBAJWZYBD-UHFFFAOYSA-N 0 0 391.684 8.111 50 30 GKEARN CCCCCCCCCCCCCCCCOc1cc(OC)ccc1C(C)=O ZINC000101016218 520001136 /nfs/dbraw/zinc/00/11/36/520001136.db2.gz VCUGMUPDPDDRKF-UHFFFAOYSA-N 0 0 390.608 7.758 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccccc1/C(CC)=N\O ZINC000102313138 520001188 /nfs/dbraw/zinc/00/11/88/520001188.db2.gz FCPVNTWIHXVFBV-LCUIJRPUSA-N 0 0 389.624 8.135 50 30 GKEARN CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 ZINC000100006878 520001573 /nfs/dbraw/zinc/00/15/73/520001573.db2.gz WZPMUDCUMKEHSE-UHFFFAOYSA-N 0 0 396.015 7.560 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccccc1NC(C)=O ZINC000101016931 520001590 /nfs/dbraw/zinc/00/15/90/520001590.db2.gz LPNXEPRXDZVBDW-UHFFFAOYSA-N 0 0 375.597 7.505 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(C(C)(C)O)cc1 ZINC000101016254 520001935 /nfs/dbraw/zinc/00/19/35/520001935.db2.gz HUKXYAQVVCRRCT-UHFFFAOYSA-N 0 0 376.625 7.774 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(C)cc1/C(C)=N\O ZINC000102313120 520002085 /nfs/dbraw/zinc/00/20/85/520002085.db2.gz OPRKRBWBSOZPQI-RWEWTDSWSA-N 0 0 389.624 8.053 50 30 GKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccccc1N ZINC000101017389 520004164 /nfs/dbraw/zinc/00/41/64/520004164.db2.gz KKFZGHHCJCWFFZ-UHFFFAOYSA-N 0 0 381.626 6.524 50 30 GKEARN CCCCCCCCCCCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000097944222 520010266 /nfs/dbraw/zinc/01/02/66/520010266.db2.gz NSMVNULYGHDNQX-UHFFFAOYSA-N 0 0 393.571 6.961 50 30 GKEARN CCCCCCCCCCCCS[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000095719286 520013051 /nfs/dbraw/zinc/01/30/51/520013051.db2.gz DGHWILNQPWZCPC-HXUWFJFHSA-N 0 0 375.578 5.973 50 30 GKEARN CCCCCCCCCCCCS(=O)CCCCCCCCCCCC ZINC000100012281 520014170 /nfs/dbraw/zinc/01/41/70/520014170.db2.gz PZKDFFVFMXTDIP-UHFFFAOYSA-N 0 0 386.730 8.577 50 30 GKEARN CCCCCCCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000098001369 520017683 /nfs/dbraw/zinc/01/76/83/520017683.db2.gz IPVCYQBODGZEAP-UHFFFAOYSA-N 0 0 395.543 6.627 50 30 biogenic GKEARN CCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O ZINC000002293176 520018079 /nfs/dbraw/zinc/01/80/79/520018079.db2.gz DAUJZNKMWMMXCE-LCUIJRPUSA-N 0 0 393.527 6.581 50 30 GKEARN CCCCCCCCCCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000100558007 520019570 /nfs/dbraw/zinc/01/95/70/520019570.db2.gz UCKAPJOONJVAKC-JQIJEIRASA-N 0 0 399.487 6.552 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000008403862 520021420 /nfs/dbraw/zinc/02/14/20/520021420.db2.gz DCQFZWMUONTKFL-WOJBJXKFSA-N 0 0 390.568 5.847 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2CCCC[C@@H]2CC)cc1 ZINC000008427388 520021750 /nfs/dbraw/zinc/02/17/50/520021750.db2.gz SGODZTPFTSTQAC-QFIPXVFZSA-N 0 0 388.596 7.003 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2CCCC(C)(C)C2)cc1 ZINC000100055806 520021869 /nfs/dbraw/zinc/02/18/69/520021869.db2.gz CWWWQANWQRFMTA-UHFFFAOYSA-N 0 0 388.596 6.860 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000097949793 520022393 /nfs/dbraw/zinc/02/23/93/520022393.db2.gz ZWWIRWVYCOKXLI-UHFFFAOYSA-N 0 0 396.527 6.628 50 30 GKEARN CCCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052393 520029138 /nfs/dbraw/zinc/02/91/38/520029138.db2.gz RTQFMHKEIOUPDD-RYODQQQOSA-N 0 0 391.559 7.817 50 30 GKEARN CCCCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1 ZINC000097997892 520029740 /nfs/dbraw/zinc/02/97/40/520029740.db2.gz OGFGFVYUTGSNAF-UHFFFAOYSA-N 0 0 396.619 7.786 50 30 GKEARN CCCCCCCCCc1noc(-c2ccc(OCCCCCCC)cc2)n1 ZINC000100486596 520030822 /nfs/dbraw/zinc/03/08/22/520030822.db2.gz PMEPTIRONHBUIF-UHFFFAOYSA-N 0 0 386.580 7.379 50 30 GKEARN CCCCCCCCCn1c(/C=C/c2ccccc2OC)nc2ccccc21 ZINC000097981110 520031119 /nfs/dbraw/zinc/03/11/19/520031119.db2.gz JVJUJMZYHREVNZ-VHEBQXMUSA-N 0 0 376.544 6.966 50 30 GKEARN CCCCCCCCCc1ccc(C(=O)Nc2nnc(SCC)s2)cc1 ZINC000097998416 520031470 /nfs/dbraw/zinc/03/14/70/520031470.db2.gz BCNWLIDAPBUHAW-UHFFFAOYSA-N 0 0 391.606 6.196 50 30 GKEARN CCCCCCCCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000003033340 520035672 /nfs/dbraw/zinc/03/56/72/520035672.db2.gz FSOJULBDKLQJTO-UHFFFAOYSA-N 0 0 382.529 5.494 50 30 GKEARN CCCCCCCCOc1cc(CO)c(OCCCCCCCC)cc1CO ZINC000100653474 520041215 /nfs/dbraw/zinc/04/12/15/520041215.db2.gz KDFGDJQZGFBTEC-UHFFFAOYSA-N 0 0 394.596 6.150 50 30 GKEARN CCCCCCCCOc1ccc(/N=C/c2ccc(-c3cccs3)s2)cc1 ZINC000002274623 520043000 /nfs/dbraw/zinc/04/30/00/520043000.db2.gz QRAXMTKORDSZJA-HKOYGPOVSA-N 0 0 397.609 7.967 50 30 GKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCCC)cc2)cc1 ZINC000100430323 520043698 /nfs/dbraw/zinc/04/36/98/520043698.db2.gz BDTRDPSFINNZRW-UHFFFAOYSA-N 0 0 396.571 7.378 50 30 GKEARN CCCCCCCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000102739125 520043934 /nfs/dbraw/zinc/04/39/34/520043934.db2.gz VLHCYXKAZQSSRC-DEOSSOPVSA-N 0 0 397.584 6.513 50 30 GKEARN CCCCCCCCOc1ccc([C@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000102739118 520046094 /nfs/dbraw/zinc/04/60/94/520046094.db2.gz KMRGBKAZRIZNMP-HSZRJFAPSA-N 0 0 383.557 6.205 50 30 GKEARN CCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000050704986 520049340 /nfs/dbraw/zinc/04/93/40/520049340.db2.gz RFIXRGFSNMOZCK-UHFFFAOYSA-N 0 0 392.587 7.273 50 30 GKEARN CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000097997912 520050203 /nfs/dbraw/zinc/05/02/03/520050203.db2.gz ABHDVCDDPMWOON-UHFFFAOYSA-N 0 0 385.595 8.271 50 30 GKEARN CCCCCCCNC(=O)CCC(=O)NC1CCCCCCCCCCC1 ZINC000098045143 520054324 /nfs/dbraw/zinc/05/43/24/520054324.db2.gz SMUKYTKGYYQPQL-UHFFFAOYSA-N 0 0 380.617 5.643 50 30 GKEARN CCCCCCCNc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097952363 520059639 /nfs/dbraw/zinc/05/96/39/520059639.db2.gz SZGIDGGNXOLQKL-UHFFFAOYSA-N 0 0 398.576 5.782 50 30 GKEARN CCCCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000100086973 520061201 /nfs/dbraw/zinc/06/12/01/520061201.db2.gz SVDZXQYRKBCTQR-LTGZKZEYSA-N 0 0 397.902 6.034 50 30 GKEARN CCCCCCCOC(=O)c1c(N)n(CCCC)c2nc3ccccc3nc21 ZINC000097953919 520061241 /nfs/dbraw/zinc/06/12/41/520061241.db2.gz VMZYKFJUVRUEGW-UHFFFAOYSA-N 0 0 382.508 5.094 50 30 GKEARN CCCCCCCOc1ccc(/C=C/c2ccc(CCCCCCC)cn2)cc1 ZINC000097958178 520061426 /nfs/dbraw/zinc/06/14/26/520061426.db2.gz KWXQRCMTBUBAQS-NBVRZTHBSA-N 0 0 393.615 8.114 50 30 GKEARN CCCCCCCOc1ccc(-c2ccc(C(=O)O[C@H](C)CCCC)cc2)cc1 ZINC000097997876 520062214 /nfs/dbraw/zinc/06/22/14/520062214.db2.gz QCMYDCCXLQROKW-OAQYLSRUSA-N 0 0 396.571 7.438 50 30 biogenic GKEARN CCCCCCCOc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 ZINC000100604375 520064039 /nfs/dbraw/zinc/06/40/39/520064039.db2.gz IYXQONPNRHZGEJ-UHFFFAOYSA-N 0 0 376.537 6.122 50 30 GKEARN CCCCCCCc1ccc(-c2ccc(I)cc2)nc1 ZINC000097949669 520069279 /nfs/dbraw/zinc/06/92/79/520069279.db2.gz JRAODRYEQYKKOD-UHFFFAOYSA-N 0 0 379.285 5.866 50 30 GKEARN CCCCCCCc1ccc(-c2ccc(Br)c([N+](=O)[O-])c2)nc1 ZINC000003108568 520069993 /nfs/dbraw/zinc/06/99/93/520069993.db2.gz RPEKJTRMQDQMQL-UHFFFAOYSA-N 0 0 377.282 5.932 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000050704982 520072048 /nfs/dbraw/zinc/07/20/48/520072048.db2.gz CIZWPMFFZWPRDR-OAQYLSRUSA-N 0 0 376.588 7.357 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000102580446 520077606 /nfs/dbraw/zinc/07/76/06/520077606.db2.gz NYCPUYFILNCCLR-HOGKFDNTSA-N 0 0 391.511 5.305 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102597617 520077781 /nfs/dbraw/zinc/07/77/81/520077781.db2.gz XKPCQJTUBWZDMF-MRJHHRETSA-N 0 0 395.474 5.136 50 30 GKEARN CC/C(=N\NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(Cl)s1 ZINC000017081640 520180461 /nfs/dbraw/zinc/18/04/61/520180461.db2.gz UMVXYHUSFVIWOO-HMMYKYKNSA-N 0 0 398.981 5.036 50 30 GKEARN CC/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC ZINC000100232782 520207320 /nfs/dbraw/zinc/20/73/20/520207320.db2.gz FDGMHVXFEWDBLE-OTUPYVCLSA-N 0 0 392.933 5.396 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000002069352 520227932 /nfs/dbraw/zinc/22/79/32/520227932.db2.gz QSPSRWIQHZGDPJ-FQEVSTJZSA-N 0 0 387.907 5.041 50 30 GKEARN CCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1 ZINC000004651755 520337187 /nfs/dbraw/zinc/33/71/87/520337187.db2.gz PNAJXAFDARWKGV-XIEYBQDHSA-N 0 0 379.500 6.104 50 30 GKEARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=NNc1ccccc1 ZINC000100117945 520545892 /nfs/dbraw/zinc/54/58/92/520545892.db2.gz BLBMZKLWBHYTBG-NSUNUEHASA-N 0 0 395.506 5.338 50 30 GKEARN CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000103085936 520556342 /nfs/dbraw/zinc/55/63/42/520556342.db2.gz NECQTQRAJNKAAT-MPIQAULUSA-N 0 0 396.512 5.108 50 30 GKEARN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000004349514 520620262 /nfs/dbraw/zinc/62/02/62/520620262.db2.gz GKWIJQGWWICIFP-GXDHUFHOSA-N 0 0 392.882 6.214 50 30 GKEARN CCOc1cc(/C=C\C(=O)c2cc(C)sc2C)cc(Br)c1O ZINC000033502542 520637145 /nfs/dbraw/zinc/63/71/45/520637145.db2.gz FIEZBYUYPFIOTQ-WAYWQWQTSA-N 0 0 381.291 5.128 50 30 GKEARN CCOc1cc(/C=C\C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000033929527 520637187 /nfs/dbraw/zinc/63/71/87/520637187.db2.gz GKWIJQGWWICIFP-UVTDQMKNSA-N 0 0 392.882 6.214 50 30 GKEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 ZINC000020647013 520740291 /nfs/dbraw/zinc/74/02/91/520740291.db2.gz YEHUFHAZXZICFI-STZFKDTASA-N 0 0 379.500 5.148 50 30 GKEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 ZINC000020646724 520741800 /nfs/dbraw/zinc/74/18/00/520741800.db2.gz QIBPDFSXPJEMFW-ZDLGFXPLSA-N 0 0 392.282 5.157 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867307 520820351 /nfs/dbraw/zinc/82/03/51/520820351.db2.gz WQMWRUGWDHFGSC-OAQYLSRUSA-N 0 0 399.556 5.228 50 30 GKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000019972806 520820548 /nfs/dbraw/zinc/82/05/48/520820548.db2.gz GUCJYSBJLHVHEJ-QFIPXVFZSA-N 0 0 397.490 5.060 50 30 GKEARN CCOc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1OC ZINC000004818545 520842355 /nfs/dbraw/zinc/84/23/55/520842355.db2.gz TXBHAXVTZQYKNN-CYVLTUHYSA-N 0 0 399.446 5.659 50 30 GKEARN CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)C=CC=Cc2ccccc2)c1 ZINC000003097020 520851633 /nfs/dbraw/zinc/85/16/33/520851633.db2.gz APFKRWKONAIVTL-KJZHCDIESA-N 0 0 388.536 5.516 50 30 GKEARN CCCCOc1ccc(C=NNc2ccc(Br)cc2)cc1OCC ZINC000030753569 520855369 /nfs/dbraw/zinc/85/53/69/520855369.db2.gz NNUHPBPRJFMFOE-STZFKDTASA-N 0 0 391.309 5.473 50 30 GKEARN CCCCOc1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1OCC ZINC000004826328 520855418 /nfs/dbraw/zinc/85/54/18/520855418.db2.gz OZRQKSOSYALUEV-XMHGGMMESA-N 0 0 380.484 5.485 50 30 GKEARN CCCCOc1ccc(C(=O)O/N=C(\Cc2ccccc2)c2cccs2)cc1 ZINC000036644274 520871128 /nfs/dbraw/zinc/87/11/28/520871128.db2.gz OIFNYBXRQKPMDQ-DARPEHSRSA-N 0 0 393.508 5.731 50 30 GKEARN CCOc1ccc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc1 ZINC000009530484 520872426 /nfs/dbraw/zinc/87/24/26/520872426.db2.gz KIJQMPIOJFRQHK-DDMRJVITSA-N 0 0 385.419 5.799 50 30 GKEARN CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1/N=C/c1ccccc1O ZINC000003018408 520872829 /nfs/dbraw/zinc/87/28/29/520872829.db2.gz ZVINDAMCHNGCIQ-YZSQISJMSA-N 0 0 381.560 7.036 50 30 GKEARN CCCCOc1ccccc1/C=C1\N=C(SCc2ccccc2)SC1=O ZINC000002834696 520911977 /nfs/dbraw/zinc/91/19/77/520911977.db2.gz SUZDMCXLNISLON-JXAWBTAJSA-N 0 0 383.538 5.769 50 30 GKEARN CCCCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000009597531 520977794 /nfs/dbraw/zinc/97/77/94/520977794.db2.gz YTXFNBPOHNOECK-LJQANCHMSA-N 0 0 396.560 5.137 50 30 GKEARN CCOC(=O)Nc1sc(N=NCc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC000016806347 520999298 /nfs/dbraw/zinc/99/92/98/520999298.db2.gz RLWSJRWESMQQLC-LPYMAVHISA-N 0 0 394.500 5.441 50 30 GKEARN CCC(CC)(CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Sc1ccccc1 ZINC000004114439 521056974 /nfs/dbraw/zinc/05/69/74/521056974.db2.gz HSQXNODDRSMRHF-CPNJWEJPSA-N 0 0 388.449 5.252 50 30 GKEARN N#CC(N=Nc1ccc(C(F)(F)F)cc1)=NNc1ccc(C(F)(F)F)cc1 ZINC000100328755 534542480 /nfs/dbraw/zinc/54/24/80/534542480.db2.gz IAXHFRVHDQLUHE-KLNRJUIRSA-N 0 0 385.271 5.757 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000033925439 521254046 /nfs/dbraw/zinc/25/40/46/521254046.db2.gz ZUHJQWILXLUPQH-UHNOWLQGSA-N 0 0 399.947 5.364 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000001496774 521316641 /nfs/dbraw/zinc/31/66/41/521316641.db2.gz NNIFCIYMASXHRX-ZVHZXABRSA-N 0 0 394.858 5.447 50 30 GKEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(OC)ccc1O ZINC000002359233 521371577 /nfs/dbraw/zinc/37/15/77/521371577.db2.gz KDGRUQQNDLKHRZ-FSJBWODESA-N 0 0 395.480 5.365 50 30 GKEARN CCOC(=O)c1ccc(/N=C/c2ccccc2Oc2ccc(Cl)cc2)cc1 ZINC000100216166 521462492 /nfs/dbraw/zinc/46/24/92/521462492.db2.gz ZMRHXCUXGNWXIW-BUVRLJJBSA-N 0 0 379.843 6.060 50 30 GKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/[C@H](C)c1ccccc1 ZINC000102595550 521513454 /nfs/dbraw/zinc/51/34/54/521513454.db2.gz TYPIRWPDHIWOCD-AIAITTCESA-N 0 0 395.553 5.110 50 30 GKEARN CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C)cc1 ZINC000100667180 521698653 /nfs/dbraw/zinc/69/86/53/521698653.db2.gz KXRXQTUZQQZLAM-MPIQAULUSA-N 0 0 379.529 5.075 50 30 GKEARN COc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccccc1 ZINC000097447318 521775791 /nfs/dbraw/zinc/77/57/91/521775791.db2.gz ZTFLBHITSKNOCF-FPLPWBNLSA-N 0 0 396.078 5.116 50 30 GKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2)ccc1O ZINC000100026000 521905652 /nfs/dbraw/zinc/90/56/52/521905652.db2.gz KEVNKXKOXUQGOM-YDZHTSKRSA-N 0 0 377.831 5.120 50 30 GKEARN COc1cc(/C=C\C(=O)Oc2ccc(Cl)c3ccccc23)ccc1OCC#N ZINC000033528056 521981639 /nfs/dbraw/zinc/98/16/39/521981639.db2.gz CCLKGULFXMZSOL-XFFZJAGNSA-N 0 0 393.826 5.023 50 30 GKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1O ZINC000004410039 521992820 /nfs/dbraw/zinc/99/28/20/521992820.db2.gz FPZFHLQKYGFLNW-DNTJNYDQSA-N 0 0 394.283 5.277 50 30 GKEARN COc1cc(/C=N/c2ccc(F)cc2F)ccc1OC(=O)/C=C/c1cccs1 ZINC000001044802 521997622 /nfs/dbraw/zinc/99/76/22/521997622.db2.gz OJBPXLCAMLXGTQ-VNXHVWHNSA-N 0 0 399.418 5.404 50 30 GKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(F)cc3)n2)cc1 ZINC000004947440 523086539 /nfs/dbraw/zinc/08/65/39/523086539.db2.gz VKUUMRFNZKXHQC-WGOQTCKBSA-N 0 0 398.441 5.404 50 30 GKEARN CC[C@@H]1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C\c2ccc(SC)cc2)C1 ZINC000251560842 523139600 /nfs/dbraw/zinc/13/96/00/523139600.db2.gz ILFHXODWIJSRCM-UNDQBAIOSA-N 0 0 394.605 6.987 50 30 GKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccccc2)cc1 ZINC000004815206 523240310 /nfs/dbraw/zinc/24/03/10/523240310.db2.gz QIYZDTGXGYDJOV-SAPNQHFASA-N 0 0 380.447 5.444 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21 ZINC000013383288 523274979 /nfs/dbraw/zinc/27/49/79/523274979.db2.gz CEAPHJPESODIQL-VFCFBJKWSA-N 0 0 389.502 6.987 50 30 GKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)c(C)n1 ZINC000229826018 523307537 /nfs/dbraw/zinc/30/75/37/523307537.db2.gz VFYSTCQWVDOPQD-JNVFMFTRSA-N 0 0 390.527 5.036 50 30 GKEARN COc1ccc(/C=C(\C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000004038262 523379862 /nfs/dbraw/zinc/37/98/62/523379862.db2.gz VLRNRDXNRYGGRY-HMMYKYKNSA-N 0 0 385.419 5.269 50 30 biogenic GKEARN COc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1OC ZINC000013563211 523380720 /nfs/dbraw/zinc/38/07/20/523380720.db2.gz BJKICWFCHMCVGK-XMHGGMMESA-N 0 0 399.446 5.577 50 30 GKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccccc3c2-c2ccccc2)cc1 ZINC000071789392 523399489 /nfs/dbraw/zinc/39/94/89/523399489.db2.gz YIJGNIIQDRGGFT-DTQAZKPQSA-N 0 0 381.431 5.100 50 30 in-vitro GKEARN COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000004811877 523403088 /nfs/dbraw/zinc/40/30/88/523403088.db2.gz QBWPHRWCSIEVAR-NTUHNPAUSA-N 0 0 378.855 5.824 50 30 biogenic,in-vitro GKEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccccc1F ZINC000033287012 523410258 /nfs/dbraw/zinc/41/02/58/523410258.db2.gz OXRXVUMTZFLYAO-RGEXLXHISA-N 0 0 388.438 5.626 50 30 GKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000012420248 523426664 /nfs/dbraw/zinc/42/66/64/523426664.db2.gz HLTRECGCSIBKCT-BLOQEJBCSA-N 0 0 386.476 5.504 50 30 GKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)c2ccccc12 ZINC000027499738 523427615 /nfs/dbraw/zinc/42/76/15/523427615.db2.gz CCGUOBAKHAHWNG-UNOMPAQXSA-N 0 0 394.883 5.393 50 30 GKEARN COc1ccc(/C=C\C(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000033649653 523433001 /nfs/dbraw/zinc/43/30/01/523433001.db2.gz QZEBEFHPJVCIBA-TVPGTPATSA-N 0 0 393.280 6.021 50 30 GKEARN COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004027130 523439062 /nfs/dbraw/zinc/43/90/62/523439062.db2.gz NATKEWUCHCEYAD-QPFNJAHXSA-N 0 0 395.543 5.502 50 30 biogenic GKEARN COc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(OC)cc4)cccc23)cc1 ZINC000018023081 523456211 /nfs/dbraw/zinc/45/62/11/523456211.db2.gz IOJULEMVKXWTOZ-XUIWWLCJSA-N 0 0 394.474 6.358 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(OC(=O)c2ccccc2C)c1 ZINC000004279048 523539416 /nfs/dbraw/zinc/53/94/16/523539416.db2.gz DJTZDWCLUNTTAF-NTEUORMPSA-N 0 0 390.410 5.258 50 30 GKEARN COc1ccc(C(=O)/C=C\c2ccccc2Cl)c(OC(=O)c2ccco2)c1 ZINC000033442123 523544887 /nfs/dbraw/zinc/54/48/87/523544887.db2.gz JACYTXIGEZKXCN-FLIBITNWSA-N 0 0 382.799 5.057 50 30 GKEARN CN(/N=C\c1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004977380 523771709 /nfs/dbraw/zinc/77/17/09/523771709.db2.gz ZDHGXTLMAGNHHX-ONUIUJJFSA-N 0 0 398.897 5.934 50 30 GKEARN CN(C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1)C1(C#N)CCCCC1 ZINC000007679871 523838424 /nfs/dbraw/zinc/83/84/24/523838424.db2.gz DCLFONXNSBYXSY-UHFFFAOYSA-N 0 0 390.858 5.136 50 30 GKEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000033420988 523861152 /nfs/dbraw/zinc/86/11/52/523861152.db2.gz BFFRJZNDJWIWGD-SAPNQHFASA-N 0 0 396.465 6.137 50 30 GKEARN CCc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000015018354 523872907 /nfs/dbraw/zinc/87/29/07/523872907.db2.gz JJRGSYUQNGTVHX-ISSOZRQYSA-N 0 0 384.504 6.058 50 30 GKEARN COc1ccc(C2CC(=O)C(=CNc3ccccc3-c3ccccc3)C(=O)C2)cc1 ZINC000100580205 523882933 /nfs/dbraw/zinc/88/29/33/523882933.db2.gz XLUPBJUVPVIWEQ-UHFFFAOYSA-N 0 0 397.474 5.374 50 30 GKEARN COc1ccc(CCN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000006170740 523952215 /nfs/dbraw/zinc/95/22/15/523952215.db2.gz FMFWMFHPZSJNHF-UHFFFAOYSA-N 0 0 381.422 5.062 50 30 GKEARN CCc1ccc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)cc1 ZINC000101349913 523962110 /nfs/dbraw/zinc/96/21/10/523962110.db2.gz UVHBORWZXXEXAB-NTEUORMPSA-N 0 0 377.669 5.227 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(C2CCCCC2)o1 ZINC000032945444 524034494 /nfs/dbraw/zinc/03/44/94/524034494.db2.gz AWGCYZKGMDGIFV-UYRXBGFRSA-N 0 0 397.544 5.090 50 30 GKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)CC(c1ccccc1)c1ccccc1 ZINC000018088756 524035014 /nfs/dbraw/zinc/03/50/14/524035014.db2.gz SLMIZFKHJOWWOD-LGUFXXKBSA-N 0 0 381.519 6.089 50 30 GKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(O)c2)C12CCCC2 ZINC000100689181 524062105 /nfs/dbraw/zinc/06/21/05/524062105.db2.gz GFUXOVXUWBEPSP-FLFQWRMESA-N 0 0 393.556 5.845 50 30 GKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccccc2C)C12CCCCC2 ZINC000013764788 524062215 /nfs/dbraw/zinc/06/22/15/524062215.db2.gz MYPFQCFZNFSLST-UHFFFAOYSA-N 0 0 391.584 6.405 50 30 GKEARN Cc1ccc2oc(-c3cccc(/N=C\c4ccc(Cl)c(Cl)c4)c3)nc2c1 ZINC000018021506 524085916 /nfs/dbraw/zinc/08/59/16/524085916.db2.gz SWFWXHNCAUBPGW-MSXFZWOLSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1cccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)c1 ZINC000102417490 524120649 /nfs/dbraw/zinc/12/06/49/524120649.db2.gz WRDRISVQWITOBY-YDZHTSKRSA-N 0 0 391.268 6.316 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(Cc2ccccc2)C12CCCCC2 ZINC000013739574 524244998 /nfs/dbraw/zinc/24/49/98/524244998.db2.gz DWDLGELYAIBMMJ-UHFFFAOYSA-N 0 0 377.557 5.427 50 30 GKEARN Cc1cc(C)c(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)c(C)c1 ZINC000101349937 524276919 /nfs/dbraw/zinc/27/69/19/524276919.db2.gz PUNQNJMWQMIKJS-RIYZIHGNSA-N 0 0 391.696 5.589 50 30 GKEARN Cc1cccc(C)c1NC(=O)O/N=C(/COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000005943040 524292772 /nfs/dbraw/zinc/29/27/72/524292772.db2.gz WNIDICUCXTWRBH-NKFKGCMQSA-N 0 0 399.447 5.241 50 30 GKEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000002325502 524317039 /nfs/dbraw/zinc/31/70/39/524317039.db2.gz IVTVKOFCRNPTJS-XDSHLJPPSA-N 0 0 392.528 5.087 50 30 GKEARN COc1ccccc1CN=Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 ZINC000004410060 524326522 /nfs/dbraw/zinc/32/65/22/524326522.db2.gz OMKRRWLFZZGFFL-SSDVNMTOSA-N 0 0 377.391 5.284 50 30 GKEARN COc1ccccc1C(=O)Oc1ccc(F)cc1C(=O)/C=C/c1ccc(C)cc1 ZINC000004279006 524362367 /nfs/dbraw/zinc/36/23/67/524362367.db2.gz XCULTDKKGDVAOO-ACCUITESSA-N 0 0 390.410 5.258 50 30 GKEARN Cc1cccc(COc2ccccc2C=NNc2ccc(Br)cc2)c1 ZINC000004655954 524449636 /nfs/dbraw/zinc/44/96/36/524449636.db2.gz RXBXKGJQIZOXSD-OEAKJJBVSA-N 0 0 395.300 5.783 50 30 GKEARN Cc1ccc(CN2CCN(/N=C/c3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000020101745 524453458 /nfs/dbraw/zinc/45/34/58/524453458.db2.gz PGIXTEXPTDLBHA-TURZUDJPSA-N 0 0 393.534 5.453 50 30 GKEARN Cc1ccc(CN2CCN(/N=C\c3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000019826036 524455094 /nfs/dbraw/zinc/45/50/94/524455094.db2.gz PGIXTEXPTDLBHA-USHMODERSA-N 0 0 393.534 5.453 50 30 GKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2)c1 ZINC000102884596 524531094 /nfs/dbraw/zinc/53/10/94/524531094.db2.gz HGJRIYVIAIVCTE-NYXOGCTQSA-N 0 0 395.458 5.178 50 30 GKEARN O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1cccc(N2CCOCC2)c1 ZINC000096794644 534791940 /nfs/dbraw/zinc/79/19/40/534791940.db2.gz PPTCGECTSVKPTL-NTMALXAHSA-N 0 0 393.870 5.333 50 30 GKEARN Cc1cc(C)nc(N=NCc2cccc3cccc(OCc4ccccc4)c32)n1 ZINC000004342390 524579225 /nfs/dbraw/zinc/57/92/25/524579225.db2.gz ODBAHLDXTQVMSG-MFKUBSTISA-N 0 0 382.467 5.272 50 30 GKEARN COc1ccccc1[C@@H](CC/N=C/c1ccccc1O)[C@H]1CCOC(C)(C)C1 ZINC000004027874 524729794 /nfs/dbraw/zinc/72/97/94/524729794.db2.gz RFBQGXKIZQGLDS-AGTHYRQBSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN Cc1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1 ZINC000002594729 524773007 /nfs/dbraw/zinc/77/30/07/524773007.db2.gz BMXQIVAJEMBBPU-AFUMVMLFSA-N 0 0 396.519 5.476 50 30 GKEARN COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000033634360 524798190 /nfs/dbraw/zinc/79/81/90/524798190.db2.gz CRICOUIPKPGWFW-XDJHFCHBSA-N 0 0 384.435 5.004 50 30 GKEARN Cc1cccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)nc21 ZINC000100507073 524994366 /nfs/dbraw/zinc/99/43/66/524994366.db2.gz BEEMSSYFEAGWMX-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN COc1ccc(Oc2ccc(NC=CC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000004607932 524994723 /nfs/dbraw/zinc/99/47/23/524994723.db2.gz ONOZTOJBINNGDC-CCEZHUSRSA-N 0 0 379.843 5.949 50 30 GKEARN Cc1ccccc1-c1nc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2o1 ZINC000098086900 525012809 /nfs/dbraw/zinc/01/28/09/525012809.db2.gz WZIDQZOGEXFXRW-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN Cc1ccccc1/N=C(C(=N/c1ccccc1C)/c1ccccc1)\c1ccccc1 ZINC000017193983 525041736 /nfs/dbraw/zinc/04/17/36/525041736.db2.gz DEUYSGWDVHBEOV-QAVVBOBSSA-N 0 0 388.514 7.245 50 30 GKEARN COc1ccc(Sc2ccc(/C=N/c3ccc4ccccc4c3)s2)cc1 ZINC000003106298 525112846 /nfs/dbraw/zinc/11/28/46/525112846.db2.gz LETZLJGKNGPWRH-HZHRSRAPSA-N 0 0 375.518 6.812 50 30 GKEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182500 525175452 /nfs/dbraw/zinc/17/54/52/525175452.db2.gz GEIUQPAZNKHPED-MXAYSNPKSA-N 0 0 395.458 5.682 50 30 GKEARN COc1ccc([C@@H](CC/N=C/c2ccccc2O)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004027839 525176752 /nfs/dbraw/zinc/17/67/52/525176752.db2.gz MFJRMYNIXYXNOJ-NOUCXIAYSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN Cc1ccccc1N1C(=S)N=C(Nc2c(C)cccc2C)C12CCCCC2 ZINC000013739485 525222243 /nfs/dbraw/zinc/22/22/43/525222243.db2.gz JSHARKBNEVPKHP-UHFFFAOYSA-N 0 0 377.557 5.739 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000018123013 525231671 /nfs/dbraw/zinc/23/16/71/525231671.db2.gz LVFBSAHSTUIEHZ-AFMDSPMNSA-N 0 0 396.490 5.675 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1 ZINC000020732266 525233929 /nfs/dbraw/zinc/23/39/29/525233929.db2.gz FCNAYAICRQMOHO-YWZLYKJASA-N 0 0 392.480 5.011 50 30 GKEARN COc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000017043573 525236426 /nfs/dbraw/zinc/23/64/26/525236426.db2.gz GNJHHOPKYPFAKR-HGJUWQSKSA-N 0 0 388.492 5.594 50 30 GKEARN COc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000005540831 525266468 /nfs/dbraw/zinc/26/64/68/525266468.db2.gz JAWNGGCVNXIWKM-BGEKPKEUSA-N 0 0 385.463 5.368 50 30 GKEARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc(N=[N+]=[N-])ncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000096345504 525313349 /nfs/dbraw/zinc/31/33/49/525313349.db2.gz NZGRZPZDCQETMU-ARAPHXRWSA-N 0 0 381.524 5.127 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000245241522 525349144 /nfs/dbraw/zinc/34/91/44/525349144.db2.gz HKMPOVRTHIXEAQ-AXDQOVJNSA-N 0 0 397.002 7.335 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1F)C2=O ZINC000245228821 525349238 /nfs/dbraw/zinc/34/92/38/525349238.db2.gz GEMAOHATSXXMSE-PXQWAQRQSA-N 0 0 394.530 5.712 50 30 GKEARN O=C1c2ccccc2CC/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000001035502 534853006 /nfs/dbraw/zinc/85/30/06/534853006.db2.gz IJUMEFAUBPDBRF-HEHNFIMWSA-N 0 0 376.459 5.752 50 30 GKEARN COc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000005540825 525428075 /nfs/dbraw/zinc/42/80/75/525428075.db2.gz JAWNGGCVNXIWKM-HPLNABNRSA-N 0 0 385.463 5.368 50 30 GKEARN Cc1ccn2c(/C=N/OCc3cccc(C)c3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000004024654 525607093 /nfs/dbraw/zinc/60/70/93/525607093.db2.gz ZPJDATPDJCXBKA-AFUMVMLFSA-N 0 0 389.886 5.822 50 30 GKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C/c2ccccc2C)cc1 ZINC000072314723 525711152 /nfs/dbraw/zinc/71/11/52/525711152.db2.gz GQKYULSUHPIKQW-WUKNDPDISA-N 0 0 377.487 6.723 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(O)cc3)n2)cc1 ZINC000004947464 525714445 /nfs/dbraw/zinc/71/44/45/525714445.db2.gz YTVOBPGWBIWTKL-PCLIKHOPSA-N 0 0 380.451 5.271 50 30 GKEARN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)c1 ZINC000005013965 525729094 /nfs/dbraw/zinc/72/90/94/525729094.db2.gz JIOCEHJFDORJBK-SEYXRHQNSA-N 0 0 386.476 5.506 50 30 GKEARN Cc1c(Cl)cccc1/N=C/c1ccc(/C=N/c2cccc(Cl)c2C)cc1 ZINC000017060287 525749831 /nfs/dbraw/zinc/74/98/31/525749831.db2.gz POYDXDCMYRWHAH-BKHCZYBLSA-N 0 0 381.306 7.111 50 30 GKEARN Cc1c(Cl)cccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097944217 525761649 /nfs/dbraw/zinc/76/16/49/525761649.db2.gz IUANTEMRJKERSQ-UHFFFAOYSA-N 0 0 387.629 5.055 50 30 GKEARN COc1cccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c1 ZINC000002833929 525764517 /nfs/dbraw/zinc/76/45/17/525764517.db2.gz HTYCPQVQMBQMBB-YBEGLDIGSA-N 0 0 375.902 5.252 50 30 GKEARN COc1cccc(C=CC(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)c1 ZINC000098042400 525769960 /nfs/dbraw/zinc/76/99/60/525769960.db2.gz MBMMYTJTNKTNHP-OWBHPGMISA-N 0 0 395.458 5.821 50 30 GKEARN COc1cccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000005069071 525773118 /nfs/dbraw/zinc/77/31/18/525773118.db2.gz MLRLNVXUIAIYEI-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1OCc1ccc(F)cc1 ZINC000000681043 525775681 /nfs/dbraw/zinc/77/56/81/525775681.db2.gz PPDCUEFGHQJDMT-AFUMVMLFSA-N 0 0 392.430 5.122 50 30 GKEARN Cc1ccsc1/C=C(\C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000033880928 525814429 /nfs/dbraw/zinc/81/44/29/525814429.db2.gz LFQLTGGMQJCGNX-FOWTUZBSSA-N 0 0 378.884 6.010 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O ZINC000013769290 525816801 /nfs/dbraw/zinc/81/68/01/525816801.db2.gz DZEDKQKZFMWRDN-ODLFYWEKSA-N 0 0 382.868 5.905 50 30 GKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cl)ccc1O ZINC000100511267 525822925 /nfs/dbraw/zinc/82/29/25/525822925.db2.gz HSSJBYZBZFVZRF-BHGWPJFGSA-N 0 0 397.261 6.566 50 30 GKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 ZINC000012662990 525839755 /nfs/dbraw/zinc/83/97/55/525839755.db2.gz HPUKMMWKEJWFSJ-LUIQNUNFSA-N 0 0 398.414 5.087 50 30 biogenic GKEARN COc1cccc(C(=O)Oc2ccc(C)cc2C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000004279034 525840702 /nfs/dbraw/zinc/84/07/02/525840702.db2.gz DYGYGCYGSZVGSZ-FMIVXFBMSA-N 0 0 390.410 5.258 50 30 GKEARN Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000005617808 525848627 /nfs/dbraw/zinc/84/86/27/525848627.db2.gz KNKPFWPHMRAHPE-MYYIXICXSA-N 0 0 391.417 5.638 50 30 GKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccccc1)C2=O ZINC000253534300 525914652 /nfs/dbraw/zinc/91/46/52/525914652.db2.gz PORULZDRKHXBSZ-AZBMKGDJSA-N 0 0 376.540 5.573 50 30 GKEARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)C=CNc1ccc(Cl)cc1 ZINC000100096491 525923090 /nfs/dbraw/zinc/92/30/90/525923090.db2.gz MIGPSMVPSKDBFH-VUSFMPOISA-N 0 0 395.861 6.108 50 30 GKEARN Cc1c2c(ccc1OCc1ccccc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182533 525935416 /nfs/dbraw/zinc/93/54/16/525935416.db2.gz WIGDDBHDTGMHSO-OYKKKHCWSA-N 0 0 395.458 5.682 50 30 GKEARN Cc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)o1 ZINC000004302707 525947156 /nfs/dbraw/zinc/94/71/56/525947156.db2.gz ZPQUQNQLBZTHPY-XSFVSMFZSA-N 0 0 387.435 5.940 50 30 GKEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000005524162 525949204 /nfs/dbraw/zinc/94/92/04/525949204.db2.gz VJPFKSZWOWLYJB-OVCLIPMQSA-N 0 0 387.504 5.865 50 30 GKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000009302748 525959276 /nfs/dbraw/zinc/95/92/76/525959276.db2.gz YZTYCPVDCNEKPX-TZOKSIDISA-N 0 0 382.415 5.230 50 30 GKEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)o1 ZINC000013655344 525959871 /nfs/dbraw/zinc/95/98/71/525959871.db2.gz SMCDVRYDLMUPIG-FBHDLOMBSA-N 0 0 383.488 5.024 50 30 GKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc1Cl ZINC000015016571 525970175 /nfs/dbraw/zinc/97/01/75/525970175.db2.gz NFFFTVZAXQKVNA-ZDLGFXPLSA-N 0 0 386.904 5.327 50 30 GKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1Cl ZINC000015016539 525971091 /nfs/dbraw/zinc/97/10/91/525971091.db2.gz HYSKWQCBKJQZKG-NVNXTCNLSA-N 0 0 381.259 5.333 50 30 GKEARN Cc1c2ccccc2n2c1C(=NOC(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000012368966 525975128 /nfs/dbraw/zinc/97/51/28/525975128.db2.gz LFSWFIFUXHMMPG-KQWNVCNZSA-N 0 0 388.254 5.613 50 30 GKEARN Cc1ccc(C(=O)CC(c2ccccc2)=C2CCCc3ccccc3C2=O)cc1 ZINC000012367658 526018391 /nfs/dbraw/zinc/01/83/91/526018391.db2.gz VQAGNRFQGJXVHC-OCOZRVBESA-N 0 0 380.487 6.241 50 30 GKEARN COc1cccc(CO/N=C/c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)c1 ZINC000022873189 526046675 /nfs/dbraw/zinc/04/66/75/526046675.db2.gz MVTDQORWKMWNCL-LGJNPRDNSA-N 0 0 386.373 5.327 50 30 GKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 ZINC000009317495 526210123 /nfs/dbraw/zinc/21/01/23/526210123.db2.gz CDCCTBKHXGWFTL-FYSMJZIKSA-N 0 0 398.462 5.346 50 30 GKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)cc1 ZINC000009422068 526298887 /nfs/dbraw/zinc/29/88/87/526298887.db2.gz NTAVTQYFCKOBOJ-ITIYWKAFSA-N 0 0 382.419 5.559 50 30 GKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000096562001 526369980 /nfs/dbraw/zinc/36/99/80/526369980.db2.gz SIZOZPLKSUFMNB-FOKLQQMPSA-N 0 0 383.234 6.258 50 30 GKEARN Fc1cccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)c1 ZINC000100501689 526381292 /nfs/dbraw/zinc/38/12/92/526381292.db2.gz NIAVBMPVIZSHCN-YSURURNPSA-N 0 0 394.789 5.767 50 30 GKEARN S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1c(Cl)cccc1Cl ZINC000009320664 526387151 /nfs/dbraw/zinc/38/71/51/526387151.db2.gz LHKBVWPIOOYXED-UFWORHAWSA-N 0 0 383.691 5.450 50 30 GKEARN O=C(NCCc1ccccc1)c1c(/N=C\c2ccccc2)sc2c1CCCC2 ZINC000004727602 526425863 /nfs/dbraw/zinc/42/58/63/526425863.db2.gz HIADRAPBDHOMGG-ONUIUJJFSA-N 0 0 388.536 5.350 50 30 GKEARN N#CC(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000103612457 526427961 /nfs/dbraw/zinc/42/79/61/526427961.db2.gz HWFUFYSVCPLRPX-FYJGNVAPSA-N 0 0 387.053 5.475 50 30 GKEARN C=C(Br)Cn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000012343621 526429573 /nfs/dbraw/zinc/42/95/73/526429573.db2.gz RYRGUXIZJYXVSK-UHFFFAOYSA-N 0 0 377.285 5.689 50 30 GKEARN O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000001052220 526440215 /nfs/dbraw/zinc/44/02/15/526440215.db2.gz VGQKBOUCZWTQBM-LPYMAVHISA-N 0 0 380.787 5.218 50 30 GKEARN N#CCCN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000002626180 526450224 /nfs/dbraw/zinc/45/02/24/526450224.db2.gz WRBZZERGWLEUHV-UHFFFAOYSA-N 0 0 383.275 5.171 50 30 GKEARN N#CCCn1cc(C(=O)N(c2ccccc2)c2ccccc2)c(-c2cccs2)n1 ZINC000005050272 526467846 /nfs/dbraw/zinc/46/78/46/526467846.db2.gz MZODILOWYABBCH-UHFFFAOYSA-N 0 0 398.491 5.504 50 30 GKEARN N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000059267164 526475194 /nfs/dbraw/zinc/47/51/94/526475194.db2.gz YUZWDWMLNKUICX-GJYPPUQNSA-N 0 0 399.263 5.317 50 30 GKEARN c1ccc(N=NC2CCCC[C@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000017206420 526479862 /nfs/dbraw/zinc/47/98/62/526479862.db2.gz ZWMBAKDHUIYDKE-ZVWPYCHMSA-N 0 0 386.543 6.224 50 30 GKEARN c1ccc(N=NC2CCCC[C@@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000017206417 526480036 /nfs/dbraw/zinc/48/00/36/526480036.db2.gz ZWMBAKDHUIYDKE-ROQGBUDQSA-N 0 0 386.543 6.224 50 30 GKEARN c1ccc(N=NC(=C(NNc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000100730576 526480141 /nfs/dbraw/zinc/48/01/41/526480141.db2.gz ZYBRJAQAIDDAIV-XDHTVYJESA-N 0 0 390.490 6.019 50 30 GKEARN c1ccc(N=NC2CCCC[C@]23C[C@@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000017206414 526480160 /nfs/dbraw/zinc/48/01/60/526480160.db2.gz ZWMBAKDHUIYDKE-JGTOLFMTSA-N 0 0 386.543 6.224 50 30 GKEARN N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000095465130 526483371 /nfs/dbraw/zinc/48/33/71/526483371.db2.gz BWWGEWCVJYNQOR-ZWKOTPCHSA-N 0 0 392.890 5.195 50 30 GKEARN N#C[C@@H](CNc1ccc(NC[C@H](C#N)c2cccs2)cc1)c1cccs1 ZINC000025763242 526495325 /nfs/dbraw/zinc/49/53/25/526495325.db2.gz ZMIQCZRHVKQHDD-HOTGVXAUSA-N 0 0 378.526 5.248 50 30 GKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cccc(Br)c1 ZINC000018063325 526505124 /nfs/dbraw/zinc/50/51/24/526505124.db2.gz FFFOTQAXWCQGSE-RGVLZGJSSA-N 0 0 386.318 5.691 50 30 GKEARN N#Cc1c(/N=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000100164834 526516771 /nfs/dbraw/zinc/51/67/71/526516771.db2.gz VGYTZYOWCSRDCT-OEAKJJBVSA-N 0 0 394.500 5.148 50 30 GKEARN N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000017264818 526517458 /nfs/dbraw/zinc/51/74/58/526517458.db2.gz VQOVOQANRHDVIF-JVWAILMASA-N 0 0 382.850 6.889 50 30 GKEARN Cc1nc(/C=C\c2cccc(C#N)c2)sc1C(=O)/C=C/c1cccc(C#N)c1 ZINC000096402178 526627561 /nfs/dbraw/zinc/62/75/61/526627561.db2.gz WFJGFTZVNVGONM-GOOGBFEESA-N 0 0 381.460 5.261 50 30 GKEARN Cc1oc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c1C ZINC000100251823 526754039 /nfs/dbraw/zinc/75/40/39/526754039.db2.gz CMJPFNMDWMCPBK-FSJBWODESA-N 0 0 375.384 5.006 50 30 GKEARN C=C(Cl)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 ZINC000006911381 526891065 /nfs/dbraw/zinc/89/10/65/526891065.db2.gz PJWQLGKCWXRMNG-UHFFFAOYSA-N 0 0 392.956 5.249 50 30 GKEARN ClC(=CNCc1ccccc1)C(=NCc1ccccc1)NCc1ccccc1 ZINC000003130550 526923742 /nfs/dbraw/zinc/92/37/42/526923742.db2.gz TUTFRXAVVDQPQI-LGUFXXKBSA-N 0 0 389.930 5.245 50 30 GKEARN Clc1ccc(-c2ccc(C=NNc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000009330099 526932405 /nfs/dbraw/zinc/93/24/05/526932405.db2.gz MVPUMVOVAMBUHR-WSDLNYQXSA-N 0 0 379.872 5.591 50 30 GKEARN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100436924 526938378 /nfs/dbraw/zinc/93/83/78/526938378.db2.gz FJBJZTKHQVRSBI-SXZIKPQKSA-N 0 0 387.508 5.715 50 30 GKEARN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000013536866 526940048 /nfs/dbraw/zinc/94/00/48/526940048.db2.gz QJHGBQKMCMTSOX-IVTNFPRSSA-N 0 0 382.916 5.887 50 30 GKEARN Clc1ccc(C#CCSc2nc(-c3cccc4ccccc43)no2)cc1 ZINC000025185560 526940719 /nfs/dbraw/zinc/94/07/19/526940719.db2.gz WKUOYBKOGANLLZ-UHFFFAOYSA-N 0 0 376.868 5.687 50 30 GKEARN O=C1/C(=C/c2ccccc2F)CC(c2ccccc2)C/C1=C\c1ccccc1F ZINC000004826394 526943124 /nfs/dbraw/zinc/94/31/24/526943124.db2.gz SWCZCLPRJFWGGH-HOFJZWJUSA-N 0 0 386.441 6.579 50 30 GKEARN Clc1ccc(CN2CCN(/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019791180 526945738 /nfs/dbraw/zinc/94/57/38/526945738.db2.gz LIXNRYYPOAIZAN-NLRVBDNBSA-N 0 0 389.930 5.159 50 30 GKEARN O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1CN1CCCCCC1 ZINC000016545730 526949256 /nfs/dbraw/zinc/94/92/56/526949256.db2.gz VNIYKAPZBCZFHA-LCUIJRPUSA-N 0 0 383.495 5.141 50 30 GKEARN O=C(COc1ccc(Cl)cc1Cl)ON=C1c2ccccc2-c2ccccc21 ZINC000003042451 526956108 /nfs/dbraw/zinc/95/61/08/526956108.db2.gz QZPKFOFDKNOAQL-UHFFFAOYSA-N 0 0 398.245 5.348 50 30 GKEARN O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000102889076 526956320 /nfs/dbraw/zinc/95/63/20/526956320.db2.gz CKWXBRIQICOTIP-VCLBYKBQSA-N 0 0 399.421 5.008 50 30 GKEARN Clc1ccc2nc(N=NCc3cc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000017138564 526969919 /nfs/dbraw/zinc/96/99/19/526969919.db2.gz HWPNLPRLZHPIJI-AFUMVMLFSA-N 0 0 397.869 5.878 50 30 GKEARN C=CCSC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004882986 526977882 /nfs/dbraw/zinc/97/78/82/526977882.db2.gz XRNXFIMJEWTSGS-PDGQHHTCSA-N 0 0 398.915 5.320 50 30 GKEARN O=C1C[C@@H](c2cccc(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017043620 527022628 /nfs/dbraw/zinc/02/26/28/527022628.db2.gz SBWUCTYDMXDFEW-HNWIBAKRSA-N 0 0 376.456 5.725 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017043600 527023394 /nfs/dbraw/zinc/02/33/94/527023394.db2.gz POHPXYZLFBMKPC-HNWIBAKRSA-N 0 0 376.456 5.725 50 30 GKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1c[nH]c2ccccc12 ZINC000018141714 527043941 /nfs/dbraw/zinc/04/39/41/527043941.db2.gz FTRBKXVTXVYZAO-OVCLIPMQSA-N 0 0 388.279 5.366 50 30 GKEARN C=CCCC(=O)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 ZINC000023305529 527068697 /nfs/dbraw/zinc/06/86/97/527068697.db2.gz VAVWSVOTGXIOOT-UHFFFAOYSA-N 0 0 390.502 5.501 50 30 GKEARN O=C1ON(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 ZINC000006720876 527099831 /nfs/dbraw/zinc/09/98/31/527099831.db2.gz GXRWGKXANRJSCZ-HXUWFJFHSA-N 0 0 394.814 5.146 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000033333453 527099860 /nfs/dbraw/zinc/09/98/60/527099860.db2.gz KJJWPCRUSOFZDL-SFQUDFHCSA-N 0 0 394.224 5.054 50 30 GKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(OC2CCCC2)cc1 ZINC000004953562 527103698 /nfs/dbraw/zinc/10/36/98/527103698.db2.gz OQCLGWCPNATLAJ-ZHZULCJRSA-N 0 0 395.549 5.912 50 30 GKEARN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000006567056 527117202 /nfs/dbraw/zinc/11/72/02/527117202.db2.gz QRPPVVILVWRKMT-AUSIDOKSSA-N 0 0 397.503 5.283 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000013208223 527128230 /nfs/dbraw/zinc/12/82/30/527128230.db2.gz PNVHZFNRJVJAMC-UHFFFAOYSA-N 0 0 395.336 5.355 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1cccc(Cl)c1Cl ZINC000096766956 527134114 /nfs/dbraw/zinc/13/41/14/527134114.db2.gz PDGHIISZXMSUPZ-OEHGHSTBSA-N 0 0 381.258 6.393 50 30 GKEARN O=C(Nc1ccc(Cl)cc1)O/N=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000001024197 527180290 /nfs/dbraw/zinc/18/02/90/527180290.db2.gz ADOZUZTWQWRARE-LSHDLFTRSA-N 0 0 376.746 5.461 50 30 GKEARN C=CCn1c(C)nnc1S[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000008394756 527304101 /nfs/dbraw/zinc/30/41/01/527304101.db2.gz YIRNDSNXJXQLKH-OAQYLSRUSA-N 0 0 377.513 5.106 50 30 GKEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(C)c(Cl)c1 ZINC000004740881 527336984 /nfs/dbraw/zinc/33/69/84/527336984.db2.gz MUUMSSFYUTXXSR-UHFFFAOYSA-N 0 0 383.904 5.068 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 ZINC000002403604 527342548 /nfs/dbraw/zinc/34/25/48/527342548.db2.gz XJZXXOZTGZYSFB-UHFFFAOYSA-N 0 0 377.300 5.125 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000002446252 527343354 /nfs/dbraw/zinc/34/33/54/527343354.db2.gz NSIMGAUNOGQEHZ-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 ZINC000002450597 527343469 /nfs/dbraw/zinc/34/34/69/527343469.db2.gz IMTYTAWZLLHLNU-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/[C@H]2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000018099956 527345526 /nfs/dbraw/zinc/34/55/26/527345526.db2.gz FEDSOFNUAPJYJU-NIQDBXHUSA-N 0 0 398.260 5.335 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)s1 ZINC000103637744 527346035 /nfs/dbraw/zinc/34/60/35/527346035.db2.gz BNZFOLJJBCLPMT-YDZHTSKRSA-N 0 0 399.431 6.368 50 30 GKEARN O=[N+]([O-])c1ccc(/N=C2/S/C(=N\C3CCCCC3)N2C2CCCCC2)cc1 ZINC000071770229 527346354 /nfs/dbraw/zinc/34/63/54/527346354.db2.gz BLTCLKLIOVAEOE-OLAQIDGISA-N 0 0 386.521 5.653 50 30 GKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc1 ZINC000005590474 527359983 /nfs/dbraw/zinc/35/99/83/527359983.db2.gz WASXPNSNZVCONF-AWQFTUOYSA-N 0 0 377.187 5.003 50 30 GKEARN O=[N+]([O-])c1cccc(N=NCN=Nc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000101187850 527384806 /nfs/dbraw/zinc/38/48/06/527384806.db2.gz BAXRTICFZAJOEK-QXDZMASPSA-N 0 0 399.414 5.132 50 30 GKEARN O=C(Nc1ccccc1SC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097950365 527435805 /nfs/dbraw/zinc/43/58/05/527435805.db2.gz HCGJTBMHDVMMCB-UHFFFAOYSA-N 0 0 389.214 5.070 50 30 GKEARN O=C(N=C(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004946846 527449044 /nfs/dbraw/zinc/44/90/44/527449044.db2.gz VZEHZVDNJGSGAG-UHFFFAOYSA-N 0 0 389.454 5.595 50 30 GKEARN O=c1oc2ccccc2c(NC2CCCCC2)c1NC([O-])=[NH+]c1ccc(F)cc1 ZINC000028048648 527499996 /nfs/dbraw/zinc/49/99/96/527499996.db2.gz XWEYHVNNXLJDSX-UHFFFAOYSA-N 0 0 395.434 5.334 50 30 GKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccccc2Cl)n1 ZINC000013799768 527500022 /nfs/dbraw/zinc/50/00/22/527500022.db2.gz XISIYVMTYZMATQ-FBHDLOMBSA-N 0 0 381.844 5.016 50 30 GKEARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)C(F)(F)F ZINC000017208879 527585124 /nfs/dbraw/zinc/58/51/24/527585124.db2.gz QDRMTATYXSDTAS-UHFFFAOYSA-N 0 0 385.411 5.315 50 30 GKEARN O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000013765231 527586238 /nfs/dbraw/zinc/58/62/38/527586238.db2.gz XKCFTEYTAQJUBW-UHFFFAOYSA-N 0 0 391.858 5.405 50 30 GKEARN O=C(/C(=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1)c1ccccc1 ZINC000033414316 527590565 /nfs/dbraw/zinc/59/05/65/527590565.db2.gz XDTKSUPIIXUCLO-SAPNQHFASA-N 0 0 386.432 5.628 50 30 GKEARN O=C(C=CNc1ccc(F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000100417307 527598773 /nfs/dbraw/zinc/59/87/73/527598773.db2.gz YDODHIHOELYTOB-OUKQBFOZSA-N 0 0 399.824 6.006 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 ZINC000005101540 527604329 /nfs/dbraw/zinc/60/43/29/527604329.db2.gz JZYAQLPWKDOPJV-SOFGYWHQSA-N 0 0 377.440 5.654 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(N2CCCC2=O)cc1 ZINC000012774489 527605002 /nfs/dbraw/zinc/60/50/02/527605002.db2.gz NNCNAGWMTWVFON-ACCUITESSA-N 0 0 375.399 5.109 50 30 GKEARN O=C(/C=C/c1cccc2ccccc12)c1ccc(OC(=O)c2cccs2)cc1 ZINC000004118242 527629372 /nfs/dbraw/zinc/62/93/72/527629372.db2.gz ZFKKCGFAMRHOSB-NTCAYCPXSA-N 0 0 384.456 6.017 50 30 GKEARN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 ZINC000013987644 527635700 /nfs/dbraw/zinc/63/57/00/527635700.db2.gz XVOVQMXJRXWHJZ-BUHFOSPRSA-N 0 0 386.378 5.687 50 30 GKEARN O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(Br)cc1 ZINC000005072979 527636762 /nfs/dbraw/zinc/63/67/62/527636762.db2.gz RSQGKPWNIDDQQL-NTCAYCPXSA-N 0 0 393.280 5.924 50 30 GKEARN O=C(/C=C/c1ccco1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012574558 527640839 /nfs/dbraw/zinc/64/08/39/527640839.db2.gz VKSIEYGUUJSVOK-BQYQJAHWSA-N 0 0 399.494 5.224 50 30 GKEARN O=C(/C=C\c1ccc(-c2cccc(Cl)c2)o1)c1cc(Cl)ccc1Cl ZINC000033732866 527653702 /nfs/dbraw/zinc/65/37/02/527653702.db2.gz YJFXIJZTFCPNKU-YVMONPNESA-N 0 0 377.654 6.803 50 30 GKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000096767062 527653767 /nfs/dbraw/zinc/65/37/67/527653767.db2.gz RHVLTWHGEZLFLV-LUAWRHEFSA-N 0 0 393.870 5.333 50 30 GKEARN O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCOCC2)cc1 ZINC000096767040 527653852 /nfs/dbraw/zinc/65/38/52/527653852.db2.gz YMYNOZINEWLNKX-LUAWRHEFSA-N 0 0 393.870 5.333 50 30 GKEARN O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1Br ZINC000033444856 527654255 /nfs/dbraw/zinc/65/42/55/527654255.db2.gz LFDAUCLOXZWKOS-LUAWRHEFSA-N 0 0 387.660 6.259 50 30 GKEARN O=C(/C=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1cccs1 ZINC000033436669 527654294 /nfs/dbraw/zinc/65/42/94/527654294.db2.gz KKELUGZUYULYMJ-DAXSKMNVSA-N 0 0 382.790 6.576 50 30 GKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccs1 ZINC000004724667 527658719 /nfs/dbraw/zinc/65/87/19/527658719.db2.gz RMNYCESKDIXNLM-SEYXRHQNSA-N 0 0 396.471 6.243 50 30 GKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000095682191 527661987 /nfs/dbraw/zinc/66/19/87/527661987.db2.gz JTYRBFORUCBNHJ-UHFFFAOYSA-N 0 0 398.944 5.078 50 30 GKEARN FC(F)(F)c1cnc(CO/N=C/c2c(Cl)cccc2Cl)c(Cl)c1 ZINC000004324217 527688722 /nfs/dbraw/zinc/68/87/22/527688722.db2.gz WNPBFYUVWOYCPD-GEVRCRHISA-N 0 0 383.584 5.611 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004919100 528048916 /nfs/dbraw/zinc/04/89/16/528048916.db2.gz PFHATXYHMZUSRK-ISKFKSNPSA-N 0 0 392.495 5.138 50 30 GKEARN CCCCCCCC(=O)NCc1cccc(-c2nc(-c3ccccc3)c[nH]2)c1 ZINC000097940618 528119652 /nfs/dbraw/zinc/11/96/52/528119652.db2.gz CNRZBUQOFSSLGO-UHFFFAOYSA-N 0 0 375.516 5.720 50 30 GKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1 ZINC000098021518 528120089 /nfs/dbraw/zinc/12/00/89/528120089.db2.gz XWDRRCZGNITFKJ-UHFFFAOYSA-N 0 0 375.944 6.122 50 30 GKEARN CCCCCCCCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000097942936 528126244 /nfs/dbraw/zinc/12/62/44/528126244.db2.gz XSHJYPYTGUBQSQ-QHCPKHFHSA-N 0 0 383.601 6.777 50 30 GKEARN CCCCCCCNC(=O)CCCCCCCC(=O)NCCCCCCC ZINC000097940266 528134200 /nfs/dbraw/zinc/13/42/00/528134200.db2.gz VMDNWJSYCKURAD-UHFFFAOYSA-N 0 0 382.633 5.890 50 30 GKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000097939890 528134609 /nfs/dbraw/zinc/13/46/09/528134609.db2.gz VPJLOADVTAJGRE-GOSISDBHSA-N 0 0 397.515 5.372 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc(O)c4)c3c2C1 ZINC000005205171 528601716 /nfs/dbraw/zinc/60/17/16/528601716.db2.gz LBJIJJHEFFVDTQ-JNXALSOLSA-N 0 0 394.544 5.384 50 30 GKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002270952 560186654 /nfs/dbraw/zinc/18/66/54/560186654.db2.gz UYKHSYATOFJBMB-MRXNPFEDSA-N 0 0 388.492 5.331 50 30 biogenic,in-vitro GKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000006920385 560206459 /nfs/dbraw/zinc/20/64/59/560206459.db2.gz IRHTZOCLLONTOC-UHFFFAOYSA-N 0 0 382.717 9.361 50 30 biogenic,in-vitro GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc(Cl)c1 ZINC000019720923 570211572 /nfs/dbraw/zinc/21/15/72/570211572.db2.gz ZUTVWOHPBYHFNM-CTNGQTDRSA-N 0 0 389.882 5.382 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000709505 570219271 /nfs/dbraw/zinc/21/92/71/570219271.db2.gz ANMLZPLSKAQSBD-RXFWQSSRSA-N 0 0 380.491 5.975 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000720484 570220135 /nfs/dbraw/zinc/22/01/35/570220135.db2.gz DXENZYXDGKOORP-HXUWFJFHSA-N 0 0 386.948 6.240 50 30 GKEARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/Cc2ccccc2)S1 ZINC000000721900 570220472 /nfs/dbraw/zinc/22/04/72/570220472.db2.gz RCWHBHZPGXZJLP-LCDJAWGCSA-N 0 0 394.327 5.519 50 30 GKEARN CCOC(=O)c1c(/N=C/c2ccc3ccccc3c2O)sc2c1CCCC2 ZINC000000727317 570221402 /nfs/dbraw/zinc/22/14/02/570221402.db2.gz HDZXZNQBMRSFAP-YDZHTSKRSA-N 0 0 379.481 5.413 50 30 GKEARN COc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000000785148 570223086 /nfs/dbraw/zinc/22/30/86/570223086.db2.gz MJZDWFATHGSHEE-DEOSSOPVSA-N 0 0 384.479 5.553 50 30 GKEARN O=C(/C=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc2ccccc2c1 ZINC000005280550 570224595 /nfs/dbraw/zinc/22/45/95/570224595.db2.gz QIZHVBFYHMWNDK-NTEUORMPSA-N 0 0 384.456 6.017 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000815792 570224786 /nfs/dbraw/zinc/22/47/86/570224786.db2.gz NPWLIISVSZVNHR-CMJOXMDJSA-N 0 0 390.483 5.867 50 30 GKEARN COc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000820279 570225152 /nfs/dbraw/zinc/22/51/52/570225152.db2.gz DPKWKMOIEYMTCS-QHCPKHFHSA-N 0 0 383.491 6.049 50 30 GKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000883177 570228188 /nfs/dbraw/zinc/22/81/88/570228188.db2.gz USDNQVRLHNGZGC-WXTAPIANSA-N 0 0 396.490 5.675 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccc3ncccc3c12 ZINC000000924080 570229993 /nfs/dbraw/zinc/22/99/93/570229993.db2.gz PPTDQWOCDLUAMI-JOCHJYFZSA-N 0 0 394.396 5.927 50 30 GKEARN COc1cccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000975451 570232586 /nfs/dbraw/zinc/23/25/86/570232586.db2.gz TXWICOHHEWHAAY-QHCPKHFHSA-N 0 0 383.491 6.049 50 30 GKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000011614471 570234716 /nfs/dbraw/zinc/23/47/16/570234716.db2.gz LZLNHLFRHBRJCY-UXHLKONMSA-N 0 0 381.431 6.164 50 30 GKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1cccc(C)c1 ZINC000012654272 570237998 /nfs/dbraw/zinc/23/79/98/570237998.db2.gz RXFXYJQTRRETMI-UHFFFAOYSA-N 0 0 398.919 5.083 50 30 GKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001048220 570238580 /nfs/dbraw/zinc/23/85/80/570238580.db2.gz OILBWVRTXSNGNC-UHFFFAOYSA-N 0 0 394.511 5.486 50 30 GKEARN C=C(Br)Cn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000013039587 570240268 /nfs/dbraw/zinc/24/02/68/570240268.db2.gz CYGOQPMQKLXOKI-QGZVFWFLSA-N 0 0 397.360 6.295 50 30 GKEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006087690 570240629 /nfs/dbraw/zinc/24/06/29/570240629.db2.gz HJQVWAADMBIHEZ-GWKODMSMSA-N 0 0 385.507 5.778 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 ZINC000001077135 570241080 /nfs/dbraw/zinc/24/10/80/570241080.db2.gz SCMSLUAOQWQNCY-DWXRJYCRSA-N 0 0 398.481 6.114 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 ZINC000001077126 570241124 /nfs/dbraw/zinc/24/11/24/570241124.db2.gz SCMSLUAOQWQNCY-WXTAPIANSA-N 0 0 398.481 6.114 50 30 GKEARN Clc1ccc(-c2csc(N=NCc3c(Cl)cccc3Cl)n2)cc1 ZINC000005756645 570250338 /nfs/dbraw/zinc/25/03/38/570250338.db2.gz KHLAKIKEZPUBJS-ZBKNUEDVSA-N 0 0 382.703 6.216 50 30 GKEARN C=C(Br)Cn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000000710236 570250435 /nfs/dbraw/zinc/25/04/35/570250435.db2.gz PNNFLNQXEYUODN-UHFFFAOYSA-N 0 0 393.284 5.677 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001174246 570253653 /nfs/dbraw/zinc/25/36/53/570253653.db2.gz HFGVGOYCAPGWAA-HSZRJFAPSA-N 0 0 399.450 5.453 50 30 GKEARN O/N=C(\CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000020413848 570254858 /nfs/dbraw/zinc/25/48/58/570254858.db2.gz CVPWLSTUJJUXMV-PBBVDAKRSA-N 0 0 392.502 5.447 50 30 GKEARN O=C(Nc1ccccc1)C1C(=O)C[C@@H](c2ccccc2)CC1=Nc1ccccc1 ZINC000001410825 570262112 /nfs/dbraw/zinc/26/21/12/570262112.db2.gz KRERAPVMLPSRFQ-IBGZPJMESA-N 0 0 382.463 5.138 50 30 GKEARN N#CC(Cl)(Cl)[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000019227783 570263275 /nfs/dbraw/zinc/26/32/75/570263275.db2.gz VWNFQMMJAZMEDY-JOCHJYFZSA-N 0 0 395.333 6.128 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1C ZINC000001445297 570263472 /nfs/dbraw/zinc/26/34/72/570263472.db2.gz YWPZWJJROAFGPC-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000100023195 570264909 /nfs/dbraw/zinc/26/49/09/570264909.db2.gz OPJWPPVYCOPDCM-RUZDIDTESA-N 0 0 396.700 9.008 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000100023189 570264985 /nfs/dbraw/zinc/26/49/85/570264985.db2.gz OPJWPPVYCOPDCM-VWLOTQADSA-N 0 0 396.700 9.008 50 30 GKEARN N#C[C@H](C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001622567 570266116 /nfs/dbraw/zinc/26/61/16/570266116.db2.gz IHHKPRYLKAUDQK-AWEZNQCLSA-N 0 0 395.673 5.242 50 30 GKEARN CCCCCCCOc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000053291667 570268434 /nfs/dbraw/zinc/26/84/34/570268434.db2.gz FVIBAUDVLFGHNI-UHFFFAOYSA-N 0 0 399.560 5.748 50 30 GKEARN Cc1ccc(/N=C/c2ccc3ccccc3c2)cc1/N=C/c1ccc2ccccc2c1 ZINC000001948974 570270789 /nfs/dbraw/zinc/27/07/89/570270789.db2.gz BXEIIIKWUSWTQZ-LVXWCJCWSA-N 0 0 398.509 7.803 50 30 GKEARN C=C(CCC(=C)COCc1ccc(OC)cc1)COCc1ccc(OC)cc1 ZINC000043199209 570271385 /nfs/dbraw/zinc/27/13/85/570271385.db2.gz TXCMQJZMVNDUQP-UHFFFAOYSA-N 0 0 382.500 5.330 50 30 GKEARN CC1CCN(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1 ZINC000049640531 570271559 /nfs/dbraw/zinc/27/15/59/570271559.db2.gz OQOMGCVLBAUSPZ-UHFFFAOYSA-N 0 0 397.466 5.073 50 30 GKEARN C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC3=O)CC[C@H]2C)O[C@@H](Sc2ccccc2)C1 ZINC000071786318 570272337 /nfs/dbraw/zinc/27/23/37/570272337.db2.gz BZZIHBDJKCVSRV-HDMDDYEVSA-N 0 0 396.596 6.572 50 30 GKEARN C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC3=O)CC[C@H]2C)O[C@@H](Sc2ccccc2)C1 ZINC000071786320 570272361 /nfs/dbraw/zinc/27/23/61/570272361.db2.gz BZZIHBDJKCVSRV-PQSSVSIVSA-N 0 0 396.596 6.572 50 30 GKEARN CCCCCCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCCCC ZINC000104222759 570272640 /nfs/dbraw/zinc/27/26/40/570272640.db2.gz KWNPDHOSPASGHU-DFMRUSNLSA-N 0 0 390.484 6.378 50 30 GKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000002062880 570273138 /nfs/dbraw/zinc/27/31/38/570273138.db2.gz HYROIVDZJOLPEE-UHFFFAOYSA-N 0 0 393.483 5.231 50 30 GKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1 ZINC000005214810 570276984 /nfs/dbraw/zinc/27/69/84/570276984.db2.gz CBCZFYCPPVKDOX-CSKARUKUSA-N 0 0 387.660 6.259 50 30 GKEARN CC(C)(C)/N=C1\[C@H](N2CCCC2)C(C)(C)C(=S)N1c1ccccc1Cl ZINC000015861650 570278135 /nfs/dbraw/zinc/27/81/35/570278135.db2.gz KPOIIIAZYYLYRA-MXVUGKIDSA-N 0 0 377.985 5.175 50 30 GKEARN CCc1cccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000101092725 570281188 /nfs/dbraw/zinc/28/11/88/570281188.db2.gz ZZLJCYGUMYJWDX-UHFFFAOYSA-N 0 0 393.408 6.445 50 30 GKEARN COc1ccccc1[C@H]1N(c2ccccc2)OC(=O)N1c1cccc(Cl)c1 ZINC000006175010 570281353 /nfs/dbraw/zinc/28/13/53/570281353.db2.gz SKIZHDCFWFCMBW-HXUWFJFHSA-N 0 0 380.831 5.426 50 30 GKEARN COc1ccccc1[C@@H]1N(c2ccccc2)OC(=O)N1c1cccc(Cl)c1 ZINC000006174991 570281462 /nfs/dbraw/zinc/28/14/62/570281462.db2.gz SKIZHDCFWFCMBW-FQEVSTJZSA-N 0 0 380.831 5.426 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C12 ZINC000002359445 570284277 /nfs/dbraw/zinc/28/42/77/570284277.db2.gz WUOIUOZZGTZHLE-SANMLTNESA-N 0 0 391.495 6.706 50 30 GKEARN C=CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002743319 570285614 /nfs/dbraw/zinc/28/56/14/570285614.db2.gz MIRAELMWLIJDLU-JOCHJYFZSA-N 0 0 383.451 5.102 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C12 ZINC000002420613 570286603 /nfs/dbraw/zinc/28/66/03/570286603.db2.gz QONOCFSDGCFEPR-JOCHJYFZSA-N 0 0 375.880 6.207 50 30 GKEARN CSc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002472722 570288311 /nfs/dbraw/zinc/28/83/11/570288311.db2.gz VLCDJXYOZFLDTR-VWLOTQADSA-N 0 0 399.559 6.871 50 30 GKEARN S=C(N/N=C/c1cccc(OCc2ccccc2)c1)Nc1cccc(Cl)c1 ZINC000002542640 570290295 /nfs/dbraw/zinc/29/02/95/570290295.db2.gz GCCNEJKRHBMWKL-OEAKJJBVSA-N 0 0 395.915 5.240 50 30 GKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1O ZINC000014181560 570294743 /nfs/dbraw/zinc/29/47/43/570294743.db2.gz CMTYEEPNEOYLAB-SDNWHVSQSA-N 0 0 399.877 6.465 50 30 GKEARN CCC1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000004826413 570294754 /nfs/dbraw/zinc/29/47/54/570294754.db2.gz ICIAJDMCVXNUQA-GDAWTGGTSA-N 0 0 392.411 5.359 50 30 GKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1cccc(Cl)c1Cl ZINC000006192640 570299575 /nfs/dbraw/zinc/29/95/75/570299575.db2.gz BICOQRBSWPYLDY-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CCN1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C/c2ccc(SC)cc2)C1 ZINC000032945439 570301124 /nfs/dbraw/zinc/30/11/24/570301124.db2.gz SFORYGQDOYEGTA-IWGRKNQJSA-N 0 0 395.593 5.502 50 30 GKEARN C#CCOc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)cc1 ZINC000002834152 570305748 /nfs/dbraw/zinc/30/57/48/570305748.db2.gz DDKFXVNJPJKUEB-PDGQHHTCSA-N 0 0 399.924 5.256 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)sc2c1 ZINC000002842432 570307255 /nfs/dbraw/zinc/30/72/55/570307255.db2.gz CCNLNHZZUBDNQM-WYMPLXKRSA-N 0 0 397.330 7.329 50 30 GKEARN CC1(C)Cc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)cc2C(=O)C1 ZINC000000727982 570307713 /nfs/dbraw/zinc/30/77/13/570307713.db2.gz DXBCRRSOMGLTIR-UHFFFAOYSA-N 0 0 391.323 5.707 50 30 GKEARN C=CCN1N=C(c2cccc(C(F)(F)F)c2)SC=C1c1ccc(OC)cc1 ZINC000028527182 570309655 /nfs/dbraw/zinc/30/96/55/570309655.db2.gz SCILUKNTQPOTPT-UHFFFAOYSA-N 0 0 390.430 5.609 50 30 GKEARN Brc1ccc(C=NNc2nc3ccccc3c3ccccc32)cc1 ZINC000004834536 570310370 /nfs/dbraw/zinc/31/03/70/570310370.db2.gz PMVQGGABBDKPQJ-LPYMAVHISA-N 0 0 376.257 5.597 50 30 GKEARN CC1=CC(C)(C)NC(=S)N1c1ccc(C(=O)C=CC=Cc2ccccc2)cc1 ZINC000002898699 570317386 /nfs/dbraw/zinc/31/73/86/570317386.db2.gz BFHHVOWJGPSOOJ-MKICQXMISA-N 0 0 388.536 5.516 50 30 GKEARN Cc1cc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc12 ZINC000023410117 570322950 /nfs/dbraw/zinc/32/29/50/570322950.db2.gz LJJQLUSGQLGWDM-ZDUSSCGKSA-N 0 0 393.537 5.084 50 30 GKEARN Clc1ccccc1C=NNC(=Nc1ccccc1)c1nc2ccccc2s1 ZINC000002998778 570325244 /nfs/dbraw/zinc/32/52/44/570325244.db2.gz RREGHGDWKYJODD-OEAKJJBVSA-N 0 0 390.899 5.843 50 30 GKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000003049797 570326967 /nfs/dbraw/zinc/32/69/67/570326967.db2.gz ABMFRANAVZNRDC-WYMPLXKRSA-N 0 0 397.261 6.561 50 30 GKEARN Clc1cccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)c1Cl ZINC000003113153 570327310 /nfs/dbraw/zinc/32/73/10/570327310.db2.gz GLODTIMTTHRFMB-UAPAKVGBSA-N 0 0 393.273 7.217 50 30 GKEARN COc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OC)cc2)=N/O)cc1 ZINC000004843983 570328135 /nfs/dbraw/zinc/32/81/35/570328135.db2.gz CNGMHIHKRSWRMO-XNMKTSCDSA-N 0 0 398.503 5.491 50 30 GKEARN CCCCCCCCS(=O)(=O)N/N=C/c1c2ccccc2cc2ccccc21 ZINC000003173086 570328593 /nfs/dbraw/zinc/32/85/93/570328593.db2.gz AJJTVGKETXWNTC-HKOYGPOVSA-N 0 0 396.556 5.607 50 30 GKEARN O=C(Nc1ccc(C(F)(F)F)cc1)O/N=C/c1ccc(Cl)c(Cl)c1 ZINC000003135307 570330312 /nfs/dbraw/zinc/33/03/12/570330312.db2.gz DSOJOQYPVMIPOQ-ODCIPOBUSA-N 0 0 377.149 5.595 50 30 GKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c(Br)c3)ccc21 ZINC000003181643 570331461 /nfs/dbraw/zinc/33/14/61/570331461.db2.gz VIQDZFPEDXMDSS-ZVHZXABRSA-N 0 0 391.312 6.636 50 30 GKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O ZINC000003195839 570332298 /nfs/dbraw/zinc/33/22/98/570332298.db2.gz ZYOSTQUKRIEPKF-UHFFFAOYSA-N 0 0 393.483 5.313 50 30 GKEARN CCOc1cccc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O ZINC000000793666 570334407 /nfs/dbraw/zinc/33/44/07/570334407.db2.gz PASMYNXKNJNSEA-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000000801865 570342818 /nfs/dbraw/zinc/34/28/18/570342818.db2.gz KCVYURKCDSZROI-GOSISDBHSA-N 0 0 395.380 5.582 50 30 GKEARN N#Cc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000004852294 570347505 /nfs/dbraw/zinc/34/75/05/570347505.db2.gz JHCJMGFPBLKVLO-UHFFFAOYSA-N 0 0 392.245 6.268 50 30 GKEARN Cc1cc(=NN=Cc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)[nH]1 ZINC000004860343 570349848 /nfs/dbraw/zinc/34/98/48/570349848.db2.gz BOZKDGCBYCTNAJ-FSJBWODESA-N 0 0 386.286 5.150 50 30 GKEARN C=CCSC1=N/C(=C\c2ccccc2C)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004882970 570355876 /nfs/dbraw/zinc/35/58/76/570355876.db2.gz VQFKPDZLNTVMFR-PDGQHHTCSA-N 0 0 398.915 5.320 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004052425 570356004 /nfs/dbraw/zinc/35/60/04/570356004.db2.gz QJOLLQSZCDTEJS-VWLOTQADSA-N 0 0 388.555 6.649 50 30 GKEARN O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000004898698 570358631 /nfs/dbraw/zinc/35/86/31/570358631.db2.gz BGKXKNMOSPRRKN-OVCLIPMQSA-N 0 0 379.253 6.138 50 30 GKEARN C/C(=N/NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 ZINC000004897828 570359057 /nfs/dbraw/zinc/35/90/57/570359057.db2.gz UUFCDQIULQQIPQ-FMCGGJTJSA-N 0 0 388.323 5.857 50 30 GKEARN CCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004139924 570359481 /nfs/dbraw/zinc/35/94/81/570359481.db2.gz ZYFJVOADMFSCDM-QHCPKHFHSA-N 0 0 376.500 5.697 50 30 GKEARN Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)c1 ZINC000004154781 570360217 /nfs/dbraw/zinc/36/02/17/570360217.db2.gz FQBOBBUZZXBLGZ-SDNWHVSQSA-N 0 0 375.855 5.797 50 30 GKEARN COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004164432 570360470 /nfs/dbraw/zinc/36/04/70/570360470.db2.gz HOQJDAVLQVTCSY-QHCPKHFHSA-N 0 0 376.500 5.534 50 30 GKEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000004190232 570362380 /nfs/dbraw/zinc/36/23/80/570362380.db2.gz UDZAQHIEXNBBFA-BUUFFXLRSA-N 0 0 392.524 5.632 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 ZINC000004199721 570362708 /nfs/dbraw/zinc/36/27/08/570362708.db2.gz HALYYPSSMMGSJS-SIBVEZHUSA-N 0 0 396.490 5.680 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(C(C)C)cc1 ZINC000004918427 570365702 /nfs/dbraw/zinc/36/57/02/570365702.db2.gz HTSQXZDHJSRQEX-JTHBVZDNSA-N 0 0 380.459 5.268 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1c(F)cccc1Cl ZINC000004919999 570366323 /nfs/dbraw/zinc/36/63/23/570366323.db2.gz BDBNDHWIWLHYRZ-KKSFZXQISA-N 0 0 386.850 5.107 50 30 GKEARN CCn1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 ZINC000118928017 570368624 /nfs/dbraw/zinc/36/86/24/570368624.db2.gz ILNJYEIJHGACFY-WGNSLWEOSA-N 0 0 380.576 5.898 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccc(F)cc3)C12 ZINC000004386434 570372744 /nfs/dbraw/zinc/37/27/44/570372744.db2.gz XCMUYWXEEBJOJC-WNSKOXEYSA-N 0 0 399.425 5.184 50 30 GKEARN Fc1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl ZINC000004390244 570373140 /nfs/dbraw/zinc/37/31/40/570373140.db2.gz GTNIBGWRWSCCEQ-GEVRCRHISA-N 0 0 385.575 6.251 50 30 GKEARN CCOc1cccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)c1 ZINC000004413746 570374239 /nfs/dbraw/zinc/37/42/39/570374239.db2.gz GRKMGALGKBSTAH-JOCHJYFZSA-N 0 0 391.467 5.015 50 30 GKEARN N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000826897 570374665 /nfs/dbraw/zinc/37/46/65/570374665.db2.gz PQFBPYCPKLFLDP-UHFFFAOYSA-N 0 0 383.234 5.910 50 30 GKEARN CN(C)c1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000000826370 570376430 /nfs/dbraw/zinc/37/64/30/570376430.db2.gz SGDYCIWJERHIPC-OEAKJJBVSA-N 0 0 386.411 5.220 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccco1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004948417 570379434 /nfs/dbraw/zinc/37/94/34/570379434.db2.gz KNLAMGXQWHZMLW-JOCHJYFZSA-N 0 0 387.483 5.283 50 30 GKEARN CCC[C@@H]1c2c(C)nn(-c3ccccc3C(F)(F)F)c2NC2=C1C(=O)CCC2 ZINC000004948751 570379441 /nfs/dbraw/zinc/37/94/41/570379441.db2.gz VKWCBUUXIKJYCN-CYBMUJFWSA-N 0 0 389.421 5.516 50 30 GKEARN Cc1ccc([C@H]2c3c(C)nn(-c4cccc(Cl)c4)c3NC3=C2C(=O)CCC3)o1 ZINC000004948554 570379472 /nfs/dbraw/zinc/37/94/72/570379472.db2.gz MQTRBUFBLCVKKZ-NRFANRHFSA-N 0 0 393.874 5.300 50 30 GKEARN O=C1/C(=C\c2ccccc2O)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000004523838 570381670 /nfs/dbraw/zinc/38/16/70/570381670.db2.gz XYGHTVRORXBATD-NVZLDUMVSA-N 0 0 386.476 5.196 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000004525785 570382075 /nfs/dbraw/zinc/38/20/75/570382075.db2.gz BGGLJVFXLGXRQN-PKNBQFBNSA-N 0 0 398.212 5.513 50 30 aggregator GKEARN C=CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl)c1ccccc1 ZINC000004961604 570382964 /nfs/dbraw/zinc/38/29/64/570382964.db2.gz JYBASQRSAIMQIF-UHFFFAOYSA-N 0 0 392.911 6.244 50 30 GKEARN N#C[C@H](c1cccc2ccccc21)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000004546452 570383336 /nfs/dbraw/zinc/38/33/36/570383336.db2.gz OVKHUJADPIAQQQ-IZZNHLLZSA-N 0 0 375.471 6.504 50 30 GKEARN Clc1cccc(COc2ccccc2C=NN=c2[nH]c3ccccc3s2)c1 ZINC000004545165 570383489 /nfs/dbraw/zinc/38/34/89/570383489.db2.gz JNHJOLSJFDBEFI-YDZHTSKRSA-N 0 0 393.899 5.975 50 30 GKEARN CC[C@@H](C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004614300 570387662 /nfs/dbraw/zinc/38/76/62/570387662.db2.gz RDXMIVZZCZAIAY-VOIUYBSRSA-N 0 0 390.527 6.086 50 30 GKEARN CCCCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004614134 570387667 /nfs/dbraw/zinc/38/76/67/570387667.db2.gz ZURYUISJMNACHP-XMMPIXPASA-N 0 0 390.527 6.087 50 30 GKEARN CCCCCCCCNC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000135746857 570388229 /nfs/dbraw/zinc/38/82/29/570388229.db2.gz SJIQXUJJJGIYPE-UHFFFAOYSA-N 0 0 387.574 5.697 50 30 GKEARN CC(C)c1ccc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 ZINC000004628437 570388758 /nfs/dbraw/zinc/38/87/58/570388758.db2.gz PFCOYQMSNQEBGY-SFGOVANPSA-N 0 0 395.572 5.572 50 30 GKEARN O=C1/C(=C\c2cccc(F)c2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000004649267 570389441 /nfs/dbraw/zinc/38/94/41/570389441.db2.gz WTIWVDGXRANPFB-WJGQKVTCSA-N 0 0 380.488 5.762 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc3ccccc31)Nc1ccccc1-2 ZINC000002874275 570391078 /nfs/dbraw/zinc/39/10/78/570391078.db2.gz NCVIJHFNXDIJNV-NRFANRHFSA-N 0 0 398.491 5.473 50 30 GKEARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1C#Cc1ccccc1 ZINC000002900859 570391080 /nfs/dbraw/zinc/39/10/80/570391080.db2.gz KVUZSNPPNWUYSB-UHFFFAOYSA-N 0 0 377.443 5.257 50 30 GKEARN Cc1cccc(C(=N)NOC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000004675803 570392632 /nfs/dbraw/zinc/39/26/32/570392632.db2.gz SBYRWVNUDAYZTF-UHFFFAOYSA-N 0 0 375.453 5.055 50 30 GKEARN CC1(C)CC(=O)C2=C(O1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)cc1 ZINC000004706631 570396169 /nfs/dbraw/zinc/39/61/69/570396169.db2.gz GRFIVDAFCHAHRZ-QFIPXVFZSA-N 0 0 389.882 6.139 50 30 GKEARN CCOc1ccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000004706907 570396332 /nfs/dbraw/zinc/39/63/32/570396332.db2.gz GZQVQUPLDXQSTN-FPLPWBNLSA-N 0 0 381.215 5.109 50 30 GKEARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032908452 570396566 /nfs/dbraw/zinc/39/65/66/570396566.db2.gz MFQGHKWNNMMONW-ACCUITESSA-N 0 0 392.380 5.152 50 30 GKEARN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 ZINC000004713909 570397225 /nfs/dbraw/zinc/39/72/25/570397225.db2.gz MKJRXMUFBVZDJK-CIAFOILYSA-N 0 0 398.260 5.515 50 30 GKEARN Clc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000004718776 570397576 /nfs/dbraw/zinc/39/75/76/570397576.db2.gz VRRCEKAQHUXFIY-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3cccc(C#N)c3)sc21 ZINC000005025945 570399638 /nfs/dbraw/zinc/39/96/38/570399638.db2.gz DLJWXEUPYYGMDC-UHFFFAOYSA-N 0 0 392.871 5.079 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000004737497 570399760 /nfs/dbraw/zinc/39/97/60/570399760.db2.gz MLIAGQPVEVYXHG-YBFXNURJSA-N 0 0 386.205 5.063 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000004741584 570400880 /nfs/dbraw/zinc/40/08/80/570400880.db2.gz FUIDCKQORIUWKU-WAIKUNEKSA-N 0 0 397.503 5.514 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccccc1 ZINC000006392897 570403854 /nfs/dbraw/zinc/40/38/54/570403854.db2.gz PJCMLFVASKMHNK-UHFFFAOYSA-N 0 0 388.389 6.070 50 30 GKEARN Cc1cc(C(F)F)nc(SCc2cn3cc(Cl)cc(Cl)c3n2)c1C#N ZINC000006400103 570404776 /nfs/dbraw/zinc/40/47/76/570404776.db2.gz QAURNOUADOUREG-UHFFFAOYSA-N 0 0 399.253 5.446 50 30 GKEARN Cc1ccc(Cl)c2c1S/C(=C1/Sc3c(c(Cl)ccc3C)C1=O)C2=O ZINC000004787848 570405696 /nfs/dbraw/zinc/40/56/96/570405696.db2.gz ARWYYCYKOXYUSU-ISLYRVAYSA-N 0 0 393.316 6.099 50 30 GKEARN O=[N+]([O-])c1cccc(C=NNC(=Nc2ccccc2)c2ccc3ccccc3n2)c1 ZINC000004844540 570411236 /nfs/dbraw/zinc/41/12/36/570411236.db2.gz LIOITWOVXAFXRD-LFVJCYFKSA-N 0 0 395.422 5.036 50 30 GKEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000004845988 570412029 /nfs/dbraw/zinc/41/20/29/570412029.db2.gz FRNHKJCFMZOCFF-CXUHLZMHSA-N 0 0 387.504 5.486 50 30 aggregator GKEARN O=C1C[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004915990 570418121 /nfs/dbraw/zinc/41/81/21/570418121.db2.gz CJLXPQWQMWMYTE-GWCFXTLKSA-N 0 0 392.307 5.059 50 30 GKEARN Clc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1Cl ZINC000004949093 570419488 /nfs/dbraw/zinc/41/94/88/570419488.db2.gz GLZIMKNQVNSOQE-GZIVZEMBSA-N 0 0 377.300 5.323 50 30 GKEARN CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004973581 570420675 /nfs/dbraw/zinc/42/06/75/570420675.db2.gz YZUCEXWLNOYQOY-QHCPKHFHSA-N 0 0 376.500 5.696 50 30 GKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)c1 ZINC000004973554 570420725 /nfs/dbraw/zinc/42/07/25/570420725.db2.gz MFAWMWGIMDIRIC-CJAUYULYSA-N 0 0 397.478 5.070 50 30 GKEARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(C#N)cc3)oc21 ZINC000005125662 570421360 /nfs/dbraw/zinc/42/13/60/570421360.db2.gz OEJOOZPMOCEFND-LCUIJRPUSA-N 0 0 392.418 5.089 50 30 GKEARN Cc1ccc(N2C(=S)N=C(Nc3ccccc3C)[C@]2(C)Cc2ccccc2)cc1 ZINC000005127367 570422040 /nfs/dbraw/zinc/42/20/40/570422040.db2.gz IWRXEEJDEGBYJA-VWLOTQADSA-N 0 0 399.563 5.730 50 30 GKEARN Oc1ccc2cc(Br)ccc2c1C=NNc1cccc2cccnc21 ZINC000004991075 570422166 /nfs/dbraw/zinc/42/21/66/570422166.db2.gz QOSLDOWRHNAHNE-FSJBWODESA-N 0 0 392.256 5.302 50 30 GKEARN Cc1ccc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000005128821 570422289 /nfs/dbraw/zinc/42/22/89/570422289.db2.gz XHXIXLZSDSAVHG-UHFFFAOYSA-N 0 0 398.915 5.204 50 30 GKEARN CCCCCCCOc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000001772080 570422861 /nfs/dbraw/zinc/42/28/61/570422861.db2.gz QYHDYFHDWSAPHX-UHFFFAOYSA-N 0 0 382.456 5.943 50 30 biogenic GKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccccc3O)n2)cc1 ZINC000005003354 570423218 /nfs/dbraw/zinc/42/32/18/570423218.db2.gz IRWVFOKKGSQBOH-MTDXEUNCSA-N 0 0 394.478 5.661 50 30 GKEARN Oc1ccc(Cl)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000005034745 570425269 /nfs/dbraw/zinc/42/52/69/570425269.db2.gz GDSHUSAFCQQYRY-QFSHWATDSA-N 0 0 386.654 5.067 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000005061023 570427616 /nfs/dbraw/zinc/42/76/16/570427616.db2.gz VLPUWVYFRHTYLM-PKNBQFBNSA-N 0 0 398.212 5.513 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000005100386 570429194 /nfs/dbraw/zinc/42/91/94/570429194.db2.gz SGEKVWNPAIPLCN-QFIPXVFZSA-N 0 0 394.902 5.503 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(F)cc1F ZINC000005129484 570430078 /nfs/dbraw/zinc/43/00/78/570430078.db2.gz XPANWPVQGUZCHQ-XMMPIXPASA-N 0 0 389.445 6.428 50 30 GKEARN Clc1ccc2nc(N=NCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000005125767 570430089 /nfs/dbraw/zinc/43/00/89/570430089.db2.gz HZNGFUYZSXFEDD-ZMOGYAJESA-N 0 0 398.857 5.273 50 30 GKEARN CN(C)c1ccc([C@@H]2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005190645 570430949 /nfs/dbraw/zinc/43/09/49/570430949.db2.gz YYNQEFYTWDKZSK-QFIPXVFZSA-N 0 0 395.934 5.628 50 30 GKEARN CCC/C(=N\OCC)C1=C(N2CCCC2)C[C@H](C[C@@H](C)SCC)CC1=O ZINC000005243643 570432297 /nfs/dbraw/zinc/43/22/97/570432297.db2.gz WKXDDPNDHKTISM-HOJZTQIQSA-N 0 0 380.598 5.040 50 30 GKEARN CCCCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000001816097 570436062 /nfs/dbraw/zinc/43/60/62/570436062.db2.gz ZELOQKDGCNYPGU-HYBUGGRVSA-N 0 0 378.560 6.716 50 30 GKEARN Cc1ccc(C(C)C)c(O/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c1 ZINC000005379975 570436642 /nfs/dbraw/zinc/43/66/42/570436642.db2.gz RZBULRRXZAHZGH-WCWDXBQESA-N 0 0 393.508 5.333 50 30 GKEARN CCc1nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c2c1CCCC2 ZINC000001894917 570438862 /nfs/dbraw/zinc/43/88/62/570438862.db2.gz GTWHXTAGZDRLKR-UHFFFAOYSA-N 0 0 377.340 5.994 50 30 GKEARN CCOc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC)cc1OC ZINC000006464254 570441957 /nfs/dbraw/zinc/44/19/57/570441957.db2.gz AIMFYWSLRHSUHS-SOFGYWHQSA-N 0 0 381.255 5.305 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccc4O)c3c2C1 ZINC000005501531 570443046 /nfs/dbraw/zinc/44/30/46/570443046.db2.gz BAQCYDWMHVDNNU-FCUAXUHVSA-N 0 0 394.544 5.384 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccc4)c3c2C1 ZINC000005501527 570443092 /nfs/dbraw/zinc/44/30/92/570443092.db2.gz DEBSZJRNTSKIAQ-WJNWYLSZSA-N 0 0 378.545 5.678 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005596001 570448346 /nfs/dbraw/zinc/44/83/46/570448346.db2.gz DDCCYGYPRUDTEH-HXUWFJFHSA-N 0 0 389.838 5.123 50 30 GKEARN CCc1cc(Oc2ccc(C(C)C)cc2)nc(SCc2ccccc2C#N)n1 ZINC000035793677 570449652 /nfs/dbraw/zinc/44/96/52/570449652.db2.gz XQUWVQBVTLOKQQ-UHFFFAOYSA-N 0 0 389.524 6.119 50 30 GKEARN Cc1cc2nc(-c3ccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000001946529 570451188 /nfs/dbraw/zinc/45/11/88/570451188.db2.gz APRRLBDPCAPHCA-MLZQUUFASA-N 0 0 397.434 6.436 50 30 GKEARN Clc1ccc(-c2cnc(/N=C/c3ccc(Br)cc3)s2)cc1 ZINC000001958716 570451367 /nfs/dbraw/zinc/45/13/67/570451367.db2.gz RHFPAQPUBVMOFB-DJKKODMXSA-N 0 0 377.694 5.977 50 30 GKEARN C(=N/c1cccc(-c2nc3ccccc3[nH]2)c1)\c1c2ccccc2cc2ccccc21 ZINC000001958237 570451611 /nfs/dbraw/zinc/45/16/11/570451611.db2.gz TXEYQOWCFLGIGH-RDRPBHBLSA-N 0 0 397.481 7.287 50 30 GKEARN Cc1cccc(NC(=O)C2=CC(=O)C[C@@H](c3ccc(Cl)cc3Cl)O2)c1C ZINC000005711205 570452188 /nfs/dbraw/zinc/45/21/88/570452188.db2.gz KJPHOXPHFAFMAH-SFHVURJKSA-N 0 0 390.266 5.163 50 30 GKEARN Fc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)c(Cl)c1 ZINC000003113939 570456217 /nfs/dbraw/zinc/45/62/17/570456217.db2.gz DLALPZMMXUDWFF-BHGWPJFGSA-N 0 0 385.225 6.691 50 30 GKEARN C(=Nc1cccc(-c2c[nH]cn2)c1)c1nc2ccccc2n1Cc1ccccc1 ZINC000005785546 570456457 /nfs/dbraw/zinc/45/64/57/570456457.db2.gz CHAMKJBQSXXVJF-CVKSISIWSA-N 0 0 377.451 5.225 50 30 GKEARN C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000225522809 570456687 /nfs/dbraw/zinc/45/66/87/570456687.db2.gz WFOMKHRCQZVKCE-UHFFFAOYSA-N 0 0 386.499 5.107 50 30 GKEARN Cc1[nH]c2ccccc2c1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000006527022 570465843 /nfs/dbraw/zinc/46/58/43/570465843.db2.gz PCNJBWXDUPMSPF-FSJBWODESA-N 0 0 393.899 6.194 50 30 GKEARN Cc1cc(C(=O)/C=C\c2ccc(COc3cc(Cl)ccc3Cl)o2)n(C)n1 ZINC000006527844 570466368 /nfs/dbraw/zinc/46/63/68/570466368.db2.gz NPXKKGHKUAUFCW-VURMDHGXSA-N 0 0 391.254 5.103 50 30 GKEARN N#C[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000006530163 570467130 /nfs/dbraw/zinc/46/71/30/570467130.db2.gz HCYFSMAEWOXBOE-PKTZIBPZSA-N 0 0 382.423 5.011 50 30 GKEARN Cn1c(SCc2ccccc2C(C)(C)C#N)nnc1-c1ccccc1Cl ZINC000134987151 570470187 /nfs/dbraw/zinc/47/01/87/570470187.db2.gz RGFVZIFOQFCLTA-UHFFFAOYSA-N 0 0 382.920 5.229 50 30 GKEARN CCOC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1 ZINC000006544786 570473927 /nfs/dbraw/zinc/47/39/27/570473927.db2.gz ZNTIDRRXNPLPOL-XMHGGMMESA-N 0 0 380.827 5.429 50 30 GKEARN COc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c2c1 ZINC000006552698 570475385 /nfs/dbraw/zinc/47/53/85/570475385.db2.gz HHSAYLDLNABZOV-UHFFFAOYSA-N 0 0 380.469 5.204 50 30 GKEARN Oc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(O)c1 ZINC000003115360 570485928 /nfs/dbraw/zinc/48/59/28/570485928.db2.gz YCNPALUXBIGOJC-AUEPDCJTSA-N 0 0 399.233 5.963 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2ccccc2s1 ZINC000006589663 570487105 /nfs/dbraw/zinc/48/71/05/570487105.db2.gz ZJNWUOAFYQCDFS-UHFFFAOYSA-N 0 0 387.489 5.571 50 30 GKEARN C=CCN(C(=O)c1sccc1-c1ccccc1)c1nc2c(s1)CCCC2 ZINC000006589733 570487559 /nfs/dbraw/zinc/48/75/59/570487559.db2.gz QQEZGYVSSYFPJO-UHFFFAOYSA-N 0 0 380.538 5.583 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000006592790 570488784 /nfs/dbraw/zinc/48/87/84/570488784.db2.gz MZEUQPDYXQTRDH-DJJQPEHWSA-N 0 0 397.519 5.158 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(CC#N)C12CCC(C(C)(C)C)CC2 ZINC000006755913 570492069 /nfs/dbraw/zinc/49/20/69/570492069.db2.gz AGXAWLZJNOOBIS-UHFFFAOYSA-N 0 0 382.577 5.022 50 30 GKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006813175 570495066 /nfs/dbraw/zinc/49/50/66/570495066.db2.gz RAISSUUIJUCFNM-JOCHJYFZSA-N 0 0 383.447 5.086 50 30 GKEARN CC(=O)Nc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000005180383 570495129 /nfs/dbraw/zinc/49/51/29/570495129.db2.gz XHCGNCUHHREBBO-XMMPIXPASA-N 0 0 398.487 5.512 50 30 GKEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 ZINC000005180416 570495568 /nfs/dbraw/zinc/49/55/68/570495568.db2.gz JYWCKUXARKRLIK-UUYOSTAYSA-N 0 0 394.829 5.983 50 30 GKEARN CC(=O)Nc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000005180384 570495582 /nfs/dbraw/zinc/49/55/82/570495582.db2.gz XHCGNCUHHREBBO-DEOSSOPVSA-N 0 0 398.487 5.512 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(F)c1F ZINC000006604482 570495672 /nfs/dbraw/zinc/49/56/72/570495672.db2.gz CXHLLNDMSQSHGH-UHFFFAOYSA-N 0 0 384.382 5.379 50 30 GKEARN C/C(=N\Oc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccccc1 ZINC000005184385 570497459 /nfs/dbraw/zinc/49/74/59/570497459.db2.gz OLIAGNRPXQPALX-YPXUMCKCSA-N 0 0 399.294 5.470 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1cccc3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000006897604 570498541 /nfs/dbraw/zinc/49/85/41/570498541.db2.gz GGYOUEFSTAZEFW-AREMUKBSSA-N 0 0 396.534 6.679 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000005193707 570499740 /nfs/dbraw/zinc/49/97/40/570499740.db2.gz PREQHFHIXCWRLR-ZRDIBKRKSA-N 0 0 383.241 5.614 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000002062460 570501491 /nfs/dbraw/zinc/50/14/91/570501491.db2.gz HOSWKUYLMWEWBZ-BKUYFWCQSA-N 0 0 378.880 6.249 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000003095300 570503196 /nfs/dbraw/zinc/50/31/96/570503196.db2.gz ZUSSLKKODVLJLY-BRJLIKDPSA-N 0 0 391.776 6.607 50 30 GKEARN O=C1[C@H](Cc2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002671069 570503374 /nfs/dbraw/zinc/50/33/74/570503374.db2.gz SDXCFJFOGRYORC-HNWIBAKRSA-N 0 0 392.911 5.719 50 30 GKEARN CC(C)(C)c1cc(Br)cc(/C=N/c2cccc3ccccc32)c1O ZINC000003106005 570503924 /nfs/dbraw/zinc/50/39/24/570503924.db2.gz KBKDYWBLCDGKDT-YDZHTSKRSA-N 0 0 382.301 6.356 50 30 GKEARN Clc1ccc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000003102917 570504209 /nfs/dbraw/zinc/50/42/09/570504209.db2.gz LJEOGPBKUWXPJY-CVKSISIWSA-N 0 0 382.850 7.052 50 30 GKEARN CCCCCCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000002733676 570512090 /nfs/dbraw/zinc/51/20/90/570512090.db2.gz QZWMSRHDBGJNBC-UHFFFAOYSA-N 0 0 378.516 6.365 50 30 GKEARN N#Cc1ccc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)c(F)c1 ZINC000064677070 570517433 /nfs/dbraw/zinc/51/74/33/570517433.db2.gz NVOULAMRASYENS-UHFFFAOYSA-N 0 0 388.427 5.415 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000002896622 570521321 /nfs/dbraw/zinc/52/13/21/570521321.db2.gz SVJOMSVKDAPOMH-DWOGBDTMSA-N 0 0 386.882 7.181 50 30 GKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCCC2)cc1 ZINC000005249085 570525192 /nfs/dbraw/zinc/52/51/92/570525192.db2.gz OLLPIBNAIXYPDO-UHFFFAOYSA-N 0 0 380.495 5.167 50 30 GKEARN Cc1sc(NC(=O)c2ccc(C#N)cc2)c(-c2nc3ccccc3s2)c1C ZINC000005255659 570530466 /nfs/dbraw/zinc/53/04/66/570530466.db2.gz GFTFCXWAVBROIK-UHFFFAOYSA-N 0 0 389.505 5.766 50 30 GKEARN CCCCCCCCCCc1ccc(-c2ccc(O[C@@H](C)C(N)=O)cc2)cc1 ZINC000008383542 570530602 /nfs/dbraw/zinc/53/06/02/570530602.db2.gz DJJJNXSJBCHMRZ-FQEVSTJZSA-N 0 0 381.560 6.289 50 30 GKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)O[C@H](C)CCC)cc2)cc1 ZINC000008383600 570530679 /nfs/dbraw/zinc/53/06/79/570530679.db2.gz ZEIHIVGTDQDRRP-OAQYLSRUSA-N 0 0 396.571 7.438 50 30 GKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000008432221 570531537 /nfs/dbraw/zinc/53/15/37/570531537.db2.gz VODOEGWCJQEPRF-KRWDZBQOSA-N 0 0 388.621 6.850 50 30 GKEARN Cc1ccc(/N=C(/Cl)C(Cl)(Cl)/C(Cl)=N/c2ccc(C)cc2)cc1 ZINC000008432934 570531669 /nfs/dbraw/zinc/53/16/69/570531669.db2.gz LIEBWXQSUKXKAG-XRBXDRSNSA-N 0 0 388.125 6.715 50 30 GKEARN CCCCCCCSC[C@H](Cc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000008442130 570531936 /nfs/dbraw/zinc/53/19/36/570531936.db2.gz XSCGRABXAGFDCZ-SFHVURJKSA-N 0 0 385.404 6.677 50 30 GKEARN CCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cc2ccccc21 ZINC000008451284 570531997 /nfs/dbraw/zinc/53/19/97/570531997.db2.gz VOTKZOYATSERIT-UHFFFAOYSA-N 0 0 375.516 6.376 50 30 GKEARN CCCCSc1nc(-c2ccc(OCC)cc2)cc(C(F)(F)F)c1C#N ZINC000006708823 570545922 /nfs/dbraw/zinc/54/59/22/570545922.db2.gz REZWRXZWBAFUJN-UHFFFAOYSA-N 0 0 380.435 5.930 50 30 GKEARN COc1ccc(C(=O)CSc2nc3c(c(CC(C)C)c2C#N)CCCC3)cc1 ZINC000000841868 570546237 /nfs/dbraw/zinc/54/62/37/570546237.db2.gz USCXXYDQEPBHLK-UHFFFAOYSA-N 0 0 394.540 5.014 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000009013463 570546954 /nfs/dbraw/zinc/54/69/54/570546954.db2.gz CRMNGQHIUWXOQU-HXUWFJFHSA-N 0 0 397.902 5.499 50 30 GKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000002983454 570547609 /nfs/dbraw/zinc/54/76/09/570547609.db2.gz CLWCXAINDHQJHU-UHFFFAOYSA-N 0 0 381.353 5.237 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000009110995 570549385 /nfs/dbraw/zinc/54/93/85/570549385.db2.gz UMQGFPPYVJZZGJ-OAQYLSRUSA-N 0 0 377.484 5.154 50 30 GKEARN CCCCC1CCC(C(=O)O/C(=N/C2CCCCC2)NC2CCCCC2)CC1 ZINC000005297314 570549303 /nfs/dbraw/zinc/54/93/03/570549303.db2.gz GHYJFCPPENWQMR-UHFFFAOYSA-N 0 0 390.612 6.137 50 30 GKEARN CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733086 570557320 /nfs/dbraw/zinc/55/73/20/570557320.db2.gz FOCPHKRPQOJWMF-NRFANRHFSA-N 0 0 397.522 5.840 50 30 GKEARN Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccc(O)c(Br)c1)O2 ZINC000299738334 570572124 /nfs/dbraw/zinc/57/21/24/570572124.db2.gz WVIQUAUORBVJHZ-AUWJEWJLSA-N 0 0 379.637 5.041 50 30 GKEARN Cc1cccc(-c2csc(C(=O)Nc3cccc(C#N)c3)c2-n2cccc2)c1 ZINC000064872254 570575704 /nfs/dbraw/zinc/57/57/04/570575704.db2.gz CRSRSURAHMXNGN-UHFFFAOYSA-N 0 0 383.476 5.638 50 30 GKEARN C=CCN(C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000032994607 570576125 /nfs/dbraw/zinc/57/61/25/570576125.db2.gz SHAVLUKTTTZGSN-UHFFFAOYSA-N 0 0 398.871 5.025 50 30 GKEARN CC(C)Oc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCCC2)cc1 ZINC000006768518 570578713 /nfs/dbraw/zinc/57/87/13/570578713.db2.gz SIMLYPUSLYHJNZ-UHFFFAOYSA-N 0 0 391.519 5.513 50 30 GKEARN Cc1cc(C)c(C#N)c(SC[C@@]2(O)CCCC[C@H]2SCc2ccccc2)n1 ZINC000005394264 570584912 /nfs/dbraw/zinc/58/49/12/570584912.db2.gz UBMTXCPNVOHFHJ-IRLDBZIGSA-N 0 0 398.597 5.269 50 30 GKEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000005406941 570587573 /nfs/dbraw/zinc/58/75/73/570587573.db2.gz BDNHKOIJQCTTKP-BVZFJXPGSA-N 0 0 396.490 5.186 50 30 GKEARN C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)cc1 ZINC000036253947 570588143 /nfs/dbraw/zinc/58/81/43/570588143.db2.gz LMRXOUAVWALNLI-HNNXBMFYSA-N 0 0 376.456 5.340 50 30 GKEARN O=C(N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002147305 570589018 /nfs/dbraw/zinc/58/90/18/570589018.db2.gz NOXDIPWNQOTUAB-AWEZNQCLSA-N 0 0 395.138 6.133 50 30 in-vivo GKEARN CCCCCCCCN1CCN(CCCCCCCC)C1c1ccc(O)cc1 ZINC000136489169 570601275 /nfs/dbraw/zinc/60/12/75/570601275.db2.gz UGSQCXBBUKGHAL-UHFFFAOYSA-N 0 0 388.640 6.729 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Cl)cc1 ZINC000003278493 570601284 /nfs/dbraw/zinc/60/12/84/570601284.db2.gz CAVPWNSVTNSRMV-UHFFFAOYSA-N 0 0 378.884 5.293 50 30 GKEARN C(=NNc1nc2ccccc2[nH]1)c1cccc(OCc2cccc3ccccc32)c1 ZINC000005457109 570602069 /nfs/dbraw/zinc/60/20/69/570602069.db2.gz PHSUHPXAGYAPCI-WGOQTCKBSA-N 0 0 392.462 5.741 50 30 GKEARN Cc1ccsc1/C=C1/CC(c2ccccc2)C/C(=C/c2sccc2C)C1=O ZINC000003299532 570603802 /nfs/dbraw/zinc/60/38/02/570603802.db2.gz PYDMONRVAWKWEV-SIBCGJTDSA-N 0 0 390.573 7.040 50 30 GKEARN O=C1/C(=N\OCc2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 ZINC000005483752 570611930 /nfs/dbraw/zinc/61/19/30/570611930.db2.gz ATYBRMWLHOMDFB-GFMRDNFCSA-N 0 0 397.261 5.593 50 30 GKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)o1 ZINC000032999865 570617402 /nfs/dbraw/zinc/61/74/02/570617402.db2.gz HLCDGOXCGCCIDY-QGZVFWFLSA-N 0 0 399.450 5.867 50 30 GKEARN CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000005509605 570618625 /nfs/dbraw/zinc/61/86/25/570618625.db2.gz VSNKDZHXWVDBHX-UHFFFAOYSA-N 0 0 397.301 5.243 50 30 GKEARN O=C(/C=C/n1cc(C(F)(F)F)cc(Cl)c1=S)c1ccc(Cl)cc1 ZINC000005513237 570621039 /nfs/dbraw/zinc/62/10/39/570621039.db2.gz FKVHBJDCRRACKU-AATRIKPKSA-N 0 0 378.202 5.897 50 30 GKEARN FC(F)(F)c1nc2ccccc2nc1N=NCc1c(Cl)cccc1Cl ZINC000005519414 570622683 /nfs/dbraw/zinc/62/26/83/570622683.db2.gz MMWRPDZNOPFAAH-GZIVZEMBSA-N 0 0 385.176 5.401 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000225848037 570626129 /nfs/dbraw/zinc/62/61/29/570626129.db2.gz UVURBEPZXDBOTM-UTKZUKDTSA-N 0 0 386.850 5.107 50 30 GKEARN CCOc1ccccc1O[C@@H]1CCCC[C@H]1N(CCC#N)Cc1ccccc1 ZINC000044125527 570632007 /nfs/dbraw/zinc/63/20/07/570632007.db2.gz RRUIMUSBHYCRSA-FGZHOGPDSA-N 0 0 378.516 5.191 50 30 GKEARN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1cccc2ccccc12 ZINC000005551561 570632660 /nfs/dbraw/zinc/63/26/60/570632660.db2.gz NQCUQYSINPYJJU-PXLXIMEGSA-N 0 0 380.472 5.885 50 30 GKEARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2cccc(C#N)c2)n1 ZINC000036349811 570632702 /nfs/dbraw/zinc/63/27/02/570632702.db2.gz ITSSCQFXUVVSHX-UHFFFAOYSA-N 0 0 391.496 5.565 50 30 GKEARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)c1 ZINC000036349816 570633363 /nfs/dbraw/zinc/63/33/63/570633363.db2.gz BNSUMFOXXSPCJJ-UHFFFAOYSA-N 0 0 375.497 5.865 50 30 GKEARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)c1C ZINC000036349819 570633480 /nfs/dbraw/zinc/63/34/80/570633480.db2.gz TXWPNRQDZMTCKY-UHFFFAOYSA-N 0 0 389.524 6.173 50 30 GKEARN CCOc1ccc(-c2csc(C(C#N)=NNc3cccc(Cl)c3)n2)cc1 ZINC000044827488 570634103 /nfs/dbraw/zinc/63/41/03/570634103.db2.gz WGXFMVGCYRAWHI-JJIBRWJFSA-N 0 0 382.876 5.202 50 30 GKEARN C/C(=N/N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(O)cc1 ZINC000012342840 570645294 /nfs/dbraw/zinc/64/52/94/570645294.db2.gz HZJWTZHSEDEERZ-VEILYXNESA-N 0 0 394.478 5.377 50 30 GKEARN COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1 ZINC000000843750 570647309 /nfs/dbraw/zinc/64/73/09/570647309.db2.gz HSQIZMYZKZMLNW-RUZDIDTESA-N 0 0 383.491 6.158 50 30 GKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N3CCOCC3)n2)cc1 ZINC000024980463 570647767 /nfs/dbraw/zinc/64/77/67/570647767.db2.gz MGHYRAFVJIZNGH-UHFFFAOYSA-N 0 0 389.886 5.086 50 30 GKEARN c1sc2ncnc(N=NCc3ccnc4ccccc34)c2c1-c1ccccc1 ZINC000005561942 570648706 /nfs/dbraw/zinc/64/87/06/570648706.db2.gz DZJVSKQMAQAKJV-RPPGKUMJSA-N 0 0 381.464 5.353 50 30 GKEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 ZINC000012406424 570654039 /nfs/dbraw/zinc/65/40/39/570654039.db2.gz FMWHASSLWZGTDN-UVWSQDQSSA-N 0 0 376.500 5.572 50 30 GKEARN O=C(/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005072287 570658905 /nfs/dbraw/zinc/65/89/05/570658905.db2.gz ILHIYIPSBPPYLF-ATVHPVEESA-N 0 0 393.273 6.293 50 30 GKEARN C=C(C)CSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000005576330 570659393 /nfs/dbraw/zinc/65/93/93/570659393.db2.gz JZRBNSFBUMZJRU-UHFFFAOYSA-N 0 0 385.964 6.324 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC[C@@H](C)C4)o3)o2)cc1C ZINC000033027150 570662938 /nfs/dbraw/zinc/66/29/38/570662938.db2.gz OVMBMNYEYLMRES-OAHLLOKOSA-N 0 0 391.471 5.238 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC[C@H](C)C4)o3)o2)cc1C ZINC000033027153 570662982 /nfs/dbraw/zinc/66/29/82/570662982.db2.gz OVMBMNYEYLMRES-HNNXBMFYSA-N 0 0 391.471 5.238 50 30 GKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCC1 ZINC000033027092 570662985 /nfs/dbraw/zinc/66/29/85/570662985.db2.gz APULFAUKWBSVCI-UHFFFAOYSA-N 0 0 385.423 5.139 50 30 GKEARN Cc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000003117097 570664035 /nfs/dbraw/zinc/66/40/35/570664035.db2.gz SWNIVYSMVNTZQH-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000003117085 570664076 /nfs/dbraw/zinc/66/40/76/570664076.db2.gz RONMRMMDAIZBTE-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@H](C)C4)o3)o2)c1 ZINC000012418989 570671179 /nfs/dbraw/zinc/67/11/79/570671179.db2.gz VRXMTDGHWUMJFA-CALCHBBNSA-N 0 0 391.471 5.176 50 30 GKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@@H](C)C4)o3)o2)c1 ZINC000012418983 570671228 /nfs/dbraw/zinc/67/12/28/570671228.db2.gz VRXMTDGHWUMJFA-IAGOWNOFSA-N 0 0 391.471 5.176 50 30 GKEARN CN1C=C/C(=C\C2=CC(=C3C(=O)c4ccccc4C3=O)CCC2)c2ccccc21 ZINC000685944569 570675913 /nfs/dbraw/zinc/67/59/13/570675913.db2.gz NAJGPEAOWUKNPT-OBGWFSINSA-N 0 0 379.459 5.520 50 30 GKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000868871 570678422 /nfs/dbraw/zinc/67/84/22/570678422.db2.gz IJECQMWOPSFMFV-OAQYLSRUSA-N 0 0 393.527 5.899 50 30 GKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2cccc(O)c2)C12CCCCC2 ZINC000005794879 570691135 /nfs/dbraw/zinc/69/11/35/570691135.db2.gz OMIGZCVGTMUFKK-UHFFFAOYSA-N 0 0 393.556 5.391 50 30 GKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 ZINC000012652231 570695571 /nfs/dbraw/zinc/69/55/71/570695571.db2.gz ZFMNNFWNWPSLHG-DEOSSOPVSA-N 0 0 398.462 5.409 50 30 GKEARN COc1ccccc1-c1nnc(SCc2ccccc2C#N)n1-c1ccccc1 ZINC000004357205 570696895 /nfs/dbraw/zinc/69/68/95/570696895.db2.gz HDKOFRPJNKNPRX-UHFFFAOYSA-N 0 0 398.491 5.107 50 30 GKEARN O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000006926816 570708290 /nfs/dbraw/zinc/70/82/90/570708290.db2.gz WBVAFJWQCSLFAV-SDNWHVSQSA-N 0 0 397.257 6.109 50 30 GKEARN Cc1cccc(-n2c(SCc3ccccc3C#N)nnc2C2CCCCC2)c1 ZINC000004365600 570711549 /nfs/dbraw/zinc/71/15/49/570711549.db2.gz BDLACQVUPLYBMI-UHFFFAOYSA-N 0 0 388.540 5.787 50 30 GKEARN CC(=O)Nc1cccc(C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)c1 ZINC000058163700 570713450 /nfs/dbraw/zinc/71/34/50/570713450.db2.gz XSRCKMRXJCADMW-AATRIKPKSA-N 0 0 388.250 5.167 50 30 GKEARN O=C1c2cc(F)ccc2SC/C1=C/c1ccccc1OCc1cccnc1 ZINC000058167333 570714413 /nfs/dbraw/zinc/71/44/13/570714413.db2.gz DCJGQYKOSDVOCB-YVLHZVERSA-N 0 0 377.440 5.172 50 30 GKEARN Cc1nc(C(F)(F)F)nc(Nc2ccc(/N=N/c3ccccc3)cc2)c1C#N ZINC000017969147 570722007 /nfs/dbraw/zinc/72/20/07/570722007.db2.gz ZFWOFJGXNGIOKS-BYYHNAKLSA-N 0 0 382.349 5.835 50 30 GKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000025076226 570723322 /nfs/dbraw/zinc/72/33/22/570723322.db2.gz IJECQMWOPSFMFV-NRFANRHFSA-N 0 0 393.527 5.899 50 30 GKEARN CCCSC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000012858553 570724633 /nfs/dbraw/zinc/72/46/33/570724633.db2.gz NZVASSZNVPLADZ-JCMHNJIXSA-N 0 0 398.746 6.650 50 30 GKEARN O=C(/C=C/c1sccc1Br)c1sccc1Br ZINC000004419602 570728373 /nfs/dbraw/zinc/72/83/73/570728373.db2.gz GCYGNMQIGHBWSZ-OWOJBTEDSA-N 0 0 378.110 5.231 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000012969999 570732428 /nfs/dbraw/zinc/73/24/28/570732428.db2.gz WYAUNHBHXOHMIT-NLRVBDNBSA-N 0 0 382.511 5.681 50 30 GKEARN O=C1c2cc(C#Cc3ccccc3)ccc2-c2ccc(C#Cc3ccccc3)cc21 ZINC000003152340 570738869 /nfs/dbraw/zinc/73/88/69/570738869.db2.gz PYGALTDAXAQRCP-UHFFFAOYSA-N 0 0 380.446 5.698 50 30 GKEARN N#C[C@@]1(C(F)(F)F)CSC2(C3CC4CC(C3)CC2C4)[C@@]1(C#N)C(F)(F)F ZINC000000970142 570740569 /nfs/dbraw/zinc/74/05/69/570740569.db2.gz NNDIWINPKPGCCY-QMSHFQNASA-N 0 0 394.384 5.073 50 30 GKEARN CCCCC#Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)o1 ZINC000003138336 570741022 /nfs/dbraw/zinc/74/10/22/570741022.db2.gz AJMUDOYBVMHAHG-UHFFFAOYSA-N 0 0 385.920 5.563 50 30 GKEARN C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000013018024 570741800 /nfs/dbraw/zinc/74/18/00/570741800.db2.gz DHQBILYMWDKISZ-LLVKDONJSA-N 0 0 381.332 5.761 50 30 GKEARN Cc1cc(-c2csc(N=NC(C)c3ccc(C(C)(C)C)cc3)n2)ccc1F ZINC000004410376 570742008 /nfs/dbraw/zinc/74/20/08/570742008.db2.gz KBILWCRVMUDWOO-MYYYXRDXSA-N 0 0 381.520 6.391 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000000996543 570742448 /nfs/dbraw/zinc/74/24/48/570742448.db2.gz LEEXKVKWHYDREO-AWEZNQCLSA-N 0 0 386.948 5.605 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCO4)sc2C1 ZINC000000995596 570742564 /nfs/dbraw/zinc/74/25/64/570742564.db2.gz YQMRFZLBBYLRLY-AWEZNQCLSA-N 0 0 396.512 5.142 50 30 GKEARN COc1ccc([C@@H](CC#N)[C@H](C#N)c2c(Cl)cccc2Cl)cc1OC ZINC000000984246 570743402 /nfs/dbraw/zinc/74/34/02/570743402.db2.gz VTYWIXUOOKUJDC-KGLIPLIRSA-N 0 0 375.255 5.315 50 30 GKEARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000025256435 570745078 /nfs/dbraw/zinc/74/50/78/570745078.db2.gz DYJJTIXIVAMPFM-UHFFFAOYSA-N 0 0 389.402 5.045 50 30 GKEARN CCCCC#Cc1ccc(-c2nnc(SCc3cc(F)cc(F)c3)n2C)o1 ZINC000003138339 570745888 /nfs/dbraw/zinc/74/58/88/570745888.db2.gz BTGPDPXDBMCNEW-UHFFFAOYSA-N 0 0 387.455 5.187 50 30 GKEARN C#CCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003135091 570755383 /nfs/dbraw/zinc/75/53/83/570755383.db2.gz GPELPOVTPCBCCE-UHFFFAOYSA-N 0 0 380.516 6.143 50 30 GKEARN Cc1ccc(N2C(=S)N=C(Nc3ccccc3C)[C@@]23CCOC(C)(C)C3)cc1 ZINC000013477762 570755733 /nfs/dbraw/zinc/75/57/33/570755733.db2.gz MYMSTEVQCASSCP-QHCPKHFHSA-N 0 0 393.556 5.056 50 30 GKEARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000001131023 570755999 /nfs/dbraw/zinc/75/59/99/570755999.db2.gz COKXDJBKCZFACY-SECBINFHSA-N 0 0 395.311 5.312 50 30 GKEARN Cc1ccc(-n2nc(C(=O)c3ccc(Cl)cc3)c(C#N)c2-c2ccccc2)cc1 ZINC000007037046 570757225 /nfs/dbraw/zinc/75/72/25/570757225.db2.gz VSOQHXNWEZMWHT-UHFFFAOYSA-N 0 0 397.865 5.604 50 30 GKEARN FC(F)(F)c1ccnc(-c2ccc(/C=N/OCc3ccc(Cl)cc3)cc2)c1 ZINC000022996427 570758744 /nfs/dbraw/zinc/75/87/44/570758744.db2.gz HJHSRTAJBSNLTI-RPPGKUMJSA-N 0 0 390.792 5.972 50 30 GKEARN C=CCN(C(=O)c1cccc(C(=O)N(CC=C)c2ccccc2)c1)c1ccccc1 ZINC000003158674 570763290 /nfs/dbraw/zinc/76/32/90/570763290.db2.gz JFHGUOQLSLQZOT-UHFFFAOYSA-N 0 0 396.490 5.352 50 30 GKEARN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)c1C#N ZINC000007059738 570775774 /nfs/dbraw/zinc/77/57/74/570775774.db2.gz LRMUJHWAFBVVGJ-KRWDZBQOSA-N 0 0 381.545 5.430 50 30 GKEARN CCCCCCCCC/C=C/C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000100837402 570776340 /nfs/dbraw/zinc/77/63/40/570776340.db2.gz ZBLYBBCUWIWODA-JKIKYLSZSA-N 0 0 393.593 5.306 50 30 GKEARN Cc1nc(SCC(=O)N[C@H](C)c2cccc3ccccc32)c(C#N)c(C)c1C ZINC000007097459 570788628 /nfs/dbraw/zinc/78/86/28/570788628.db2.gz BCBLDFNVKSTJAT-QGZVFWFLSA-N 0 0 389.524 5.001 50 30 GKEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005825418 570795288 /nfs/dbraw/zinc/79/52/88/570795288.db2.gz ZXZZPGIDEQSVKF-UCQKPKSFSA-N 0 0 384.431 5.531 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 ZINC000013881899 570798663 /nfs/dbraw/zinc/79/86/63/570798663.db2.gz UJLUQXYREFDZQR-VJGSLMQASA-N 0 0 390.502 5.863 50 30 GKEARN C[C@H](C#N)OC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000005888753 570800499 /nfs/dbraw/zinc/80/04/99/570800499.db2.gz KXRWWCWVUODBGP-QGZVFWFLSA-N 0 0 378.431 5.638 50 30 GKEARN C[C@@H](C#N)OC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000005888741 570800594 /nfs/dbraw/zinc/80/05/94/570800594.db2.gz KXRWWCWVUODBGP-KRWDZBQOSA-N 0 0 378.431 5.638 50 30 GKEARN CCCCOc1ccc(/C=C/C(=O)/C=C\c2ccc(OCCCC)cc2)cc1 ZINC000005894777 570801747 /nfs/dbraw/zinc/80/17/47/570801747.db2.gz PGDFHHWDEYAULU-MFUUIURDSA-N 0 0 378.512 6.340 50 30 GKEARN N#Cc1ccc(COC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000005938688 570805704 /nfs/dbraw/zinc/80/57/04/570805704.db2.gz LFBSULNROOVKIS-QZTJIDSGSA-N 0 0 376.481 5.185 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197823 570809483 /nfs/dbraw/zinc/80/94/83/570809483.db2.gz MMUZTYCZLMLMFX-HIFRSBDPSA-N 0 0 375.497 5.172 50 30 GKEARN Cc1ccc(Cn2cccc2/C=N\NC(=S)Nc2ccc(C)cc2Cl)cc1 ZINC000033096920 570809759 /nfs/dbraw/zinc/80/97/59/570809759.db2.gz RVUNBIHDFQSTMR-QRVIBDJDSA-N 0 0 396.947 5.127 50 30 GKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000005971959 570810640 /nfs/dbraw/zinc/81/06/40/570810640.db2.gz PGOUVWODWBTQLH-UHFFFAOYSA-N 0 0 385.901 5.066 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1 ZINC000005979309 570811076 /nfs/dbraw/zinc/81/10/76/570811076.db2.gz WWUOITNKDRXXRQ-ARLIEJOZSA-N 0 0 381.483 6.570 50 30 GKEARN CCCC[C@H](CC)COc1cc(C#N)c(OC[C@@H](CC)CCCC)cc1C#N ZINC000004664688 570811539 /nfs/dbraw/zinc/81/15/39/570811539.db2.gz CKCPPOLWIZCTAL-PMACEKPBSA-N 0 0 384.564 6.620 50 30 GKEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1 ZINC000018265199 570812372 /nfs/dbraw/zinc/81/23/72/570812372.db2.gz GPBQPHUUONSPNX-BKUYFWCQSA-N 0 0 399.475 5.272 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 ZINC000004145905 570815127 /nfs/dbraw/zinc/81/51/27/570815127.db2.gz IMJKUOFBXDXKFG-UHFFFAOYSA-N 0 0 394.302 5.869 50 30 GKEARN CCCCc1ccc(Nc2c(CC)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004675131 570816771 /nfs/dbraw/zinc/81/67/71/570816771.db2.gz ATOLTBVGBPRNOK-UHFFFAOYSA-N 0 0 382.511 6.316 50 30 GKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)c1 ZINC000004503123 570817122 /nfs/dbraw/zinc/81/71/22/570817122.db2.gz KVEBNVVUAMAVNU-SXGWCWSVSA-N 0 0 377.296 5.502 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCCc2ccccc2)c1CCC(C)C ZINC000004674724 570819558 /nfs/dbraw/zinc/81/95/58/570819558.db2.gz TWHIVVCPSXTLTG-UHFFFAOYSA-N 0 0 396.538 5.911 50 30 GKEARN Clc1ccccc1CSc1nncn1/N=C/c1c(Cl)cccc1Cl ZINC000001917899 570825622 /nfs/dbraw/zinc/82/56/22/570825622.db2.gz WINZKNIAUDTSFT-ODCIPOBUSA-N 0 0 397.718 5.413 50 30 GKEARN Cc1ccccc1-n1cnnc1SCc1ccc(-c2ccccc2C#N)cc1 ZINC000012517424 570826169 /nfs/dbraw/zinc/82/61/69/570826169.db2.gz CXBZTYXAHOEHOB-UHFFFAOYSA-N 0 0 382.492 5.407 50 30 GKEARN FC(F)(F)/C(=N/Sc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000012523628 570829925 /nfs/dbraw/zinc/82/99/25/570829925.db2.gz SZWFRWPBYPGIMK-LGUFXXKBSA-N 0 0 397.425 6.060 50 30 GKEARN Cn1c2ccccc2n(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=S ZINC000003204948 570837081 /nfs/dbraw/zinc/83/70/81/570837081.db2.gz NCVCITHDWUHWIA-ZVHZXABRSA-N 0 0 395.572 5.892 50 30 GKEARN O=C1ON(c2ccccc2)[C@@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000004694904 570840913 /nfs/dbraw/zinc/84/09/13/570840913.db2.gz GBRGAIAOKHSEGI-IBGZPJMESA-N 0 0 395.256 5.526 50 30 GKEARN Cc1ccc(Sc2oc(C=NNc3ccccc3)cc2Br)cc1 ZINC000004525935 570842956 /nfs/dbraw/zinc/84/29/56/570842956.db2.gz XXMSPFXJYCZFKC-UDWIEESQSA-N 0 0 387.302 5.948 50 30 GKEARN Clc1ccccc1NN=C(N=Nc1nc2ccccc2s1)c1ccccc1 ZINC000004524582 570843393 /nfs/dbraw/zinc/84/33/93/570843393.db2.gz ASHZYYDPBHSJEK-VNORZSCYSA-N 0 0 391.887 5.929 50 30 GKEARN Cc1nc(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(C#N)c(C)c1C ZINC000012542978 570843688 /nfs/dbraw/zinc/84/36/88/570843688.db2.gz AMLGBOQMWREKMN-CYBMUJFWSA-N 0 0 384.892 5.435 50 30 GKEARN COc1cc(C#N)ccc1O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000007470598 570846988 /nfs/dbraw/zinc/84/69/88/570846988.db2.gz ACQWJAQYUWMNFU-XMMPIXPASA-N 0 0 382.419 5.051 50 30 GKEARN CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000004705186 570854204 /nfs/dbraw/zinc/85/42/04/570854204.db2.gz AVERKEKXDOCRDR-PCLIKHOPSA-N 0 0 388.467 5.162 50 30 GKEARN COc1cccc(-n2cnnc2SCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000012550901 570854240 /nfs/dbraw/zinc/85/42/40/570854240.db2.gz HOWMDLVZWLVZFA-UHFFFAOYSA-N 0 0 398.491 5.107 50 30 GKEARN Cc1ccc2cc(/C=C/C(=O)c3ccc(Br)cc3)c(Cl)nc2c1 ZINC000004713077 570858352 /nfs/dbraw/zinc/85/83/52/570858352.db2.gz RDJWJADKVUTCPN-RMKNXTFCSA-N 0 0 386.676 5.855 50 30 GKEARN N#Cc1ccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 ZINC000004550165 570860813 /nfs/dbraw/zinc/86/08/13/570860813.db2.gz NYIHOFXKTMLLTH-WGOQTCKBSA-N 0 0 382.854 5.815 50 30 GKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(C)cc1 ZINC000044085560 570862230 /nfs/dbraw/zinc/86/22/30/570862230.db2.gz FJCUOYPKMSCNSZ-UHFFFAOYSA-N 0 0 385.330 5.888 50 30 GKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000044085457 570862409 /nfs/dbraw/zinc/86/24/09/570862409.db2.gz OGBQIGZUTIXJHC-UHFFFAOYSA-N 0 0 375.324 6.183 50 30 GKEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088115 570862972 /nfs/dbraw/zinc/86/29/72/570862972.db2.gz HXCFPESSGPMRSL-UHFFFAOYSA-N 0 0 388.439 5.427 50 30 GKEARN C=CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087898 570863001 /nfs/dbraw/zinc/86/30/01/570863001.db2.gz IOHOOLMPDCHQSM-UHFFFAOYSA-N 0 0 376.403 5.716 50 30 GKEARN Cc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087980 570863044 /nfs/dbraw/zinc/86/30/44/570863044.db2.gz URRBMQVJJLNUCC-UHFFFAOYSA-N 0 0 389.402 5.362 50 30 GKEARN COc1ccc(-c2cnc(SCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087714 570863087 /nfs/dbraw/zinc/86/30/87/570863087.db2.gz LAAHVMKRABNYQZ-UHFFFAOYSA-N 0 0 389.402 5.182 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1c(F)cccc1Cl ZINC000170615319 570872958 /nfs/dbraw/zinc/87/29/58/570872958.db2.gz LINPVMFQWOMQFI-KKSFZXQISA-N 0 0 386.850 5.107 50 30 GKEARN Cc1ccsc1CN(Cc1ccco1)c1oc(-c2ccccc2)nc1C#N ZINC000170623736 570881743 /nfs/dbraw/zinc/88/17/43/570881743.db2.gz UTEMBTHRYIKVOC-UHFFFAOYSA-N 0 0 375.453 5.383 50 30 GKEARN Cc1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000004562126 570889443 /nfs/dbraw/zinc/88/94/43/570889443.db2.gz IQPXWGQSRYZAEX-DHRITJCHSA-N 0 0 394.305 6.450 50 30 GKEARN CC1(C)c2ccccc2N=C1C=c1c(=O)c(=CC2Nc3ccccc3C2(C)C)c1=O ZINC000103831951 570889462 /nfs/dbraw/zinc/88/94/62/570889462.db2.gz VIIQDTCKCNREAM-BAAIDKLTSA-N 0 0 396.490 5.659 50 30 GKEARN Cc1ccc(SCCCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000010217872 570892252 /nfs/dbraw/zinc/89/22/52/570892252.db2.gz XKRGMBHDCNTDIX-UHFFFAOYSA-N 0 0 393.537 5.501 50 30 GKEARN CN(c1ccccc1)c1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000013615357 570899348 /nfs/dbraw/zinc/89/93/48/570899348.db2.gz BORCCJZOODXSLN-RCCKNPSSSA-N 0 0 388.854 5.452 50 30 GKEARN C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC ZINC000013914132 570902430 /nfs/dbraw/zinc/90/24/30/570902430.db2.gz IIDJQPZSIWETTM-WQRHYEAKSA-N 0 0 396.874 5.028 50 30 GKEARN O=C(COc1ccc2ccccc2c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000032905242 570903109 /nfs/dbraw/zinc/90/31/09/570903109.db2.gz XXPVGYMBTNUGEX-UHFFFAOYSA-N 0 0 383.472 5.319 50 30 GKEARN Cc1ccccc1/C=C1\C[C@H](c2ccccc2)C/C(=C/c2ccccc2C)C1=O ZINC000251142236 570903638 /nfs/dbraw/zinc/90/36/38/570903638.db2.gz CERKMSUKHYOQEO-DNHVJOJFSA-N 0 0 378.515 6.917 50 30 GKEARN CCC(C)(C)[C@@H]1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 ZINC000251203676 570904083 /nfs/dbraw/zinc/90/40/83/570904083.db2.gz CHHATOXYBZFDOW-DCHPAVENSA-N 0 0 380.478 6.847 50 30 GKEARN CC[C@H]1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C\c2ccc(SC)cc2)C1 ZINC000251560725 570905560 /nfs/dbraw/zinc/90/55/60/570905560.db2.gz ILFHXODWIJSRCM-RTZVLPBPSA-N 0 0 394.605 6.987 50 30 GKEARN C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000014632796 570907350 /nfs/dbraw/zinc/90/73/50/570907350.db2.gz VCXWQJIPHDASSM-OAHLLOKOSA-N 0 0 394.396 5.735 50 30 GKEARN CCOc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1OCC ZINC000032907502 570907880 /nfs/dbraw/zinc/90/78/80/570907880.db2.gz UNRJEDLGSWQFHV-UHFFFAOYSA-N 0 0 391.492 5.198 50 30 GKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(I)cc2)cc1 ZINC000051318684 570911222 /nfs/dbraw/zinc/91/12/22/570911222.db2.gz SSXSWAOTQVZRGR-VAWYXSNFSA-N 0 0 391.252 5.223 50 30 GKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000105263871 570919860 /nfs/dbraw/zinc/91/98/60/570919860.db2.gz XDSUORUHJZFDRR-JHJLEOOKSA-N 0 0 390.498 5.953 50 30 GKEARN Oc1ccc(Cl)cc1C=Nc1ccccc1N=Cc1cc(Cl)ccc1O ZINC000254402590 570922915 /nfs/dbraw/zinc/92/29/15/570922915.db2.gz CSIRXWCKACJTAW-UHFFFAOYSA-N 0 0 385.250 5.906 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1Cl ZINC000004035923 570923519 /nfs/dbraw/zinc/92/35/19/570923519.db2.gz FLBGZRASUOJRMN-JOCHJYFZSA-N 0 0 388.898 6.089 50 30 GKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000004039064 570923858 /nfs/dbraw/zinc/92/38/58/570923858.db2.gz LSFLDFZVAVGTSH-DNTJNYDQSA-N 0 0 382.703 6.216 50 30 GKEARN c1c2c(n(-c3ccccc3)c1-c1ccccc1)CCC/C2=N/OCc1ccccc1 ZINC000004053988 570926037 /nfs/dbraw/zinc/92/60/37/570926037.db2.gz DYVDIVYUQXJYNO-FVDSYPCUSA-N 0 0 392.502 6.402 50 30 GKEARN COC(=O)c1cc(-c2ccc(-c3ccc(/C=N\O)s3)s2)nc2ccccc21 ZINC000016667889 570930389 /nfs/dbraw/zinc/93/03/89/570930389.db2.gz REDAGBJJXUSHHG-NHDPSOOVSA-N 0 0 394.477 5.287 50 30 GKEARN COc1ccccc1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000004078903 570931213 /nfs/dbraw/zinc/93/12/13/570931213.db2.gz ZEQDYEPGMPABEY-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN C=CCn1c(SCc2ccccc2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002890932 570934246 /nfs/dbraw/zinc/93/42/46/570934246.db2.gz YRGQSQYIMPOASA-UHFFFAOYSA-N 0 0 394.521 5.505 50 30 GKEARN CCCCCCCCNc1c2cc(C)cc(C)c2nc2c1C(=O)CC(C)(C)C2 ZINC000002090385 570940148 /nfs/dbraw/zinc/94/01/48/570940148.db2.gz CXSOLNASQSZNPR-UHFFFAOYSA-N 0 0 380.576 6.779 50 30 biogenic GKEARN N#Cc1c(OCC(=O)c2cccs2)nc(-c2cccs2)cc1-c1ccco1 ZINC000002506061 570951878 /nfs/dbraw/zinc/95/18/78/570951878.db2.gz OICNUJRUTWVGLJ-UHFFFAOYSA-N 0 0 392.461 5.265 50 30 GKEARN O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000004737185 570952065 /nfs/dbraw/zinc/95/20/65/570952065.db2.gz JGENGNZRKQFPOL-TVXVBNPNSA-N 0 0 386.882 6.087 50 30 GKEARN O=c1oc2ccc3ccccc3c2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000004737293 570952235 /nfs/dbraw/zinc/95/22/35/570952235.db2.gz QZEDBVFDQDHXLR-ZMOGYAJESA-N 0 0 397.459 5.516 50 30 GKEARN COc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Cl ZINC000018255042 570952774 /nfs/dbraw/zinc/95/27/74/570952774.db2.gz NJWCZZDKNXLHSL-PXNMLYILSA-N 0 0 393.295 5.202 50 30 GKEARN S=C1N=NC(c2ccccc2)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000252429402 570955490 /nfs/dbraw/zinc/95/54/90/570955490.db2.gz LENQLZUSOKRLBK-UHFFFAOYSA-N 0 0 380.476 5.422 50 30 GKEARN CC1(C)[C@H]2CC[C@]1(C)CC2N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004746641 570958207 /nfs/dbraw/zinc/95/82/07/570958207.db2.gz QUCPONURMQLKQU-HZZRLUJLSA-N 0 0 394.371 6.731 50 30 GKEARN COc1ccc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc1 ZINC000004747046 570958602 /nfs/dbraw/zinc/95/86/02/570958602.db2.gz HVGBSMPJOSVXKP-XMHGGMMESA-N 0 0 389.838 5.913 50 30 GKEARN C(=Nc1ccc(N=Cc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 ZINC000252460671 570959974 /nfs/dbraw/zinc/95/99/74/570959974.db2.gz HGWGGYVQMKPRGQ-UHFFFAOYSA-N 0 0 384.482 7.494 50 30 GKEARN Cc1ccccc1-c1nc2cc(N=Cc3c(Cl)cccc3Cl)ccc2o1 ZINC000252461161 570960393 /nfs/dbraw/zinc/96/03/93/570960393.db2.gz LASFQMAVXCYDFP-UHFFFAOYSA-N 0 0 381.262 6.861 50 30 GKEARN O=C(Nc1ccccc1)c1cccc(CON=Cc2ccccc2OC(F)F)c1 ZINC000252463516 570961178 /nfs/dbraw/zinc/96/11/78/570961178.db2.gz RCNFJWMMIFWKHI-UHFFFAOYSA-N 0 0 396.393 5.091 50 30 GKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(c1ccccc1)N1CCCC1 ZINC000049611648 570965267 /nfs/dbraw/zinc/96/52/67/570965267.db2.gz VIJJZKFPOVHQCM-NDEPHWFRSA-N 0 0 391.514 5.853 50 30 GKEARN COc1ccc(C(=O)/C=C/C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000004756444 570966659 /nfs/dbraw/zinc/96/66/59/570966659.db2.gz NXDXYTZWZMACRQ-DTKKNGCVSA-N 0 0 382.463 5.442 50 30 GKEARN Cc1ccc(/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000003168196 570966984 /nfs/dbraw/zinc/96/69/84/570966984.db2.gz RFIQMRWABCWLEG-JVWAILMASA-N 0 0 399.877 6.771 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1 ZINC000008445836 570973717 /nfs/dbraw/zinc/97/37/17/570973717.db2.gz YWZFGXZZBJULBI-UHFFFAOYSA-N 0 0 395.547 6.193 50 30 GKEARN Cc1ccc(C)n1-c1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1 ZINC000001386319 570975489 /nfs/dbraw/zinc/97/54/89/570975489.db2.gz VHYSLIDOPSULHY-BUHFOSPRSA-N 0 0 395.300 5.665 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Br)c(C)c2)cc1 ZINC000044843242 570979985 /nfs/dbraw/zinc/97/99/85/570979985.db2.gz UUAIDWAQCVWAGW-VAWYXSNFSA-N 0 0 388.305 5.745 50 30 GKEARN N#CCCSc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000108200747 570985612 /nfs/dbraw/zinc/98/56/12/570985612.db2.gz QPBFDIKMHAKZCE-UHFFFAOYSA-N 0 0 399.928 5.722 50 30 GKEARN CC#Cc1cc(C[C@@H](CC)CCCC)c(C#CC)cc1C[C@@H](CC)CCCC ZINC000060290671 570988484 /nfs/dbraw/zinc/98/84/84/570988484.db2.gz CWDFKLNDSGZYPM-ZEQRLZLVSA-N 0 0 378.644 7.947 50 30 GKEARN CCCCCCOc1cc(C#N)c(OCCCCCC)cc1Br ZINC000002179656 570993225 /nfs/dbraw/zinc/99/32/25/570993225.db2.gz UXNOMDWRRHKAOY-UHFFFAOYSA-N 0 0 382.342 6.239 50 30 GKEARN Cc1cc(NCc2ccc(Cl)cc2Cl)n2c3ccccc3nc2c1C#N ZINC000001421412 570996660 /nfs/dbraw/zinc/99/66/60/570996660.db2.gz WHHJOQICRGRTRJ-UHFFFAOYSA-N 0 0 381.266 5.587 50 30 GKEARN COc1ccc(CN=Nc2nc3ccc(C)cc3c(-c3ccccc3)n2)cc1OC ZINC000252590917 571001106 /nfs/dbraw/zinc/00/11/06/571001106.db2.gz AXGZFDZLZFTUDJ-UHFFFAOYSA-N 0 0 398.466 5.068 50 30 GKEARN CC1=Nc2nc3ccccc3n2[C@H](c2cccc(F)c2)C1C(=O)c1ccccc1 ZINC000001427849 571001692 /nfs/dbraw/zinc/00/16/92/571001692.db2.gz OVBHDIVYNCLQEK-JOCHJYFZSA-N 0 0 383.426 5.347 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc(Cl)ccc4O)c3)oc2c1 ZINC000252596554 571003802 /nfs/dbraw/zinc/00/38/02/571003802.db2.gz CKJJFTYSIJWOOM-UHFFFAOYSA-N 0 0 376.843 6.221 50 30 GKEARN CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)CCCC4)c(C)c1 ZINC000252596825 571003808 /nfs/dbraw/zinc/00/38/08/571003808.db2.gz CMTPOYMJJBENKB-UHFFFAOYSA-N 0 0 393.560 5.171 50 30 GKEARN CSC1=NC(=Nc2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C)c1 ZINC000252597784 571004389 /nfs/dbraw/zinc/00/43/89/571004389.db2.gz CVMNVPYCYBBXNQ-UHFFFAOYSA-N 0 0 391.584 6.584 50 30 GKEARN CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2)ccc1O ZINC000252599406 571004669 /nfs/dbraw/zinc/00/46/69/571004669.db2.gz DINFUCDBVOLTDK-UHFFFAOYSA-N 0 0 391.858 5.510 50 30 GKEARN Cc1ccc(-c2nc3cc(N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000252598734 571004716 /nfs/dbraw/zinc/00/47/16/571004716.db2.gz DCWUMBICCMQXAO-WMUITUMOSA-N 0 0 383.407 6.127 50 30 GKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccccc3Cl)c(-c3ccccc3)c2c1 ZINC000004891387 571005284 /nfs/dbraw/zinc/00/52/84/571005284.db2.gz VXRVGZFZSCZDNC-WYMLVPIESA-N 0 0 399.877 6.053 50 30 GKEARN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000252602484 571006144 /nfs/dbraw/zinc/00/61/44/571006144.db2.gz FJBJZTKHQVRSBI-IYLIDVPDSA-N 0 0 387.508 5.715 50 30 GKEARN O=C(N=C1c2ccccc2CN1c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000252604642 571006551 /nfs/dbraw/zinc/00/65/51/571006551.db2.gz GBYRYFBNAIZJTO-UHFFFAOYSA-N 0 0 396.877 6.100 50 30 GKEARN COc1ccc(N=C2S/C(=C/c3ccc(C)s3)C(=O)N2CC(C)C)cc1 ZINC000252604818 571006587 /nfs/dbraw/zinc/00/65/87/571006587.db2.gz GDSLTYMPFOSGQT-VOBJICJNSA-N 0 0 386.542 5.325 50 30 GKEARN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(CC)cc3)N(C)C2=O)cc1 ZINC000252608324 571008024 /nfs/dbraw/zinc/00/80/24/571008024.db2.gz HJCCBIOUASZVDY-COSNONQRSA-N 0 0 378.497 5.048 50 30 GKEARN COc1ccc(N=C2S/C(=C/c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000252616322 571018625 /nfs/dbraw/zinc/01/86/25/571018625.db2.gz JZKZXUMBEFSGTI-FTEWTSQZSA-N 0 0 380.513 5.264 50 30 GKEARN COc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2)ccc1O ZINC000252616760 571018771 /nfs/dbraw/zinc/01/87/71/571018771.db2.gz KEVNKXKOXUQGOM-UHFFFAOYSA-N 0 0 377.831 5.120 50 30 GKEARN C=CCOc1cc(N(CC)CC)ccc1C=Nc1sc2c(c1C#N)CCCC2 ZINC000252617203 571018864 /nfs/dbraw/zinc/01/88/64/571018864.db2.gz KOKXKDZZNOWGSY-UHFFFAOYSA-N 0 0 393.556 5.660 50 30 GKEARN CSC1=NC(=Nc2cccc(Cl)c2)C2(CCCCC2)N1c1ccc(C)cc1 ZINC000252616840 571018901 /nfs/dbraw/zinc/01/89/01/571018901.db2.gz KGPSESVYSFQJIU-UHFFFAOYSA-N 0 0 397.975 6.621 50 30 GKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccccc2O)c1-c1ccc(Cl)cc1 ZINC000252617451 571019133 /nfs/dbraw/zinc/01/91/33/571019133.db2.gz KTBOXGBFAHGMJP-UHFFFAOYSA-N 0 0 387.870 5.957 50 30 GKEARN CC(C)(C)c1cc(Oc2cccc(F)c2)nc(SCc2ccccc2C#N)n1 ZINC000037509894 571021243 /nfs/dbraw/zinc/02/12/43/571021243.db2.gz RHWIIWJKTITPRC-UHFFFAOYSA-N 0 0 393.487 5.869 50 30 GKEARN O=C1/C(=C/C=C\c2ccccc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252619138 571022031 /nfs/dbraw/zinc/02/20/31/571022031.db2.gz LNFZXPUTSFDDBD-VYQKDUKNSA-N 0 0 382.488 6.051 50 30 GKEARN Cc1ccc2nc(N=NC(C)c3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000252620060 571025426 /nfs/dbraw/zinc/02/54/26/571025426.db2.gz LWVTWBZWGLZNBW-UHFFFAOYSA-N 0 0 392.466 5.318 50 30 GKEARN CCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=Nc1ccccc1 ZINC000252621665 571033482 /nfs/dbraw/zinc/03/34/82/571033482.db2.gz NECQTQRAJNKAAT-SPDSTVKKSA-N 0 0 396.512 5.108 50 30 GKEARN N#Cc1c(N=Cc2c(O)ccc3ccccc32)oc(-c2ccoc2)c1-c1ccco1 ZINC000252621457 571033490 /nfs/dbraw/zinc/03/34/90/571033490.db2.gz MYVMFZZNOVAZOS-UHFFFAOYSA-N 0 0 394.386 6.281 50 30 GKEARN O=C1/C(=C/c2ccccc2)SC(=Nc2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000252621695 571033506 /nfs/dbraw/zinc/03/35/06/571033506.db2.gz NEUTYJGEEKKTFP-FTNSYOLJSA-N 0 0 392.430 5.773 50 30 GKEARN FC(F)(F)c1cccc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn32)c1 ZINC000252622165 571033915 /nfs/dbraw/zinc/03/39/15/571033915.db2.gz NQDYTPZPTFFQQJ-UHFFFAOYSA-N 0 0 389.764 6.017 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(N=Cc4cc(Cl)ccc4O)c3)nc2c1 ZINC000252622686 571033925 /nfs/dbraw/zinc/03/39/25/571033925.db2.gz OAMFHAAAHPANMS-UHFFFAOYSA-N 0 0 376.843 6.221 50 30 GKEARN Cc1ccc2oc(-c3cccc(N=Cc4c(O)ccc5ccccc54)c3)nc2c1 ZINC000252621905 571033986 /nfs/dbraw/zinc/03/39/86/571033986.db2.gz NJRNSCHJQCJRLY-UHFFFAOYSA-N 0 0 378.431 6.413 50 30 GKEARN Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(F)cc2)n1 ZINC000252623061 571034455 /nfs/dbraw/zinc/03/44/55/571034455.db2.gz OJCPQZJGWODJJI-UHFFFAOYSA-N 0 0 384.414 5.101 50 30 GKEARN Cc1ccc(-c2nc3cc(N=C/C=C\c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000252623242 571034874 /nfs/dbraw/zinc/03/48/74/571034874.db2.gz ONCNHUQKMBDCDL-BVZVNWIJSA-N 0 0 383.407 6.127 50 30 GKEARN CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)SC1=Nc1ccc(OCC)cc1 ZINC000252623944 571037365 /nfs/dbraw/zinc/03/73/65/571037365.db2.gz PCTLXVJKLCJZFI-HNNYNVTISA-N 0 0 397.544 5.055 50 30 GKEARN CCCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)SC1=Nc1ccccc1 ZINC000252624146 571037754 /nfs/dbraw/zinc/03/77/54/571037754.db2.gz PHMDPGIWMKWIOQ-COSNONQRSA-N 0 0 380.513 5.408 50 30 GKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 ZINC000252624874 571038684 /nfs/dbraw/zinc/03/86/84/571038684.db2.gz PXCMCIIVMGUWTL-UHFFFAOYSA-N 0 0 377.391 5.284 50 30 GKEARN C=CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 ZINC000005799001 571043881 /nfs/dbraw/zinc/04/38/81/571043881.db2.gz VWEBPVNAMWIUPI-QHCPKHFHSA-N 0 0 397.478 5.410 50 30 GKEARN C=CCN(C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2)c1ccccc1 ZINC000015677692 571043932 /nfs/dbraw/zinc/04/39/32/571043932.db2.gz SWYJZRXIOJPQCT-UHFFFAOYSA-N 0 0 385.511 5.418 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1[N+](=O)[O-] ZINC000004816071 571094857 /nfs/dbraw/zinc/09/48/57/571094857.db2.gz ZTKHPLXUFGBEKJ-IBGZPJMESA-N 0 0 394.471 5.408 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2 ZINC000004816032 571094872 /nfs/dbraw/zinc/09/48/72/571094872.db2.gz OOPVWEDAQPUTMZ-HXUWFJFHSA-N 0 0 393.483 5.229 50 30 GKEARN COc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000885427 230819845 /nfs/dbraw/zinc/81/98/45/230819845.db2.gz XCPDYISMPLCKGJ-DEOSSOPVSA-N 0 0 384.479 5.553 50 30 GKEARN Cc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780545 230822506 /nfs/dbraw/zinc/82/25/06/230822506.db2.gz ZFGJJXVVLNFSDA-LFVJCYFKSA-N 0 0 384.508 5.428 50 30 GKEARN Cc1ccc(C(C)C)cc1OC(=O)c1cn(CCC#N)nc1-c1cccs1 ZINC000003410480 230830264 /nfs/dbraw/zinc/83/02/64/230830264.db2.gz QNZLGCXBPCTUGE-UHFFFAOYSA-N 0 0 379.485 5.176 50 30 GKEARN O=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 ZINC000008690722 230867194 /nfs/dbraw/zinc/86/71/94/230867194.db2.gz XVOVQMXJRXWHJZ-YPKPFQOOSA-N 0 0 386.378 5.687 50 30 GKEARN Cc1ccccc1Cn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000012436703 230879652 /nfs/dbraw/zinc/87/96/52/230879652.db2.gz LQMBNJVSPLWDRU-UHFFFAOYSA-N 0 0 375.859 5.683 50 30 GKEARN Cc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)C1=O ZINC000009047655 230870533 /nfs/dbraw/zinc/87/05/33/230870533.db2.gz FXRCVQVWQRHSCR-FMCGGJTJSA-N 0 0 393.527 5.431 50 30 GKEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000030851958 230916269 /nfs/dbraw/zinc/91/62/69/230916269.db2.gz YYSRXNGSWBCMFC-SREVYHEPSA-N 0 0 391.254 5.103 50 30 GKEARN O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1c1ccccc1 ZINC000100327187 231006306 /nfs/dbraw/zinc/00/63/06/231006306.db2.gz ZDFFTLGLNOMTTD-CLCOLTQESA-N 0 0 382.250 5.488 50 30 GKEARN O=C1/C(=N\c2ccc(Oc3ccccc3)cc2)c2ccccc2N1c1ccccc1 ZINC000100327218 231006601 /nfs/dbraw/zinc/00/66/01/231006601.db2.gz VGDRXUZZWBBWQM-RFBIWTDZSA-N 0 0 390.442 6.278 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(F)cc1)C2=O ZINC000245319093 231040559 /nfs/dbraw/zinc/04/05/59/231040559.db2.gz ZEZJMEPOMUWRBS-ATANXXGXSA-N 0 0 394.530 5.712 50 30 GKEARN O=C(Cc1ccc(Cl)cc1)O[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000328592461 231045764 /nfs/dbraw/zinc/04/57/64/231045764.db2.gz QOUIVWCZJKTOBA-OAQYLSRUSA-N 0 0 379.843 5.455 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018199307 210217090 /nfs/dbraw/zinc/21/70/90/210217090.db2.gz UESOHZFNLOWQFW-QHCPKHFHSA-N 0 0 398.510 5.085 50 30 GKEARN Cc1ccsc1[C@@H]1c2c(C)nn(-c3ccc(C)cc3)c2NC2=C1C(=O)CCC2 ZINC000018196666 210217201 /nfs/dbraw/zinc/21/72/01/210217201.db2.gz XPNOICFTJWRGGX-OAQYLSRUSA-N 0 0 389.524 5.424 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(C)ccc1O)C1=C(CCCC1=O)N2 ZINC000018196974 210216841 /nfs/dbraw/zinc/21/68/41/210216841.db2.gz BBQHCXWTJGTVHE-HSZRJFAPSA-N 0 0 399.494 5.068 50 30 GKEARN C/C(=N\N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000016134067 210184574 /nfs/dbraw/zinc/18/45/74/210184574.db2.gz DOXQSYRMLIQLTA-UHWBUFEVSA-N 0 0 394.110 5.445 50 30 GKEARN COc1ccccc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000014185354 210107450 /nfs/dbraw/zinc/10/74/50/210107450.db2.gz HMDJFQXZVWFQBU-UHFFFAOYSA-N 0 0 399.475 5.576 50 30 GKEARN COc1ccccc1N1C(=S)N=C(Nc2c(C)cccc2C)C12CCCC2 ZINC000013635236 210073848 /nfs/dbraw/zinc/07/38/48/210073848.db2.gz LBNDWPBDALEETI-UHFFFAOYSA-N 0 0 379.529 5.461 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000013371940 210061173 /nfs/dbraw/zinc/06/11/73/210061173.db2.gz YHVKPXPCEHMRIO-UHFFFAOYSA-N 0 0 392.527 6.888 50 30 GKEARN Cc1occc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1C ZINC000012971411 210035207 /nfs/dbraw/zinc/03/52/07/210035207.db2.gz VSLBYOPDQMNKNP-UHFFFAOYSA-N 0 0 386.480 5.215 50 30 GKEARN N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000012808913 210013269 /nfs/dbraw/zinc/01/32/69/210013269.db2.gz GWTUKVRPRDVHJL-YVLHZVERSA-N 0 0 389.867 5.260 50 30 GKEARN Cc1nc(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(C#N)c(C)c1C ZINC000012542979 209971614 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380.403 5.237 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC(Cl)=Cc1ccccc1 ZINC000006227984 209639647 /nfs/dbraw/zinc/63/96/47/209639647.db2.gz VFIFEXVNJAVGCJ-SKGUUVROSA-N 0 0 375.284 5.001 50 30 GKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000004985265 209554245 /nfs/dbraw/zinc/55/42/45/209554245.db2.gz NMKIKEJNRBYDGU-NLRVBDNBSA-N 0 0 383.520 6.622 50 30 GKEARN N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004690322 209511573 /nfs/dbraw/zinc/51/15/73/209511573.db2.gz YUZWDWMLNKUICX-BXWFABGCSA-N 0 0 399.263 5.317 50 30 GKEARN CCOc1cccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)c1 ZINC000004413748 209487077 /nfs/dbraw/zinc/48/70/77/209487077.db2.gz GRKMGALGKBSTAH-QFIPXVFZSA-N 0 0 391.467 5.015 50 30 GKEARN N#CCSc1sc(C#N)c(NC(=O)c2ccc(F)cc2)c1-c1ccccc1 ZINC000004014200 209457664 /nfs/dbraw/zinc/45/76/64/209457664.db2.gz UJJUFSTZXKHSRU-UHFFFAOYSA-N 0 0 393.468 5.294 50 30 GKEARN N#C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl ZINC000003134254 209413367 /nfs/dbraw/zinc/41/33/67/209413367.db2.gz KYHLQMYFXGDOGH-GFCCVEGCSA-N 0 0 397.636 6.418 50 30 GKEARN Cc1cc(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(C)c1Cl ZINC000003066572 209409711 /nfs/dbraw/zinc/40/97/11/209409711.db2.gz JIYSKFONMYTITB-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN CCOC(=O)c1sc(S[C@@H](C)CC)c(C#N)c1-c1ccc(Cl)cc1 ZINC000003045714 209408200 /nfs/dbraw/zinc/40/82/00/209408200.db2.gz WQNGDNNFSTXNFA-NSHDSACASA-N 0 0 379.934 6.007 50 30 GKEARN Cc1nc2cc(/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc2n1C ZINC000002898031 209395538 /nfs/dbraw/zinc/39/55/38/209395538.db2.gz CKAMWCJYMXHYNT-AFUMVMLFSA-N 0 0 377.532 5.933 50 30 GKEARN Cc1sc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(C#N)c1C ZINC000002872600 209394330 /nfs/dbraw/zinc/39/43/30/209394330.db2.gz IJEWDGAFUCPAIE-UHFFFAOYSA-N 0 0 391.861 5.265 50 30 GKEARN N#Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000002819983 209389435 /nfs/dbraw/zinc/38/94/35/209389435.db2.gz SZPMNHYAQPLNOP-UHFFFAOYSA-N 0 0 388.426 6.682 50 30 GKEARN CC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C1C(=O)c2ccccc2C1=O ZINC000002561594 209369709 /nfs/dbraw/zinc/36/97/09/209369709.db2.gz PJWZBFZQMXBTSQ-UHFFFAOYSA-N 0 0 399.290 5.489 50 30 GKEARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](CC)C2 ZINC000002777422 209383967 /nfs/dbraw/zinc/38/39/67/209383967.db2.gz VNQFRPVAIGQNOF-OXJNMPFZSA-N 0 0 396.556 5.548 50 30 GKEARN Cc1cc2nc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C ZINC000002756882 209382878 /nfs/dbraw/zinc/38/28/78/209382878.db2.gz OFZPYPUJFCNQMO-DFJXIDDLSA-N 0 0 397.434 6.436 50 30 GKEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000002738964 209381178 /nfs/dbraw/zinc/38/11/78/209381178.db2.gz GLJICXDBUWLSLJ-NYUWMOHMSA-N 0 0 394.540 5.431 50 30 GKEARN Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 ZINC000002663825 209376328 /nfs/dbraw/zinc/37/63/28/209376328.db2.gz BCINNLLKKRPAJY-UHFFFAOYSA-N 0 0 376.843 5.205 50 30 GKEARN C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002645373 209374649 /nfs/dbraw/zinc/37/46/49/209374649.db2.gz VFEGKAXADAJOJK-NSHDSACASA-N 0 0 375.284 5.245 50 30 GKEARN Cc1ccc(-c2c(C#N)c(SC/C=C/c3ccccc3)nc3c2CCCC3)cc1 ZINC000002185038 209348697 /nfs/dbraw/zinc/34/86/97/209348697.db2.gz YFQFJPHPSZJAIT-JXMROGBWSA-N 0 0 396.559 6.613 50 30 GKEARN CCn1c2ccccc2c2cc(/N=C/c3cc(Br)ccc3O)ccc21 ZINC000002322724 209357483 /nfs/dbraw/zinc/35/74/83/209357483.db2.gz LTHSAPPDVCZGMW-YDZHTSKRSA-N 0 0 393.284 6.033 50 30 GKEARN Cn1c2ccccc2s/c1=N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002275109 209353609 /nfs/dbraw/zinc/35/36/09/209353609.db2.gz SCTIVTUCVJMYLR-ASFQDVQESA-N 0 0 395.572 5.475 50 30 GKEARN CCCCCCCCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 ZINC000002246431 209353067 /nfs/dbraw/zinc/35/30/67/209353067.db2.gz CPKOUINMKNOCHE-UHFFFAOYSA-N 0 0 396.535 5.340 50 30 GKEARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000002235844 209350869 /nfs/dbraw/zinc/35/08/69/209350869.db2.gz HHLMDICRFZOOFZ-UHFFFAOYSA-N 0 0 396.899 5.973 50 30 GKEARN COc1ccc2oc(-c3ccc(/N=C/c4c(O)ccc5ccccc54)cc3)nc2c1 ZINC000001512260 209331982 /nfs/dbraw/zinc/33/19/82/209331982.db2.gz PQELHEUEJIIUSM-CVKSISIWSA-N 0 0 394.430 6.113 50 30 GKEARN Oc1ccc(/N=C/C=C/c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2o1 ZINC000001953827 209343654 /nfs/dbraw/zinc/34/36/54/209343654.db2.gz WDEPGPUWONSCFP-NABLLQKMSA-N 0 0 384.391 5.345 50 30 GKEARN Oc1ccc(Br)cc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710167 209336802 /nfs/dbraw/zinc/33/68/02/209336802.db2.gz YUAUIPHIWKOMRY-WSDLNYQXSA-N 0 0 377.241 5.007 50 30 GKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001577144 209334425 /nfs/dbraw/zinc/33/44/25/209334425.db2.gz PLGPSDNOLCVGSS-UHFFFAOYSA-N 0 0 384.478 6.791 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001392494 209325287 /nfs/dbraw/zinc/32/52/87/209325287.db2.gz LFGXZBMLHOHGOR-DEOSSOPVSA-N 0 0 389.543 5.591 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)s1 ZINC000001496788 209331396 /nfs/dbraw/zinc/33/13/96/209331396.db2.gz LGRLFXNLFNJJJR-SRZZPIQSSA-N 0 0 397.843 5.792 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000001496784 209331227 /nfs/dbraw/zinc/33/12/27/209331227.db2.gz CMUZUHCZTXALHG-WYMPLXKRSA-N 0 0 397.261 6.182 50 30 GKEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3cccc(Cl)c3)nc12 ZINC000001469978 209329496 /nfs/dbraw/zinc/32/94/96/209329496.db2.gz WGRNDRDFHYJIMJ-ZVHZXABRSA-N 0 0 388.858 5.151 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001215405 209315212 /nfs/dbraw/zinc/31/52/12/209315212.db2.gz VDSJTYGXADMSLC-NIYFSFCBSA-N 0 0 398.481 6.114 50 30 GKEARN COc1ccccc1/N=C/c1c2c(cc(C(C)(C)C)c1O)oc1c2CCCC1 ZINC000001253325 209317055 /nfs/dbraw/zinc/31/70/55/209317055.db2.gz LAWBESHEVWTZSB-AFUMVMLFSA-N 0 0 377.484 6.074 50 30 GKEARN N#CCc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000001098465 209299125 /nfs/dbraw/zinc/29/91/25/209299125.db2.gz BGOPWJDZSGVGRV-UHFFFAOYSA-N 0 0 392.911 5.951 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccccc1Cl ZINC000001080099 209298507 /nfs/dbraw/zinc/29/85/07/209298507.db2.gz IKEMJRSYRNKBGK-QGZVFWFLSA-N 0 0 397.877 5.643 50 30 GKEARN COc1ccc(/C=N/c2ccc(I)cc2)c2ccccc12 ZINC000001087168 209300120 /nfs/dbraw/zinc/30/01/20/209300120.db2.gz GUXRVJWJFFQTNB-UDWIEESQSA-N 0 0 387.220 5.204 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 ZINC000001076908 209296427 /nfs/dbraw/zinc/29/64/27/209296427.db2.gz WJALYJZEKZQZGL-SIBVEZHUSA-N 0 0 398.481 6.114 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000001082095 209298458 /nfs/dbraw/zinc/29/84/58/209298458.db2.gz GQPSVFYAIRVIDP-FQEVSTJZSA-N 0 0 397.862 5.470 50 30 GKEARN Cc1ccccc1[C@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 ZINC000001079915 209298488 /nfs/dbraw/zinc/29/84/88/209298488.db2.gz WGVRRRLPPOKTEQ-GOSISDBHSA-N 0 0 399.412 5.541 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccccc1 ZINC000001079450 209297880 /nfs/dbraw/zinc/29/78/80/209297880.db2.gz WCYJSJCWCXMQRV-INIZCTEOSA-N 0 0 386.278 5.521 50 30 GKEARN C(=N/c1ccc(N2CCOCC2)cc1)\c1cn(Cc2ccccc2)c2ccccc12 ZINC000001085324 209297581 /nfs/dbraw/zinc/29/75/81/209297581.db2.gz FHAVXGAPHHERQB-OVVQPSECSA-N 0 0 395.506 5.277 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000001069561 209297152 /nfs/dbraw/zinc/29/71/52/209297152.db2.gz HCZWHEHUBVPCCU-JOCHJYFZSA-N 0 0 399.450 5.344 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000001069556 209296857 /nfs/dbraw/zinc/29/68/57/209296857.db2.gz HCZWHEHUBVPCCU-QFIPXVFZSA-N 0 0 399.450 5.344 50 30 GKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccco1 ZINC000001049173 209293956 /nfs/dbraw/zinc/29/39/56/209293956.db2.gz UKQYEPKBKQREAO-INIZCTEOSA-N 0 0 385.250 5.803 50 30 GKEARN COc1ccc(-c2nc(SCc3ccccc3)nc(SC)c2C#N)cc1 ZINC000001045358 209292829 /nfs/dbraw/zinc/29/28/29/209292829.db2.gz SCLGQBFFJFMVKP-UHFFFAOYSA-N 0 0 379.510 5.038 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000000996544 209287121 /nfs/dbraw/zinc/28/71/21/209287121.db2.gz LEEXKVKWHYDREO-CQSZACIVSA-N 0 0 386.948 5.605 50 30 GKEARN N#Cc1ccccc1Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000000977311 209284920 /nfs/dbraw/zinc/28/49/20/209284920.db2.gz FCTKKKBHHWZNCQ-UHFFFAOYSA-N 0 0 388.426 5.024 50 30 GKEARN Cc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)s1 ZINC000000955291 209283832 /nfs/dbraw/zinc/28/38/32/209283832.db2.gz JNPKFUFMCNHDRW-LPYMAVHISA-N 0 0 398.553 5.533 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000000847935 209271909 /nfs/dbraw/zinc/27/19/09/209271909.db2.gz VEOIBEOENDZGJZ-FOKLQQMPSA-N 0 0 383.234 6.258 50 30 GKEARN COc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000000828712 209270550 /nfs/dbraw/zinc/27/05/50/209270550.db2.gz BGCPPTITULUGEY-VWLOTQADSA-N 0 0 383.491 6.158 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(C#N)cc1 ZINC000000832964 209270614 /nfs/dbraw/zinc/27/06/14/209270614.db2.gz WXBXSFSCEIBENK-RUZDIDTESA-N 0 0 378.475 6.021 50 30 GKEARN COc1cc(Br)cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1O ZINC000000826561 209269067 /nfs/dbraw/zinc/26/90/67/209269067.db2.gz SQSSZOGVURMJKU-SSDVNMTOSA-N 0 0 396.240 5.813 50 30 GKEARN CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000000826388 209269682 /nfs/dbraw/zinc/26/96/82/209269682.db2.gz CVAMOBTXTRREQY-OEAKJJBVSA-N 0 0 386.411 5.220 50 30 GKEARN COc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000000796466 209266142 /nfs/dbraw/zinc/26/61/42/209266142.db2.gz QZFRUQQBCQKZLN-JOCHJYFZSA-N 0 0 392.499 5.240 50 30 GKEARN CC1(C)Cc2nc(S[C@H]3C=CCCC3)c(C#N)c(-c3ccccc3)c2C(=O)C1 ZINC000000755774 209264184 /nfs/dbraw/zinc/26/41/84/209264184.db2.gz WQNNCFMXOLPYQJ-KRWDZBQOSA-N 0 0 388.536 5.976 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000720481 209262626 /nfs/dbraw/zinc/26/26/26/209262626.db2.gz VWTJBNWEENSQDU-QKFKETGDSA-N 0 0 390.483 5.867 50 30 GKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000000661335 209256853 /nfs/dbraw/zinc/25/68/53/209256853.db2.gz HRHPOWSISNAKAL-UHFFFAOYSA-N 0 0 391.555 5.782 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2F)C3)cc1 ZINC000000672634 209257773 /nfs/dbraw/zinc/25/77/73/209257773.db2.gz NELUQOAPNAPINQ-QYBDOPJKSA-N 0 0 398.481 6.114 50 30 GKEARN N#C[C@H](c1c(Cl)cccc1Cl)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624466 209252124 /nfs/dbraw/zinc/25/21/24/209252124.db2.gz GJUKEXQFCDFTSI-OALUTQOASA-N 0 0 394.301 6.657 50 30 GKEARN N#C[C@@H](c1ccc(Cl)cc1Cl)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624507 209251587 /nfs/dbraw/zinc/25/15/87/209251587.db2.gz XSJFRQQBUYAFHC-RTWAWAEBSA-N 0 0 394.301 6.657 50 30 GKEARN N#C[C@@H](c1c(Cl)cccc1Cl)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624459 209251747 /nfs/dbraw/zinc/25/17/47/209251747.db2.gz GJUKEXQFCDFTSI-RTBURBONSA-N 0 0 394.301 6.657 50 30 GKEARN O=C1c2ccc(OCc3c(Cl)cccc3Cl)cc2O/C1=C\c1ccco1 ZINC000005254611 209231064 /nfs/dbraw/zinc/23/10/64/209231064.db2.gz YLHYNJLEPGIAJE-GRSHGNNSSA-N 0 0 387.218 5.782 50 30 GKEARN C=C(C)COc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000004340588 209231575 /nfs/dbraw/zinc/23/15/75/209231575.db2.gz FRNJAXIJIQQSBZ-UHFFFAOYSA-N 0 0 385.257 5.486 50 30 GKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257349498 209224147 /nfs/dbraw/zinc/22/41/47/209224147.db2.gz OMXMJJANSZPKPZ-MBXWITQKSA-N 0 0 384.692 8.664 50 30 GKEARN COc1ccc(O)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000001883618 212259123 /nfs/dbraw/zinc/25/91/23/212259123.db2.gz QYZLZSNBVAQUPS-JVWAILMASA-N 0 0 394.430 5.950 50 30 GKEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccccc1C(F)(F)F ZINC000001881075 212258961 /nfs/dbraw/zinc/25/89/61/212258961.db2.gz QLPUXZFDGKSRPO-KIBLKLHPSA-N 0 0 399.397 5.026 50 30 GKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccccc2Cl)cc1 ZINC000001884406 212258207 /nfs/dbraw/zinc/25/82/07/212258207.db2.gz UAVVTYYLWBWDCD-GUFLCCFCSA-N 0 0 385.850 6.529 50 30 GKEARN COCCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000001794738 212257574 /nfs/dbraw/zinc/25/75/74/212257574.db2.gz JHTJAFILCHWSER-UHFFFAOYSA-N 0 0 386.929 5.741 50 30 GKEARN N#Cc1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CCCC2 ZINC000001769318 212256332 /nfs/dbraw/zinc/25/63/32/212256332.db2.gz BFUZPDYMBVEGLG-UHFFFAOYSA-N 0 0 386.520 5.536 50 30 GKEARN CCOC(=O)c1c(NC2=CC(=O)C[C@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000001445987 212246357 /nfs/dbraw/zinc/24/63/57/212246357.db2.gz VFIFMHORVCJYFT-MRXNPFEDSA-N 0 0 395.524 5.246 50 30 GKEARN N#Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Sc1ccccc1 ZINC000001383084 212241503 /nfs/dbraw/zinc/24/15/03/212241503.db2.gz MRGHORCMHILFME-UHFFFAOYSA-N 0 0 398.409 5.981 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000001311596 212235768 /nfs/dbraw/zinc/23/57/68/212235768.db2.gz YPDJDGBRBJUYMS-QHCPKHFHSA-N 0 0 390.483 5.254 50 30 GKEARN CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)N=C2c3ccccc3C(=O)C21 ZINC000001268346 212234240 /nfs/dbraw/zinc/23/42/40/212234240.db2.gz CTZQOXBYLRRAIB-NRFANRHFSA-N 0 0 399.490 5.598 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001215407 212230072 /nfs/dbraw/zinc/23/00/72/212230072.db2.gz VDSJTYGXADMSLC-SIBVEZHUSA-N 0 0 398.481 6.114 50 30 GKEARN CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=N/O)ccc21 ZINC000001191836 212226942 /nfs/dbraw/zinc/22/69/42/212226942.db2.gz JEFBQULJXJIZKG-MFKUBSTISA-N 0 0 380.451 5.475 50 30 GKEARN Cc1cc(C)c(C#N)c(SC[C@@H](O)CSc2ccc(C(C)(C)C)cc2)n1 ZINC000001139881 212221494 /nfs/dbraw/zinc/22/14/94/212221494.db2.gz YJASSEGPGVNGCQ-KRWDZBQOSA-N 0 0 386.586 5.113 50 30 GKEARN Cc1c(C#N)c2c3ccccc3ccn2c1C(=O)c1ccc(Br)cc1 ZINC000001096645 212216229 /nfs/dbraw/zinc/21/62/29/212216229.db2.gz CNKAQMVKYNHIQR-UHFFFAOYSA-N 0 0 389.252 5.266 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C[C@H]2c1cccs1 ZINC000001076247 212214433 /nfs/dbraw/zinc/21/44/33/212214433.db2.gz ZTLBCVYDVZTBHU-HNNXBMFYSA-N 0 0 385.916 5.565 50 30 GKEARN N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCCc1ccccc1 ZINC000001050034 212209600 /nfs/dbraw/zinc/20/96/00/212209600.db2.gz TYMNLYOVHWNXKG-UHFFFAOYSA-N 0 0 388.254 5.087 50 30 GKEARN N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000001043887 212209357 /nfs/dbraw/zinc/20/93/57/212209357.db2.gz CSRUWLKXMXJGDI-UHFFFAOYSA-N 0 0 390.748 5.743 50 30 GKEARN CSc1sc(C(=O)Nc2cccc(Cl)c2)c(-c2cccs2)c1C#N ZINC000001037549 212208823 /nfs/dbraw/zinc/20/88/23/212208823.db2.gz BKPRPEXQFUGHDE-UHFFFAOYSA-N 0 0 390.942 5.976 50 30 GKEARN C=COC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000000989284 212203107 /nfs/dbraw/zinc/20/31/07/212203107.db2.gz FFIOJHRDYYAGEZ-UHFFFAOYSA-N 0 0 384.507 5.189 50 30 GKEARN N#CC(C#N)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000000984249 212201359 /nfs/dbraw/zinc/20/13/59/212201359.db2.gz UQKUMXHJHSSGAI-INIZCTEOSA-N 0 0 377.658 5.667 50 30 GKEARN O=C(Oc1ccc2cccc3c2c1C(=O)C=C3)c1ccccc1Br ZINC000000971377 212201205 /nfs/dbraw/zinc/20/12/05/212201205.db2.gz CNGMAIKRLWCRIU-UHFFFAOYSA-N 0 0 379.209 5.031 50 30 GKEARN Cc1ccccc1/N=C1\S[C@@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000851686 212190589 /nfs/dbraw/zinc/19/05/89/212190589.db2.gz UMLIEDAAUGOEKV-ZBIUUBHZSA-N 0 0 393.434 5.671 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000856564 212189685 /nfs/dbraw/zinc/18/96/85/212189685.db2.gz FOIUGCMBJJWIKV-CJAUYULYSA-N 0 0 384.454 5.805 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc2c(c1)OCO2 ZINC000000850324 212188842 /nfs/dbraw/zinc/18/88/42/212188842.db2.gz IESKUCFVRMSCNB-DEOSSOPVSA-N 0 0 398.462 5.273 50 30 GKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000826924 212187544 /nfs/dbraw/zinc/18/75/44/212187544.db2.gz BRHVVCKVDHPBLN-VWLOTQADSA-N 0 0 383.491 6.158 50 30 GKEARN Cc1c(Oc2ccc(C#N)c(C#N)c2)cccc1Oc1ccc(C#N)c(C#N)c1 ZINC000000787737 212180872 /nfs/dbraw/zinc/18/08/72/212180872.db2.gz WKOSSVDNTFCTPN-UHFFFAOYSA-N 0 0 376.375 5.066 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000815760 212184707 /nfs/dbraw/zinc/18/47/07/212184707.db2.gz GXATZACNKRJXHB-OSPHWJPCSA-N 0 0 386.520 6.036 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(O)c(O)c1 ZINC000000754928 212178888 /nfs/dbraw/zinc/17/88/88/212178888.db2.gz PGVDUACKRTUDIA-DEOSSOPVSA-N 0 0 385.463 5.561 50 30 GKEARN CSc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000687253 212175852 /nfs/dbraw/zinc/17/58/52/212175852.db2.gz FEDZVYHOFKSNNL-UHFFFAOYSA-N 0 0 395.568 5.382 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccc3ccccc3c12 ZINC000000759560 212179657 /nfs/dbraw/zinc/17/96/57/212179657.db2.gz QWNICSBLSSKMIE-QHCPKHFHSA-N 0 0 393.408 6.532 50 30 GKEARN CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@@H](C(C)(C)C)CC2 ZINC000000663622 212171312 /nfs/dbraw/zinc/17/13/12/212171312.db2.gz KPYTWUSAFCDGHG-AWEZNQCLSA-N 0 0 384.570 5.514 50 30 GKEARN Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000000703377 212175391 /nfs/dbraw/zinc/17/53/91/212175391.db2.gz AWAVUXZTOZFZLY-HNNXBMFYSA-N 0 0 382.529 5.194 50 30 GKEARN COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000000695528 212175422 /nfs/dbraw/zinc/17/54/22/212175422.db2.gz FJGZKGLFCAIYJE-INIZCTEOSA-N 0 0 396.556 5.351 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000000631700 212167406 /nfs/dbraw/zinc/16/74/06/212167406.db2.gz YQHVKMOMQHWQOV-UHFFFAOYSA-N 0 0 379.818 5.349 50 30 GKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000630828 212166925 /nfs/dbraw/zinc/16/69/25/212166925.db2.gz FKEJPUCYCPOZMU-SIBVEZHUSA-N 0 0 396.490 5.675 50 30 GKEARN N#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000000645011 212168501 /nfs/dbraw/zinc/16/85/01/212168501.db2.gz IFUHFSNYZLIJMR-UHFFFAOYSA-N 0 0 390.748 5.743 50 30 GKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000630832 212167456 /nfs/dbraw/zinc/16/74/56/212167456.db2.gz FKEJPUCYCPOZMU-AFMDSPMNSA-N 0 0 396.490 5.675 50 30 GKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009015464 212162290 /nfs/dbraw/zinc/16/22/90/212162290.db2.gz RXPURMIEELWNNR-IBGZPJMESA-N 0 0 383.875 5.027 50 30 GKEARN N#Cc1ccc(/C=C\C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000096316138 212156589 /nfs/dbraw/zinc/15/65/89/212156589.db2.gz JMDDMLQOCOIUBN-VPLQDYMCSA-N 0 0 384.401 5.344 50 30 GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000005219550 212146938 /nfs/dbraw/zinc/14/69/38/212146938.db2.gz DZGUCGVRPHBUSU-ODLFYWEKSA-N 0 0 385.257 5.410 50 30 GKEARN C=C1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]12 ZINC000257347968 212140414 /nfs/dbraw/zinc/14/04/14/212140414.db2.gz ACOZANUSWBYJDV-GUPJUSNISA-N 0 0 388.548 5.059 50 30 GKEARN C=CCn1c(SCc2cccc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000002264106 212102095 /nfs/dbraw/zinc/10/20/95/212102095.db2.gz GZWWDWLENBAKNM-UHFFFAOYSA-N 0 0 392.549 5.706 50 30 GKEARN C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccc(OC)cc1 ZINC000002107643 212102184 /nfs/dbraw/zinc/10/21/84/212102184.db2.gz YRGGHHJUEBPGNT-QHCPKHFHSA-N 0 0 388.894 6.692 50 30 biogenic GKEARN Cc1ccc(Cl)cc1/N=C/c1ccc(/C=N/c2cc(Cl)ccc2C)cc1 ZINC000002162016 212101867 /nfs/dbraw/zinc/10/18/67/212101867.db2.gz RGZJKAWVLJWUBF-BKHCZYBLSA-N 0 0 381.306 7.111 50 30 GKEARN C=CCn1c(SCc2ccccc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 ZINC000002372320 212101972 /nfs/dbraw/zinc/10/19/72/212101972.db2.gz JILNCQRSXPRIOQ-UHFFFAOYSA-N 0 0 388.536 5.222 50 30 GKEARN C=C(C)CSc1nc(-c2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002357481 212101747 /nfs/dbraw/zinc/10/17/47/212101747.db2.gz FAINBRVRQUITGR-UHFFFAOYSA-N 0 0 382.554 5.878 50 30 GKEARN C=CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000002361617 212101543 /nfs/dbraw/zinc/10/15/43/212101543.db2.gz FFUIHBRBSLNTHU-UHFFFAOYSA-N 0 0 388.492 5.583 50 30 GKEARN C#CCOc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000002363018 212101224 /nfs/dbraw/zinc/10/12/24/212101224.db2.gz ZCHOGNRPQPHRCS-UHFFFAOYSA-N 0 0 385.854 5.706 50 30 GKEARN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1 ZINC000002055697 212101229 /nfs/dbraw/zinc/10/12/29/212101229.db2.gz GJBRENOBLVCWNH-UHFFFAOYSA-N 0 0 396.493 6.811 50 30 GKEARN CCOC(=O)[C@@H](C#N)C(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000000640734 212099587 /nfs/dbraw/zinc/09/95/87/212099587.db2.gz RRDOGGURDLJRMR-DEOSSOPVSA-N 0 0 379.459 5.828 50 30 GKEARN C=C(C)Cn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCC3 ZINC000002318444 212100935 /nfs/dbraw/zinc/10/09/35/212100935.db2.gz BYGHDQXCRHSDNI-UHFFFAOYSA-N 0 0 396.581 5.432 50 30 GKEARN C=C[C@H](c1ccccc1)N(Sc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000704353 212100147 /nfs/dbraw/zinc/10/01/47/212100147.db2.gz UHFCQLTVBNPPMG-OAQYLSRUSA-N 0 0 386.476 5.134 50 30 GKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000001197940 212100097 /nfs/dbraw/zinc/10/00/97/212100097.db2.gz LALIEXGVNFNIII-DHDCSXOGSA-N 0 0 396.320 5.641 50 30 GKEARN C=CCn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000005535888 212080695 /nfs/dbraw/zinc/08/06/95/212080695.db2.gz OQMBFLMDISONKL-OAHLLOKOSA-N 0 0 382.316 5.042 50 30 GKEARN Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2Br)c(F)c1F ZINC000101019927 212078624 /nfs/dbraw/zinc/07/86/24/212078624.db2.gz YXLIKDGPYMCPCT-UHFFFAOYSA-N 0 0 395.018 5.368 50 30 GKEARN C=CCNc1cc(CSC)nc(SCc2ccc(Cl)cc2Cl)n1 ZINC000004013271 212078642 /nfs/dbraw/zinc/07/86/42/212078642.db2.gz HPOWEOXMXAMZDA-UHFFFAOYSA-N 0 0 386.373 5.537 50 30 GKEARN N#Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccc(Br)cc12 ZINC000000638313 212060163 /nfs/dbraw/zinc/06/01/63/212060163.db2.gz LZMWDEVDZBPZNL-UHFFFAOYSA-N 0 0 380.072 5.631 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257357501 212029588 /nfs/dbraw/zinc/02/95/88/212029588.db2.gz OJFSRAVBTAGBIM-ROAWWAPISA-N 0 0 386.664 7.629 50 30 GKEARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34O[C@@H]3C[C@H]3CCCC[C@@]3(C)[C@@H]4CC[C@@]21C ZINC000257349910 212029312 /nfs/dbraw/zinc/02/93/12/212029312.db2.gz SLVVDBKKWZJQDM-MDXWBNAUSA-N 0 0 398.675 7.651 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257355375 212030050 /nfs/dbraw/zinc/03/00/50/212030050.db2.gz AKTPAJMBVLOPJG-BNLVDJOFSA-N 0 0 386.664 7.485 50 30 GKEARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34O[C@@H]3C[C@H]3CCCC[C@]3(C)[C@H]4CC[C@@]21C ZINC000257349912 212029894 /nfs/dbraw/zinc/02/98/94/212029894.db2.gz SLVVDBKKWZJQDM-RFCWOZEASA-N 0 0 398.675 7.651 50 30 GKEARN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC ZINC000004628789 203754118 /nfs/dbraw/zinc/75/41/18/203754118.db2.gz IIDJQPZSIWETTM-WOJGMQOQSA-N 0 0 396.874 5.028 50 30 GKEARN C=C(C)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000005637491 203755484 /nfs/dbraw/zinc/75/54/84/203755484.db2.gz UWGNTIYRQDYFHU-UHFFFAOYSA-N 0 0 377.300 5.304 50 30 GKEARN C=C(C)Cn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000001817382 203778583 /nfs/dbraw/zinc/77/85/83/203778583.db2.gz KTAVYRNYCGIPAW-UHFFFAOYSA-N 0 0 380.557 5.355 50 30 biogenic GKEARN N#C[C@@]1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000629039 203842383 /nfs/dbraw/zinc/84/23/83/203842383.db2.gz XAOLJOPFKCXITG-DEOSSOPVSA-N 0 0 384.866 5.428 50 30 aggregator GKEARN O=C1c2ccc(OCc3ccc(Cl)cc3Cl)cc2O/C1=C\c1ccncc1 ZINC000005180516 203824968 /nfs/dbraw/zinc/82/49/68/203824968.db2.gz XGRMDGPUXRTMFI-UKWGHVSLSA-N 0 0 398.245 5.584 50 30 GKEARN N#Cc1ccccc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000671317 203847769 /nfs/dbraw/zinc/84/77/69/203847769.db2.gz YRBSULBARPORAC-UHFFFAOYSA-N 0 0 380.476 5.370 50 30 GKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000796457 203855141 /nfs/dbraw/zinc/85/51/41/203855141.db2.gz FXBPFRDRRMKPKU-QHCPKHFHSA-N 0 0 392.499 5.240 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000000843042 203857944 /nfs/dbraw/zinc/85/79/44/203857944.db2.gz MMIFIABVYLHZRG-ZDLGFXPLSA-N 0 0 383.812 5.838 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000000883422 203862185 /nfs/dbraw/zinc/86/21/85/203862185.db2.gz DWQCXGIDZWLKIY-LRTDBIEQSA-N 0 0 378.522 5.789 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C[C@H]2c1ccsc1 ZINC000001076733 203880446 /nfs/dbraw/zinc/88/04/46/203880446.db2.gz ZBTRYELVWFTJFI-INIZCTEOSA-N 0 0 385.916 5.565 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)O1 ZINC000001390827 203905605 /nfs/dbraw/zinc/90/56/05/203905605.db2.gz KIZZGYPNLVSPQY-RHSMWYFYSA-N 0 0 387.262 5.425 50 30 GKEARN CCCOc1ccc(-c2nc3ccccc3c(Oc3ccc(C#N)cc3)n2)cc1 ZINC000001743498 203918686 /nfs/dbraw/zinc/91/86/86/203918686.db2.gz KNDBCFLZLFLTFX-UHFFFAOYSA-N 0 0 381.435 5.750 50 30 GKEARN Cc1oc2c(c1C(=O)Oc1cccc(C(F)(F)F)c1)c(F)c(F)c(F)c2F ZINC000002153818 203928501 /nfs/dbraw/zinc/92/85/01/203928501.db2.gz QPSJUSIRZROWQE-UHFFFAOYSA-N 0 0 392.226 5.536 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)cc1 ZINC000002305921 203935938 /nfs/dbraw/zinc/93/59/38/203935938.db2.gz BUNDVYAZXGGGAU-DEOSSOPVSA-N 0 0 387.910 6.803 50 30 GKEARN CC(C)(C)c1ccc(CSc2nc3c(c(-c4ccccc4)c2C#N)CCC3)cc1 ZINC000002346396 203939296 /nfs/dbraw/zinc/93/92/96/203939296.db2.gz VCVNGVDWNCTDKU-UHFFFAOYSA-N 0 0 398.575 6.699 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000002741354 203959335 /nfs/dbraw/zinc/95/93/35/203959335.db2.gz YFSCPENUVKXPHG-QGZVFWFLSA-N 0 0 394.584 6.321 50 30 GKEARN CCOC(=O)c1c(CC(=O)C=Cc2ccc(C(C)C)cc2)sc2c1CCCC2 ZINC000002902780 203973116 /nfs/dbraw/zinc/97/31/16/203973116.db2.gz VHUUYHWEOYAMTA-SDNWHVSQSA-N 0 0 396.552 5.752 50 30 GKEARN C(=N/c1ccc(Sc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 ZINC000003067699 203984772 /nfs/dbraw/zinc/98/47/72/203984772.db2.gz FHSJCKYAXMJVKF-MKYUKRCKSA-N 0 0 392.527 7.339 50 30 GKEARN CCOc1nc(-c2ccc(Br)cc2)cc(-c2ccc(C)cc2)c1C#N ZINC000002585128 203951322 /nfs/dbraw/zinc/95/13/22/203951322.db2.gz YQEYUNOHYUDODZ-UHFFFAOYSA-N 0 0 393.284 5.757 50 30 GKEARN O=C1[C@H](Cc2ccccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 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O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004973595 204098704 /nfs/dbraw/zinc/09/87/04/204098704.db2.gz ZTSCBIDDEVDIAB-PSLXWICFSA-N 0 0 390.870 5.913 50 30 GKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000004973591 204099000 /nfs/dbraw/zinc/09/90/00/204099000.db2.gz UMIYXWUXIGYUBO-GKVSMKOHSA-N 0 0 399.494 5.325 50 30 GKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005048588 204107672 /nfs/dbraw/zinc/10/76/72/204107672.db2.gz FGEITZJIKFDCDH-CSKARUKUSA-N 0 0 384.266 5.337 50 30 GKEARN O=C(/C=C/c1ccccc1Br)c1ccc2c(c1)-c1ccccc1C2 ZINC000006049149 204162237 /nfs/dbraw/zinc/16/22/37/204162237.db2.gz IMRAIRWKLDMYJK-VAWYXSNFSA-N 0 0 375.265 5.916 50 30 GKEARN Cc1ccc(C(=O)OCc2c(C#N)oc3ccc(Br)cc32)cc1C ZINC000006051821 204162518 /nfs/dbraw/zinc/16/25/18/204162518.db2.gz FCACATMWAJLWIP-UHFFFAOYSA-N 0 0 384.229 5.041 50 30 GKEARN CC1=C[C@@H]2C(C)(C)CC(=O)C[C@]2(C)C[C@H]1COc1ccc2c(c1)CC(=O)C=C2 ZINC000005427229 204131803 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CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000006820417 204212534 /nfs/dbraw/zinc/21/25/34/204212534.db2.gz KGFOCYOQBRGEIA-YOEHRIQHSA-N 0 0 397.927 5.066 50 30 GKEARN COc1ccccc1C=C1SC(=Nc2ccc(Br)cc2)NC1=O ZINC000006848924 204215321 /nfs/dbraw/zinc/21/53/21/204215321.db2.gz IPAHYIFOKCTGIF-GDNBJRDFSA-N 0 0 389.274 5.190 50 30 GKEARN CC(=Cc1ccccc1)C=C1SC(=Nc2ccccc2Br)NC1=O ZINC000006261734 204172683 /nfs/dbraw/zinc/17/26/83/204172683.db2.gz IFZGFQFNJFOUNU-YMGXUNRSSA-N 0 0 399.313 6.127 50 30 GKEARN COc1ccc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006732373 204196566 /nfs/dbraw/zinc/19/65/66/204196566.db2.gz LNXJZFDOUAXNAO-DEOSSOPVSA-N 0 0 383.491 6.158 50 30 GKEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000007778928 204250007 /nfs/dbraw/zinc/25/00/07/204250007.db2.gz WPBKMVJRJAYBEG-UHFFFAOYSA-N 0 0 391.477 5.159 50 30 GKEARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CSCc3ccc(C#N)cc3)nc(=O)c12 ZINC000007809598 204251668 /nfs/dbraw/zinc/25/16/68/204251668.db2.gz 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N#Cc1ccc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 ZINC000012644897 204434396 /nfs/dbraw/zinc/43/43/96/204434396.db2.gz GGIBFVNTPXQUHT-UHFFFAOYSA-N 0 0 379.535 6.031 50 30 GKEARN C=CCSc1ncnc2c3c(nc(-c4ccccc4)c4c3CCC4)sc21 ZINC000002374437 209170931 /nfs/dbraw/zinc/17/09/31/209170931.db2.gz JPGSGUTXUYBWGY-UHFFFAOYSA-N 0 0 375.522 5.673 50 30 GKEARN O=C(Nc1ccccc1C#Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002493461 209170386 /nfs/dbraw/zinc/17/03/86/209170386.db2.gz SNPCMXINWHDDEZ-UHFFFAOYSA-N 0 0 387.482 5.857 50 30 GKEARN C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002066430 209169247 /nfs/dbraw/zinc/16/92/47/209169247.db2.gz LTVRMYOBGSFANV-AWEZNQCLSA-N 0 0 390.618 5.687 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccs1 ZINC000001077445 209169057 /nfs/dbraw/zinc/16/90/57/209169057.db2.gz QCMNHXSZWHZNPX-UHFFFAOYSA-N 0 0 382.341 5.792 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)N=C1c1ccccc1 ZINC000001036401 209168699 /nfs/dbraw/zinc/16/86/99/209168699.db2.gz PTGPAMCPDQMAMA-HKOYGPOVSA-N 0 0 394.474 5.082 50 30 GKEARN C=CCN(C[C@@H](O)CN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000002083433 209168755 /nfs/dbraw/zinc/16/87/55/209168755.db2.gz BALXTILGWDXKMW-HXUWFJFHSA-N 0 0 388.536 5.343 50 30 biogenic GKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2 ZINC000002115838 209168213 /nfs/dbraw/zinc/16/82/13/209168213.db2.gz NMBQLMMTWGLWGL-UHFFFAOYSA-N 0 0 388.536 5.070 50 30 GKEARN C=CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1Br ZINC000008427688 209161622 /nfs/dbraw/zinc/16/16/22/209161622.db2.gz MQHWRQGVPLPBLF-ZSOIEALJSA-N 0 0 390.664 5.160 50 30 GKEARN O=C1[C@@H](Cc2ccc(Cl)cc2)S/C(=N\c2nccs2)N1c1ccccc1 ZINC000016037603 204589346 /nfs/dbraw/zinc/58/93/46/204589346.db2.gz AOKYARRTQMQBMG-BWORXHKJSA-N 0 0 399.928 5.175 50 30 GKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1 ZINC000019827884 204687972 /nfs/dbraw/zinc/68/79/72/204687972.db2.gz DRUWDULJKBQQKB-UHFFFAOYSA-N 0 0 399.494 5.059 50 30 GKEARN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000036333338 205011218 /nfs/dbraw/zinc/01/12/18/205011218.db2.gz BHMPPGABHNXMRI-CQSZACIVSA-N 0 0 394.446 5.479 50 30 GKEARN N#Cc1cccc(CSc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000036349473 205012863 /nfs/dbraw/zinc/01/28/63/205012863.db2.gz USOUQRPRUNLLIY-UHFFFAOYSA-N 0 0 395.487 6.100 50 30 GKEARN C=CCOc1cccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c1 ZINC000004660136 209141162 /nfs/dbraw/zinc/14/11/62/209141162.db2.gz DIMHTAWAUASSCM-UHFFFAOYSA-N 0 0 378.475 6.394 50 30 GKEARN N#Cc1cccc(CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1 ZINC000055104123 205142601 /nfs/dbraw/zinc/14/26/01/205142601.db2.gz WGWMWIHIKMHUPL-UHFFFAOYSA-N 0 0 388.540 5.538 50 30 GKEARN N#Cc1ccccc1-c1ccc(-c2c(-c3ccccc3)ncn2[C@H]2CCOC2)o1 ZINC000065526193 205236077 /nfs/dbraw/zinc/23/60/77/205236077.db2.gz JVBJRCVUXHNXKG-IBGZPJMESA-N 0 0 381.435 5.310 50 30 GKEARN N#Cc1c(Cl)nsc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000070040637 205278148 /nfs/dbraw/zinc/27/81/48/205278148.db2.gz WEHAOLAEKVMWEY-UHFFFAOYSA-N 0 0 395.340 5.315 50 30 GKEARN O=C1c2ccccc2SC1=CNc1ccccc1-c1nc2ccccc2c(=O)o1 ZINC000100926878 205613152 /nfs/dbraw/zinc/61/31/52/205613152.db2.gz ASTXSGGIULTKBN-MOSHPQCFSA-N 0 0 398.443 5.097 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 ZINC000001506421 205713803 /nfs/dbraw/zinc/71/38/03/205713803.db2.gz VBZYHTWFRMIKFD-UHFFFAOYSA-N 0 0 397.459 5.726 50 30 GKEARN C[C@@H](c1ccccc1)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000007251655 205784703 /nfs/dbraw/zinc/78/47/03/205784703.db2.gz ADAMMVZLPADFIV-KRWDZBQOSA-N 0 0 397.503 5.170 50 30 GKEARN CC(=O)Nc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000007716112 205790986 /nfs/dbraw/zinc/79/09/86/205790986.db2.gz KPUREGAKUFNHBR-XBXARRHUSA-N 0 0 384.229 5.050 50 30 GKEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000004033570 211680070 /nfs/dbraw/zinc/68/00/70/211680070.db2.gz DTURNQQIQQAKIY-INIZCTEOSA-N 0 0 379.891 5.095 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000004507221 206227063 /nfs/dbraw/zinc/22/70/63/206227063.db2.gz KREXMQMHTXSADE-UHFFFAOYSA-N 0 0 384.479 6.676 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@H](c1c(C)cc(C)cc1C)Nc1ccccc1-2 ZINC000004755057 206227116 /nfs/dbraw/zinc/22/71/16/206227116.db2.gz FRKZEQZVBVUWJN-HXUWFJFHSA-N 0 0 390.512 5.245 50 30 GKEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000004033343 206227323 /nfs/dbraw/zinc/22/73/23/206227323.db2.gz KCGKZUIRFDINTB-HNNXBMFYSA-N 0 0 399.416 5.152 50 30 GKEARN C=C(C)C(=O)Oc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1C ZINC000101147723 206227408 /nfs/dbraw/zinc/22/74/08/206227408.db2.gz NLSOMFRHHRRNDW-JQRDNDPDSA-N 0 0 384.439 7.307 50 30 GKEARN CCCCCC1CCC(c2ccc(C#Cc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000004592165 206227493 /nfs/dbraw/zinc/22/74/93/206227493.db2.gz LCEJZSKUNJZYTO-UHFFFAOYSA-N 0 0 396.521 7.542 50 30 GKEARN C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004281982 206227501 /nfs/dbraw/zinc/22/75/01/206227501.db2.gz RMEPKQWWVDQZPC-AZGAKELHSA-N 0 0 396.490 5.802 50 30 GKEARN C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000004739943 206227691 /nfs/dbraw/zinc/22/76/91/206227691.db2.gz YXSUIUWWHYVMFX-DEOSSOPVSA-N 0 0 382.438 5.705 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000012194169 206245788 /nfs/dbraw/zinc/24/57/88/206245788.db2.gz AWANRNLPVLXUCH-AOYPEHQESA-N 0 0 396.490 5.802 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000013976523 206246619 /nfs/dbraw/zinc/24/66/19/206246619.db2.gz SKJHALSNYVENCQ-XNTDXEJSSA-N 0 0 395.427 5.353 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000005608051 206229282 /nfs/dbraw/zinc/22/92/82/206229282.db2.gz QJXRTFUPLSQFDD-AWEZNQCLSA-N 0 0 382.554 5.240 50 30 GKEARN C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3C2CCCCC2)cc1 ZINC000005477596 206229414 /nfs/dbraw/zinc/22/94/14/206229414.db2.gz DJPOFNXKCQOATH-OAQYLSRUSA-N 0 0 397.544 5.036 50 30 GKEARN C=C1[C@H](C(=O)Nc2cccc3ccccc32)[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000001462539 206248103 /nfs/dbraw/zinc/24/81/03/206248103.db2.gz NRVBVXXCCOBZLH-ZEQRLZLVSA-N 0 0 392.458 5.372 50 30 GKEARN COc1ccc(CN(Cc2ccco2)c2oc(-c3ccccc3)nc2C#N)cc1 ZINC000170623740 211663861 /nfs/dbraw/zinc/66/38/61/211663861.db2.gz OJDVAAWTIRYXMX-UHFFFAOYSA-N 0 0 385.423 5.022 50 30 GKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@H](C)CC3 ZINC000002314925 206250028 /nfs/dbraw/zinc/25/00/28/206250028.db2.gz KSTBRDRVYYXSNC-CQSZACIVSA-N 0 0 382.554 5.061 50 30 GKEARN C=C(C)COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000002423536 206291964 /nfs/dbraw/zinc/29/19/64/206291964.db2.gz XSBDZJWZWKAEBN-UHFFFAOYSA-N 0 0 387.229 5.303 50 30 GKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O ZINC000002097112 206292055 /nfs/dbraw/zinc/29/20/55/206292055.db2.gz UQSNFABSTCLOKT-ORSAQNTLSA-N 0 0 384.431 5.447 50 30 biogenic GKEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000005390086 206293375 /nfs/dbraw/zinc/29/33/75/206293375.db2.gz XMPHCYBJGYJAIU-MFOYZWKCSA-N 0 0 377.223 5.171 50 30 GKEARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@H](C)C#N)cc1 ZINC000006841268 206294345 /nfs/dbraw/zinc/29/43/45/206294345.db2.gz JQKFEGYITFLGMZ-VYVDHXHBSA-N 0 0 389.524 5.507 50 30 GKEARN N#Cc1ccc(/C=C\C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000096316137 206300159 /nfs/dbraw/zinc/30/01/59/206300159.db2.gz JMDDMLQOCOIUBN-LOJRPPCJSA-N 0 0 384.401 5.344 50 30 GKEARN COc1nc(-c2ccc(Br)cc2)cc(-c2ccc(C)cc2)c1C#N ZINC000000624316 206308043 /nfs/dbraw/zinc/30/80/43/206308043.db2.gz UULJDDXHPQIXSM-UHFFFAOYSA-N 0 0 379.257 5.367 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc2c(c1)OCO2 ZINC000000647653 206312208 /nfs/dbraw/zinc/31/22/08/206312208.db2.gz OSSYWOWQEYISMM-HSZRJFAPSA-N 0 0 397.474 5.769 50 30 GKEARN COc1cc(OC)c(/C=N/c2ccc(Cl)c(Cl)c2)cc1Br ZINC000000668352 206314426 /nfs/dbraw/zinc/31/44/26/206314426.db2.gz XZMZHADFIZNEDW-UFWORHAWSA-N 0 0 389.076 5.524 50 30 GKEARN CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@H](C(C)(C)C)CC2 ZINC000000663621 206314554 /nfs/dbraw/zinc/31/45/54/206314554.db2.gz KPYTWUSAFCDGHG-CQSZACIVSA-N 0 0 384.570 5.514 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000674183 206315743 /nfs/dbraw/zinc/31/57/43/206315743.db2.gz QLGXYOQYBOCYLS-NRFANRHFSA-N 0 0 377.444 5.125 50 30 GKEARN COc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3ccccc3n2)cc1 ZINC000000679095 206315850 /nfs/dbraw/zinc/31/58/50/206315850.db2.gz YCWFJVBLQWRRAP-UHFFFAOYSA-N 0 0 380.403 5.001 50 30 GKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000689375 206316233 /nfs/dbraw/zinc/31/62/33/206316233.db2.gz FVLVFJOFMANKTB-QFIPXVFZSA-N 0 0 378.472 5.013 50 30 GKEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3OC)sc2C1 ZINC000000689169 206316332 /nfs/dbraw/zinc/31/63/32/206316332.db2.gz UPWQZLRFXCILEU-LBPRGKRZSA-N 0 0 388.920 5.439 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 ZINC000000687044 206316810 /nfs/dbraw/zinc/31/68/10/206316810.db2.gz CSFSKNMOYYRLSG-SNVBAGLBSA-N 0 0 395.311 5.069 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000709504 206317881 /nfs/dbraw/zinc/31/78/81/206317881.db2.gz ANMLZPLSKAQSBD-FNZWTVRRSA-N 0 0 380.491 5.975 50 30 GKEARN Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000709531 206317934 /nfs/dbraw/zinc/31/79/34/206317934.db2.gz GJZHLJMWIVFNSU-AFMDSPMNSA-N 0 0 380.491 5.975 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 ZINC000000695802 206318321 /nfs/dbraw/zinc/31/83/21/206318321.db2.gz ZNKOYPSJHONJJY-MRVPVSSYSA-N 0 0 379.740 5.079 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000815794 206323961 /nfs/dbraw/zinc/32/39/61/206323961.db2.gz NPWLIISVSZVNHR-WNSKOXEYSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1ccccc1/N=C1\S[C@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000855922 206327770 /nfs/dbraw/zinc/32/77/70/206327770.db2.gz APVRCLTWNMVBFB-DIPZADQQSA-N 0 0 394.327 5.959 50 30 GKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000861125 206328885 /nfs/dbraw/zinc/32/88/85/206328885.db2.gz GVMNFIUECYQYIJ-QHCPKHFHSA-N 0 0 392.499 5.316 50 30 GKEARN CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000870003 206330301 /nfs/dbraw/zinc/33/03/01/206330301.db2.gz ZEJIQAJFGGTIPK-AREMUKBSSA-N 0 0 396.534 6.668 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccco3)C12 ZINC000009110471 206306110 /nfs/dbraw/zinc/30/61/10/206306110.db2.gz DJCDGSVNDVIMCJ-MWTRTKDXSA-N 0 0 381.435 5.045 50 30 GKEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000000984248 206338397 /nfs/dbraw/zinc/33/83/97/206338397.db2.gz UQKUMXHJHSSGAI-MRXNPFEDSA-N 0 0 377.658 5.667 50 30 GKEARN COc1ccc(-c2c3c(nc4c(C#N)c(C)n(-c5ccccc5)c42)CCC3)cc1 ZINC000000977920 206338613 /nfs/dbraw/zinc/33/86/13/206338613.db2.gz QQNMAYIOHIBRID-UHFFFAOYSA-N 0 0 379.463 5.370 50 30 GKEARN Cc1ccc2sc(-c3ccc(NC=C4C(=O)CC(C)(C)CC4=O)cc3)nc2c1 ZINC000000999651 206341209 /nfs/dbraw/zinc/34/12/09/206341209.db2.gz IPUUALIXNMBAKA-UHFFFAOYSA-N 0 0 390.508 5.526 50 30 GKEARN Cc1c(C#N)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc1C(=O)OC(C)C ZINC000000997000 206341242 /nfs/dbraw/zinc/34/12/42/206341242.db2.gz XFAWBOMLZBKDQQ-DHZHZOJOSA-N 0 0 396.512 5.269 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1[N+](=O)[O-] ZINC000001022977 206341655 /nfs/dbraw/zinc/34/16/55/206341655.db2.gz QYIAPRQSCIVHLK-DEOSSOPVSA-N 0 0 398.462 6.058 50 30 GKEARN CC(C)c1ccc(/N=C/c2cc(Br)ccc2O)c(Br)c1 ZINC000001024775 206342333 /nfs/dbraw/zinc/34/23/33/206342333.db2.gz OVVRZRMXWIDIKO-DJKKODMXSA-N 0 0 397.110 5.791 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000001022976 206342432 /nfs/dbraw/zinc/34/24/32/206342432.db2.gz QYIAPRQSCIVHLK-XMMPIXPASA-N 0 0 398.462 6.058 50 30 GKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC1=CC(=O)CC(C)(C)C1 ZINC000001045868 206345643 /nfs/dbraw/zinc/34/56/43/206345643.db2.gz NJJMZFIVTQTGDW-UHFFFAOYSA-N 0 0 394.254 5.387 50 30 GKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CC(C)(C)C ZINC000001049236 206346249 /nfs/dbraw/zinc/34/62/49/206346249.db2.gz POBGAEZFYPKFMI-KRWDZBQOSA-N 0 0 389.326 6.332 50 30 GKEARN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000001059415 206346636 /nfs/dbraw/zinc/34/66/36/206346636.db2.gz OSFZQNVLAMMVOQ-GMJSKMFWSA-N 0 0 382.529 5.539 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 ZINC000001066424 206348112 /nfs/dbraw/zinc/34/81/12/206348112.db2.gz FOFOYQPHUBDCMX-BXKMTCNYSA-N 0 0 386.520 6.036 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccccc1C(F)(F)F ZINC000001075753 206350264 /nfs/dbraw/zinc/35/02/64/206350264.db2.gz YYNPTMHJULESLX-LBPRGKRZSA-N 0 0 391.414 5.295 50 30 GKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(C)=Nc2nc3ccccc3n21 ZINC000001080702 206350536 /nfs/dbraw/zinc/35/05/36/206350536.db2.gz PSKAORLAFSLYAZ-HSZRJFAPSA-N 0 0 395.462 5.217 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001080483 206350577 /nfs/dbraw/zinc/35/05/77/206350577.db2.gz IQRDANKRWOULMV-HNNXBMFYSA-N 0 0 391.414 5.295 50 30 GKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000001080503 206351395 /nfs/dbraw/zinc/35/13/95/206351395.db2.gz NSEBWRAIRNVQTO-QHCPKHFHSA-N 0 0 395.462 5.217 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001102349 206352705 /nfs/dbraw/zinc/35/27/05/206352705.db2.gz PRDXGRWAMLLMHF-QHCPKHFHSA-N 0 0 399.450 5.453 50 30 GKEARN N#Cc1c2ccc(OCc3ccc(Br)cc3)cc2n2ccccc12 ZINC000001403759 206379781 /nfs/dbraw/zinc/37/97/81/206379781.db2.gz SRLPSAQLTPCFTO-UHFFFAOYSA-N 0 0 377.241 5.306 50 30 GKEARN CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000001428693 206380376 /nfs/dbraw/zinc/38/03/76/206380376.db2.gz QCPDUQHPYMRXQM-JOCHJYFZSA-N 0 0 392.499 5.316 50 30 GKEARN N#Cc1cc(Oc2ccc3ccccc3c2)c(-n2nnc3ccccc32)cc1C#N ZINC000001443160 206381730 /nfs/dbraw/zinc/38/17/30/206381730.db2.gz XLTNAIOXUGRQAI-UHFFFAOYSA-N 0 0 387.402 5.109 50 30 aggregator GKEARN COc1ccc(/N=C/c2cc(Cl)cc(Br)c2[O-])cc1Cl ZINC000001433901 206381870 /nfs/dbraw/zinc/38/18/70/206381870.db2.gz BSMLCJCCQBVIEJ-CNHKJKLMSA-N 0 0 375.049 5.221 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccc(Cl)cc1 ZINC000001471631 206385040 /nfs/dbraw/zinc/38/50/40/206385040.db2.gz CAWAMAXBKKLAKX-UHFFFAOYSA-N 0 0 394.805 6.178 50 30 GKEARN Brc1cccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1 ZINC000001233373 206369724 /nfs/dbraw/zinc/36/97/24/206369724.db2.gz PTFYBQQJDOJRDL-LPYMAVHISA-N 0 0 376.257 5.743 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000001951874 206395442 /nfs/dbraw/zinc/39/54/42/206395442.db2.gz XHQJPVMDJQUTMN-MFKUBSTISA-N 0 0 380.472 6.573 50 30 GKEARN CC(C)=C[C@H]1[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000001997866 206396310 /nfs/dbraw/zinc/39/63/10/206396310.db2.gz FJDPATXIBIBRIM-FDFHNCONSA-N 0 0 375.468 5.825 50 30 in-man GKEARN CCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCC)cc2)cc1 ZINC000002052720 206396436 /nfs/dbraw/zinc/39/64/36/206396436.db2.gz PGDFHHWDEYAULU-FNCQTZNRSA-N 0 0 378.512 6.340 50 30 GKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC(C)C)n2)cc1 ZINC000002073107 206396684 /nfs/dbraw/zinc/39/66/84/206396684.db2.gz YXLMSSJYVKEMHO-UHFFFAOYSA-N 0 0 394.927 6.450 50 30 GKEARN N#Cc1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCCC2 ZINC000002084460 206398523 /nfs/dbraw/zinc/39/85/23/206398523.db2.gz RUWJXJOZGLFZSL-UHFFFAOYSA-N 0 0 380.847 5.463 50 30 GKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccccc2C)C12CCCC2 ZINC000002217647 206402988 /nfs/dbraw/zinc/40/29/88/206402988.db2.gz WGBFVZLQJWAHIP-LVWGJNHUSA-N 0 0 391.584 6.448 50 30 GKEARN Cc1cc(C)c([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(C)c1 ZINC000002225889 206403232 /nfs/dbraw/zinc/40/32/32/206403232.db2.gz IRYJNMBNWJTBOD-VWLOTQADSA-N 0 0 383.516 6.478 50 30 GKEARN O=C1ON(c2ccccc2)[C@H](c2ccc(F)cc2)N1c1cccc2ccccc21 ZINC000002442000 206416552 /nfs/dbraw/zinc/41/65/52/206416552.db2.gz PBPXRXOSGOPOSH-HSZRJFAPSA-N 0 0 384.410 6.056 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Nc3ccccc3Cl)sc2C1 ZINC000002772905 206434826 /nfs/dbraw/zinc/43/48/26/206434826.db2.gz SDMNMICIKLXTAD-GFCCVEGCSA-N 0 0 387.936 6.068 50 30 GKEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002622335 206422440 /nfs/dbraw/zinc/42/24/40/206422440.db2.gz IPNAPLAENTZEOP-SFHVURJKSA-N 0 0 383.491 6.173 50 30 GKEARN Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000001912924 211512104 /nfs/dbraw/zinc/51/21/04/211512104.db2.gz YCVIPXFQMAGEOH-UHFFFAOYSA-N 0 0 392.527 6.888 50 30 GKEARN N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1Sc1cccc(Cl)c1 ZINC000004054061 206500459 /nfs/dbraw/zinc/50/04/59/206500459.db2.gz TULSIVHDYDXDOG-UHFFFAOYSA-N 0 0 390.817 6.444 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1 ZINC000004377869 206518701 /nfs/dbraw/zinc/51/87/01/206518701.db2.gz UYVFXNMGLBSIQO-UPVQGACJSA-N 0 0 388.438 5.298 50 30 GKEARN CCOc1ccc2ccc(OCC)c(C=NN=c3[nH]c4ccccc4s3)c2c1 ZINC000004544242 206527000 /nfs/dbraw/zinc/52/70/00/206527000.db2.gz LNZCESNITGGWKK-OEAKJJBVSA-N 0 0 391.496 5.693 50 30 GKEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000004704708 206544995 /nfs/dbraw/zinc/54/49/95/206544995.db2.gz RTEAXKKVOVJRJR-QNQNADBQSA-N 0 0 390.464 5.092 50 30 GKEARN Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)c(C#N)cc2c1 ZINC000000976906 211501917 /nfs/dbraw/zinc/50/19/17/211501917.db2.gz UNOFOUOUHATBCL-UHFFFAOYSA-N 0 0 381.888 5.108 50 30 GKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000004767628 206553772 /nfs/dbraw/zinc/55/37/72/206553772.db2.gz PDPDCOKNYBAZDU-OAQYLSRUSA-N 0 0 378.472 5.013 50 30 GKEARN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000004828797 206558607 /nfs/dbraw/zinc/55/86/07/206558607.db2.gz FZCNXMWRAHFUIZ-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN c1sc2ncnc(N=NCc3cccc4cccnc43)c2c1-c1ccccc1 ZINC000005574976 206619751 /nfs/dbraw/zinc/61/97/51/206619751.db2.gz MPOMNNVDGSTWGZ-RPPGKUMJSA-N 0 0 381.464 5.353 50 30 GKEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1cccs1)C1=C(CCCC1=O)N3 ZINC000102554185 211411468 /nfs/dbraw/zinc/41/14/68/211411468.db2.gz FHAOXABMCDWCJD-HNNXBMFYSA-N 0 0 392.509 5.334 50 30 GKEARN CN(C)c1ccc(/C=C/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 ZINC000100912845 211392647 /nfs/dbraw/zinc/39/26/47/211392647.db2.gz NTEJKIVCTIFADD-JKOOEIKCSA-N 0 0 397.434 6.153 50 30 GKEARN C[C@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc21)c1ccccc1 ZINC000100001948 211381459 /nfs/dbraw/zinc/38/14/59/211381459.db2.gz UXJFDYIHRJGPFS-CICSQNLLSA-N 0 0 394.474 5.787 50 30 in-vivo GKEARN CN(Cc1cccc(C#N)c1)C(=O)/C(=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000097026509 211354259 /nfs/dbraw/zinc/35/42/59/211354259.db2.gz UBGUDTOUEXWNLY-HAHDFKILSA-N 0 0 386.882 5.411 50 30 GKEARN O=C1ON(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 ZINC000006720877 206665590 /nfs/dbraw/zinc/66/55/90/206665590.db2.gz GXRWGKXANRJSCZ-FQEVSTJZSA-N 0 0 394.814 5.146 50 30 GKEARN Cc1ccc(C)c(N2CCN(C3=C(c4ccccc4)C(=O)c4ccccc43)CC2)c1 ZINC000006793694 206677549 /nfs/dbraw/zinc/67/75/49/206677549.db2.gz GPWAFIHUZYDQJD-UHFFFAOYSA-N 0 0 394.518 5.190 50 30 aggregator GKEARN N#Cc1cccc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)c1 ZINC000006993200 206697943 /nfs/dbraw/zinc/69/79/43/206697943.db2.gz DURWGHDEVGNNEU-UHFFFAOYSA-N 0 0 388.521 5.084 50 30 GKEARN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000008642647 206759218 /nfs/dbraw/zinc/75/92/18/206759218.db2.gz NQJNDERQZNNGKK-WELATPIXSA-N 0 0 396.943 6.277 50 30 GKEARN COc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 ZINC000008682764 206759427 /nfs/dbraw/zinc/75/94/27/206759427.db2.gz FZSLITOVSXECPA-UHFFFAOYSA-N 0 0 394.496 5.312 50 30 aggregator GKEARN COc1ccccc1[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000009166579 206776497 /nfs/dbraw/zinc/77/64/97/206776497.db2.gz IACICWUQROMYBH-MRXNPFEDSA-N 0 0 388.492 5.209 50 30 GKEARN CC(=O)O/N=C(\C)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000009886066 206803009 /nfs/dbraw/zinc/80/30/09/206803009.db2.gz NQRNQFVQINDGPA-BWPWHQNLSA-N 0 0 387.608 7.231 50 30 GKEARN N#Cc1ccc(-c2ccc(OCc3csc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000014845817 207029513 /nfs/dbraw/zinc/02/95/13/207029513.db2.gz BCAXBLBQCOIHEG-UHFFFAOYSA-N 0 0 386.451 6.067 50 30 GKEARN Cn1cc(/C=C2\CCC/C(=C\c3cn(C)c4ccccc34)C2=O)c2ccccc21 ZINC000039440257 210760935 /nfs/dbraw/zinc/76/09/35/210760935.db2.gz BDJFOWSLTLGZMH-JSAVKQRWSA-N 0 0 380.491 5.890 50 30 GKEARN O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000018179343 207094045 /nfs/dbraw/zinc/09/40/45/207094045.db2.gz YCLHWJHRABQPON-GAADFGEESA-N 0 0 390.533 5.595 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 ZINC000018196709 207095164 /nfs/dbraw/zinc/09/51/64/207095164.db2.gz MKYMRBSWXYCUIJ-GOSISDBHSA-N 0 0 388.250 5.287 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000018197403 207096107 /nfs/dbraw/zinc/09/61/07/207096107.db2.gz DYQLIISWKQHYPU-IBGZPJMESA-N 0 0 388.250 5.287 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)c1 ZINC000033027164 210616779 /nfs/dbraw/zinc/61/67/79/210616779.db2.gz GJFJWNXYDKAGDS-UHFFFAOYSA-N 0 0 391.471 5.238 50 30 GKEARN CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820538 207163906 /nfs/dbraw/zinc/16/39/06/207163906.db2.gz LDIAEYFBZZNVKE-UHFFFAOYSA-N 0 0 380.904 5.751 50 30 GKEARN C(/C=N/c1ccc(Nc2ccccc2)cc1)=N\c1ccc(Nc2ccccc2)cc1 ZINC000003091602 207334595 /nfs/dbraw/zinc/33/45/95/207334595.db2.gz YEOKNKWXQIHAFR-MKYUKRCKSA-N 0 0 390.490 7.279 50 30 GKEARN N#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)s2)C2CC2)cc1 ZINC000040069415 207338098 /nfs/dbraw/zinc/33/80/98/207338098.db2.gz YPJAVQFRUVBLKU-UHFFFAOYSA-N 0 0 392.911 5.745 50 30 GKEARN N#Cc1cccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)c1 ZINC000064872374 207816628 /nfs/dbraw/zinc/81/66/28/207816628.db2.gz NVJKSUAIWOQTRW-UHFFFAOYSA-N 0 0 387.439 5.469 50 30 GKEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000096346651 208310370 /nfs/dbraw/zinc/31/03/70/208310370.db2.gz ZTAYBSVDLKTBQJ-YADHBBJMSA-N 0 0 383.495 5.276 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097105043 208336288 /nfs/dbraw/zinc/33/62/88/208336288.db2.gz PPBRODYKQVLJPV-UTKZUKDTSA-N 0 0 386.850 5.107 50 30 GKEARN CCCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000100933612 208382909 /nfs/dbraw/zinc/38/29/09/208382909.db2.gz DKLHXIORQHAZCO-LVZFUZTISA-N 0 0 390.571 7.356 50 30 GKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc21 ZINC000000654810 208479569 /nfs/dbraw/zinc/47/95/69/208479569.db2.gz FALAEUJRLVTBHT-DEDYPNTBSA-N 0 0 391.471 5.357 50 30 GKEARN N#Cc1c(N)c2cc(Oc3ccccc3)ccc2nc1C(F)(F)C(F)(F)F ZINC000020064784 210313919 /nfs/dbraw/zinc/31/39/19/210313919.db2.gz DGDDOKUWCDFLSL-UHFFFAOYSA-N 0 0 379.288 5.135 50 30 GKEARN COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccccc2)c1C#N ZINC000019820822 210300690 /nfs/dbraw/zinc/30/06/90/210300690.db2.gz CLMDLNDXRNBDPD-UHFFFAOYSA-N 0 0 382.876 5.143 50 30 GKEARN CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820512 210300002 /nfs/dbraw/zinc/30/00/02/210300002.db2.gz GVHYDWCRVKHEJO-UHFFFAOYSA-N 0 0 387.295 5.788 50 30 GKEARN CCCCCCCCCCCCOCCOCCCCCCCCCCCC ZINC000101017989 208817173 /nfs/dbraw/zinc/81/71/73/208817173.db2.gz PISUYKADQNVTGH-UHFFFAOYSA-N 0 0 398.716 8.861 50 30 GKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1cccs1)CCCC2 ZINC000000753977 220457390 /nfs/dbraw/zinc/45/73/90/220457390.db2.gz PUJBNCYXAFJSCI-UHFFFAOYSA-N 0 0 390.533 5.536 50 30 GKEARN COc1ccc([C@H](CC#N)[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000984279 220472239 /nfs/dbraw/zinc/47/22/39/220472239.db2.gz MMKZAQPKWHJOGQ-LSDHHAIUSA-N 0 0 375.255 5.315 50 30 GKEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 ZINC000001411178 220495881 /nfs/dbraw/zinc/49/58/81/220495881.db2.gz ABJUHDKDTPJXPZ-IHCIQGKHSA-N 0 0 382.891 5.410 50 30 GKEARN CSc1nc(-c2ccccc2)nc(Nc2ccc(C(F)(F)F)cc2)c1C#N ZINC000002154328 220506626 /nfs/dbraw/zinc/50/66/26/220506626.db2.gz RJXSRYIAAXDNMK-UHFFFAOYSA-N 0 0 386.402 5.500 50 30 GKEARN C(N=Nc1ncnc2scc(-c3ccccc3)c21)=C1COc2ccccc2C1 ZINC000002344377 220523996 /nfs/dbraw/zinc/52/39/96/220523996.db2.gz QCHAUOTXTRVISY-OPEKNORGSA-N 0 0 384.464 5.232 50 30 GKEARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002740051 220557671 /nfs/dbraw/zinc/55/76/71/220557671.db2.gz OZAGHDQOTXPWIM-CYBMUJFWSA-N 0 0 388.920 5.257 50 30 GKEARN Cc1ccc2oc(-c3cccc(/N=C/C=C/c4ccc(Cl)cc4)c3C)nc2c1 ZINC000002894825 220581949 /nfs/dbraw/zinc/58/19/49/220581949.db2.gz WDQBWZINWFZRIU-UUQRUFKYSA-N 0 0 386.882 7.181 50 30 GKEARN Cc1cc(/C=N/c2ccc(Br)cc2)c(O)c(Br)c1C ZINC000003086926 220603837 /nfs/dbraw/zinc/60/38/37/220603837.db2.gz XBZYGNHNHNBWDX-QGMBQPNBSA-N 0 0 383.083 5.285 50 30 GKEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000003104509 220603893 /nfs/dbraw/zinc/60/38/93/220603893.db2.gz OLPDEGYYDCAYCK-UHFFFAOYSA-N 0 0 382.847 5.754 50 30 GKEARN Cc1c(C)c(C)c(CO/N=C(\c2ccccc2)c2ccc(Cl)cc2)c(C)c1C ZINC000003161710 220606464 /nfs/dbraw/zinc/60/64/64/220606464.db2.gz ACQFBLWSZWSIRC-IMVLJIQESA-N 0 0 391.942 6.851 50 30 GKEARN C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000003469642 220647489 /nfs/dbraw/zinc/64/74/89/220647489.db2.gz UFDCGKWYGHTSOK-UHFFFAOYSA-N 0 0 389.307 5.700 50 30 GKEARN N#CC(=NNc1cccc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004175463 220689583 /nfs/dbraw/zinc/68/95/83/220689583.db2.gz ILTHKBZCQVIZCE-PLRJNAJWSA-N 0 0 399.435 5.211 50 30 GKEARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccccc1C#N ZINC000004186069 220691156 /nfs/dbraw/zinc/69/11/56/220691156.db2.gz BYXXLNYPKYHSMU-UHFFFAOYSA-N 0 0 396.519 5.331 50 30 GKEARN CCOc1cccc2cc(/C(C)=N/NC(=S)Nc3c(C)cc(C)cc3C)oc21 ZINC000004668704 220744572 /nfs/dbraw/zinc/74/45/72/220744572.db2.gz XGCMOGDFOXVWFU-LFVJCYFKSA-N 0 0 395.528 5.467 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCc2ccccc2)c1CCC(C)C ZINC000004674594 220745431 /nfs/dbraw/zinc/74/54/31/220745431.db2.gz ICDYCGAKYMTNNP-UHFFFAOYSA-N 0 0 382.511 5.868 50 30 GKEARN Brc1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000004713870 220753098 /nfs/dbraw/zinc/75/30/98/220753098.db2.gz SXTJDDNMTXIPGE-RGVLZGJSSA-N 0 0 398.285 5.765 50 30 GKEARN N#Cc1c2c(sc1/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)CCCCC2 ZINC000004807409 220767802 /nfs/dbraw/zinc/76/78/02/220767802.db2.gz UVOBLNMRGPRIFM-OEAKJJBVSA-N 0 0 390.468 5.338 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1Cl ZINC000004817223 220769531 /nfs/dbraw/zinc/76/95/31/220769531.db2.gz AZWFYZHFDCGFFT-FQEVSTJZSA-N 0 0 387.310 6.215 50 30 GKEARN Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000004832918 220771681 /nfs/dbraw/zinc/77/16/81/220771681.db2.gz IDRPMEMPDBTVTR-TZIWHRDSSA-N 0 0 387.523 5.297 50 30 GKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)c1 ZINC000004973587 220802498 /nfs/dbraw/zinc/80/24/98/220802498.db2.gz QDEHNHMNTGVEFI-BVZFJXPGSA-N 0 0 397.478 5.070 50 30 GKEARN Cc1ccc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)o1 ZINC000005091668 220828559 /nfs/dbraw/zinc/82/85/59/220828559.db2.gz CFLBRKUCPQYQPK-IQGLISFBSA-N 0 0 384.479 5.876 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(F)cc1F ZINC000005129481 220832520 /nfs/dbraw/zinc/83/25/20/220832520.db2.gz XPANWPVQGUZCHQ-DEOSSOPVSA-N 0 0 389.445 6.428 50 30 GKEARN FC(F)(F)c1ccccc1NC(=S)NN=C1CCC(c2ccccc2)CC1 ZINC000005658163 220890467 /nfs/dbraw/zinc/89/04/67/220890467.db2.gz HEHUYKFQIGBZHR-UHFFFAOYSA-N 0 0 391.462 5.706 50 30 GKEARN CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000005791210 220899128 /nfs/dbraw/zinc/89/91/28/220899128.db2.gz AXNFSPPJHCLVRS-LSIOVLHASA-N 0 0 387.508 5.084 50 30 GKEARN COc1cc(C)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1C ZINC000242302079 209021217 /nfs/dbraw/zinc/02/12/17/209021217.db2.gz YPIXKTLLTFDZAF-UHFFFAOYSA-N 0 0 386.451 5.537 50 30 GKEARN CCc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccncc2)cc1 ZINC000006570443 220942780 /nfs/dbraw/zinc/94/27/80/220942780.db2.gz BNVQRKAYLOTZAH-UHFFFAOYSA-N 0 0 397.507 5.056 50 30 GKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3)c12 ZINC000008229821 221032387 /nfs/dbraw/zinc/03/23/87/221032387.db2.gz HCWGOQDYOSAZIE-JLHYYAGUSA-N 0 0 375.859 5.333 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCc4ccccc4)o3)o2)cc1 ZINC000008844491 221059961 /nfs/dbraw/zinc/05/99/61/221059961.db2.gz FIDLPLOQEWXUOB-UHFFFAOYSA-N 0 0 399.450 5.348 50 30 GKEARN CN(Cc1ccccc1)c1oc(-c2ccc(COc3ccccc3)o2)nc1C#N ZINC000012418884 221191154 /nfs/dbraw/zinc/19/11/54/221191154.db2.gz JTQAFCNJZUVGOG-UHFFFAOYSA-N 0 0 385.423 5.022 50 30 GKEARN N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(=O)c1cccs1 ZINC000012524282 221200909 /nfs/dbraw/zinc/20/09/09/221200909.db2.gz QRZOABPVBQBZQT-UHFFFAOYSA-N 0 0 382.535 5.596 50 30 GKEARN Cc1ccc(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000012946054 221248820 /nfs/dbraw/zinc/24/88/20/221248820.db2.gz RAJKYBNEGWVZIJ-RGEXLXHISA-N 0 0 384.391 5.468 50 30 GKEARN C[C@H]1CN=C(N(C(=S)Nc2ccccc2)c2cccc(C(F)(F)F)c2)S1 ZINC000013686654 221281291 /nfs/dbraw/zinc/28/12/91/221281291.db2.gz KNXUHOBQBZDZKL-LBPRGKRZSA-N 0 0 395.475 5.621 50 30 GKEARN N#Cc1cccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000014179061 221301957 /nfs/dbraw/zinc/30/19/57/221301957.db2.gz WOHCDLNCNMFNQV-ZSOIEALJSA-N 0 0 395.896 5.322 50 30 GKEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2ccc(F)cc2F)c1C#N ZINC000014073363 221296839 /nfs/dbraw/zinc/29/68/39/221296839.db2.gz WISFRNDBORHWGP-UHFFFAOYSA-N 0 0 389.471 5.101 50 30 GKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000015938274 221353042 /nfs/dbraw/zinc/35/30/42/221353042.db2.gz FNBHUQXPLKMGNM-ZHACJKMWSA-N 0 0 395.094 5.410 50 30 GKEARN O=C1[C@H](Cc2ccc(Cl)cc2)S/C(=N\c2nccs2)N1c1ccccc1 ZINC000016037602 221356012 /nfs/dbraw/zinc/35/60/12/221356012.db2.gz AOKYARRTQMQBMG-VFOOBRQFSA-N 0 0 399.928 5.175 50 30 GKEARN Cc1ccccc1NC1=NC(=S)N(c2ccccc2)[C@@]12CCOC(C)(C)C2 ZINC000017194754 221380835 /nfs/dbraw/zinc/38/08/35/221380835.db2.gz OAXUVCDCBSSZIU-JOCHJYFZSA-N 0 0 379.529 5.159 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000018266716 221391874 /nfs/dbraw/zinc/39/18/74/221391874.db2.gz SRGMCGJVUINXLM-MWTRTKDXSA-N 0 0 397.503 5.514 50 30 GKEARN CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820430 221457990 /nfs/dbraw/zinc/45/79/90/221457990.db2.gz SIQKRTXMYGQOET-DNVCBOLYSA-N 0 0 394.588 6.025 50 30 GKEARN COc1cc(/C=C\c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC#N ZINC000096767571 533480922 /nfs/dbraw/zinc/48/09/22/533480922.db2.gz CCNUDLXWTXXCLC-OQFOIZHKSA-N 0 0 382.872 5.545 50 30 GKEARN CC(=O)C1=C(NC(=O)N2c3ccccc3Sc3ccccc32)C[C@@H]2[C@H]1C2(C)C ZINC000004860425 136194148 /nfs/dbraw/zinc/19/41/48/136194148.db2.gz KGJSGHUOYJOIIO-SPLOXXLWSA-N 0 0 390.508 5.518 50 30 GKEARN CO[C@@H](C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 ZINC000072311041 222224457 /nfs/dbraw/zinc/22/44/57/222224457.db2.gz QPZZLEOVUBXRFR-INIZCTEOSA-N 0 0 395.503 5.064 50 30 GKEARN COc1cc(CNc2oc(C(C)C)nc2C#N)ccc1OCc1ccccc1F ZINC000072427744 222258501 /nfs/dbraw/zinc/25/85/01/222258501.db2.gz ACWJNMJQIZEXIF-UHFFFAOYSA-N 0 0 395.434 5.008 50 30 GKEARN CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000101080565 222467062 /nfs/dbraw/zinc/46/70/62/222467062.db2.gz JUXGZNYLTLMSHE-YISMEOAQSA-N 0 0 386.904 5.363 50 30 GKEARN C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000008153674 534004611 /nfs/dbraw/zinc/00/46/11/534004611.db2.gz REQSCMOMDONJCY-LLVKDONJSA-N 0 0 390.858 5.182 50 30 GKEARN CCCNc1nc(SCc2ccccc2Cl)nc(-c2ccccc2)c1C#N ZINC000004042157 517589367 /nfs/dbraw/zinc/58/93/67/517589367.db2.gz YFINKTDPLMGDSU-UHFFFAOYSA-N 0 0 394.931 5.783 50 30 GKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000004737639 534325608 /nfs/dbraw/zinc/32/56/08/534325608.db2.gz GLCFXQWBFLFAKW-UFFVCSGVSA-N 0 0 381.844 5.016 50 30 GKEARN COc1ccc(OC)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1 ZINC000000727625 518159154 /nfs/dbraw/zinc/15/91/54/518159154.db2.gz FWVSAJAQOABOBG-RUZDIDTESA-N 0 0 385.463 5.530 50 30 GKEARN Brc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1 ZINC000006223284 518206001 /nfs/dbraw/zinc/20/60/01/518206001.db2.gz GMICXDAFSIVDMS-HYARGMPZSA-N 0 0 381.273 5.474 50 30 GKEARN C#CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000001097406 518265745 /nfs/dbraw/zinc/26/57/45/518265745.db2.gz KUBIHDCUOGOOKX-UVTDQMKNSA-N 0 0 391.926 5.222 50 30 GKEARN C#CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000004677750 518316771 /nfs/dbraw/zinc/31/67/71/518316771.db2.gz RKAQKVCHCABKCS-UHFFFAOYSA-N 0 0 393.870 5.765 50 30 GKEARN C#CCSc1nc2ccc(OCC)cc2n1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000097362752 518336944 /nfs/dbraw/zinc/33/69/44/518336944.db2.gz FORXJDZUMDTZDK-GHXNOFRVSA-N 0 0 396.899 5.167 50 30 GKEARN C(#CCN(c1ccccc1)c1ccccc1)CN(c1ccccc1)c1ccccc1 ZINC000067340252 518368477 /nfs/dbraw/zinc/36/84/77/518368477.db2.gz NSEDVVNTDAMRCN-UHFFFAOYSA-N 0 0 388.514 6.666 50 30 GKEARN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccccc1OCc1cccc2ccccc21 ZINC000006610203 518375817 /nfs/dbraw/zinc/37/58/17/518375817.db2.gz NYJQPSYSWDFHCO-WGOQTCKBSA-N 0 0 392.462 5.741 50 30 GKEARN C(=NNc1ccccc1)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000004675673 518377151 /nfs/dbraw/zinc/37/71/51/518377151.db2.gz AGKXAGZEZXWVMG-WPWMEQJKSA-N 0 0 375.475 6.289 50 30 GKEARN C/C(=N/OCc1ccccc1[N+](=O)[O-])c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051095 518457507 /nfs/dbraw/zinc/45/75/07/518457507.db2.gz VFETZAQHXWAIRR-ULJHMMPZSA-N 0 0 387.439 5.056 50 30 GKEARN CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(Cl)C1=O ZINC000100004308 518597223 /nfs/dbraw/zinc/59/72/23/518597223.db2.gz BTAWLOMDHNZVPX-UHFFFAOYSA-N 0 0 386.963 6.489 50 30 GKEARN CC(C)(C)C1C/C(=C\c2ccccc2Cl)C(=O)/C(=C\c2ccccc2Cl)C1 ZINC000017281862 518601113 /nfs/dbraw/zinc/60/11/13/518601113.db2.gz URPRDKNLDCYRPM-MGYAYREDSA-N 0 0 399.361 7.486 50 30 GKEARN CC(C)(C)C1CCC(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000012823403 518603055 /nfs/dbraw/zinc/60/30/55/518603055.db2.gz CDAHLXMBMPAYND-UHFFFAOYSA-N 0 0 394.515 5.133 50 30 GKEARN C=C(C)Cn1c2scc(-c3ccccc3)c2c2nc(-c3ccccc3)nn2c1=O ZINC000032102224 518639982 /nfs/dbraw/zinc/63/99/82/518639982.db2.gz RVLNHTVVAUFQJA-UHFFFAOYSA-N 0 0 398.491 5.016 50 30 GKEARN C=C(C)Cn1c(SCCCCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002271048 518640909 /nfs/dbraw/zinc/64/09/09/518640909.db2.gz TYZRRRUKURCLCQ-UHFFFAOYSA-N 0 0 376.591 5.585 50 30 GKEARN C=C1[C@H](C(=O)Nc2ccc3ccccc3c2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000017918169 518668532 /nfs/dbraw/zinc/66/85/32/518668532.db2.gz FWDGYDQSLQDGLW-PSWAGMNNSA-N 0 0 392.458 5.372 50 30 GKEARN C=CC/N=c1\scc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc2ccccc21 ZINC000017201468 518684027 /nfs/dbraw/zinc/68/40/27/518684027.db2.gz YPVNVEOXWPQYIG-RFBIWTDZSA-N 0 0 398.575 6.743 50 30 GKEARN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)CC)C2 ZINC000022331188 518696962 /nfs/dbraw/zinc/69/69/62/518696962.db2.gz ADYUQGQVJPBSCU-CQSZACIVSA-N 0 0 377.550 5.371 50 30 GKEARN C=CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C1CCCCC1 ZINC000022653835 518737469 /nfs/dbraw/zinc/73/74/69/518737469.db2.gz QUFLMNKBNWFXGB-UHFFFAOYSA-N 0 0 383.513 5.147 50 30 GKEARN C=CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000004001987 518784371 /nfs/dbraw/zinc/78/43/71/518784371.db2.gz VMSVFCSSKICMTA-UHFFFAOYSA-N 0 0 388.216 5.841 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000015011405 518832586 /nfs/dbraw/zinc/83/25/86/518832586.db2.gz YAUYCPRAZZEAFT-OQLLNIDSSA-N 0 0 396.320 5.641 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)cc1 ZINC000002678024 519016844 /nfs/dbraw/zinc/01/68/44/519016844.db2.gz KJCJVNZYYUOUGC-UYPHOHSBSA-N 0 0 389.586 5.669 50 30 GKEARN C=CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000032622315 519027661 /nfs/dbraw/zinc/02/76/61/519027661.db2.gz ZRJBWIRMIFQMSJ-UHFFFAOYSA-N 0 0 397.434 5.221 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076810 519042781 /nfs/dbraw/zinc/04/27/81/519042781.db2.gz FRQNDOMEKWVWOR-SFHVURJKSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1 ZINC000046076030 519048261 /nfs/dbraw/zinc/04/82/61/519048261.db2.gz RAYYFBIOCHHHNK-LJQANCHMSA-N 0 0 375.493 5.762 50 30 GKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1 ZINC000046077068 519048748 /nfs/dbraw/zinc/04/87/48/519048748.db2.gz OOKPRPASYAMUSI-GOSISDBHSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2Cc1ccc(C)cc1 ZINC000035927699 519063648 /nfs/dbraw/zinc/06/36/48/519063648.db2.gz JDDPBXHFWAERNH-SFHVURJKSA-N 0 0 376.500 5.091 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccccc1C ZINC000035927744 519063987 /nfs/dbraw/zinc/06/39/87/519063987.db2.gz XRAPLFYKNPUMDY-UHFFFAOYSA-N 0 0 376.500 5.093 50 30 GKEARN C=CCc1ccc(OCCCCOc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000002984160 519135719 /nfs/dbraw/zinc/13/57/19/519135719.db2.gz ZJJDWDWYYFCIRI-UHFFFAOYSA-N 0 0 380.406 5.681 50 30 GKEARN C=CCc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1 ZINC000007668819 519136028 /nfs/dbraw/zinc/13/60/28/519136028.db2.gz ATBAHSNVQQWENH-UHFFFAOYSA-N 0 0 381.516 5.688 50 30 GKEARN C=CCc1ccc(OCCOCCOc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000002987027 519137714 /nfs/dbraw/zinc/13/77/14/519137714.db2.gz UZMANSAZWJYSGV-UHFFFAOYSA-N 0 0 397.298 5.205 50 30 GKEARN C=CCn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000003876419 519149490 /nfs/dbraw/zinc/14/94/90/519149490.db2.gz XAOWJCXUFWCKPK-PTGBLXJZSA-N 0 0 380.447 5.577 50 30 GKEARN C=CCn1c(/C=C(/C(=O)Oc2ccccc2)c2ccccc2)nc2ccccc21 ZINC000004418761 519150912 /nfs/dbraw/zinc/15/09/12/519150912.db2.gz OGWLVPFCKWIKCG-DYTRJAOYSA-N 0 0 380.447 5.369 50 30 GKEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCc1ccccc1Cl ZINC000002623092 519155320 /nfs/dbraw/zinc/15/53/20/519155320.db2.gz ZVRVJVDMYJAYNG-UHFFFAOYSA-N 0 0 388.945 5.467 50 30 GKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(OC)cc1 ZINC000004356766 519236944 /nfs/dbraw/zinc/23/69/44/519236944.db2.gz JWHAHCGVHPLQGC-UHFFFAOYSA-N 0 0 389.883 5.225 50 30 GKEARN C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1C1CCCCC1 ZINC000003301397 519237054 /nfs/dbraw/zinc/23/70/54/519237054.db2.gz YJLOMRWLQSBXFF-UHFFFAOYSA-N 0 0 395.528 5.219 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000006317570 519240063 /nfs/dbraw/zinc/24/00/63/519240063.db2.gz LDJZJUMCUQBVQK-UHFFFAOYSA-N 0 0 377.300 5.125 50 30 GKEARN C=CCn1c(SCc2ccc(C)c(C)c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000004346057 519240179 /nfs/dbraw/zinc/24/01/79/519240179.db2.gz HTYPDDDIHALWMD-UHFFFAOYSA-N 0 0 395.528 5.057 50 30 GKEARN C=CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000009512205 519240502 /nfs/dbraw/zinc/24/05/02/519240502.db2.gz FXYVEBCZDGPSHR-UHFFFAOYSA-N 0 0 389.883 5.225 50 30 GKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1 ZINC000004345980 519241736 /nfs/dbraw/zinc/24/17/36/519241736.db2.gz PYHIYJTVSAGHIV-UHFFFAOYSA-N 0 0 389.446 5.751 50 30 GKEARN C=CCn1c(SCc2ccccc2F)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017081770 519245776 /nfs/dbraw/zinc/24/57/76/519245776.db2.gz KEVIULKKBNTRIO-AWEZNQCLSA-N 0 0 399.560 5.749 50 30 GKEARN C=CCn1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)c2ccccc21 ZINC000096624566 519275575 /nfs/dbraw/zinc/27/55/75/519275575.db2.gz AXNQPNLGISYTIH-NEHLPSIOSA-N 0 0 387.508 5.451 50 30 GKEARN CC(=C\c1ccccc1)/C=C1\S/C(=N\c2ccc(Br)cc2)NC1=O ZINC000015015629 519348631 /nfs/dbraw/zinc/34/86/31/519348631.db2.gz PDIFRSZLSURBJJ-YMGXUNRSSA-N 0 0 399.313 5.287 50 30 GKEARN CC(C)=CCCC1=CC[C@H](CN=Nc2nnc3c4ccccc4[nH]c3n2)[C@@H](C)C1 ZINC000015018452 519402893 /nfs/dbraw/zinc/40/28/93/519402893.db2.gz ZCJLTEJKVFLIJW-SGQPROSPSA-N 0 0 388.519 5.623 50 30 GKEARN CC(C)=CCCC1=CC[C@H](CN=Nc2nnc3c4ccccc4[nH]c3n2)[C@H](C)C1 ZINC000015018451 519403748 /nfs/dbraw/zinc/40/37/48/519403748.db2.gz ZCJLTEJKVFLIJW-SWUZYOFASA-N 0 0 388.519 5.623 50 30 GKEARN CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cc(C(F)(F)F)ccc1Cl ZINC000017822726 519438088 /nfs/dbraw/zinc/43/80/88/519438088.db2.gz CSRSIRCFTQZNOT-SXGWCWSVSA-N 0 0 397.805 5.542 50 30 GKEARN CC(C)=N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100220714 519446238 /nfs/dbraw/zinc/44/62/38/519446238.db2.gz AGSDZTBXEYDVJT-YHMQUTQNSA-N 0 0 394.474 5.085 50 30 GKEARN CC(C)CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000004649229 519604162 /nfs/dbraw/zinc/60/41/62/519604162.db2.gz UHFLVTQEYSASSY-LFYBBSHMSA-N 0 0 386.289 5.330 50 30 GKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009264267 519640226 /nfs/dbraw/zinc/64/02/26/519640226.db2.gz FKJISGVXKYVBPV-AVRWGWEMSA-N 0 0 398.462 5.200 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000018116153 519640916 /nfs/dbraw/zinc/64/09/16/519640916.db2.gz RLXIKKSMSXZEAZ-CJAUYULYSA-N 0 0 398.462 5.200 50 30 GKEARN CC(C)Sc1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000003028687 519787843 /nfs/dbraw/zinc/78/78/43/519787843.db2.gz LDANJEBFFAKTNX-AWQFTUOYSA-N 0 0 399.299 5.953 50 30 GKEARN CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 ZINC000009530518 519834360 /nfs/dbraw/zinc/83/43/60/519834360.db2.gz PXMIWXXTRJZZTN-UCQKPKSFSA-N 0 0 390.479 5.912 50 30 GKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)CC(C)(C)CC1=O ZINC000100140353 519905536 /nfs/dbraw/zinc/90/55/36/519905536.db2.gz OHZVNTHVDFSMKL-UHFFFAOYSA-N 0 0 394.559 5.319 50 30 GKEARN CCOCCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N/c1ccccc1 ZINC000100291126 519911229 /nfs/dbraw/zinc/91/12/29/519911229.db2.gz MSJCREOPKYFQCB-LRXSNBMBSA-N 0 0 398.553 5.049 50 30 GKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000020503295 519928225 /nfs/dbraw/zinc/92/82/25/519928225.db2.gz HEALUKCCTYDROI-QHCPKHFHSA-N 0 0 378.472 5.367 50 30 GKEARN CCCCCC/C=C\CC/C=C\CCCCCCCCCCCCCCC ZINC000064859421 519946225 /nfs/dbraw/zinc/94/62/25/519946225.db2.gz RJYQFYALHBHYMG-ADYYPQGGSA-N 0 0 376.713 10.331 50 30 in-vitro GKEARN CCCCCCCC(=O)Nc1c(-c2cc(F)ccc2F)nc2cc(C)ccn21 ZINC000102993319 519964050 /nfs/dbraw/zinc/96/40/50/519964050.db2.gz BOTLFBXXYMYFFV-UHFFFAOYSA-N 0 0 385.458 5.887 50 30 GKEARN CCCCCCCC(=O)Nc1sc(C)c(-c2ccc([C@H](C)CC)cc2)c1C#N ZINC000002773583 519965479 /nfs/dbraw/zinc/96/54/79/519965479.db2.gz JSHOEHIGSTUSBF-QGZVFWFLSA-N 0 0 396.600 7.408 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2cccc(Cl)c2)nc2cc(C)ccn21 ZINC000102996496 519972608 /nfs/dbraw/zinc/97/26/08/519972608.db2.gz UEXMBMLAFCMNTE-UHFFFAOYSA-N 0 0 397.950 6.652 50 30 GKEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ncc(C)s1 ZINC000103065625 519975388 /nfs/dbraw/zinc/97/53/88/519975388.db2.gz AXGIPGFBFDAMEG-UHFFFAOYSA-N 0 0 381.586 5.159 50 30 GKEARN CCCCCCCCCC=CC[C@@H]1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1=O ZINC000095719290 519975803 /nfs/dbraw/zinc/97/58/03/519975803.db2.gz JHWJUKVZCSFSLL-QZMUEMGWSA-N 0 0 397.603 6.951 50 30 GKEARN CCCCCCCCC/C(=N\O)c1cc(CCCCCC)c(OC)cc1O ZINC000100166344 519976099 /nfs/dbraw/zinc/97/60/99/519976099.db2.gz VXAYTTFWOYSUFE-DARPEHSRSA-N 0 0 377.569 6.843 50 30 GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000098001388 519977063 /nfs/dbraw/zinc/97/70/63/519977063.db2.gz KNPPLFMOKZELGZ-UHFFFAOYSA-N 0 0 382.504 5.724 50 30 biogenic GKEARN CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)[C@@H](C)CC ZINC000102999533 519981840 /nfs/dbraw/zinc/98/18/40/519981840.db2.gz ATMWCCQSPRFCEQ-SFHVURJKSA-N 0 0 393.572 5.470 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000095722918 519982279 /nfs/dbraw/zinc/98/22/79/519982279.db2.gz BIOKZDCFIPXOIJ-UHFFFAOYSA-N 0 0 378.771 7.506 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000017596232 519988075 /nfs/dbraw/zinc/98/80/75/519988075.db2.gz YZWBXGMMZOEBAN-UHFFFAOYSA-N 0 0 398.635 7.308 50 30 endogenous,in-man GKEARN CCCCCCCCCCCCCCCCCC(=O)N(O)c1ccccc1 ZINC000070665332 519990423 /nfs/dbraw/zinc/99/04/23/519990423.db2.gz FLLZBMITAFEFHP-UHFFFAOYSA-N 0 0 375.597 7.670 50 30 biogenic GKEARN CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000064858714 519993887 /nfs/dbraw/zinc/99/38/87/519993887.db2.gz WOPKHAQDUMDJIY-UHFFFAOYSA-N 0 0 396.700 9.152 50 30 in-vitro GKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO ZINC000059696284 519994407 /nfs/dbraw/zinc/99/44/07/519994407.db2.gz XHFWUECSNJWBJU-UHFFFAOYSA-N 0 0 383.661 6.917 50 30 in-vitro GKEARN CCCCCCCCCCCCCCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000101016492 519997150 /nfs/dbraw/zinc/99/71/50/519997150.db2.gz YCQBXAOZZKJMEX-UHFFFAOYSA-N 0 0 391.596 8.235 50 30 GKEARN CCCCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1 ZINC000101017357 520000729 /nfs/dbraw/zinc/00/07/29/520000729.db2.gz WZXYXXWJPMLRGG-UHFFFAOYSA-N 0 0 382.610 6.873 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1 ZINC000100167163 520000799 /nfs/dbraw/zinc/00/07/99/520000799.db2.gz MTUOFCHQHGGMDS-NJNXFGOHSA-N 0 0 391.596 7.451 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccccc1OC(C)=O ZINC000101016695 520001448 /nfs/dbraw/zinc/00/14/48/520001448.db2.gz VWLBFBDEWRDFHW-UHFFFAOYSA-N 0 0 376.581 7.472 50 30 GKEARN CCCCCCCCCCCCCCCc1cc(=S)n(C)c2ccc(C)cc12 ZINC000100853421 520006123 /nfs/dbraw/zinc/00/61/23/520006123.db2.gz CAJXJLGTRMCVFT-UHFFFAOYSA-N 0 0 399.688 8.850 50 30 GKEARN CCCCCCCCCCCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000097977011 520009971 /nfs/dbraw/zinc/00/99/71/520009971.db2.gz ZDAQXRMVTSEIAX-UHFFFAOYSA-N 0 0 375.578 6.039 50 30 GKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 ZINC000098001491 520010512 /nfs/dbraw/zinc/01/05/12/520010512.db2.gz QIXBYAAQALKTEU-UHFFFAOYSA-N 0 0 388.596 6.005 50 30 biogenic GKEARN CCCCCCCCCCCCc1ccc(Nc2ccc(C(=O)OC)cc2)cc1 ZINC000102054372 520016301 /nfs/dbraw/zinc/01/63/01/520016301.db2.gz VSUGBWCBSWUJGA-UHFFFAOYSA-N 0 0 395.587 7.680 50 30 GKEARN CCCCCCCCCCCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000050861269 520017284 /nfs/dbraw/zinc/01/72/84/520017284.db2.gz RDVGWFKZXZPFLB-UHFFFAOYSA-N 0 0 397.006 7.811 50 30 GKEARN CCCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000097944446 520019400 /nfs/dbraw/zinc/01/94/00/520019400.db2.gz ZKRGAIQQCVRAAB-MNDPQUGUSA-N 0 0 376.928 5.605 50 30 GKEARN CCCCCCCCCCOC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000097954990 520021339 /nfs/dbraw/zinc/02/13/39/520021339.db2.gz BUZIILBMPBPZSF-OAQYLSRUSA-N 0 0 381.560 6.313 50 30 GKEARN CCCCCCCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000100502718 520021528 /nfs/dbraw/zinc/02/15/28/520021528.db2.gz UUPDEXWDQJZSEH-SDXDJHTJSA-N 0 0 377.575 5.695 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)NCc2ccccn2)cc1 ZINC000100284915 520023124 /nfs/dbraw/zinc/02/31/24/520023124.db2.gz JJIVEKUOLZQJJR-UHFFFAOYSA-N 0 0 383.536 5.923 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C)c2C)cc1 ZINC000100034624 520023428 /nfs/dbraw/zinc/02/34/28/520023428.db2.gz FYWLVAIHSSARFW-UHFFFAOYSA-N 0 0 396.575 7.467 50 30 GKEARN CCCCCCCCCNc1ncc2c(n1)C[C@H](c1ccc(OC)cc1)CC2=O ZINC000003771445 520027117 /nfs/dbraw/zinc/02/71/17/520027117.db2.gz ZBVAVLXMYPSOAF-IBGZPJMESA-N 0 0 395.547 5.560 50 30 GKEARN CCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000098001253 520027731 /nfs/dbraw/zinc/02/77/31/520027731.db2.gz XFSSJWTVYUMDOP-UHFFFAOYSA-N 0 0 380.532 5.728 50 30 GKEARN CCCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052388 520030120 /nfs/dbraw/zinc/03/01/20/520030120.db2.gz RTQFMHKEIOUPDD-COTURZNSSA-N 0 0 391.559 7.817 50 30 GKEARN CCCCCCCCCOc1cccc(CNc2cccc3ccccc32)c1 ZINC000002270418 520030221 /nfs/dbraw/zinc/03/02/21/520030221.db2.gz DSDYFCHAUHGCLD-UHFFFAOYSA-N 0 0 375.556 7.581 50 30 GKEARN CCCCCCCCCn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000050861335 520031542 /nfs/dbraw/zinc/03/15/42/520031542.db2.gz JKCNQZRTLORUIT-UHFFFAOYSA-N 0 0 380.532 6.471 50 30 GKEARN CCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000002082074 520035609 /nfs/dbraw/zinc/03/56/09/520035609.db2.gz BFYQNVPZNJCAIR-UHFFFAOYSA-N 0 0 388.555 6.609 50 30 GKEARN CCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000100045171 520038603 /nfs/dbraw/zinc/03/86/03/520038603.db2.gz CFXCGWWYIDZIMU-UHFFFAOYSA-N 0 0 390.608 6.824 50 30 GKEARN CCCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F ZINC000100566238 520041111 /nfs/dbraw/zinc/04/11/11/520041111.db2.gz UGKROORJMAVFRK-UHFFFAOYSA-N 0 0 399.594 8.140 50 30 GKEARN CCCCCCCCOc1ccc(OC(=O)c2cccc(C(=O)OCC)n2)cc1 ZINC000097997890 520043391 /nfs/dbraw/zinc/04/33/91/520043391.db2.gz OHHNACYKNDTJBI-UHFFFAOYSA-N 0 0 399.487 5.217 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 ZINC000097998381 520043546 /nfs/dbraw/zinc/04/35/46/520043546.db2.gz PBEOBGDCXUEGDC-NKFKGCMQSA-N 0 0 391.511 6.079 50 30 GKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000217991387 520043777 /nfs/dbraw/zinc/04/37/77/520043777.db2.gz UIFUEQIGGCPBRX-IBGZPJMESA-N 0 0 384.472 5.129 50 30 biogenic GKEARN CCCCCCCCOc1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O ZINC000033353622 520045990 /nfs/dbraw/zinc/04/59/90/520045990.db2.gz VGGNQGDJHKAECZ-UHFFFAOYSA-N 0 0 388.467 5.145 50 30 GKEARN CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1 ZINC000002555391 520046271 /nfs/dbraw/zinc/04/62/71/520046271.db2.gz JTZCTMAVMHRNTR-UHFFFAOYSA-N 0 0 378.925 6.390 50 30 in-vitro GKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)OC[C@H](C)CC)cc2)cc1 ZINC000059845080 520050047 /nfs/dbraw/zinc/05/00/47/520050047.db2.gz UZGDQUWQCZLUPF-OAQYLSRUSA-N 0 0 380.572 7.460 50 30 GKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000050861222 520051334 /nfs/dbraw/zinc/05/13/34/520051334.db2.gz NINDOMGTBBCNAR-FQEVSTJZSA-N 0 0 389.543 5.917 50 30 GKEARN CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(OCC)cc1 ZINC000050861890 520055611 /nfs/dbraw/zinc/05/56/11/520055611.db2.gz REDOECITOLZSPG-UHFFFAOYSA-N 0 0 393.531 5.433 50 30 GKEARN CCCCCCCOc1ccc([N+](=O)[O-])cc1COc1ccc(Cl)cc1C ZINC000002166688 520063570 /nfs/dbraw/zinc/06/35/70/520063570.db2.gz SKUXRDVUSZMCGW-UHFFFAOYSA-N 0 0 391.895 6.485 50 30 GKEARN CCCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000098048192 520064518 /nfs/dbraw/zinc/06/45/18/520064518.db2.gz WICIKYXPTYIXJW-UHFFFAOYSA-N 0 0 392.499 6.252 50 30 GKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1 ZINC000100152993 520064809 /nfs/dbraw/zinc/06/48/09/520064809.db2.gz HFUJRCDUUOENGU-UHFFFAOYSA-N 0 0 382.548 6.134 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000050860603 520071435 /nfs/dbraw/zinc/07/14/35/520071435.db2.gz LWUZRMFGGANPSV-HXUWFJFHSA-N 0 0 389.543 5.836 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000050860570 520072380 /nfs/dbraw/zinc/07/23/80/520072380.db2.gz JASBJZUHPSCMIG-FQEVSTJZSA-N 0 0 389.543 5.836 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F ZINC000102594237 520076470 /nfs/dbraw/zinc/07/64/70/520076470.db2.gz SPQIIXOLIQEBSP-MRJHHRETSA-N 0 0 395.474 5.136 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000020617821 520076605 /nfs/dbraw/zinc/07/66/05/520076605.db2.gz GMHMTMKMMCYLAL-HXUWFJFHSA-N 0 0 397.902 5.499 50 30 GKEARN CC/C=N/N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000102320328 520204803 /nfs/dbraw/zinc/20/48/03/520204803.db2.gz WYNULXLCEYYXEZ-IECCNTTMSA-N 0 0 394.474 5.085 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000002795938 520228002 /nfs/dbraw/zinc/22/80/02/520228002.db2.gz TZXXNLOXQXDXPM-JOCHJYFZSA-N 0 0 395.543 5.332 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 ZINC000100563543 520257951 /nfs/dbraw/zinc/25/79/51/520257951.db2.gz XJHGLZJWGACNPS-IBGZPJMESA-N 0 0 389.882 5.278 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@@H]2c1cccs1 ZINC000018116888 520259939 /nfs/dbraw/zinc/25/99/39/520259939.db2.gz WGSFLBVCBPASIR-OAQYLSRUSA-N 0 0 392.524 5.301 50 30 GKEARN CCCOc1ccc(/C=C2/CCc3c(C)cc(C)cc3C2=O)c(OCCC)c1 ZINC000033421015 520320522 /nfs/dbraw/zinc/32/05/22/520320522.db2.gz INRBQPHRGZHUNP-HKWRFOASSA-N 0 0 378.512 6.094 50 30 GKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020648802 520417373 /nfs/dbraw/zinc/41/73/73/520417373.db2.gz PQMCCXGFFXYBIU-ODLFYWEKSA-N 0 0 389.854 5.033 50 30 GKEARN CCCC[N@H+](C)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020649450 520417728 /nfs/dbraw/zinc/41/77/28/520417728.db2.gz OEDRSBTUTZUGKJ-BKUYFWCQSA-N 0 0 391.467 5.295 50 30 GKEARN CCCOc1ccccc1/C=C1\S/C(=N/c2cccc(Cl)c2C)NC1=O ZINC000004660120 520472211 /nfs/dbraw/zinc/47/22/11/520472211.db2.gz WOJBJAWPDSSTMH-PDGQHHTCSA-N 0 0 386.904 5.329 50 30 GKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1sccc1C)O2 ZINC000020625005 520496711 /nfs/dbraw/zinc/49/67/11/520496711.db2.gz QVAZLLGQZPRBHZ-ZHZULCJRSA-N 0 0 399.556 5.781 50 30 GKEARN CCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 ZINC000100297107 520556167 /nfs/dbraw/zinc/55/61/67/520556167.db2.gz IOYJVJOSNPUXJC-NFVLHAOASA-N 0 0 375.497 5.572 50 30 GKEARN CCOc1cc(/C=C/C(=O)c2cc(C)sc2C)cc(Br)c1O ZINC000006646935 520618735 /nfs/dbraw/zinc/61/87/35/520618735.db2.gz FIEZBYUYPFIOTQ-AATRIKPKSA-N 0 0 381.291 5.128 50 30 GKEARN CCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 ZINC000000681062 520645293 /nfs/dbraw/zinc/64/52/93/520645293.db2.gz QXDGEKMYSKDUDF-PCLIKHOPSA-N 0 0 388.467 5.373 50 30 GKEARN CCOc1cc(C)c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C ZINC000015012881 520672829 /nfs/dbraw/zinc/67/28/29/520672829.db2.gz SUMSZSUVEGKVKW-UDWIEESQSA-N 0 0 398.503 5.548 50 30 GKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1ncc(-c3ccc4ccccc4c3)s1)C2 ZINC000017282433 520682078 /nfs/dbraw/zinc/68/20/78/520682078.db2.gz OLJYBWWEEIPPRM-FDEOQOQWSA-N 0 0 375.541 6.577 50 30 GKEARN CCOC(=O)COC1C(=O)c2ccccc2C(=O)C1=CCCCC1CCCCC1 ZINC000002162394 520793790 /nfs/dbraw/zinc/79/37/90/520793790.db2.gz BSLRMGMQQDHTJM-UHFFFAOYSA-N 0 0 398.499 5.040 50 30 GKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 ZINC000019972795 520819696 /nfs/dbraw/zinc/81/96/96/520819696.db2.gz RUWJXLLHZUAYQC-QFIPXVFZSA-N 0 0 397.490 5.060 50 30 GKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2)C1C(=O)c1ccccc1 ZINC000020512735 520828239 /nfs/dbraw/zinc/82/82/39/520828239.db2.gz PTWCLLFWLYIZJT-QFIPXVFZSA-N 0 0 399.881 5.862 50 30 GKEARN CCOc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000033457358 520845619 /nfs/dbraw/zinc/84/56/19/520845619.db2.gz OOFSHCOVDHANAX-LTGZKZEYSA-N 0 0 383.447 5.958 50 30 GKEARN CCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1OC ZINC000033436516 520845984 /nfs/dbraw/zinc/84/59/84/520845984.db2.gz TXBHAXVTZQYKNN-XDJHFCHBSA-N 0 0 399.446 5.659 50 30 GKEARN CCOc1ccc(N=CC(=CNc2ccc(OCC)cc2)c2ccccc2)cc1 ZINC000005327609 520858808 /nfs/dbraw/zinc/85/88/08/520858808.db2.gz HDVGMQXYNJZWAK-ZFTLBGMFSA-N 0 0 386.495 6.340 50 30 GKEARN CCOc1ccc(C(=O)C(C)=NOC(=O)Nc2cccc3ccccc32)cc1 ZINC000004836776 520872206 /nfs/dbraw/zinc/87/22/06/520872206.db2.gz ZSKQFIZHHGJWAL-BUVRLJJBSA-N 0 0 376.412 5.046 50 30 GKEARN CCN(CC)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000004758633 520880511 /nfs/dbraw/zinc/88/05/11/520880511.db2.gz QQDGUNJNESUJKZ-PYCFMQQDSA-N 0 0 396.490 6.098 50 30 GKEARN CCC(N=Nc1nc2ccccc2s1)N=Nc1ccccc1Br ZINC000022611989 521057021 /nfs/dbraw/zinc/05/70/21/521057021.db2.gz VJOFXDMNVYFBNK-RBVGFUCJSA-N 0 0 388.294 5.400 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000021722403 521168583 /nfs/dbraw/zinc/16/85/83/521168583.db2.gz BJNVBMHFWMJYEZ-XMMPIXPASA-N 0 0 388.511 5.548 50 30 GKEARN CCCCc1ccc(NC=c2c(C)c(C#N)c3nc4ccccc4n3c2=O)cc1 ZINC000004678134 521270396 /nfs/dbraw/zinc/27/03/96/521270396.db2.gz FFFGJONPSFPKAE-CVKSISIWSA-N 0 0 382.467 5.466 50 30 GKEARN CCCCc1ccnc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000004671201 521287842 /nfs/dbraw/zinc/28/78/42/521287842.db2.gz DOMKIIZTRBHOKX-MFKUBSTISA-N 0 0 382.552 5.566 50 30 GKEARN CCOc1ccc2ccccc2c1/C=N/c1ccc([N+](=O)[O-])cc1Br ZINC000100221262 521296201 /nfs/dbraw/zinc/29/62/01/521296201.db2.gz JJHJQQZAMOEKCZ-CIAFOILYSA-N 0 0 399.244 5.660 50 30 GKEARN CCOc1cccc(/C=N/c2ccc3nc(-c4ccc(CC)cc4)oc3c2)c1O ZINC000098086889 521316532 /nfs/dbraw/zinc/31/65/32/521316532.db2.gz DUSSNVBJVKQEKI-MFKUBSTISA-N 0 0 386.451 5.912 50 30 GKEARN CCOc1cccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O ZINC000100503082 521317079 /nfs/dbraw/zinc/31/70/79/521317079.db2.gz VCISYCRECHIFJR-AFUMVMLFSA-N 0 0 386.451 5.967 50 30 GKEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Cl)ccc1O ZINC000002285539 521370197 /nfs/dbraw/zinc/37/01/97/521370197.db2.gz RQKTXLULUBRXLD-FOKLQQMPSA-N 0 0 399.899 6.010 50 30 GKEARN CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC000000652782 521375591 /nfs/dbraw/zinc/37/55/91/521375591.db2.gz QUPPNPKAZYKZFK-KEBDBYFISA-N 0 0 392.864 5.116 50 30 GKEARN CCOc1ccccc1[C@@H]1C2=C(NC3=C1C(=O)CC(C)(C)C3)c1ccccc1C2=O ZINC000100636569 521580756 /nfs/dbraw/zinc/58/07/56/521580756.db2.gz BTKMKNNZVUQJOJ-NRFANRHFSA-N 0 0 399.490 5.023 50 30 GKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000020625056 521648221 /nfs/dbraw/zinc/64/82/21/521648221.db2.gz KFMOPLKLCIHHFO-MOSHPQCFSA-N 0 0 385.891 5.284 50 30 GKEARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)C(Cl)(Cl)Cl ZINC000012601030 521730764 /nfs/dbraw/zinc/73/07/64/521730764.db2.gz FLRUEXUFMPRZOI-RVDMUPIBSA-N 0 0 382.718 5.781 50 30 GKEARN CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000021722453 521731019 /nfs/dbraw/zinc/73/10/19/521731019.db2.gz HZYHHNHWMRSWLX-HSZRJFAPSA-N 0 0 376.500 5.332 50 30 GKEARN COc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1O ZINC000026963712 521921195 /nfs/dbraw/zinc/92/11/95/521921195.db2.gz QAYXYJUIPQMETC-QGOAFFKASA-N 0 0 385.419 5.274 50 30 biogenic,in-vitro GKEARN COc1cc(/C=C\C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)ccc1OCC#N ZINC000096579201 521981484 /nfs/dbraw/zinc/98/14/84/521981484.db2.gz JGYUPIBKRQJFPX-NSIKDUERSA-N 0 0 399.446 5.192 50 30 GKEARN COc1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1 ZINC000096765899 521982193 /nfs/dbraw/zinc/98/21/93/521982193.db2.gz CVZVPGUTDRJEDO-HYXAFXHYSA-N 0 0 387.229 5.109 50 30 GKEARN COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 ZINC000000681041 521998443 /nfs/dbraw/zinc/99/84/43/521998443.db2.gz VALUCLYIJLIZHG-AFUMVMLFSA-N 0 0 392.430 5.122 50 30 GKEARN COc1cc(C(=O)/C=C/c2ccc(COc3cccc(Cl)c3)o2)ccc1O ZINC000006641587 522048942 /nfs/dbraw/zinc/04/89/42/522048942.db2.gz JLVFIDDBEBUGTH-CSKARUKUSA-N 0 0 384.815 5.122 50 30 GKEARN CN(C)c1ccc(/C=C2/CCC/C(=C/c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000033350140 522132773 /nfs/dbraw/zinc/13/27/73/522132773.db2.gz NUVKWJHNZFGASG-DJTQBEGKSA-N 0 0 383.438 5.574 50 30 GKEARN COc1cc(OC)c(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000002165232 522787952 /nfs/dbraw/zinc/78/79/52/522787952.db2.gz MEXKJXDLOBVPHX-ZVHZXABRSA-N 0 0 381.859 5.687 50 30 GKEARN COc1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000013577004 523127726 /nfs/dbraw/zinc/12/77/26/523127726.db2.gz SACRILLVUKWISK-ODLFYWEKSA-N 0 0 379.393 5.193 50 30 GKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000005020909 523365473 /nfs/dbraw/zinc/36/54/73/523365473.db2.gz ROHIVGMIGWFGAR-SSDVNMTOSA-N 0 0 392.311 5.962 50 30 GKEARN COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000005025027 523402337 /nfs/dbraw/zinc/40/23/37/523402337.db2.gz YMTGHURFTMANKP-NTUHNPAUSA-N 0 0 389.407 5.079 50 30 biogenic,in-vitro GKEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccc(Cl)cc1 ZINC000005102252 523402591 /nfs/dbraw/zinc/40/25/91/523402591.db2.gz DNIKWZOSEWZOCF-SWGQDTFXSA-N 0 0 394.854 5.529 50 30 GKEARN COc1ccc(/C=C2/CCC/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000033402028 523409084 /nfs/dbraw/zinc/40/90/84/523409084.db2.gz HVKCBNUPZFNZJJ-GJEUYDLNSA-N 0 0 380.487 6.582 50 30 GKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1 ZINC000012374181 523424820 /nfs/dbraw/zinc/42/48/20/523424820.db2.gz WOPQTLVTEBZTEA-UUYOSTAYSA-N 0 0 392.838 5.544 50 30 biogenic GKEARN COc1ccc(/C=C\C(=O)c2cc(CC=C(C)C)c(OC)cc2OC)c(OC)c1 ZINC000097414777 523433245 /nfs/dbraw/zinc/43/32/45/523433245.db2.gz DRMKYWDUTUSQSZ-BENRWUELSA-N 0 0 396.483 5.126 50 30 GKEARN COc1ccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000004828657 523445850 /nfs/dbraw/zinc/44/58/50/523445850.db2.gz IAIJHUCMOPHTSV-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN COc1ccc(CN=Nc2nc3ccccc3nc2C=Cc2cccs2)cc1 ZINC000033384434 523461667 /nfs/dbraw/zinc/46/16/67/523461667.db2.gz UVRKHENPWSQWCE-UNMKBGRBSA-N 0 0 386.480 5.316 50 30 GKEARN CCn1ccc(C(=O)/C=C/c2ccc(COc3cccc(Cl)c3Cl)o2)n1 ZINC000006637310 523491282 /nfs/dbraw/zinc/49/12/82/523491282.db2.gz CBVDKYGZAGVFKN-CMDGGOBGSA-N 0 0 391.254 5.278 50 30 GKEARN COc1ccc(C(=O)/C(=C\c2sccc2C)c2nc3ccccc3o2)cc1 ZINC000004302699 523536396 /nfs/dbraw/zinc/53/63/96/523536396.db2.gz UJIXBSFPZDTALY-GHRIWEEISA-N 0 0 375.449 5.630 50 30 GKEARN COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2cccs2)cc1 ZINC000004833436 523773286 /nfs/dbraw/zinc/77/32/86/523773286.db2.gz ZXIMMFVYEWWOLY-MDZDMXLPSA-N 0 0 382.412 5.011 50 30 GKEARN CC[C@H](C)N=C(Nc1ccc(C)cc1)C(=N[C@@H](C)CC)Nc1ccc(C)cc1 ZINC000017154946 523820291 /nfs/dbraw/zinc/82/02/91/523820291.db2.gz FMGGNWIDZMOMJX-PMACEKPBSA-N 0 0 378.564 6.031 50 30 GKEARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101763777 523850849 /nfs/dbraw/zinc/85/08/49/523850849.db2.gz DVINVMUKSXCJLI-DIBXZPPDSA-N 0 0 398.428 5.931 50 30 GKEARN CCc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 ZINC000098086882 523861520 /nfs/dbraw/zinc/86/15/20/523861520.db2.gz YKXUICMGMCUVND-ZMOGYAJESA-N 0 0 376.843 6.167 50 30 GKEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 ZINC000013776599 523872872 /nfs/dbraw/zinc/87/28/72/523872872.db2.gz NNCLKSPDVUMSRI-UNOMPAQXSA-N 0 0 376.433 5.146 50 30 GKEARN CCc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C/c3ccc(CC)cc3)C2=O)cc1 ZINC000033424141 523873707 /nfs/dbraw/zinc/87/37/07/523873707.db2.gz MRIZSTLVRHLDLB-YFJQDTPYSA-N 0 0 386.579 7.304 50 30 GKEARN CCc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)cc1 ZINC000015016597 523873966 /nfs/dbraw/zinc/87/39/66/523873966.db2.gz RNOHTGYDQJPQMK-JWZHWXDPSA-N 0 0 380.538 5.047 50 30 GKEARN CCc1ccc(NC(=S)N/N=C/c2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000003048656 523993071 /nfs/dbraw/zinc/99/30/71/523993071.db2.gz KTOULNDFRZWVIZ-OEAKJJBVSA-N 0 0 396.947 5.073 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)c1n[nH]c2c1CCC2=Cc1ccccc1 ZINC000097995199 524035001 /nfs/dbraw/zinc/03/50/01/524035001.db2.gz AUSISAGNACSPNJ-WINQIOIRSA-N 0 0 395.506 5.391 50 30 GKEARN CCc1cccc(CC)c1/N=C/c1cccc(/C=N/c2c(CC)cccc2CC)c1 ZINC000017193619 524067400 /nfs/dbraw/zinc/06/74/00/524067400.db2.gz ZYXBQVCBBWHWPD-CZYCKNNWSA-N 0 0 396.578 7.437 50 30 GKEARN Cc1ccc2oc(-c3cc(/N=C\C=C\c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 ZINC000003066484 524085533 /nfs/dbraw/zinc/08/55/33/524085533.db2.gz GPGHXUKZAGFBOE-YOXYVNERSA-N 0 0 399.406 5.833 50 30 GKEARN Cc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc54)c3)nc2c1 ZINC000100502885 524086221 /nfs/dbraw/zinc/08/62/21/524086221.db2.gz NJRNSCHJQCJRLY-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1cccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)c1 ZINC000098086899 524120572 /nfs/dbraw/zinc/12/05/72/524120572.db2.gz JHBYHLOKLXHOEA-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc1C ZINC000055823544 524179532 /nfs/dbraw/zinc/17/95/32/524179532.db2.gz UXLQAEJCYOHWNG-UHFFFAOYSA-N 0 0 376.481 5.262 50 30 GKEARN Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C\c3ccccc3Cl)cc2)c1 ZINC000034721883 524215186 /nfs/dbraw/zinc/21/51/86/524215186.db2.gz FQBOBBUZZXBLGZ-KAMYIIQDSA-N 0 0 375.855 5.797 50 30 GKEARN Cc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccc(Cl)cc1 ZINC000003048666 524298685 /nfs/dbraw/zinc/29/86/85/524298685.db2.gz XDNPVCSCXBVYBQ-YDZHTSKRSA-N 0 0 396.947 5.127 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1ccccc1Cl ZINC000263640011 534773464 /nfs/dbraw/zinc/77/34/64/534773464.db2.gz SSMYJPRRNFZXLY-KPKJPENVSA-N 0 0 387.788 6.317 50 30 GKEARN COc1ccccc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O ZINC000013655907 524321802 /nfs/dbraw/zinc/32/18/02/524321802.db2.gz RWMBNZATWATJRT-IRDHKZPBSA-N 0 0 384.431 5.404 50 30 GKEARN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000013880823 524321911 /nfs/dbraw/zinc/32/19/11/524321911.db2.gz GEFSVXPHXKDDHC-DJOYVXLESA-N 0 0 390.464 5.092 50 30 GKEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000252429380 524325158 /nfs/dbraw/zinc/32/51/58/524325158.db2.gz IVTVKOFCRNPTJS-ULHFSFPLSA-N 0 0 392.528 5.087 50 30 GKEARN Cc1cccc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)c1C ZINC000101349923 524529635 /nfs/dbraw/zinc/52/96/35/524529635.db2.gz HJQNJNNUXGSRMT-RIYZIHGNSA-N 0 0 377.669 5.281 50 30 GKEARN COc1ccccc1N1C(=S)N=C(Nc2c(C)cccc2C)C12CCCCC2 ZINC000013764533 524535730 /nfs/dbraw/zinc/53/57/30/524535730.db2.gz ZVFYTRIAFOXKQV-UHFFFAOYSA-N 0 0 393.556 5.440 50 30 GKEARN Cc1ccc(C[C@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 ZINC000007791065 524667921 /nfs/dbraw/zinc/66/79/21/524667921.db2.gz QQPPEKGQSZEFBZ-GOSISDBHSA-N 0 0 399.523 5.297 50 30 GKEARN COc1ccccc1[C@@H](CC/N=C/c1ccccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000004027873 524729762 /nfs/dbraw/zinc/72/97/62/524729762.db2.gz RFBQGXKIZQGLDS-MRFHOMMXSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN Cc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)cs2)cc1 ZINC000003504390 524896911 /nfs/dbraw/zinc/89/69/11/524896911.db2.gz LLFFAQAAQZCUHE-UHFFFAOYSA-N 0 0 393.537 5.158 50 30 GKEARN Cc1cc(Cl)ccc1OCc1nnc(SCCC#N)n1C1CCCCC1 ZINC000036220121 524906313 /nfs/dbraw/zinc/90/63/13/524906313.db2.gz SFQVRNPZCBGTEZ-UHFFFAOYSA-N 0 0 390.940 5.330 50 30 GKEARN Cc1ccc(NC=CC(=O)[C@H](C)Oc2ccc(-c3ccccc3)c(F)c2)cc1 ZINC000100096485 524914217 /nfs/dbraw/zinc/91/42/17/524914217.db2.gz FZXVYRIIXGQFBE-JJJPLKNQSA-N 0 0 375.443 5.763 50 30 GKEARN Cc1ccc(NC(=NCC(C)C)C(=NCC(C)C)Nc2ccc(C)cc2)cc1 ZINC000002123160 524989322 /nfs/dbraw/zinc/98/93/22/524989322.db2.gz IYXZZNLTKPAXHU-UHFFFAOYSA-N 0 0 378.564 5.936 50 30 GKEARN Cc1ccccc1-c1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2o1 ZINC000098086892 525012830 /nfs/dbraw/zinc/01/28/30/525012830.db2.gz SNQRUQCIZKMMOJ-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1ccccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000022064821 525039383 /nfs/dbraw/zinc/03/93/83/525039383.db2.gz TYDNYGFJFJNTCT-JTUXUYRKSA-N 0 0 398.531 5.668 50 30 GKEARN Cc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccc(Cl)cc1 ZINC000069383088 525039414 /nfs/dbraw/zinc/03/94/14/525039414.db2.gz XQLNQSPNEPHWNH-DTQAZKPQSA-N 0 0 397.905 7.068 50 30 GKEARN Cc1cc(NC=CC(=O)c2ccc(OCCCF)cc2)ccc1Br ZINC000100101060 525045156 /nfs/dbraw/zinc/04/51/56/525045156.db2.gz SKHVDTIPGOPWJY-PKNBQFBNSA-N 0 0 392.268 5.304 50 30 GKEARN CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1ccc(C)cc1 ZINC000017241861 525342714 /nfs/dbraw/zinc/34/27/14/525342714.db2.gz KGPSESVYSFQJIU-GFMRDNFCSA-N 0 0 397.975 6.621 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(Cl)c1 ZINC000100686041 525342827 /nfs/dbraw/zinc/34/28/27/525342827.db2.gz BISSQTXUDPZJQZ-GFMRDNFCSA-N 0 0 397.975 6.539 50 30 GKEARN Cc1[nH]c2ccccc2c1/C=C1/N=C(SCc2ccccc2Cl)SC1=O ZINC000096505634 525430946 /nfs/dbraw/zinc/43/09/46/525430946.db2.gz HQDJOFRVDKVSJK-VCHYOVAHSA-N 0 0 398.940 6.033 50 30 GKEARN Cc1ccc(OCc2ccccc2)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 ZINC000004070530 525446256 /nfs/dbraw/zinc/44/62/56/525446256.db2.gz AFEQCNYIZCSGOL-CSKARUKUSA-N 0 0 386.447 5.241 50 30 GKEARN Cc1c(/C=C/C(=O)c2ccc(C)cc2OCc2ccccc2)oc2cc(C)ccc12 ZINC000005342940 525517578 /nfs/dbraw/zinc/51/75/78/525517578.db2.gz MCWRYVUUUWBCFM-BUHFOSPRSA-N 0 0 396.486 6.833 50 30 GKEARN Cc1c2ccccc2sc1CN=Nc1nc(-c2ccccc2Cl)cs1 ZINC000004365992 525519829 /nfs/dbraw/zinc/51/98/29/525519829.db2.gz MFTUXGVIOKIVRA-UFFVCSGVSA-N 0 0 383.929 6.433 50 30 GKEARN Cc1c(/N=C/C=C/c2ccccc2[N+](=O)[O-])cccc1-c1nc2ccccc2o1 ZINC000102419346 525522201 /nfs/dbraw/zinc/52/22/01/525522201.db2.gz SGQXIGCIYIHTPF-CLDIPPNSSA-N 0 0 383.407 6.127 50 30 GKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000013549173 525554275 /nfs/dbraw/zinc/55/42/75/525554275.db2.gz UFBJUBPYXAEIBH-JAIQZWGSSA-N 0 0 377.421 5.801 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018137891 525591279 /nfs/dbraw/zinc/59/12/79/525591279.db2.gz TYSIWLQUMGEXCP-QFIPXVFZSA-N 0 0 380.919 6.179 50 30 GKEARN Cc1ccn2c(/C=N/OCc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000004024653 525606461 /nfs/dbraw/zinc/60/64/61/525606461.db2.gz HVFWLCCZBLOLKI-DHRITJCHSA-N 0 0 393.849 5.653 50 30 GKEARN Cc1ccc(Sc2nc(-c3ccccc3)[nH]c2C=NNc2ccccc2)cc1 ZINC000004002502 525668796 /nfs/dbraw/zinc/66/87/96/525668796.db2.gz WIDMSJKRIJJLJN-LFVJCYFKSA-N 0 0 384.508 5.982 50 30 GKEARN COc1cccc(-c2cc(NC(=Nc3ccc(F)c(Cl)c3)SC)[nH]n2)c1 ZINC000020440280 525697987 /nfs/dbraw/zinc/69/79/87/525697987.db2.gz ATMGXPDLRQVSLD-UHFFFAOYSA-N 0 0 390.871 5.340 50 30 GKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 ZINC000005543154 525743095 /nfs/dbraw/zinc/74/30/95/525743095.db2.gz YJDDTCDTEUITKP-ZRDIBKRKSA-N 0 0 388.850 7.065 50 30 GKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c1 ZINC000013787057 525767927 /nfs/dbraw/zinc/76/79/27/525767927.db2.gz UBVMULCWKMXJGK-UUYOSTAYSA-N 0 0 376.383 5.030 50 30 GKEARN COc1cccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000004828344 525772588 /nfs/dbraw/zinc/77/25/88/525772588.db2.gz BTAKIESSNMIRRE-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN COc1cccc(/C=N\c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000100370656 525777357 /nfs/dbraw/zinc/77/73/57/525777357.db2.gz ZQLRMZWMJVQEQY-QRVIBDJDSA-N 0 0 380.831 5.057 50 30 GKEARN Cc1ccc(-c2nc(C#N)c(N=NCc3cccc(Oc4ccccc4)c3)o2)cc1 ZINC000006032809 525798658 /nfs/dbraw/zinc/79/86/58/525798658.db2.gz AFQBFSPUXVPIPG-WGOQTCKBSA-N 0 0 394.434 5.760 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O ZINC000013758265 525815796 /nfs/dbraw/zinc/81/57/96/525815796.db2.gz AJAUNWQFMXIPSA-WQRHYEAKSA-N 0 0 396.851 5.545 50 30 GKEARN Cc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)o1 ZINC000013787261 525959083 /nfs/dbraw/zinc/95/90/83/525959083.db2.gz PPXGTGIEXPHMMT-JMIUGGIZSA-N 0 0 384.790 5.576 50 30 GKEARN Cc1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)C(C)C)s2)cc1 ZINC000016753141 525963081 /nfs/dbraw/zinc/96/30/81/525963081.db2.gz AAPGLVHLTYUHMD-LPYMAVHISA-N 0 0 378.501 5.159 50 30 GKEARN Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2cccc3ccccc32)cc1 ZINC000033538598 525964290 /nfs/dbraw/zinc/96/42/90/525964290.db2.gz AYUAGQVQJFONOG-FHALBHEESA-N 0 0 387.508 5.002 50 30 GKEARN Cc1ccc(NC2=N[C@@](c3ccccc3)(C(F)(F)F)Oc3ccccc3O2)cc1 ZINC000017186062 525968866 /nfs/dbraw/zinc/96/88/66/525968866.db2.gz FJFQTWNUMOLOMV-OAQYLSRUSA-N 0 0 398.384 5.459 50 30 GKEARN Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c(C)c1 ZINC000032743585 526014923 /nfs/dbraw/zinc/01/49/23/526014923.db2.gz YGNLEBNURWNMIT-PKNBQFBNSA-N 0 0 379.463 5.447 50 30 GKEARN CSc1ccc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)cc1 ZINC000100381190 526019293 /nfs/dbraw/zinc/01/92/93/526019293.db2.gz CLBFXBWOULRSHI-JYRVWZFOSA-N 0 0 395.709 5.386 50 30 GKEARN Cc1cc(-c2csc(NC3=NCCCCC3)n2)c(C)n1Cc1ccccc1 ZINC000002659786 526047578 /nfs/dbraw/zinc/04/75/78/526047578.db2.gz TTZGNSRKWXOYHO-UHFFFAOYSA-N 0 0 378.545 5.470 50 30 GKEARN CSc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004599815 526064588 /nfs/dbraw/zinc/06/45/88/526064588.db2.gz VBJDRBXVDBJKMI-HSZRJFAPSA-N 0 0 399.559 6.762 50 30 GKEARN Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000102422509 526097727 /nfs/dbraw/zinc/09/77/27/526097727.db2.gz JZAFVFRCKNYTRO-SRZZPIQSSA-N 0 0 383.791 5.153 50 30 GKEARN Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1NC(=O)c1ccco1 ZINC000059477047 526098738 /nfs/dbraw/zinc/09/87/38/526098738.db2.gz OECPSOFKUWQWTA-SRZZPIQSSA-N 0 0 399.244 5.059 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009553572 526173261 /nfs/dbraw/zinc/17/32/61/526173261.db2.gz UPSGOGQPPFIFLB-QHCPKHFHSA-N 0 0 375.516 5.283 50 30 GKEARN C[C@@H](C#N)CN(C)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc21 ZINC000032927060 526237069 /nfs/dbraw/zinc/23/70/69/526237069.db2.gz GQJKBQPFVLIGRR-HNNXBMFYSA-N 0 0 385.496 5.016 50 30 GKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)o1 ZINC000004793294 526255381 /nfs/dbraw/zinc/25/53/81/526255381.db2.gz WJROOXULKXSFIU-WPWMEQJKSA-N 0 0 398.506 6.486 50 30 GKEARN Cc1ccc(C)c(/C=C2/S/C(=N/c3ccccc3C(F)(F)F)NC2=O)c1 ZINC000096569931 526257795 /nfs/dbraw/zinc/25/77/95/526257795.db2.gz JUIBLGNWGVVVRQ-MHWRWJLKSA-N 0 0 376.403 5.214 50 30 GKEARN O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000009264203 526300017 /nfs/dbraw/zinc/30/00/17/526300017.db2.gz GPVYLTOMHYCRJK-QHCPKHFHSA-N 0 0 390.483 5.367 50 30 GKEARN Fc1ccc(C2N=NC(=S)N2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000006139402 526317996 /nfs/dbraw/zinc/31/79/96/526317996.db2.gz KELDZOSRPYVEKW-OEAKJJBVSA-N 0 0 390.443 5.047 50 30 GKEARN O=C(CC(c1ccccc1)c1ccccc1)O/N=C/c1c(Cl)cccc1Cl ZINC000002742627 526324369 /nfs/dbraw/zinc/32/43/69/526324369.db2.gz OOLDDTOEFIMEIJ-MFKUBSTISA-N 0 0 398.289 6.093 50 30 GKEARN Oc1ccc(Br)cc1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000013739106 526342015 /nfs/dbraw/zinc/34/20/15/526342015.db2.gz YUAUIPHIWKOMRY-UUYOSTAYSA-N 0 0 377.241 5.007 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1ccccc1-c1nc2ccccc2s1 ZINC000100481637 526354837 /nfs/dbraw/zinc/35/48/37/526354837.db2.gz GOFWGWJJKRCBHF-MFKUBSTISA-N 0 0 380.472 6.573 50 30 GKEARN S=C(N/C(=N/C=C(Cl)Cl)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000017201412 526382786 /nfs/dbraw/zinc/38/27/86/526382786.db2.gz DEFSGJAOXKFHPN-UHFFFAOYSA-N 0 0 384.719 5.350 50 30 GKEARN O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)C1CC1 ZINC000005904467 526413973 /nfs/dbraw/zinc/41/39/73/526413973.db2.gz FJVQTBWTVDMQAV-FSJBWODESA-N 0 0 396.899 5.468 50 30 GKEARN O=C(OCC#CCSc1nc2ccccc2s1)c1cccc2ccccc21 ZINC000002261006 526416332 /nfs/dbraw/zinc/41/63/32/526416332.db2.gz IYVYBQAJXUUQCY-UHFFFAOYSA-N 0 0 389.501 5.402 50 30 GKEARN N#CC(=NNc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000006496223 526428372 /nfs/dbraw/zinc/42/83/72/526428372.db2.gz VMKXDZBCNPCELI-HFTWOUSFSA-N 0 0 398.466 5.956 50 30 GKEARN O=C(ON=C(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000004322352 526433164 /nfs/dbraw/zinc/43/31/64/526433164.db2.gz WNRBINJTFWVTIM-UHFFFAOYSA-N 0 0 398.289 5.992 50 30 GKEARN O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1 ZINC000097400653 526438314 /nfs/dbraw/zinc/43/83/14/526438314.db2.gz XNFLSUDBFXXQJQ-DEDYPNTBSA-N 0 0 392.863 5.889 50 30 GKEARN c1ccc(C/C(=N\N=C(/Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000038167689 526460256 /nfs/dbraw/zinc/46/02/56/526460256.db2.gz HWHDZCPTMRTNPT-QAVVBOBSSA-N 0 0 388.514 6.365 50 30 GKEARN c1ccc(/N=C(Nc2ccccc2)\C(=N\c2ccccc2)Nc2ccccc2)cc1 ZINC000018067317 526460795 /nfs/dbraw/zinc/46/07/95/526460795.db2.gz SZWHQYCEODJJIE-UHFFFAOYSA-N 0 0 390.490 6.671 50 30 GKEARN N#CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000005535671 526463430 /nfs/dbraw/zinc/46/34/30/526463430.db2.gz YOQHBCMYEUYBMM-UHFFFAOYSA-N 0 0 389.311 5.306 50 30 GKEARN N#CCCn1cc(/C=C/c2ccc3ccccc3n2)c(-c2ccc(F)c(F)c2)n1 ZINC000009368158 526466509 /nfs/dbraw/zinc/46/65/09/526466509.db2.gz 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O=C(/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005072264 527591163 /nfs/dbraw/zinc/59/11/63/527591163.db2.gz CEJMODYSVINNIY-JXAWBTAJSA-N 0 0 390.389 5.588 50 30 GKEARN O=C(C=CNc1ccc(I)cc1)c1ccc2ccccc2c1 ZINC000100419170 527598751 /nfs/dbraw/zinc/59/87/51/527598751.db2.gz WLEHQBKIAFFFLC-VAWYXSNFSA-N 0 0 399.231 5.253 50 30 GKEARN O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000004118379 527624246 /nfs/dbraw/zinc/62/42/46/527624246.db2.gz QXKUBCSCYZVBHT-YIXHJXPBSA-N 0 0 397.257 6.109 50 30 GKEARN O=C(/C=C/c1ccccc1OC(=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000013987641 527635734 /nfs/dbraw/zinc/63/57/34/527635734.db2.gz GZWZUJVCFCVHSH-SDNWHVSQSA-N 0 0 386.378 5.687 50 30 GKEARN O=C(/C=C/c1ccco1)C(C(=O)/C=C/c1ccco1)=C1SCCCCS1 ZINC000001086417 527639769 /nfs/dbraw/zinc/63/97/69/527639769.db2.gz BEMNMKSGKDIJNR-FIFLTTCUSA-N 0 0 386.494 5.209 50 30 GKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1 ZINC000005603957 527645833 /nfs/dbraw/zinc/64/58/33/527645833.db2.gz 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ILHFZMYIAVYAFN-UHFFFAOYSA-N 0 0 393.578 5.398 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)Nc1cccc2ccccc21 ZINC000100966068 528123889 /nfs/dbraw/zinc/12/38/89/528123889.db2.gz KWNHOYIQYBWUBW-UHFFFAOYSA-N 0 0 381.604 8.260 50 30 GKEARN CCCCCCCCCCCCNC(=O)c1sc2ccccc2c1Cl ZINC000097942933 528124476 /nfs/dbraw/zinc/12/44/76/528124476.db2.gz GOKJCJZOHXKLST-UHFFFAOYSA-N 0 0 379.997 7.205 50 30 GKEARN CCCCCCCCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000097942935 528126469 /nfs/dbraw/zinc/12/64/69/528126469.db2.gz XSHJYPYTGUBQSQ-HSZRJFAPSA-N 0 0 383.601 6.777 50 30 GKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000097939889 528134391 /nfs/dbraw/zinc/13/43/91/528134391.db2.gz VPJLOADVTAJGRE-SFHVURJKSA-N 0 0 397.515 5.372 50 30 GKEARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2ncccc2C#N)c1 ZINC000426489355 528999230 /nfs/dbraw/zinc/99/92/30/528999230.db2.gz KGURGCKXEXWNFH-JOCHJYFZSA-N 0 0 384.483 5.019 50 30 GKEARN FC(F)(F)c1ccc(OC(C(F)(F)F)C(F)(F)F)c(Br)c1 ZINC000169725678 570784776 /nfs/dbraw/zinc/78/47/76/570784776.db2.gz GQQLWHRLQJUFCG-UHFFFAOYSA-N 0 0 391.027 5.340 50 30 GKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000631018 570212134 /nfs/dbraw/zinc/21/21/34/570212134.db2.gz NLALFYFKSFKNJL-ZBLYBZFDSA-N 0 0 394.518 6.229 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Cl)cc1 ZINC000000663008 570215096 /nfs/dbraw/zinc/21/50/96/570215096.db2.gz NNGLOGDPJVKHKT-PZJWPPBQSA-N 0 0 389.882 5.382 50 30 GKEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000669905 570215432 /nfs/dbraw/zinc/21/54/32/570215432.db2.gz DDDCUOBLTKUYKH-LPYMAVHISA-N 0 0 379.803 5.251 50 30 GKEARN CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CC[C@H](C)C2 ZINC000000677174 570216412 /nfs/dbraw/zinc/21/64/12/570216412.db2.gz NGHQBVPSTMZGGA-KIQCMGJBSA-N 0 0 393.508 5.659 50 30 GKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 ZINC000001441999 570217787 /nfs/dbraw/zinc/21/77/87/570217787.db2.gz APOZECGWNFAEBS-AREMUKBSSA-N 0 0 382.507 5.969 50 30 GKEARN COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1O ZINC000000714491 570219633 /nfs/dbraw/zinc/21/96/33/570219633.db2.gz RAJHMIGRLMUIIW-XMMPIXPASA-N 0 0 399.490 5.864 50 30 GKEARN Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1c(O)ccc2ccccc21 ZINC000000725330 570220786 /nfs/dbraw/zinc/22/07/86/570220786.db2.gz BLBBOAILPDRKCB-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN O=C(C=CNc1ccc(Br)cc1F)c1ccc(Br)cc1 ZINC000000724695 570220833 /nfs/dbraw/zinc/22/08/33/570220833.db2.gz FBORNYUBONKJLC-BQYQJAHWSA-N 0 0 399.057 5.159 50 30 GKEARN Cc1cc(-c2ccc(/N=C/c3cccnc3)c(C)c2)ccc1/N=C/c1cccnc1 ZINC000000725584 570221192 /nfs/dbraw/zinc/22/11/92/570221192.db2.gz RGDQJCKXNWTYLQ-YAGSLNJISA-N 0 0 390.490 6.262 50 30 GKEARN COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1OC ZINC000000727630 570221336 /nfs/dbraw/zinc/22/13/36/570221336.db2.gz WKKCIVQQDFHVRG-DEOSSOPVSA-N 0 0 385.463 5.530 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc2c(c1)OCO2 ZINC000000754936 570222352 /nfs/dbraw/zinc/22/23/52/570222352.db2.gz NQUBFKFTUAFLBN-RUZDIDTESA-N 0 0 397.474 5.878 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000820243 570225178 /nfs/dbraw/zinc/22/51/78/570225178.db2.gz HHYWDJNNVCCUOM-QFIPXVFZSA-N 0 0 398.462 5.949 50 30 GKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccccc1)N2 ZINC000000864939 570227211 /nfs/dbraw/zinc/22/72/11/570227211.db2.gz ICXNYSWSOPJYPJ-VWLOTQADSA-N 0 0 394.474 5.503 50 30 GKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000861126 570227330 /nfs/dbraw/zinc/22/73/30/570227330.db2.gz GVMNFIUECYQYIJ-HSZRJFAPSA-N 0 0 392.499 5.316 50 30 GKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000883179 570228241 /nfs/dbraw/zinc/22/82/41/570228241.db2.gz USDNQVRLHNGZGC-QYBDOPJKSA-N 0 0 396.490 5.675 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 ZINC000011916263 570234422 /nfs/dbraw/zinc/23/44/22/570234422.db2.gz SUMMTGWSGBMDTB-UHFFFAOYSA-N 0 0 379.481 5.169 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(N2CCOCC2)c1 ZINC000048303089 570235186 /nfs/dbraw/zinc/23/51/86/570235186.db2.gz PPTCGECTSVKPTL-CSKARUKUSA-N 0 0 393.870 5.333 50 30 GKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000051366908 570238443 /nfs/dbraw/zinc/23/84/43/570238443.db2.gz OHQOLFYVGAZDOH-MQBMHJJESA-N 0 0 399.947 5.283 50 30 GKEARN C=CCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000012803699 570238522 /nfs/dbraw/zinc/23/85/22/570238522.db2.gz ALSAWTFGSXHQIL-UHFFFAOYSA-N 0 0 379.268 5.543 50 30 GKEARN CC1=Nc2nc3ccccc3n2[C@H](c2ccccc2Cl)C1C(=O)c1ccccc1 ZINC000001069468 570240285 /nfs/dbraw/zinc/24/02/85/570240285.db2.gz WBTHSFJGLHKKHS-JOCHJYFZSA-N 0 0 399.881 5.862 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1 ZINC000001077619 570240937 /nfs/dbraw/zinc/24/09/37/570240937.db2.gz KKUYRVOWKGLJEO-IDISGSTGSA-N 0 0 394.518 6.283 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000006091374 570242537 /nfs/dbraw/zinc/24/25/37/570242537.db2.gz HMTQKGWNSSFDEH-UHFFFAOYSA-N 0 0 383.885 5.769 50 30 GKEARN CC(/C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C)=C/C(=O)ON1C(=O)CCC1=O ZINC000145781818 570246680 /nfs/dbraw/zinc/24/66/80/570246680.db2.gz RUHGNRBGUUGLPD-DBCXDGRUSA-N 0 0 397.515 5.125 50 30 GKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc(C)cc1 ZINC000015636879 570248721 /nfs/dbraw/zinc/24/87/21/570248721.db2.gz BMHAAUBGOJEXFJ-XUTLUUPISA-N 0 0 385.330 5.706 50 30 GKEARN COc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000001152234 570249139 /nfs/dbraw/zinc/24/91/39/570249139.db2.gz WLRAUYPPOSKGBA-CCEZHUSRSA-N 0 0 375.424 5.305 50 30 GKEARN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc2ccccc21 ZINC000016739427 570249762 /nfs/dbraw/zinc/24/97/62/570249762.db2.gz CWZZSEBFLRESRC-FCQUAONHSA-N 0 0 387.464 5.696 50 30 GKEARN C#CC(CC)(CC)NC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12 ZINC000001068251 570251165 /nfs/dbraw/zinc/25/11/65/570251165.db2.gz KBJIWSFHGXKEBO-UHFFFAOYSA-N 0 0 391.902 5.180 50 30 GKEARN COc1cccc(/C=N/c2cccc(C(=O)Nc3cccc4ccccc43)c2)c1O ZINC000001506244 570252390 /nfs/dbraw/zinc/25/23/90/570252390.db2.gz KONSRGQIHAIENV-WGOQTCKBSA-N 0 0 396.446 5.557 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccnc1 ZINC000002391482 570253084 /nfs/dbraw/zinc/25/30/84/570253084.db2.gz NCYNIQUYPFFMFE-UHFFFAOYSA-N 0 0 377.300 5.125 50 30 GKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000002453000 570253489 /nfs/dbraw/zinc/25/34/89/570253489.db2.gz HBWFOFCWWKTXCP-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001199365 570257314 /nfs/dbraw/zinc/25/73/14/570257314.db2.gz SQBJWHNRKHPMAE-AFMDSPMNSA-N 0 0 396.490 5.675 50 30 GKEARN O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000001219357 570258848 /nfs/dbraw/zinc/25/88/48/570258848.db2.gz QIZMSIZOKPIPBG-POICXBNUSA-N 0 0 399.421 5.008 50 30 GKEARN Cc1ccc(C2CC(=O)C(=CNc3ccccc3-c3ccccc3)C(=O)C2)cc1 ZINC000001217277 570258908 /nfs/dbraw/zinc/25/89/08/570258908.db2.gz KLQCOZVOURCKMF-UHFFFAOYSA-N 0 0 381.475 5.674 50 30 GKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000097976926 570261959 /nfs/dbraw/zinc/26/19/59/570261959.db2.gz OQAIIGMMWDKVSY-UHFFFAOYSA-N 0 0 375.553 6.503 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000001467700 570263893 /nfs/dbraw/zinc/26/38/93/570263893.db2.gz CPGOMEAGWOYBAG-CIAFOILYSA-N 0 0 375.409 5.328 50 30 GKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)C[C@@H](C(C)C)OC3 ZINC000001817416 570269003 /nfs/dbraw/zinc/26/90/03/570269003.db2.gz BRACJTICTADLJW-AWEZNQCLSA-N 0 0 379.595 5.433 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c(O)ccc5ccccc54)c3)oc2c1 ZINC000001955369 570270678 /nfs/dbraw/zinc/27/06/78/570270678.db2.gz PIJAOBPZOLLLBO-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN CCOC(=O)c1ccc(N=Cc2ccc(OC(=O)Nc3ccccc3)cc2)cc1 ZINC000002141291 570270655 /nfs/dbraw/zinc/27/06/55/570270655.db2.gz KEDPIJUMEHPCKM-LFVJCYFKSA-N 0 0 388.423 5.225 50 30 GKEARN CC(C)c1ccc([C@H](C=C2C(=O)c3ccccc3C2=O)CC(=O)C(C)(C)C)cc1 ZINC000003121751 570270671 /nfs/dbraw/zinc/27/06/71/570270671.db2.gz CCFPAZSTQSJWBW-LJQANCHMSA-N 0 0 388.507 5.905 50 30 GKEARN S=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Nc1ccccc1 ZINC000001946285 570270745 /nfs/dbraw/zinc/27/07/45/570270745.db2.gz KMAZSXUSFKKTJV-SRZZPIQSSA-N 0 0 390.295 5.574 50 30 GKEARN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)Cc1ccccc1 ZINC000049595344 570270750 /nfs/dbraw/zinc/27/07/50/570270750.db2.gz XPWFVXPFZHLKHB-ZDUSSCGKSA-N 0 0 387.455 5.197 50 30 GKEARN COc1ccc(-c2csc(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000005289663 570270841 /nfs/dbraw/zinc/27/08/41/570270841.db2.gz QHQJIJGXHBPHLD-SSDVNMTOSA-N 0 0 392.311 5.962 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(O)cc1 ZINC000043761269 570271731 /nfs/dbraw/zinc/27/17/31/570271731.db2.gz QIFMHOFITWJMQW-UFFVCSGVSA-N 0 0 378.284 5.081 50 30 GKEARN CCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc21 ZINC000002086467 570274210 /nfs/dbraw/zinc/27/42/10/570274210.db2.gz PGBXCPAGVXPXQC-UHFFFAOYSA-N 0 0 388.555 6.609 50 30 GKEARN CN(C)/C=[NH+]/c1ccccc1Sc1nc2c(cc(Cl)cc2Cl)s1 ZINC000002147643 570276075 /nfs/dbraw/zinc/27/60/75/570276075.db2.gz BRLZJYWXUMTHBS-DJKKODMXSA-N 0 0 382.341 5.976 50 30 GKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Br)cc4)c3)nc2c1 ZINC000002147807 570276155 /nfs/dbraw/zinc/27/61/55/570276155.db2.gz JAKATQGITOYPNW-YDZHTSKRSA-N 0 0 391.268 6.316 50 30 GKEARN N#Cc1c(-c2ccccc2)c[nH]c1Sc1ccccc1C(=O)NCc1ccco1 ZINC000012879303 570276447 /nfs/dbraw/zinc/27/64/47/570276447.db2.gz WDLKKHQEQISXHA-UHFFFAOYSA-N 0 0 399.475 5.228 50 30 GKEARN CCn1c(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2ccccc21 ZINC000002157312 570276726 /nfs/dbraw/zinc/27/67/26/570276726.db2.gz FSGFUVJKHXYHAO-MFKUBSTISA-N 0 0 377.532 6.107 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000006149632 570277557 /nfs/dbraw/zinc/27/75/57/570277557.db2.gz REYKGBQOTALLTB-QFIPXVFZSA-N 0 0 391.511 5.462 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000006149619 570277610 /nfs/dbraw/zinc/27/76/10/570277610.db2.gz REYKGBQOTALLTB-JOCHJYFZSA-N 0 0 391.511 5.462 50 30 GKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1 ZINC000012250956 570278053 /nfs/dbraw/zinc/27/80/53/570278053.db2.gz FVCVAMLZNDFGCD-UHFFFAOYSA-N 0 0 379.872 5.004 50 30 GKEARN CCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000100872066 570278958 /nfs/dbraw/zinc/27/89/58/570278958.db2.gz KVFQWGGYGUJFOC-RGEXLXHISA-N 0 0 387.570 5.567 50 30 GKEARN CCCCCCCc1ccc(-c2c3c(nc(C)c2C#N)-c2ccccc2C3=O)cc1 ZINC000100916127 570279219 /nfs/dbraw/zinc/27/92/19/570279219.db2.gz UXIFKMQPIPBQDC-UHFFFAOYSA-N 0 0 394.518 6.653 50 30 GKEARN O=CC1(C2(C=O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 ZINC000001611606 570280797 /nfs/dbraw/zinc/28/07/97/570280797.db2.gz GLANOOJJBKXTMI-UHFFFAOYSA-N 0 0 386.450 5.318 50 30 GKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000002278739 570280956 /nfs/dbraw/zinc/28/09/56/570280956.db2.gz HVNSIXLLFGCHTG-HHHXNRCGSA-N 0 0 396.534 6.359 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(Cl)c1 ZINC000002306335 570281890 /nfs/dbraw/zinc/28/18/90/570281890.db2.gz XOWCCZFXZDVWJI-DEOSSOPVSA-N 0 0 387.910 6.803 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(Cl)c1Cl ZINC000002337674 570283382 /nfs/dbraw/zinc/28/33/82/570283382.db2.gz RERDGJDHAPOVAN-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN N#Cc1cccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000023323831 570284527 /nfs/dbraw/zinc/28/45/27/570284527.db2.gz YJOGFXLUOYMXOS-JOCHJYFZSA-N 0 0 387.870 5.391 50 30 GKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002388893 570285629 /nfs/dbraw/zinc/28/56/29/570285629.db2.gz AHLFIAWVPGWFCV-UHFFFAOYSA-N 0 0 375.512 6.728 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C12 ZINC000002420612 570286518 /nfs/dbraw/zinc/28/65/18/570286518.db2.gz QONOCFSDGCFEPR-QFIPXVFZSA-N 0 0 375.880 6.207 50 30 GKEARN Cc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(C)c(C)c1C ZINC000002444917 570287216 /nfs/dbraw/zinc/28/72/16/570287216.db2.gz DQTHXMFGUFCFDV-AREMUKBSSA-N 0 0 397.543 6.787 50 30 GKEARN CCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O ZINC000002504745 570288812 /nfs/dbraw/zinc/28/88/12/570288812.db2.gz VQMHSKWEJGIXGA-UHFFFAOYSA-N 0 0 393.575 6.898 50 30 GKEARN S=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)Nc1ccccc1 ZINC000002542638 570290384 /nfs/dbraw/zinc/29/03/84/570290384.db2.gz PDFUOPLAWAAVMC-OEAKJJBVSA-N 0 0 395.915 5.240 50 30 GKEARN COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2ccccc2)cc1 ZINC000004822518 570290871 /nfs/dbraw/zinc/29/08/71/570290871.db2.gz JGDUZCSRDZKMLI-QNGOZBTKSA-N 0 0 387.460 5.172 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1c(Cl)cccc1Cl ZINC000002588967 570291938 /nfs/dbraw/zinc/29/19/38/570291938.db2.gz LEFPZYTXRPRXEN-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CCCNC(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 ZINC000023326238 570293432 /nfs/dbraw/zinc/29/34/32/570293432.db2.gz ZFNABZJPCLSFND-UHFFFAOYSA-N 0 0 399.538 5.286 50 30 GKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000021660302 570294179 /nfs/dbraw/zinc/29/41/79/570294179.db2.gz HGEDOJKAJDKNKU-MRXNPFEDSA-N 0 0 377.271 5.490 50 30 GKEARN CCCCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000002744939 570297640 /nfs/dbraw/zinc/29/76/40/570297640.db2.gz VPYXSNIDWJIFDK-UHFFFAOYSA-N 0 0 378.516 6.284 50 30 GKEARN O=C(N/C(=N/c1ccccc1)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000006923345 570298252 /nfs/dbraw/zinc/29/82/52/570298252.db2.gz DKLZKUJHCAFYMN-UHFFFAOYSA-N 0 0 384.266 5.523 50 30 GKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(Cl)cc1Cl ZINC000006192638 570299645 /nfs/dbraw/zinc/29/96/45/570299645.db2.gz IAHBOPSLHALGII-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 ZINC000027664007 570308545 /nfs/dbraw/zinc/30/85/45/570308545.db2.gz YQCBHSRBZVROFT-UHFFFAOYSA-N 0 0 383.900 5.813 50 30 GKEARN C=CCN(C(=O)c1cccc(SCC#N)c1)c1nc(-c2ccccc2)cs1 ZINC000175518571 570311973 /nfs/dbraw/zinc/31/19/73/570311973.db2.gz MSPJWFJQOQSGEX-UHFFFAOYSA-N 0 0 391.521 5.259 50 30 GKEARN O=C(Nc1ccc(Cl)c(Cl)c1)ON=C1c2ccccc2-c2ccccc21 ZINC000002900114 570317514 /nfs/dbraw/zinc/31/75/14/570317514.db2.gz LNBLUXJLCNEKJQ-UHFFFAOYSA-N 0 0 383.234 5.975 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F ZINC000006187057 570318070 /nfs/dbraw/zinc/31/80/70/570318070.db2.gz ZTYCETUUXNPMDN-NRFANRHFSA-N 0 0 395.474 5.293 50 30 GKEARN CCOc1cc(Br)c(F)cc1NC(=O)c1oc(CC(C)C)nc1C ZINC000328594872 570319616 /nfs/dbraw/zinc/31/96/16/570319616.db2.gz FCZHEDPUDDGBED-UHFFFAOYSA-N 0 0 399.260 5.118 50 30 GKEARN CSc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000002999961 570325476 /nfs/dbraw/zinc/32/54/76/570325476.db2.gz FCBZJEZONDCHHV-VWLOTQADSA-N 0 0 399.559 6.871 50 30 GKEARN COc1ccc([C@H](c2ccc(Cl)cc2)[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000003086248 570328089 /nfs/dbraw/zinc/32/80/89/570328089.db2.gz SPFDCCGTBRZWAV-YADHBBJMSA-N 0 0 382.290 6.441 50 30 GKEARN N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000120113826 570328938 /nfs/dbraw/zinc/32/89/38/570328938.db2.gz AAEISHXWAZCFSV-UHFFFAOYSA-N 0 0 386.835 5.362 50 30 GKEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O ZINC000524731746 570329264 /nfs/dbraw/zinc/32/92/64/570329264.db2.gz JFSROBHDDNXKNU-UMUMUWHJSA-N 0 0 390.479 5.865 50 30 biogenic GKEARN CCCOc1ccccc1/C=N/NC(=S)Nc1cc(Cl)ccc1Cl ZINC000003134134 570329970 /nfs/dbraw/zinc/32/99/70/570329970.db2.gz BHOYVQGVASZOQG-RGVLZGJSSA-N 0 0 382.316 5.103 50 30 GKEARN CCCCCCC#Cc1cncc(-c2nnc(SCc3ccccc3)n2C)c1 ZINC000003138224 570330345 /nfs/dbraw/zinc/33/03/45/570330345.db2.gz AQWTXPJMHNDSQP-UHFFFAOYSA-N 0 0 390.556 5.491 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccc(Cl)cc1Cl ZINC000003138134 570330379 /nfs/dbraw/zinc/33/03/79/570330379.db2.gz LXKBGZGYHRXSIO-JMOSNPTESA-N 0 0 381.258 6.393 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000003147772 570331110 /nfs/dbraw/zinc/33/11/10/570331110.db2.gz GPHXFXSCEKRHEC-MRXNPFEDSA-N 0 0 379.759 5.580 50 30 GKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=C/c3ccc([N+](=O)[O-])s3)cc2)s1 ZINC000003161921 570331185 /nfs/dbraw/zinc/33/11/85/570331185.db2.gz FNEUBHACFKZCRZ-BEQMOXJMSA-N 0 0 386.414 5.127 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000003147796 570331228 /nfs/dbraw/zinc/33/12/28/570331228.db2.gz IYMOVDTXQMMZRX-MRXNPFEDSA-N 0 0 379.759 5.580 50 30 GKEARN COc1ccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc12 ZINC000003194502 570332340 /nfs/dbraw/zinc/33/23/40/570332340.db2.gz OIBMOGZVSGHSTR-JVWAILMASA-N 0 0 399.877 6.483 50 30 GKEARN N#Cc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000006208583 570342245 /nfs/dbraw/zinc/34/22/45/570342245.db2.gz RZFMONJYONAJRO-HXUWFJFHSA-N 0 0 399.881 5.255 50 30 GKEARN CN(C)c1ccc(C(=Nc2ccccc2)NN=Cc2ccc(Cl)cc2)cc1 ZINC000034870453 570342266 /nfs/dbraw/zinc/34/22/66/570342266.db2.gz BMZPQDHSBSKONL-UHFFFAOYSA-N 0 0 376.891 5.299 50 30 GKEARN O=C1/C(=C/c2ccc(OC(F)F)cc2)CC/C1=C\c1ccc(OC(F)F)cc1 ZINC000006221073 570343799 /nfs/dbraw/zinc/34/37/99/570343799.db2.gz TVFGKWKGQNFDIA-JOBJLJCHSA-N 0 0 392.348 5.719 50 30 GKEARN N#Cc1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCC2 ZINC000006226621 570344426 /nfs/dbraw/zinc/34/44/26/570344426.db2.gz LJDNDAVSTCMAQP-UHFFFAOYSA-N 0 0 397.297 5.276 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(C)o3)sc2C1 ZINC000035396073 570348155 /nfs/dbraw/zinc/34/81/55/570348155.db2.gz IVPAZHHPOHGJSP-ZHUYAKLQSA-N 0 0 382.529 5.714 50 30 GKEARN O=C(c1ccccc1)C1=C2Sc3ccccc3N2C[C@H](C(=O)c2ccccc2)C1 ZINC000003648536 570349607 /nfs/dbraw/zinc/34/96/07/570349607.db2.gz QGFTUSWBZIAHQN-LJQANCHMSA-N 0 0 397.499 5.596 50 30 GKEARN S=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)Nc1ccccc1 ZINC000003658795 570349704 /nfs/dbraw/zinc/34/97/04/570349704.db2.gz XJKAJCOPVXYXDX-OEAKJJBVSA-N 0 0 395.915 5.240 50 30 GKEARN N#CCSc1sc(C#N)c(NC(=O)c2ccccc2)c1-c1ccccc1 ZINC000004014198 570354444 /nfs/dbraw/zinc/35/44/44/570354444.db2.gz JOCODXTYJXXHSR-UHFFFAOYSA-N 0 0 375.478 5.155 50 30 aggregator GKEARN C=CCSC1=N/C(=C/c2ccc(CC)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883162 570355856 /nfs/dbraw/zinc/35/58/56/570355856.db2.gz YWKXQCMKAMYWEI-XMHGGMMESA-N 0 0 396.943 5.874 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000004883108 570355916 /nfs/dbraw/zinc/35/59/16/570355916.db2.gz YTDLTKCKOIGRJP-HKWRFOASSA-N 0 0 378.497 5.057 50 30 GKEARN Cc1ccc(C=NNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 ZINC000004052692 570355968 /nfs/dbraw/zinc/35/59/68/570355968.db2.gz DVMZDTONNOJQIA-YCPBAFNGSA-N 0 0 398.310 5.422 50 30 GKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004899218 570358663 /nfs/dbraw/zinc/35/86/63/570358663.db2.gz NGSNJSSGLRAOBF-ANTKNQIZSA-N 0 0 379.529 5.019 50 30 GKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000004899354 570358776 /nfs/dbraw/zinc/35/87/76/570358776.db2.gz XAXZJBPFFIGWMZ-PTHMFHIQSA-N 0 0 393.556 5.328 50 30 GKEARN C=CCSc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)c2cc(C)c(C)cc2n1 ZINC000004904005 570361015 /nfs/dbraw/zinc/36/10/15/570361015.db2.gz RQEKGYCDNJDHRN-JXMROGBWSA-N 0 0 377.469 5.603 50 30 GKEARN Cc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004205052 570363000 /nfs/dbraw/zinc/36/30/00/570363000.db2.gz BHKBOXPKVWDNJR-HXUWFJFHSA-N 0 0 399.494 5.087 50 30 GKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000004910641 570363098 /nfs/dbraw/zinc/36/30/98/570363098.db2.gz ZUHJQWILXLUPQH-RDSDJNLHSA-N 0 0 399.947 5.364 50 30 GKEARN C=CCOc1ccc2ccccc2c1/C=N/OCc1c(Cl)cccc1Cl ZINC000006293497 570363882 /nfs/dbraw/zinc/36/38/82/570363882.db2.gz QHSODXKZYFCZGN-ZMOGYAJESA-N 0 0 386.278 6.262 50 30 GKEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1cccc2ccccc12 ZINC000004914715 570364148 /nfs/dbraw/zinc/36/41/48/570364148.db2.gz MPHAHWLFVVSQTN-TXINLPKESA-N 0 0 387.508 5.002 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004918439 570365775 /nfs/dbraw/zinc/36/57/75/570365775.db2.gz HTSQXZDHJSRQEX-GGAORHGYSA-N 0 0 380.459 5.268 50 30 GKEARN CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000118915860 570367311 /nfs/dbraw/zinc/36/73/11/570367311.db2.gz RVYRVPOBLIJZMR-AJFKJGJJSA-N 0 0 394.603 6.207 50 30 GKEARN CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C ZINC000118915866 570367337 /nfs/dbraw/zinc/36/73/37/570367337.db2.gz HLNMGFKCMXUKSU-AJFKJGJJSA-N 0 0 394.603 6.207 50 30 GKEARN Cc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000023634368 570367433 /nfs/dbraw/zinc/36/74/33/570367433.db2.gz SNBMECLSJNBGEI-JTUXUYRKSA-N 0 0 398.531 5.668 50 30 GKEARN CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)CCCC4)c(C)c1 ZINC000004314934 570367449 /nfs/dbraw/zinc/36/74/49/570367449.db2.gz CMTPOYMJJBENKB-DHRITJCHSA-N 0 0 393.560 5.171 50 30 GKEARN Brc1ccc(-c2csc(N=NC3Cc4ccccc4C3)n2)cc1 ZINC000004323932 570367796 /nfs/dbraw/zinc/36/77/96/570367796.db2.gz GGLAVQDBGDBMRM-UHFFFAOYSA-N 0 0 384.302 5.139 50 30 GKEARN Cc1cc(-c2ccccc2)nc(N=NC(C)c2ccc(Br)cc2)n1 ZINC000004348592 570369926 /nfs/dbraw/zinc/36/99/26/570369926.db2.gz UOZSJPIFNABJRP-OEAKJJBVSA-N 0 0 381.277 5.051 50 30 GKEARN Cc1cccc2cc(/C=C/C(=O)c3ccc(Br)cc3)c(Cl)nc12 ZINC000004349938 570370338 /nfs/dbraw/zinc/37/03/38/570370338.db2.gz PDIGXXGWSJSGOY-JXMROGBWSA-N 0 0 386.676 5.855 50 30 GKEARN CC(C)(O)C#Cc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000004362712 570371016 /nfs/dbraw/zinc/37/10/16/570371016.db2.gz WHVLHSVHBIQKCT-SSDVNMTOSA-N 0 0 381.690 5.215 50 30 GKEARN CN(/N=C/c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000004389856 570373009 /nfs/dbraw/zinc/37/30/09/570373009.db2.gz JBPAUQRTSIHYLF-GEVRCRHISA-N 0 0 382.600 5.531 50 30 GKEARN O=C(/C=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000004390133 570373059 /nfs/dbraw/zinc/37/30/59/570373059.db2.gz LURUFXJPLBZYNP-ZHACJKMWSA-N 0 0 392.829 6.983 50 30 GKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=C1CCSc2ccc(F)cc21 ZINC000004390394 570373146 /nfs/dbraw/zinc/37/31/46/570373146.db2.gz SBKDUYMFSFCRBB-CIAFOILYSA-N 0 0 385.342 5.065 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257345424 570374739 /nfs/dbraw/zinc/37/47/39/570374739.db2.gz AKTPAJMBVLOPJG-COHDLUESSA-N 0 0 386.664 7.485 50 30 GKEARN N#CCCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1ccccc1 ZINC000004938435 570374977 /nfs/dbraw/zinc/37/49/77/570374977.db2.gz ZMTCAQNCKJXBRJ-UHFFFAOYSA-N 0 0 391.883 5.663 50 30 GKEARN C=CCN(C(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O)c1ccccc1 ZINC000004939158 570375240 /nfs/dbraw/zinc/37/52/40/570375240.db2.gz GOYNEOJJNQRJHE-UHFFFAOYSA-N 0 0 388.492 5.069 50 30 GKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000008337860 570375527 /nfs/dbraw/zinc/37/55/27/570375527.db2.gz VLMYZSOLBAMREF-ZHACJKMWSA-N 0 0 383.373 5.049 50 30 GKEARN C[C@@H]1CSC(=C(C(=O)/C=C/c2ccccc2)C(=O)/C=C/c2ccccc2)S1 ZINC000008383511 570375749 /nfs/dbraw/zinc/37/57/49/570375749.db2.gz XRWQUKDQVXCKBD-SJDJNAOBSA-N 0 0 392.545 5.632 50 30 GKEARN C=CCOc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000004545167 570383301 /nfs/dbraw/zinc/38/33/01/570383301.db2.gz JGIQXKPFWSHWML-YBFXNURJSA-N 0 0 388.290 5.070 50 30 GKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000004550156 570383750 /nfs/dbraw/zinc/38/37/50/570383750.db2.gz XKARAJRSGYUTGF-RUZDIDTESA-N 0 0 388.511 5.692 50 30 GKEARN Clc1ccc(Cl)c(CN=Nc2nc(-c3ccccc3)cs2)c1Cl ZINC000004567555 570385070 /nfs/dbraw/zinc/38/50/70/570385070.db2.gz OBTHVHTWXGJYFS-ZBKNUEDVSA-N 0 0 382.703 6.216 50 30 GKEARN CN(/N=C/c1ccccc1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004595675 570386734 /nfs/dbraw/zinc/38/67/34/570386734.db2.gz PCQKUSDAWPDFHI-YZSQISJMSA-N 0 0 382.442 5.420 50 30 GKEARN Cc1c(/N=C/c2c(O)ccc3ccccc32)cccc1-c1nc2ccccc2o1 ZINC000004603977 570386867 /nfs/dbraw/zinc/38/68/67/570386867.db2.gz NXUWKQPMOSHKSE-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1c[nH]c2ccccc12 ZINC000004975228 570387224 /nfs/dbraw/zinc/38/72/24/570387224.db2.gz JEEDTFSNKVHVEP-SXGWCWSVSA-N 0 0 387.386 5.078 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000004608393 570387370 /nfs/dbraw/zinc/38/73/70/570387370.db2.gz OIRWWQGCTMWMLA-JOCHJYFZSA-N 0 0 380.875 5.257 50 30 GKEARN CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000135743841 570388226 /nfs/dbraw/zinc/38/82/26/570388226.db2.gz AGNGGBVHXRJUQV-RXVVDRJESA-N 0 0 393.531 5.659 50 30 GKEARN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccccc2)C1(C#N)C#N ZINC000004619129 570388283 /nfs/dbraw/zinc/38/82/83/570388283.db2.gz JWDRLCSIVQWUDO-ZLNRFVROSA-N 0 0 395.506 5.012 50 30 GKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004632171 570389050 /nfs/dbraw/zinc/38/90/50/570389050.db2.gz WCTQWIODOGMFPF-QHCPKHFHSA-N 0 0 395.462 5.217 50 30 GKEARN CC(=O)Nc1sc(N=NCc2cccc(Cl)c2)nc1-c1ccc(C)cc1 ZINC000004981248 570389253 /nfs/dbraw/zinc/38/92/53/570389253.db2.gz CHFQEMZTNAZKJV-SRZZPIQSSA-N 0 0 384.892 5.176 50 30 GKEARN CCCCOc1ccc(CN=Nc2cc(C)nc(NCc3ccccc3)n2)cc1 ZINC000004980540 570389375 /nfs/dbraw/zinc/38/93/75/570389375.db2.gz UXSTXDVLVZFBGI-KOEQRZSOSA-N 0 0 389.503 5.022 50 30 GKEARN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 ZINC000004651569 570389711 /nfs/dbraw/zinc/38/97/11/570389711.db2.gz UJLUQXYREFDZQR-INCSKIAMSA-N 0 0 390.502 5.863 50 30 GKEARN C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(CC)C2=O)c2ccccc21 ZINC000004661089 570390728 /nfs/dbraw/zinc/39/07/28/570390728.db2.gz AXNQPNLGISYTIH-NVZLDUMVSA-N 0 0 387.508 5.451 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(F)cc4)c3c2C1 ZINC000004680384 570392590 /nfs/dbraw/zinc/39/25/90/570392590.db2.gz JWXYOWBUMUDXNB-PZIWGWIQSA-N 0 0 396.535 5.818 50 30 GKEARN N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1Cl ZINC000004689348 570393474 /nfs/dbraw/zinc/39/34/74/570393474.db2.gz ZBXHRSUXYGQWHB-UHFFFAOYSA-N 0 0 395.871 5.400 50 30 GKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)o1 ZINC000005003573 570393577 /nfs/dbraw/zinc/39/35/77/570393577.db2.gz FGDGRPNXDKNZDB-JLHYYAGUSA-N 0 0 388.854 5.990 50 30 GKEARN O=C(Nc1cccc(Cl)c1)O/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000004697311 570394292 /nfs/dbraw/zinc/39/42/92/570394292.db2.gz DDTREYQIOMDWCG-ARCUFYBBSA-N 0 0 392.842 5.817 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 ZINC000004725152 570398213 /nfs/dbraw/zinc/39/82/13/570398213.db2.gz CMTFATSEPJGYGC-RMKNXTFCSA-N 0 0 388.206 6.058 50 30 GKEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000004736636 570399554 /nfs/dbraw/zinc/39/95/54/570399554.db2.gz AGVGFWUCZCIWPJ-XMMPIXPASA-N 0 0 383.495 5.443 50 30 GKEARN N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccccc3C#N)cc1)CCCC2 ZINC000004739266 570400755 /nfs/dbraw/zinc/40/07/55/570400755.db2.gz QFJWHUKZSGYDQU-JFLMPSFJSA-N 0 0 397.503 5.700 50 30 GKEARN CC(C)CN(CC(C)C)C(=Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000006364465 570401712 /nfs/dbraw/zinc/40/17/12/570401712.db2.gz PVVFUCUKJAOPFD-UHFFFAOYSA-N 0 0 398.594 7.163 50 30 GKEARN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004747084 570402114 /nfs/dbraw/zinc/40/21/14/570402114.db2.gz JKPNFIOHOVIGIE-FNZWTVRRSA-N 0 0 397.543 6.655 50 30 GKEARN C=C(C)CSc1nc(SCCC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000005047234 570405793 /nfs/dbraw/zinc/40/57/93/570405793.db2.gz QLVZOPVUOBNNCO-UHFFFAOYSA-N 0 0 380.604 5.713 50 30 GKEARN CCc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794622 570405997 /nfs/dbraw/zinc/40/59/97/570405997.db2.gz SJMHVMZLOZTLAP-HSZRJFAPSA-N 0 0 391.511 5.467 50 30 GKEARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794653 570406031 /nfs/dbraw/zinc/40/60/31/570406031.db2.gz FTRWDRQLJKNMIC-FQEVSTJZSA-N 0 0 397.902 5.558 50 30 GKEARN CCc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794624 570406098 /nfs/dbraw/zinc/40/60/98/570406098.db2.gz SJMHVMZLOZTLAP-QHCPKHFHSA-N 0 0 391.511 5.467 50 30 GKEARN CCOCCC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000004806290 570406411 /nfs/dbraw/zinc/40/64/11/570406411.db2.gz KBWCODMSLSTRNF-KRWDZBQOSA-N 0 0 391.298 5.322 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000004809603 570407059 /nfs/dbraw/zinc/40/70/59/570407059.db2.gz FNYGJENOJHPYQU-YEJXKQKISA-N 0 0 387.464 5.107 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000004832915 570409486 /nfs/dbraw/zinc/40/94/86/570409486.db2.gz IDRPMEMPDBTVTR-CTNGQTDRSA-N 0 0 387.523 5.297 50 30 GKEARN Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006425300 570411895 /nfs/dbraw/zinc/41/18/95/570411895.db2.gz NHXSZVSEUSLMCG-UHFFFAOYSA-N 0 0 377.827 5.172 50 30 GKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000035678389 570412659 /nfs/dbraw/zinc/41/26/59/570412659.db2.gz VFYSTCQWVDOPQD-MBNUYKHQSA-N 0 0 390.527 5.036 50 30 GKEARN CCOc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1O ZINC000004859470 570413388 /nfs/dbraw/zinc/41/33/88/570413388.db2.gz TXYSCNYDYNITQA-XMHGGMMESA-N 0 0 399.446 5.664 50 30 GKEARN CN(/N=C/c1sc2ccccc2c1OC(=O)c1ccco1)c1ccccc1 ZINC000004859524 570413438 /nfs/dbraw/zinc/41/34/38/570413438.db2.gz UJMOZSXDGIETKY-HYARGMPZSA-N 0 0 376.437 5.184 50 30 GKEARN CC1(C)CC(=O)C(=C2C=C(c3ccccc3)C=C(c3ccccc3)S2)C(=O)C1 ZINC000005111290 570419577 /nfs/dbraw/zinc/41/95/77/570419577.db2.gz KRMWQLULLPIKIP-UHFFFAOYSA-N 0 0 386.516 6.070 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccncc4)c3c2C1 ZINC000004953899 570419775 /nfs/dbraw/zinc/41/97/75/570419775.db2.gz SFIVXSRGPVBGOK-JOBSNELWSA-N 0 0 393.560 5.464 50 30 GKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccnc1 ZINC000004973547 570420370 /nfs/dbraw/zinc/42/03/70/570420370.db2.gz OKTWOJXQQNOQNT-GKVSMKOHSA-N 0 0 397.478 5.070 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973575 570420650 /nfs/dbraw/zinc/42/06/50/570420650.db2.gz OWVQFWZYKUIPPK-OSPHWJPCSA-N 0 0 385.442 5.200 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004973551 570420704 /nfs/dbraw/zinc/42/07/04/570420704.db2.gz JIXXSAROIHSYJS-WNSKOXEYSA-N 0 0 390.870 5.913 50 30 GKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000004973590 570420733 /nfs/dbraw/zinc/42/07/33/570420733.db2.gz UMIYXWUXIGYUBO-NSYGIPOTSA-N 0 0 399.494 5.325 50 30 GKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000004973597 570420735 /nfs/dbraw/zinc/42/07/35/570420735.db2.gz ZTSCBIDDEVDIAB-LFVRLGFBSA-N 0 0 390.870 5.913 50 30 GKEARN Clc1cc(Cl)c(N=NCc2ccc(Br)cc2)c(Cl)c1 ZINC000004989968 570422005 /nfs/dbraw/zinc/42/20/05/570422005.db2.gz SQKBGRKAPCCBOF-CNHKJKLMSA-N 0 0 378.484 5.855 50 30 GKEARN O=[N+]([O-])c1c(-c2ccccc2)nc(N=NCc2ccccc2)nc1-c1ccccc1 ZINC000004989885 570422069 /nfs/dbraw/zinc/42/20/69/570422069.db2.gz NKADSMIZHFGZGN-LFVJCYFKSA-N 0 0 395.422 5.165 50 30 GKEARN CC(C)c1ccc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004998615 570422661 /nfs/dbraw/zinc/42/26/61/570422661.db2.gz OWYMFDGVRRISII-UHFFFAOYSA-N 0 0 378.497 5.058 50 30 GKEARN C=CCn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047487 570422759 /nfs/dbraw/zinc/42/27/59/570422759.db2.gz NEPSIYSEHPQFLT-UHFFFAOYSA-N 0 0 396.559 7.004 50 30 GKEARN Fc1ccccc1COc1cccc(CN=NC(=S)Nc2ccccc2)c1 ZINC000001789321 570424718 /nfs/dbraw/zinc/42/47/18/570424718.db2.gz SBDVGMGOOADSGK-OEAKJJBVSA-N 0 0 379.460 5.137 50 30 GKEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005143743 570426172 /nfs/dbraw/zinc/42/61/72/570426172.db2.gz IXOPAVIKEWFSFY-UUYOSTAYSA-N 0 0 394.829 5.983 50 30 GKEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 ZINC000005061132 570427494 /nfs/dbraw/zinc/42/74/94/570427494.db2.gz IPJBEYMNCBXNPW-CSKARUKUSA-N 0 0 398.212 5.513 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc(O)c4)c3c2C1 ZINC000005063364 570427523 /nfs/dbraw/zinc/42/75/23/570427523.db2.gz LBJIJJHEFFVDTQ-HURLIOHXSA-N 0 0 394.544 5.384 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000005061732 570427540 /nfs/dbraw/zinc/42/75/40/570427540.db2.gz YXFSTVHDFBILBL-ITGJNFKXSA-N 0 0 380.871 5.216 50 30 aggregator GKEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000005061735 570427604 /nfs/dbraw/zinc/42/76/04/570427604.db2.gz YXFSTVHDFBILBL-OFPNUDFGSA-N 0 0 380.871 5.216 50 30 aggregator GKEARN CC(C)(C)c1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(C(C)(C)C)c1O ZINC000005061328 570427614 /nfs/dbraw/zinc/42/76/14/570427614.db2.gz DEZSFPTZBWNNEW-KBKYJPHKSA-N 0 0 393.453 5.847 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000005090764 570428689 /nfs/dbraw/zinc/42/86/89/570428689.db2.gz BUBOLLTWIXGDEY-SIBVEZHUSA-N 0 0 396.490 5.680 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000005175256 570430731 /nfs/dbraw/zinc/43/07/31/570430731.db2.gz KJEBBAXEGQXRET-HSZRJFAPSA-N 0 0 392.474 5.379 50 30 GKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=C(C)C[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000005191724 570431164 /nfs/dbraw/zinc/43/11/64/570431164.db2.gz BIVQNVIAAXENRN-JNUSALFOSA-N 0 0 384.560 5.786 50 30 GKEARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(OC(F)F)cc1 ZINC000011837050 570437576 /nfs/dbraw/zinc/43/75/76/570437576.db2.gz RIUFMFUBTNNRMV-UHFFFAOYSA-N 0 0 390.361 5.171 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(C)cc4)c3c2C1 ZINC000005501423 570442889 /nfs/dbraw/zinc/44/28/89/570442889.db2.gz RMFAIITWRCYPAS-FCLYZYNOSA-N 0 0 392.572 5.987 50 30 GKEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccc(Cl)cc3)nc12 ZINC000027795811 570443565 /nfs/dbraw/zinc/44/35/65/570443565.db2.gz SDUAYQFQKHZURB-ZVHZXABRSA-N 0 0 388.858 5.151 50 30 GKEARN COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000001916319 570446788 /nfs/dbraw/zinc/44/67/88/570446788.db2.gz LCQGGUTWNRRKCG-UHFFFAOYSA-N 0 0 394.883 5.206 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000011916272 570447263 /nfs/dbraw/zinc/44/72/63/570447263.db2.gz FOCZGFNBNHLWTC-UHFFFAOYSA-N 0 0 378.859 5.147 50 30 GKEARN CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000001948879 570450858 /nfs/dbraw/zinc/45/08/58/570450858.db2.gz JXVCTNRSLMYWEV-WBILBPDKSA-N 0 0 393.914 6.606 50 30 GKEARN Fc1ccc(COc2ccc(CN=NC(=S)Nc3ccccc3)cc2)cc1 ZINC000001969717 570451556 /nfs/dbraw/zinc/45/15/56/570451556.db2.gz ZWEZPCRJJTXFPO-OEAKJJBVSA-N 0 0 379.460 5.137 50 30 GKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2cccc(Cl)c2)n1 ZINC000028467599 570460002 /nfs/dbraw/zinc/46/00/02/570460002.db2.gz FEVQPSCLUFCXFS-UFFVCSGVSA-N 0 0 381.844 5.016 50 30 GKEARN Cc1ccc(NC(=O)c2ccc(N=NC3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000028615457 570462010 /nfs/dbraw/zinc/46/20/10/570462010.db2.gz KUYJRVDKGSMKAV-ACNSNUFOSA-N 0 0 380.448 5.134 50 30 GKEARN Cc1cc(C(=O)/C=C\c2ccc(COc3ccc(Cl)cc3Cl)o2)n(C)n1 ZINC000006527847 570466298 /nfs/dbraw/zinc/46/62/98/570466298.db2.gz LZLSFNWAYSKZOC-SREVYHEPSA-N 0 0 391.254 5.103 50 30 GKEARN N#Cc1cccc(C#N)c1-c1nc2c([nH]1)c1ccccc1c1cc(Cl)ccc21 ZINC000029136213 570469282 /nfs/dbraw/zinc/46/92/82/570469282.db2.gz BVFLHOOKHPFDCT-UHFFFAOYSA-N 0 0 378.822 5.933 50 30 in-vitro GKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000780077 570479817 /nfs/dbraw/zinc/47/98/17/570479817.db2.gz BHAKLMWJDKFNLD-FQEVSTJZSA-N 0 0 379.500 5.509 50 30 GKEARN COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000006441299 570480346 /nfs/dbraw/zinc/48/03/46/570480346.db2.gz ZWDNYGGNTDNCMO-NTUHNPAUSA-N 0 0 378.855 5.824 50 30 GKEARN C=CCN(C(=O)C1CCC1)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000006580632 570480918 /nfs/dbraw/zinc/48/09/18/570480918.db2.gz GSSMAPXKDWPFPJ-UHFFFAOYSA-N 0 0 378.497 5.291 50 30 GKEARN C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000006585278 570485530 /nfs/dbraw/zinc/48/55/30/570485530.db2.gz DHQBILYMWDKISZ-NSHDSACASA-N 0 0 381.332 5.761 50 30 GKEARN CCCCCCCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 ZINC000002441146 570485868 /nfs/dbraw/zinc/48/58/68/570485868.db2.gz QODRYPLUTRUZHY-UHFFFAOYSA-N 0 0 380.440 5.361 50 30 GKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)nc21 ZINC000003115377 570485909 /nfs/dbraw/zinc/48/59/09/570485909.db2.gz XQPFVDPUOZIFJX-YDZHTSKRSA-N 0 0 391.268 6.316 50 30 GKEARN CCCCCCCc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002027982 570488993 /nfs/dbraw/zinc/48/89/93/570488993.db2.gz YKBCFEUIUICTLQ-UHFFFAOYSA-N 0 0 381.501 6.293 50 30 GKEARN CCCCCCc1cc2cc(/C(C)=N/Nc3ccccc3)c(=O)oc2cc1O ZINC000005171544 570491455 /nfs/dbraw/zinc/49/14/55/570491455.db2.gz QFHIMJRJDRVWRK-LFVJCYFKSA-N 0 0 378.472 5.458 50 30 biogenic GKEARN COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000005173349 570492409 /nfs/dbraw/zinc/49/24/09/570492409.db2.gz KFEVJYYZZGSCEE-YDZHTSKRSA-N 0 0 396.830 5.304 50 30 GKEARN Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1c(O)ccc2ccccc21 ZINC000005174270 570492805 /nfs/dbraw/zinc/49/28/05/570492805.db2.gz JQFGFUVYTWMJIR-CVKSISIWSA-N 0 0 394.499 6.881 50 30 GKEARN COc1ccc(CN=Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000016692968 570494802 /nfs/dbraw/zinc/49/48/02/570494802.db2.gz UENXHOBFOZYRKO-UHFFFAOYSA-N 0 0 385.492 5.932 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000000854412 570495616 /nfs/dbraw/zinc/49/56/16/570495616.db2.gz FNXJVTNJDQJRSP-UHFFFAOYSA-N 0 0 397.861 5.806 50 30 GKEARN Cc1cccc(-c2nnc(SCc3ccccc3C#N)n2Cc2ccco2)c1 ZINC000006604581 570495717 /nfs/dbraw/zinc/49/57/17/570495717.db2.gz PDPGUYYVHXWGEA-UHFFFAOYSA-N 0 0 386.480 5.059 50 30 GKEARN CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 ZINC000006820407 570495799 /nfs/dbraw/zinc/49/57/99/570495799.db2.gz KGFOCYOQBRGEIA-PBHICJAKSA-N 0 0 397.927 5.066 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 ZINC000005186366 570497835 /nfs/dbraw/zinc/49/78/35/570497835.db2.gz BVODCFHQIUVTST-HMAPJEAMSA-N 0 0 399.446 5.215 50 30 GKEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000030851978 570498595 /nfs/dbraw/zinc/49/85/95/570498595.db2.gz WPWLOTSZPXIEQX-VURMDHGXSA-N 0 0 391.254 5.103 50 30 GKEARN O=C1CCC2=C1[C@@H](c1ccc(Br)cc1)c1c(ccc3ccccc31)N2 ZINC000005067697 570499380 /nfs/dbraw/zinc/49/93/80/570499380.db2.gz QCGHFNYECWEPKQ-FQEVSTJZSA-N 0 0 390.280 5.777 50 30 GKEARN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C ZINC000005193874 570499703 /nfs/dbraw/zinc/49/97/03/570499703.db2.gz SIOHJEBKMOZINI-SDNWHVSQSA-N 0 0 376.883 6.432 50 30 GKEARN N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccccc3)cc1)CCCCC2 ZINC000006999028 570500083 /nfs/dbraw/zinc/50/00/83/570500083.db2.gz JWOYACOKMCFPKF-WGOQTCKBSA-N 0 0 386.520 6.218 50 30 GKEARN Cc1cccc2oc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)nc21 ZINC000003083406 570502750 /nfs/dbraw/zinc/50/27/50/570502750.db2.gz FNIINXOCJPQLLM-BRJLIKDPSA-N 0 0 390.870 6.530 50 30 GKEARN C=CCn1c(C)cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c1C ZINC000002651986 570502961 /nfs/dbraw/zinc/50/29/61/570502961.db2.gz ZCLXEKPVJCRXOE-UHFFFAOYSA-N 0 0 377.435 6.177 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000003092402 570503210 /nfs/dbraw/zinc/50/32/10/570503210.db2.gz JFHYNWUWHGYAOP-FYJGNVAPSA-N 0 0 396.244 5.852 50 30 GKEARN N#Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 ZINC000006615081 570504438 /nfs/dbraw/zinc/50/44/38/570504438.db2.gz VTCKWKWARUCALD-UHFFFAOYSA-N 0 0 380.072 5.631 50 30 GKEARN Clc1ccc(Sc2ccccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000005201118 570504729 /nfs/dbraw/zinc/50/47/29/570504729.db2.gz ZLPDCGJUOIWMIB-LPYMAVHISA-N 0 0 395.940 6.547 50 30 GKEARN O=C1C=C(Nc2ccc(Br)cc2Cl)C[C@@H](c2ccccc2)C1 ZINC000006618297 570505961 /nfs/dbraw/zinc/50/59/61/570505961.db2.gz JNFBAZMJOHFQGG-CYBMUJFWSA-N 0 0 376.681 5.545 50 30 GKEARN N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(F)cc1)CC(F)(F)F ZINC000078970163 570510230 /nfs/dbraw/zinc/51/02/30/570510230.db2.gz BJRUVPPCZJAJLZ-UHFFFAOYSA-N 0 0 399.775 5.003 50 30 GKEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000006637549 570511588 /nfs/dbraw/zinc/51/15/88/570511588.db2.gz AEGMPBQFXVBZTE-HMAPJEAMSA-N 0 0 385.419 5.030 50 30 GKEARN Cc1ccc2nc(-c3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c1 ZINC000002756878 570513724 /nfs/dbraw/zinc/51/37/24/570513724.db2.gz LFATVESGTYMWRE-ROSRGIBJSA-N 0 0 399.406 5.833 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c1 ZINC000002756733 570513909 /nfs/dbraw/zinc/51/39/09/570513909.db2.gz VCRRYSZABFXYJU-HRLJDNPUSA-N 0 0 383.407 6.127 50 30 GKEARN CC/N=C1\S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1CC ZINC000002783131 570514186 /nfs/dbraw/zinc/51/41/86/570514186.db2.gz YANNDGZZTDGDJK-FMEJEFMASA-N 0 0 388.577 5.299 50 30 GKEARN CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840912 570514279 /nfs/dbraw/zinc/51/42/79/570514279.db2.gz UMEKPPOFCOUEDT-QFIPXVFZSA-N 0 0 386.617 5.925 50 30 endogenous,in-man GKEARN Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1Br ZINC000002816589 570519345 /nfs/dbraw/zinc/51/93/45/570519345.db2.gz FHVJMRKMYLSZQD-OEAKJJBVSA-N 0 0 380.285 6.087 50 30 GKEARN Cc1nc(Oc2cccc(NC(=O)c3ccccc3)c2)c(C#N)c(C)c1Cl ZINC000006668319 570526995 /nfs/dbraw/zinc/52/69/95/570526995.db2.gz HAEDTBWPVVASJZ-UHFFFAOYSA-N 0 0 377.831 5.268 50 30 GKEARN CCCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cn2)cc1F ZINC000008434871 570531519 /nfs/dbraw/zinc/53/15/19/570531519.db2.gz ZWTBEAZPEVBOIG-UHFFFAOYSA-N 0 0 397.578 7.921 50 30 GKEARN CCCCCCCCOc1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000008453738 570531911 /nfs/dbraw/zinc/53/19/11/570531911.db2.gz VJDQQVDFTBJLDU-WOJGMQOQSA-N 0 0 382.500 6.053 50 30 biogenic GKEARN CCCCCCCSC[C@@H](Cc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000008442129 570531927 /nfs/dbraw/zinc/53/19/27/570531927.db2.gz XSCGRABXAGFDCZ-GOSISDBHSA-N 0 0 385.404 6.677 50 30 GKEARN COc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000008682525 570537003 /nfs/dbraw/zinc/53/70/03/570537003.db2.gz HUCCTOAOZOVLBL-UHFFFAOYSA-N 0 0 394.496 5.312 50 30 aggregator GKEARN CCOc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000008682670 570537107 /nfs/dbraw/zinc/53/71/07/570537107.db2.gz JNZHMXGKTFSDAK-UHFFFAOYSA-N 0 0 378.497 5.694 50 30 aggregator GKEARN O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000008715660 570537837 /nfs/dbraw/zinc/53/78/37/570537837.db2.gz XBXQQIWNHKVBRI-HXUWFJFHSA-N 0 0 395.886 5.251 50 30 GKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)CC(C)C ZINC000036105144 570541886 /nfs/dbraw/zinc/54/18/86/570541886.db2.gz JCIGLWMVNZFFBD-UHFFFAOYSA-N 0 0 386.561 5.406 50 30 GKEARN N#Cc1c(-c2ccc(Cl)cc2)c(/C=C\c2ccccc2)nn1-c1ccccc1 ZINC000097475225 570542016 /nfs/dbraw/zinc/54/20/16/570542016.db2.gz NRQRLVMIYBBTLJ-WJDWOHSUSA-N 0 0 381.866 6.235 50 30 GKEARN CCCCCCCNC1=C(C(=O)CCC)C(=O)C[C@@H](C[C@@H](C)SCC)C1 ZINC000103015790 570542351 /nfs/dbraw/zinc/54/23/51/570542351.db2.gz SQIZOCJDQMRNKG-MSOLQXFVSA-N 0 0 381.626 5.681 50 30 GKEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(C)c1 ZINC000036106633 570542365 /nfs/dbraw/zinc/54/23/65/570542365.db2.gz CKUMMBFIGJEGPK-UHFFFAOYSA-N 0 0 392.524 5.167 50 30 GKEARN CCCCSc1nc(-c2ccc(OCCC)cc2)cc(C(F)(F)F)c1C#N ZINC000006708829 570545892 /nfs/dbraw/zinc/54/58/92/570545892.db2.gz WJKFTFBVSGIYAK-UHFFFAOYSA-N 0 0 394.462 6.320 50 30 GKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC)n2)cc1 ZINC000006708771 570546112 /nfs/dbraw/zinc/54/61/12/570546112.db2.gz RUEIVSZUCUDMKG-UHFFFAOYSA-N 0 0 380.435 5.930 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009015204 570546720 /nfs/dbraw/zinc/54/67/20/570546720.db2.gz QLOSMHAJKRAPBX-FQEVSTJZSA-N 0 0 389.838 5.123 50 30 GKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000006720440 570548374 /nfs/dbraw/zinc/54/83/74/570548374.db2.gz YKWHPSNUNRIVCP-JOCHJYFZSA-N 0 0 380.513 5.445 50 30 GKEARN CN(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006720162 570548411 /nfs/dbraw/zinc/54/84/11/570548411.db2.gz AXBIXXCFCQLYMT-VWLOTQADSA-N 0 0 397.522 5.610 50 30 GKEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(SC)cc1 ZINC000006720445 570548417 /nfs/dbraw/zinc/54/84/17/570548417.db2.gz KRVKVFIQSBCVEW-QHCPKHFHSA-N 0 0 392.524 5.325 50 30 GKEARN C(=NN=c1[nH]c2ccccc2s1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009109673 570549493 /nfs/dbraw/zinc/54/94/93/570549493.db2.gz OFWSZBQAUUILCW-BUVRLJJBSA-N 0 0 395.491 5.595 50 30 GKEARN CC[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 ZINC000061997202 570553564 /nfs/dbraw/zinc/55/35/64/570553564.db2.gz BTWYXJRMSASGSJ-LBPRGKRZSA-N 0 0 386.249 5.174 50 30 GKEARN COc1ccc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006732374 570556848 /nfs/dbraw/zinc/55/68/48/570556848.db2.gz LNXJZFDOUAXNAO-XMMPIXPASA-N 0 0 383.491 6.158 50 30 GKEARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733053 570557280 /nfs/dbraw/zinc/55/72/80/570557280.db2.gz JAMLEQAGFFRITG-HXUWFJFHSA-N 0 0 383.495 5.586 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccs1)c1c([nH]nc1-c1ccc(Cl)cc1)N2 ZINC000006733071 570557342 /nfs/dbraw/zinc/55/73/42/570557342.db2.gz LQSIRMNCUPPIBK-KRWDZBQOSA-N 0 0 381.888 5.356 50 30 GKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)c3ccc(O)cc3O2)N1 ZINC000006763550 570576072 /nfs/dbraw/zinc/57/60/72/570576072.db2.gz OYBOZFLVLNRILV-AUSIDOKSSA-N 0 0 394.540 5.050 50 30 GKEARN N#Cc1c(SCc2ccccc2F)nc(-c2cccs2)cc1C(F)(F)F ZINC000037866290 570576906 /nfs/dbraw/zinc/57/69/06/570576906.db2.gz WDEXFBYGGJIMHH-UHFFFAOYSA-N 0 0 394.418 6.132 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000005393343 570584295 /nfs/dbraw/zinc/58/42/95/570584295.db2.gz JZTGWKSJFBOVBG-LPYMAVHISA-N 0 0 382.489 5.004 50 30 GKEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005406937 570587354 /nfs/dbraw/zinc/58/73/54/570587354.db2.gz BDNHKOIJQCTTKP-IQGLISFBSA-N 0 0 396.490 5.186 50 30 GKEARN Cc1ccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000005415569 570588297 /nfs/dbraw/zinc/58/82/97/570588297.db2.gz ORYJJKCPPWZKKY-WYMPLXKRSA-N 0 0 387.266 6.040 50 30 GKEARN O=C(N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002147303 570588919 /nfs/dbraw/zinc/58/89/19/570588919.db2.gz NOXDIPWNQOTUAB-CQSZACIVSA-N 0 0 395.138 6.133 50 30 in-vivo GKEARN Cc1ccc(/C=N/c2sccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000006788064 570593919 /nfs/dbraw/zinc/59/39/19/570593919.db2.gz UWKYTUPYDQMAMA-SSDVNMTOSA-N 0 0 389.307 6.366 50 30 GKEARN N#Cc1ccccc1CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000006788737 570594881 /nfs/dbraw/zinc/59/48/81/570594881.db2.gz LERWYFKFTDNOIA-UHFFFAOYSA-N 0 0 388.521 5.219 50 30 GKEARN C=CCn1cc(/C=N/c2sccc2C(=O)Nc2ccccc2C)c2ccccc21 ZINC000006789782 570595692 /nfs/dbraw/zinc/59/56/92/570595692.db2.gz VCOPYZIXUUHJGU-MFKUBSTISA-N 0 0 399.519 6.200 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000003166520 570595805 /nfs/dbraw/zinc/59/58/05/570595805.db2.gz XHVHCNWIYIEKNM-UHFFFAOYSA-N 0 0 376.472 6.091 50 30 GKEARN CC(C)N=NC(N=C(Nc1ccccc1)Nc1ccccc1)=Nc1ccccc1 ZINC000136478318 570596379 /nfs/dbraw/zinc/59/63/79/570596379.db2.gz CONOMJOMDAFNIA-UHFFFAOYSA-N 0 0 384.487 5.240 50 30 GKEARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 ZINC000006791241 570596932 /nfs/dbraw/zinc/59/69/32/570596932.db2.gz JJXNYXMBEHHMOS-CYBMUJFWSA-N 0 0 378.501 5.095 50 30 GKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccccc1Cl ZINC000005459018 570599965 /nfs/dbraw/zinc/59/99/65/570599965.db2.gz YCTHRDGPQVLPHH-DHRITJCHSA-N 0 0 387.874 5.329 50 30 GKEARN N#Cc1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000003281245 570601265 /nfs/dbraw/zinc/60/12/65/570601265.db2.gz YZTRHABYSHHYMJ-UHFFFAOYSA-N 0 0 389.958 5.648 50 30 GKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC ZINC000003323458 570603355 /nfs/dbraw/zinc/60/33/55/570603355.db2.gz GYLLPCGTIYWMLV-UHFFFAOYSA-N 0 0 393.556 5.730 50 30 GKEARN N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1 ZINC000003351873 570606255 /nfs/dbraw/zinc/60/62/55/570606255.db2.gz HOEAUOZCYWIVMW-UHFFFAOYSA-N 0 0 398.487 5.990 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccs1 ZINC000005478384 570608579 /nfs/dbraw/zinc/60/85/79/570608579.db2.gz XAMZRKKJCUBBCM-GHXNOFRVSA-N 0 0 388.823 5.312 50 30 GKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000033011094 570623050 /nfs/dbraw/zinc/62/30/50/570623050.db2.gz PIEOXSMZPALQDX-UHFFFAOYSA-N 0 0 387.508 5.276 50 30 GKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000033011111 570623126 /nfs/dbraw/zinc/62/31/26/570623126.db2.gz YOHBJENCTIWSFR-UHFFFAOYSA-N 0 0 393.899 5.313 50 30 GKEARN c1sc2ncnc(N=NCc3ccc4ncccc4c3)c2c1-c1ccccc1 ZINC000005516353 570623772 /nfs/dbraw/zinc/62/37/72/570623772.db2.gz IXPOBDIZKMVPMD-RPPGKUMJSA-N 0 0 381.464 5.353 50 30 GKEARN O=C(Nc1ccccc1C(F)(F)F)c1ccsc1/N=C/c1cccs1 ZINC000006829304 570626878 /nfs/dbraw/zinc/62/68/78/570626878.db2.gz WEMNCCHJGIFCTR-UFFVCSGVSA-N 0 0 380.416 5.831 50 30 GKEARN CC(C)c1cc(Oc2ccc(Cl)cc2)nc(SCc2cccc(C#N)c2)n1 ZINC000036349806 570632746 /nfs/dbraw/zinc/63/27/46/570632746.db2.gz FMQUMDAXBICZJT-UHFFFAOYSA-N 0 0 395.915 6.210 50 30 GKEARN CC(C)c1cc(Oc2ccc(F)cc2)nc(SCc2cccc(C#N)c2)n1 ZINC000036349823 570633464 /nfs/dbraw/zinc/63/34/64/570633464.db2.gz FDSLVPGCPVVOTE-UHFFFAOYSA-N 0 0 379.460 5.695 50 30 GKEARN C=CCN(C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2)c1ccccc1 ZINC000006868668 570656382 /nfs/dbraw/zinc/65/63/82/570656382.db2.gz UNJMUONCINEWJW-UHFFFAOYSA-N 0 0 389.474 5.248 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1C ZINC000006868603 570656509 /nfs/dbraw/zinc/65/65/09/570656509.db2.gz PQNCFNZTIOOHAJ-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005577012 570659409 /nfs/dbraw/zinc/65/94/09/570659409.db2.gz LUVBVUOHDSOPOO-OAQYLSRUSA-N 0 0 389.886 5.399 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)c1 ZINC000033027066 570662973 /nfs/dbraw/zinc/66/29/73/570662973.db2.gz IZWSUUGIEITHIN-UHFFFAOYSA-N 0 0 391.471 5.747 50 30 GKEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000013630052 570663416 /nfs/dbraw/zinc/66/34/16/570663416.db2.gz FILDBVFDGMCBPX-SMDHAYCWSA-N 0 0 396.442 5.484 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000004611955 570666884 /nfs/dbraw/zinc/66/68/84/570666884.db2.gz AJHWFZCYBJCFIS-HHUAMSDTSA-N 0 0 396.600 5.926 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005603776 570668219 /nfs/dbraw/zinc/66/82/19/570668219.db2.gz BKOJHXYGZLYFDK-HSZRJFAPSA-N 0 0 397.522 5.690 50 30 GKEARN COc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1Cl ZINC000005607405 570668433 /nfs/dbraw/zinc/66/84/33/570668433.db2.gz QBDYFIKWGQVKAT-UHFFFAOYSA-N 0 0 382.876 5.143 50 30 GKEARN Cc1ccc(CNc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 ZINC000012418997 570671250 /nfs/dbraw/zinc/67/12/50/570671250.db2.gz HQXGXJMJWSPLSJ-UHFFFAOYSA-N 0 0 399.450 5.614 50 30 GKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)c1 ZINC000012418994 570671260 /nfs/dbraw/zinc/67/12/60/570671260.db2.gz KALVPCSMSUIDMB-UHFFFAOYSA-N 0 0 385.423 5.306 50 30 GKEARN CCn1c(SCCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000005622616 570672851 /nfs/dbraw/zinc/67/28/51/570672851.db2.gz SLLUFTOFQCENBB-UHFFFAOYSA-N 0 0 385.496 5.186 50 30 GKEARN CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000868870 570678308 /nfs/dbraw/zinc/67/83/08/570678308.db2.gz UOHZQPAWOBIXPT-NRFANRHFSA-N 0 0 392.543 5.566 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000000873391 570679074 /nfs/dbraw/zinc/67/90/74/570679074.db2.gz SDNQKJHTVYZODT-LLVKDONJSA-N 0 0 399.566 5.085 50 30 GKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H]3CCCCC3=O)n2)cc1 ZINC000005659261 570680541 /nfs/dbraw/zinc/68/05/41/570680541.db2.gz RQJXKZBLIYRTOR-XMMPIXPASA-N 0 0 398.531 6.200 50 30 GKEARN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C)C2=O)cc1OCC ZINC000012628185 570692379 /nfs/dbraw/zinc/69/23/79/570692379.db2.gz XHCBYQIYAVFTLT-BLFRMDKKSA-N 0 0 396.512 5.108 50 30 GKEARN COc1ccc([C@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1OC ZINC000012630767 570693192 /nfs/dbraw/zinc/69/31/92/570693192.db2.gz LXBMRKPVQBTWKB-PKTZIBPZSA-N 0 0 397.478 5.120 50 30 GKEARN Cc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1C1CCCCC1 ZINC000004356734 570696417 /nfs/dbraw/zinc/69/64/17/570696417.db2.gz XIQPJQPHWRIUJH-UHFFFAOYSA-N 0 0 388.540 5.787 50 30 GKEARN C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000006905132 570697400 /nfs/dbraw/zinc/69/74/00/570697400.db2.gz UFYBWHXTSZOCEG-GOSISDBHSA-N 0 0 380.904 5.011 50 30 GKEARN O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cl)s1 ZINC000006926763 570708089 /nfs/dbraw/zinc/70/80/89/570708089.db2.gz ZAUDVNCIVJZLOW-CMDGGOBGSA-N 0 0 384.884 5.958 50 30 GKEARN Clc1ccc(CON=CNc2nccc(-c3cccs3)n2)c(Cl)c1 ZINC000006926718 570708227 /nfs/dbraw/zinc/70/82/27/570708227.db2.gz DRMRSJCZQVCIQM-UHFFFAOYSA-N 0 0 379.272 5.084 50 30 GKEARN Cc1cccc(-n2c(SCc3ccc(C#N)cc3)nnc2C2CCCCC2)c1 ZINC000004365593 570711528 /nfs/dbraw/zinc/71/15/28/570711528.db2.gz KXSOTNQQURGUCT-UHFFFAOYSA-N 0 0 388.540 5.787 50 30 GKEARN COc1ccccc1[C@H]1c2c([nH]nc2-c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935541 570714143 /nfs/dbraw/zinc/71/41/43/570714143.db2.gz JQTCVTWPSKIYFX-HXUWFJFHSA-N 0 0 399.494 5.286 50 30 GKEARN C=C[C@](C)(CC[C@@H]1[C@](C)(OC(C)=O)CC[C@@H]2C(C)(C)CCC[C@]21C)OC(C)=O ZINC000229982204 570718032 /nfs/dbraw/zinc/71/80/32/570718032.db2.gz JRCDNYSMCYLMMV-LXCVFVNYSA-N 0 0 392.580 5.839 50 30 GKEARN CCOc1cc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)ccc1O ZINC000012946512 570731978 /nfs/dbraw/zinc/73/19/78/570731978.db2.gz TXYSCNYDYNITQA-RGEXLXHISA-N 0 0 399.446 5.664 50 30 GKEARN N#C[C@]1(C(F)(F)F)CSC2(C3CC4CC(C3)CC2C4)[C@]1(C#N)C(F)(F)F ZINC000000970141 570740446 /nfs/dbraw/zinc/74/04/46/570740446.db2.gz NNDIWINPKPGCCY-WPGIIJABSA-N 0 0 394.384 5.073 50 30 GKEARN Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C#N)s1 ZINC000001003161 570745778 /nfs/dbraw/zinc/74/57/78/570745778.db2.gz HNXOGWNUZZUWTE-UHFFFAOYSA-N 0 0 393.320 6.216 50 30 GKEARN CC(C)c1ccc(C#N)c(SCC(=O)N(c2ccccc2)c2ccccc2)n1 ZINC000001010234 570746250 /nfs/dbraw/zinc/74/62/50/570746250.db2.gz VMZUXWZFZQVZDI-UHFFFAOYSA-N 0 0 387.508 5.534 50 30 GKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)o1 ZINC000001073400 570748852 /nfs/dbraw/zinc/74/88/52/570748852.db2.gz FWUTWAFEHDKIES-UHFFFAOYSA-N 0 0 399.475 5.477 50 30 GKEARN O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013142722 570748987 /nfs/dbraw/zinc/74/89/87/570748987.db2.gz UEYFPZXCVSZFMI-ZGKFLROHSA-N 0 0 376.456 5.205 50 30 GKEARN N#Cc1c(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc2c1CCC2 ZINC000001088175 570752009 /nfs/dbraw/zinc/75/20/09/570752009.db2.gz DJDKILSILYCDFG-UHFFFAOYSA-N 0 0 386.520 5.149 50 30 GKEARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000001131022 570755990 /nfs/dbraw/zinc/75/59/90/570755990.db2.gz COKXDJBKCZFACY-VIFPVBQESA-N 0 0 395.311 5.312 50 30 GKEARN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000100965804 570784124 /nfs/dbraw/zinc/78/41/24/570784124.db2.gz VUNIAVNOCSRZMM-UHFFFAOYSA-N 0 0 383.448 5.146 50 30 biogenic GKEARN CCCCCCCCCCCCNC(=O)CCC(=O)OCCc1ccccc1 ZINC000100989191 570784484 /nfs/dbraw/zinc/78/44/84/570784484.db2.gz UBZQXORIJJCQDT-UHFFFAOYSA-N 0 0 389.580 5.590 50 30 GKEARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1/N=C/c1ccccc1Cl ZINC000015224335 570788168 /nfs/dbraw/zinc/78/81/68/570788168.db2.gz WUNQDMMWCMBXTO-ZMSCOZPXSA-N 0 0 393.320 5.229 50 30 GKEARN C=CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C(C)C)cc1 ZINC000003129594 570792422 /nfs/dbraw/zinc/79/24/22/570792422.db2.gz ZUSNERWLUCCHRE-UHFFFAOYSA-N 0 0 391.584 6.633 50 30 GKEARN CCCCCCCCCCCCNc1nccc(-c2cc3ccccc3o2)n1 ZINC000137042146 570797548 /nfs/dbraw/zinc/79/75/48/570797548.db2.gz ALIDUKWQRSLPSB-UHFFFAOYSA-N 0 0 379.548 7.223 50 30 GKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000005870101 570799239 /nfs/dbraw/zinc/79/92/39/570799239.db2.gz NHFWTXVWFHYANN-INIZCTEOSA-N 0 0 395.673 5.158 50 30 GKEARN N#Cc1ccccc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000007121129 570799328 /nfs/dbraw/zinc/79/93/28/570799328.db2.gz PTVVCAPRYZJCEI-UHFFFAOYSA-N 0 0 388.521 5.084 50 30 GKEARN CCCCCCCCCCCOC(=O)Cn1c2ccccc2c2ccccc21 ZINC000137110875 570803532 /nfs/dbraw/zinc/80/35/32/570803532.db2.gz IWDZFZGCIOXJTN-UHFFFAOYSA-N 0 0 379.544 6.869 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000033096939 570809774 /nfs/dbraw/zinc/80/97/74/570809774.db2.gz DFAQIMVKTVJBOS-KQWNVCNZSA-N 0 0 382.577 5.250 50 30 GKEARN CCCC[C@@H](CC)COc1cc(C#N)c(OC[C@H](CC)CCCC)cc1C#N ZINC000004664689 570811582 /nfs/dbraw/zinc/81/15/82/570811582.db2.gz CKCPPOLWIZCTAL-WOJBJXKFSA-N 0 0 384.564 6.620 50 30 GKEARN N#Cc1cccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000005990044 570812305 /nfs/dbraw/zinc/81/23/05/570812305.db2.gz DRKZLARLWOCNRE-UHFFFAOYSA-N 0 0 380.476 5.370 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000018266714 570812395 /nfs/dbraw/zinc/81/23/95/570812395.db2.gz SRGMCGJVUINXLM-HJPURHCSSA-N 0 0 397.503 5.514 50 30 GKEARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc21 ZINC000006038063 570816205 /nfs/dbraw/zinc/81/62/05/570816205.db2.gz IZCWAINUQHDTMY-INIZCTEOSA-N 0 0 383.451 5.092 50 30 GKEARN COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1 ZINC000003896880 570818806 /nfs/dbraw/zinc/81/88/06/570818806.db2.gz CMONWUQZZQGYMH-WGOQTCKBSA-N 0 0 375.512 5.922 50 30 GKEARN Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCCC3)cc1Cl ZINC000004674903 570819496 /nfs/dbraw/zinc/81/94/96/570819496.db2.gz KZJRFTNAKSMYBF-UHFFFAOYSA-N 0 0 386.886 5.943 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000004672172 570820353 /nfs/dbraw/zinc/82/03/53/570820353.db2.gz WCHUABIOEGJTRD-KAJLVOKLSA-N 0 0 392.926 6.164 50 30 GKEARN Cc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)c(C#N)cc2c1 ZINC000001222306 570821825 /nfs/dbraw/zinc/82/18/25/570821825.db2.gz IDAFGMFDSZVSEV-UHFFFAOYSA-N 0 0 375.497 5.071 50 30 GKEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F ZINC000101406893 570822064 /nfs/dbraw/zinc/82/20/64/570822064.db2.gz DIANDPRMUBIILF-UAUJJRCRSA-N 0 0 395.474 5.182 50 30 GKEARN COc1cccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1 ZINC000004678809 570824597 /nfs/dbraw/zinc/82/45/97/570824597.db2.gz KXBFDSVFWJRDIN-FQEVSTJZSA-N 0 0 385.463 5.473 50 30 GKEARN CC(=O)/C=C1\C(C)=C(c2ccccc2)N=C(c2ccccc2)N1c1ccc(C)cc1 ZINC000101603689 570827362 /nfs/dbraw/zinc/82/73/62/570827362.db2.gz ZKKZHTZBXLPENL-XIEYBQDHSA-N 0 0 392.502 6.166 50 30 GKEARN C(#Cc1ccccc1)/C=C/c1ccc2ccc(/C=C/C#Cc3ccccc3)cc2c1 ZINC000002077638 570833524 /nfs/dbraw/zinc/83/35/24/570833524.db2.gz GXZWAXJSYFPMBD-BEQMOXJMSA-N 0 0 380.490 6.970 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(Cl)c2)C12CCCCC2 ZINC000005705439 570836349 /nfs/dbraw/zinc/83/63/49/570836349.db2.gz LSXKUBOSSYXLOU-UHFFFAOYSA-N 0 0 397.975 6.084 50 30 GKEARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012536860 570836635 /nfs/dbraw/zinc/83/66/35/570836635.db2.gz DPKRUILYDBQRDK-UHFFFAOYSA-N 0 0 395.487 5.166 50 30 GKEARN C/C(=N\N=C(/C)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000004693998 570839184 /nfs/dbraw/zinc/83/91/84/570839184.db2.gz DOXQSYRMLIQLTA-AYKLPDECSA-N 0 0 394.110 5.445 50 30 GKEARN O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccc(Cl)cc1 ZINC000004537202 570847470 /nfs/dbraw/zinc/84/74/70/570847470.db2.gz AWPDUBJSFFASPU-CSKARUKUSA-N 0 0 377.654 6.803 50 30 GKEARN N#Cc1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000003322402 570856717 /nfs/dbraw/zinc/85/67/17/570856717.db2.gz IEHSOBAPSFNVAL-UHFFFAOYSA-N 0 0 376.934 5.273 50 30 GKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC12CC3CC(CC(C3)C1)C2 ZINC000004718541 570857132 /nfs/dbraw/zinc/85/71/32/570857132.db2.gz AYMZNEBNKCJJSA-UHFFFAOYSA-N 0 0 384.527 5.611 50 30 GKEARN Cc1cccc(C[C@H]2S/C(=N/N=C/c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000004712938 570858371 /nfs/dbraw/zinc/85/83/71/570858371.db2.gz IPDOZXNMKSRPHL-IJGBZFIWSA-N 0 0 399.519 5.076 50 30 GKEARN Cc1ccc(Cn2cccc2/C=N\NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000004712691 570858386 /nfs/dbraw/zinc/85/83/86/570858386.db2.gz CVLHLWZHXUQLIM-QRVIBDJDSA-N 0 0 396.947 5.127 50 30 GKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000044085470 570862359 /nfs/dbraw/zinc/86/23/59/570862359.db2.gz JCWUZAWXMUFALS-UHFFFAOYSA-N 0 0 385.330 5.639 50 30 GKEARN N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 ZINC000044087378 570862975 /nfs/dbraw/zinc/86/29/75/570862975.db2.gz AQNYHCMEWFUOFI-UHFFFAOYSA-N 0 0 394.714 6.115 50 30 GKEARN CCCCc1ccc(/N=c2\c3c(c(C#N)c4[nH]c5ccccc5n42)CCCC3)cc1 ZINC000102884671 570870629 /nfs/dbraw/zinc/87/06/29/570870629.db2.gz MURNKKRDTAUFFO-AZPGRJICSA-N 0 0 394.522 5.746 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000170618126 570875479 /nfs/dbraw/zinc/87/54/79/570875479.db2.gz FXFLVKQKRZNLQA-ZJSXRUAMSA-N 0 0 392.495 5.138 50 30 GKEARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1C ZINC000007549894 570878827 /nfs/dbraw/zinc/87/88/27/570878827.db2.gz YDKHMAFPRCTADV-KRWDZBQOSA-N 0 0 386.451 5.023 50 30 GKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000003664323 570881754 /nfs/dbraw/zinc/88/17/54/570881754.db2.gz DTFYVQAKQQVUND-AFUMVMLFSA-N 0 0 385.854 6.484 50 30 GKEARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](C#N)C2)c(C)s1 ZINC000072419555 570881830 /nfs/dbraw/zinc/88/18/30/570881830.db2.gz XUOYQXDIQLYGFK-QGZVFWFLSA-N 0 0 394.519 5.092 50 30 GKEARN CCCCCCCCC(=O)Nc1cc2ncnn2c(SCc2ccccc2)n1 ZINC000003770917 570883778 /nfs/dbraw/zinc/88/37/78/570883778.db2.gz VLJQRTZPFVFKHV-UHFFFAOYSA-N 0 0 397.548 5.106 50 30 GKEARN N#CCCn1cc(-c2csc(NCCc3cccs3)n2)c2ccccc21 ZINC000032885563 570884966 /nfs/dbraw/zinc/88/49/66/570884966.db2.gz SVJIAMGMPGIXAO-UHFFFAOYSA-N 0 0 378.526 5.395 50 30 GKEARN CCCCOc1ccc(C(=O)O/N=C(/C)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000044790628 570886294 /nfs/dbraw/zinc/88/62/94/570886294.db2.gz DMDNRZSOIARPKV-IMRQLAEWSA-N 0 0 399.490 6.018 50 30 GKEARN O=C(C=CNc1scc2c1c(=O)oc1ccccc21)c1ccc(Cl)cc1 ZINC000103844965 570889466 /nfs/dbraw/zinc/88/94/66/570889466.db2.gz JGUIMPPMKNTHKZ-KTKRTIGZSA-N 0 0 381.840 5.470 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc2c(c1)OCO2 ZINC000104158361 570896029 /nfs/dbraw/zinc/89/60/29/570896029.db2.gz LEKZHWKHVWXRTB-FQEVSTJZSA-N 0 0 399.446 5.193 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc2c(c1)OCO2 ZINC000104158366 570896176 /nfs/dbraw/zinc/89/61/76/570896176.db2.gz LEKZHWKHVWXRTB-HXUWFJFHSA-N 0 0 399.446 5.193 50 30 GKEARN CCc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000031854550 570899918 /nfs/dbraw/zinc/89/99/18/570899918.db2.gz ITEJSTUOBXWBPL-FBHDLOMBSA-N 0 0 376.312 6.125 50 30 GKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccc(Cl)cc1 ZINC000004734210 570903852 /nfs/dbraw/zinc/90/38/52/570903852.db2.gz JHYIEHLGDCWICL-UHFFFAOYSA-N 0 0 394.971 6.367 50 30 GKEARN CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)o2)cc1 ZINC000015349038 570905090 /nfs/dbraw/zinc/90/50/90/570905090.db2.gz WAHXUZAFZYFOJO-DHZHZOJOSA-N 0 0 382.362 5.298 50 30 GKEARN CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CO)NC(=O)CCCCC ZINC000078215305 570907326 /nfs/dbraw/zinc/90/73/26/570907326.db2.gz VUMHYWBWYSPQMM-DHIUTWEWSA-N 0 0 399.660 5.886 50 30 GKEARN Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c(F)cccc1Cl ZINC000004587376 570921863 /nfs/dbraw/zinc/92/18/63/570921863.db2.gz HGQXEQUFSMXIGU-MZJWZYIUSA-N 0 0 381.922 7.006 50 30 GKEARN Clc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 ZINC000004587384 570922344 /nfs/dbraw/zinc/92/23/44/570922344.db2.gz LEZOLISAPKGXCV-VULFUBBASA-N 0 0 384.350 7.212 50 30 GKEARN C(=Nc1ccccc1)C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 ZINC000254399407 570923184 /nfs/dbraw/zinc/92/31/84/570923184.db2.gz SXVUZNJHWGLXJY-MHZLTWQESA-N 0 0 387.482 7.025 50 30 GKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000016400616 570924207 /nfs/dbraw/zinc/92/42/07/570924207.db2.gz XGJAYFNXYMEDQU-AATRIKPKSA-N 0 0 377.259 5.672 50 30 GKEARN O=C(/C=C/c1ccccc1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000016450859 570925608 /nfs/dbraw/zinc/92/56/08/570925608.db2.gz FYOQQQWDDUOFAL-SDNWHVSQSA-N 0 0 385.850 5.745 50 30 GKEARN Cc1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c([N+](=O)[O-])cc1C ZINC000016662392 570930410 /nfs/dbraw/zinc/93/04/10/570930410.db2.gz LSKVZJYZJMDXCO-RGVLZGJSSA-N 0 0 377.421 5.801 50 30 GKEARN CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000004819722 570930739 /nfs/dbraw/zinc/93/07/39/570930739.db2.gz NUVKWJHNZFGASG-KPNKYRRCSA-N 0 0 383.438 5.574 50 30 GKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC#N)n2)cc1 ZINC000002073108 570932319 /nfs/dbraw/zinc/93/23/19/570932319.db2.gz ZMXOASMCVHJNNJ-UHFFFAOYSA-N 0 0 391.883 5.565 50 30 GKEARN CCOC(=O)c1oc2ccc(/C=N\C3C4CC5CC(C4)CC3C5)c(Cl)c2c1C ZINC000110406420 570934975 /nfs/dbraw/zinc/93/49/75/570934975.db2.gz ALORYDXJCCIXSN-GATIEOLUSA-N 0 0 399.918 5.815 50 30 GKEARN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 ZINC000002084390 570937058 /nfs/dbraw/zinc/93/70/58/570937058.db2.gz BQJCWDUOVQUGSY-VQHVLOKHSA-N 0 0 391.323 5.847 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cc(Cl)ccc1Cl ZINC000017027302 570937689 /nfs/dbraw/zinc/93/76/89/570937689.db2.gz FKAPFMWPJIJLTE-AWEZNQCLSA-N 0 0 385.703 5.109 50 30 GKEARN C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012689886 570949370 /nfs/dbraw/zinc/94/93/70/570949370.db2.gz HMZVYCMARCVULF-GFCCVEGCSA-N 0 0 397.525 5.149 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000001268468 570950806 /nfs/dbraw/zinc/95/08/06/570950806.db2.gz YWPCPNTZSOAHFV-LBPRGKRZSA-N 0 0 380.900 5.803 50 30 GKEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000001268364 570950882 /nfs/dbraw/zinc/95/08/82/570950882.db2.gz HDYOQCQADXFKLH-HNNXBMFYSA-N 0 0 382.529 5.097 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000018244307 570952111 /nfs/dbraw/zinc/95/21/11/570952111.db2.gz WCUCXSJGCPJFOE-NRFANRHFSA-N 0 0 380.513 5.301 50 30 GKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000018244454 570952141 /nfs/dbraw/zinc/95/21/41/570952141.db2.gz FRSIOXJBNHSXLL-OAQYLSRUSA-N 0 0 378.472 5.079 50 30 GKEARN CC(=O)Nc1c(C#N)c(Nc2c(C)cccc2C)sc1C(=O)c1ccccc1 ZINC000263615134 570952248 /nfs/dbraw/zinc/95/22/48/570952248.db2.gz ATIDOJBDZREQDC-UHFFFAOYSA-N 0 0 389.480 5.170 50 30 GKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)cc1 ZINC000004740358 570953762 /nfs/dbraw/zinc/95/37/62/570953762.db2.gz XGBYBQAXVDOLRX-IHCIQGKHSA-N 0 0 382.891 5.492 50 30 GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 ZINC000004740363 570953979 /nfs/dbraw/zinc/95/39/79/570953979.db2.gz LLTDZAMYPRHIMM-NTXFERMYSA-N 0 0 390.527 5.962 50 30 GKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 ZINC000004740364 570954271 /nfs/dbraw/zinc/95/42/71/570954271.db2.gz LLTDZAMYPRHIMM-RAFCBBKXSA-N 0 0 390.527 5.962 50 30 GKEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)c(Cl)c1 ZINC000004740387 570954276 /nfs/dbraw/zinc/95/42/76/570954276.db2.gz CPPLSGKJCWGLCU-GKTNAJGXSA-N 0 0 386.854 5.241 50 30 GKEARN CSc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000252337687 570954657 /nfs/dbraw/zinc/95/46/57/570954657.db2.gz CJIQSXULDKLRPC-BGVDWQIYSA-N 0 0 380.578 6.596 50 30 GKEARN CCCc1sc(NC=C2Sc3ccccc3C2=O)c(C(=O)OCC)c1C ZINC000214326257 570955011 /nfs/dbraw/zinc/95/50/11/570955011.db2.gz SKSRPLPLQHFYOM-LFIBNONCSA-N 0 0 387.526 5.428 50 30 GKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000252430982 570955942 /nfs/dbraw/zinc/95/59/42/570955942.db2.gz XDSUORUHJZFDRR-RRDIPMHDSA-N 0 0 390.498 5.953 50 30 GKEARN Cc1c(C#N)c(NC(=O)/C=C\c2ccc(C(C)C)cc2)sc1C(=O)OC(C)C ZINC000033290925 570958699 /nfs/dbraw/zinc/95/86/99/570958699.db2.gz XFAWBOMLZBKDQQ-FLIBITNWSA-N 0 0 396.512 5.269 50 30 GKEARN COc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000004747012 570958724 /nfs/dbraw/zinc/95/87/24/570958724.db2.gz KCYXSOSKZYDTGH-PGMHBOJBSA-N 0 0 398.462 5.326 50 30 GKEARN COc1ccc2c(c1)O/C(=C\c1ccc(COc3c(C)cccc3Cl)o1)C2=O ZINC000004744791 570959923 /nfs/dbraw/zinc/95/99/23/570959923.db2.gz NTMGWJOYXRSQMU-JAIQZWGSSA-N 0 0 396.826 5.445 50 30 GKEARN COc1cc(OC)c(C=Nc2ccc(Cl)c(Cl)c2)cc1Br ZINC000252462985 570961263 /nfs/dbraw/zinc/96/12/63/570961263.db2.gz XZMZHADFIZNEDW-UHFFFAOYSA-N 0 0 389.076 5.524 50 30 GKEARN O=C1c2ccccc2C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C1Cl ZINC000002507264 570965199 /nfs/dbraw/zinc/96/51/99/570965199.db2.gz MCAILCSAALHVMI-UHFFFAOYSA-N 0 0 375.811 5.420 50 30 GKEARN Cc1ccc(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(O)c1 ZINC000003170278 570966670 /nfs/dbraw/zinc/96/66/70/570966670.db2.gz XXWGYVONMFUHJK-CIAFOILYSA-N 0 0 393.355 5.060 50 30 GKEARN O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000003169015 570966904 /nfs/dbraw/zinc/96/69/04/570966904.db2.gz HJQCLMUFGOSNDT-HYARGMPZSA-N 0 0 380.241 5.419 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000003168903 570966999 /nfs/dbraw/zinc/96/69/99/570966999.db2.gz AKUSCZFVIZBAOW-OEAKJJBVSA-N 0 0 394.268 5.727 50 30 GKEARN N#Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1C1CCN2CC1 ZINC000004770743 570976320 /nfs/dbraw/zinc/97/63/20/570976320.db2.gz MUVWOMYKGRRASW-UHFFFAOYSA-N 0 0 393.299 5.268 50 30 GKEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1F ZINC000107926615 570976927 /nfs/dbraw/zinc/97/69/27/570976927.db2.gz DIANDPRMUBIILF-WGLYLYBXSA-N 0 0 395.474 5.182 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(N(CC)CC)cc2C)cc1 ZINC000044842993 570979787 /nfs/dbraw/zinc/97/97/87/570979787.db2.gz GQZSMMLUJKWMKN-FOCLMDBBSA-N 0 0 380.532 5.829 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2cc(OC)c(Cl)cc2OC)cc1 ZINC000044843282 570979845 /nfs/dbraw/zinc/97/98/45/570979845.db2.gz UOVUKHINELNRNK-ZHACJKMWSA-N 0 0 389.879 5.345 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(OC(F)(F)F)c2)cc1 ZINC000044843207 570979847 /nfs/dbraw/zinc/97/98/47/570979847.db2.gz RIHKVWKUMLPEDF-VAWYXSNFSA-N 0 0 379.378 5.573 50 30 GKEARN Clc1ccc(-c2csc(=NN=Cc3ccccc3)n2Cc2ccco2)cc1 ZINC000252512279 570981893 /nfs/dbraw/zinc/98/18/93/570981893.db2.gz OSYQYWSAJYXGJL-UHFFFAOYSA-N 0 0 393.899 5.446 50 30 GKEARN CCCCCn1nc(C)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1C ZINC000252512190 570982198 /nfs/dbraw/zinc/98/21/98/570982198.db2.gz NYQHAEHRBDTUDG-UHFFFAOYSA-N 0 0 387.742 6.096 50 30 GKEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 ZINC000001411180 570988029 /nfs/dbraw/zinc/98/80/29/570988029.db2.gz ABJUHDKDTPJXPZ-QOVDMSNSSA-N 0 0 382.891 5.410 50 30 GKEARN Clc1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000004793602 570993288 /nfs/dbraw/zinc/99/32/88/570993288.db2.gz VTSWOWXBFGXRDX-RCDUIJEOSA-N 0 0 391.887 6.507 50 30 GKEARN CC(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002190301 570994288 /nfs/dbraw/zinc/99/42/88/570994288.db2.gz OQPSHIAIPVGRDP-HHHXNRCGSA-N 0 0 395.546 7.273 50 30 GKEARN C=C[C@H]1CC12c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000063142573 570996551 /nfs/dbraw/zinc/99/65/51/570996551.db2.gz LZJYNJKWXMMBDE-JTQLQIEISA-N 0 0 376.091 5.684 50 30 GKEARN CC(C)(C)c1ccccc1N=Cc1cccc(C=Nc2ccccc2C(C)(C)C)c1 ZINC000252588824 570997146 /nfs/dbraw/zinc/99/71/46/570997146.db2.gz AEJWHDBPSBJVMC-UHFFFAOYSA-N 0 0 396.578 7.783 50 30 GKEARN Cc1ccc2[nH]c3c(c2c1)CCCC3=NN=C1CCCc2[nH]c3ccc(C)cc3c21 ZINC000252591334 571001135 /nfs/dbraw/zinc/00/11/35/571001135.db2.gz AZRZDTPMHIQXLW-UHFFFAOYSA-N 0 0 394.522 6.132 50 30 GKEARN CCCN1C(=O)/C(=C/c2cc(Cl)ccc2OC)SC1=Nc1ccccc1 ZINC000252591311 571001155 /nfs/dbraw/zinc/00/11/55/571001155.db2.gz AZDMXYVIMIMKPS-FNUYTPMSSA-N 0 0 386.904 5.363 50 30 GKEARN N#Cc1c(N)n(CCc2ccc(F)cc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001440048 571002835 /nfs/dbraw/zinc/00/28/35/571002835.db2.gz SOKJLGFXOCHIRA-UHFFFAOYSA-N 0 0 381.454 5.658 50 30 GKEARN S=c1[nH]ncn1N=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000252594527 571003345 /nfs/dbraw/zinc/00/33/45/571003345.db2.gz BTCUSDXPOCBODC-UHFFFAOYSA-N 0 0 394.887 5.208 50 30 GKEARN Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1 ZINC000012752263 571004714 /nfs/dbraw/zinc/00/47/14/571004714.db2.gz VPLZHLZRTNUHMC-UHFFFAOYSA-N 0 0 388.452 5.001 50 30 GKEARN CCOC(=O)c1ccc(N=Cc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000252600250 571004818 /nfs/dbraw/zinc/00/48/18/571004818.db2.gz DPUBGRZTWZTZDP-UHFFFAOYSA-N 0 0 383.451 5.012 50 30 GKEARN Cc1ccc(-c2nc3cc(N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000252598733 571004847 /nfs/dbraw/zinc/00/48/47/571004847.db2.gz DCWUMBICCMQXAO-CGYHDPHLSA-N 0 0 383.407 6.127 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(N=Cc4c(O)ccc5ccccc54)c3)nc2c1 ZINC000252600199 571005025 /nfs/dbraw/zinc/00/50/25/571005025.db2.gz DOLLWEPLLMZTQP-UHFFFAOYSA-N 0 0 392.458 6.721 50 30 GKEARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000252602485 571006157 /nfs/dbraw/zinc/00/61/57/571006157.db2.gz FJBJZTKHQVRSBI-RFWMZAAKSA-N 0 0 387.508 5.715 50 30 GKEARN Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 ZINC000252605124 571006428 /nfs/dbraw/zinc/00/64/28/571006428.db2.gz GFZYQKMEJHELRA-UHFFFAOYSA-N 0 0 375.321 6.093 50 30 GKEARN CC(=NN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1)c1ccccc1O ZINC000252603596 571006577 /nfs/dbraw/zinc/00/65/77/571006577.db2.gz FSGZUKVYUMFMOF-OAQYLSRUSA-N 0 0 391.858 5.036 50 30 GKEARN CC(=NN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1)c1ccccc1O ZINC000252603595 571006722 /nfs/dbraw/zinc/00/67/22/571006722.db2.gz FSGZUKVYUMFMOF-NRFANRHFSA-N 0 0 391.858 5.036 50 30 GKEARN O=C1/C(=C\c2cccc(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252607159 571007439 /nfs/dbraw/zinc/00/74/39/571007439.db2.gz GYONDRBBSNEUSG-RPDORSEYSA-N 0 0 394.883 5.737 50 30 GKEARN COC(=O)c1ccc(C=Nc2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000252612936 571015442 /nfs/dbraw/zinc/01/54/42/571015442.db2.gz IXHHQPHYZWAZAE-UHFFFAOYSA-N 0 0 384.479 5.361 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccs1)C2=O ZINC000252612903 571015610 /nfs/dbraw/zinc/01/56/10/571015610.db2.gz IWWSCPLMANPYFX-ULHIOSRKSA-N 0 0 382.569 5.634 50 30 GKEARN CCc1ccccc1N=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CC ZINC000252615446 571017931 /nfs/dbraw/zinc/01/79/31/571017931.db2.gz JSKKPHPMTMDQPI-ZRQPATBQSA-N 0 0 375.497 5.354 50 30 GKEARN CCOc1ccc(N=Cc2cccc(OC)c2OCc2ccc(F)cc2)cc1 ZINC000252616948 571018953 /nfs/dbraw/zinc/01/89/53/571018953.db2.gz KJHVATGUAPKDDX-UHFFFAOYSA-N 0 0 379.431 5.563 50 30 GKEARN Cc1ccccc1Oc1cc(C(C)(C)C)nc(SCc2ccccc2C#N)n1 ZINC000037509896 571021233 /nfs/dbraw/zinc/02/12/33/571021233.db2.gz QUNGLLHBMTVJQN-UHFFFAOYSA-N 0 0 389.524 6.039 50 30 GKEARN Cc1ccc2nc(-c3cc(N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c1 ZINC000252618215 571021804 /nfs/dbraw/zinc/02/18/04/571021804.db2.gz LFATVESGTYMWRE-MKQSVUFZSA-N 0 0 399.406 5.833 50 30 GKEARN N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(C(F)(F)F)cn1 ZINC000084576826 571023704 /nfs/dbraw/zinc/02/37/04/571023704.db2.gz KZTVVVBRQLTXSG-MRXNPFEDSA-N 0 0 398.409 5.418 50 30 GKEARN COc1cccc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1O ZINC000252620336 571026777 /nfs/dbraw/zinc/02/67/77/571026777.db2.gz MCBIJAYNLHBHFQ-UHFFFAOYSA-N 0 0 394.430 5.950 50 30 GKEARN CCCOc1ccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(CC)C2=O)cc1 ZINC000252621443 571033580 /nfs/dbraw/zinc/03/35/80/571033580.db2.gz MYRQTTJIJBMTOZ-QQAFOXPBSA-N 0 0 394.540 5.716 50 30 GKEARN CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(CC)C2=O)cc1 ZINC000252621442 571033602 /nfs/dbraw/zinc/03/36/02/571033602.db2.gz MYRQTTJIJBMTOZ-IRZHRRCCSA-N 0 0 394.540 5.716 50 30 GKEARN Cc1cc(-c2ccc(C=Nc3sc4c(c3C#N)CCCC4)o2)ccc1[N+](=O)[O-] ZINC000252622271 571033916 /nfs/dbraw/zinc/03/39/16/571033916.db2.gz NRMZXZRGDCCGEH-UHFFFAOYSA-N 0 0 391.452 5.726 50 30 GKEARN CCOc1ccc(N=C2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000252623068 571034375 /nfs/dbraw/zinc/03/43/75/571034375.db2.gz OJJFMNSMEMBITI-UHFFFAOYSA-N 0 0 383.289 5.786 50 30 GKEARN Cc1ccc(-c2nc3cc(N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000252623243 571034858 /nfs/dbraw/zinc/03/48/58/571034858.db2.gz ONCNHUQKMBDCDL-WYWALMBJSA-N 0 0 383.407 6.127 50 30 GKEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](CCC)OC3)cc1 ZINC000002213684 571034947 /nfs/dbraw/zinc/03/49/47/571034947.db2.gz WJCDKOCMGFQQJZ-QGZVFWFLSA-N 0 0 398.528 5.292 50 30 GKEARN COCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=Nc1ccccc1 ZINC000252624024 571037274 /nfs/dbraw/zinc/03/72/74/571037274.db2.gz PESYGBTYPWDHEG-SPDSTVKKSA-N 0 0 380.513 5.060 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2/[NH+]=C/c1ccccc1 ZINC000252624649 571038210 /nfs/dbraw/zinc/03/82/10/571038210.db2.gz PSKHDAPOVCIOJR-NJXZSJTOSA-N 0 0 379.588 5.878 50 30 GKEARN N#CCSc1ccccc1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000027381489 571038716 /nfs/dbraw/zinc/03/87/16/571038716.db2.gz OKLXCXVJCANLOC-UHFFFAOYSA-N 0 0 382.872 5.146 50 30 GKEARN C=CCSc1nnc(CCc2ccc(OC(C)C)cc2)n1-c1ccccc1 ZINC000004810272 571042295 /nfs/dbraw/zinc/04/22/95/571042295.db2.gz GTRCKNFKTSZKRG-UHFFFAOYSA-N 0 0 379.529 5.118 50 30 GKEARN C=CCc1ccc(OCCOCCOc2cccc(Cl)c2Cl)c(OC)c1 ZINC000004701981 571042378 /nfs/dbraw/zinc/04/23/78/571042378.db2.gz DBFQNDZJSLZHHS-UHFFFAOYSA-N 0 0 397.298 5.205 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C ZINC000004474460 574412265 /nfs/dbraw/zinc/41/22/65/574412265.db2.gz QYSXJUFSXHHAJI-YRZJJWOYSA-N 0 0 384.648 7.619 50 30 endogenous,fda GKEARN Cc1ccc(COc2ccccc2/C=C2\C(=O)ON=C2c2ccc(C)cc2)cc1 ZINC000003628590 230831422 /nfs/dbraw/zinc/83/14/22/230831422.db2.gz LQTMPUARJMITAW-JCMHNJIXSA-N 0 0 383.447 5.227 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000004869665 230837929 /nfs/dbraw/zinc/83/79/29/230837929.db2.gz FQNASUHVEIABDG-WYMLVPIESA-N 0 0 397.474 5.603 50 30 GKEARN Cc1cc(C(=O)/C=C\c2ccc(COc3cccc(Cl)c3Cl)o2)n(C)n1 ZINC000006922178 230854004 /nfs/dbraw/zinc/85/40/04/230854004.db2.gz UFQVHYRUCQHKKB-HJWRWDBZSA-N 0 0 391.254 5.103 50 30 GKEARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC(C#N)CC2)c(C)s1 ZINC000072426640 230952207 /nfs/dbraw/zinc/95/22/07/230952207.db2.gz NLGKIFFARBFDFO-UHFFFAOYSA-N 0 0 394.519 5.092 50 30 GKEARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1SCCC#N ZINC000078668901 230954034 /nfs/dbraw/zinc/95/40/34/230954034.db2.gz ZOJNVTWRHMWTSI-LBPRGKRZSA-N 0 0 395.311 5.405 50 30 GKEARN O=C1C(=NNc2ccccc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000100327078 231006324 /nfs/dbraw/zinc/00/63/24/231006324.db2.gz PLGZBBRAGGMAJY-QQTULTPQSA-N 0 0 396.277 5.356 50 30 GKEARN O=C1C(=NNc2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 ZINC000100322647 231006359 /nfs/dbraw/zinc/00/63/59/231006359.db2.gz FPTCDKXYQLWIGU-CLCOLTQESA-N 0 0 382.250 5.488 50 30 GKEARN COc1ccc(/C=C\C(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1OC ZINC000096792733 231001049 /nfs/dbraw/zinc/00/10/49/231001049.db2.gz WQIISEQPCGLYDK-XQRVVYSFSA-N 0 0 385.218 5.054 50 30 GKEARN O=C(/C=C\c1ccccc1Br)c1ccc2c(c1)-c1ccccc1C2 ZINC000096791970 231001098 /nfs/dbraw/zinc/00/10/98/231001098.db2.gz IMRAIRWKLDMYJK-QXMHVHEDSA-N 0 0 375.265 5.916 50 30 GKEARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H]1CCCCC12CCCC2 ZINC000328594085 231046176 /nfs/dbraw/zinc/04/61/76/231046176.db2.gz OOYOJJQYSHKGJF-IBGZPJMESA-N 0 0 388.458 6.012 50 30 GKEARN COc1cc2c(cc1OC)[C@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000018197204 210216985 /nfs/dbraw/zinc/21/69/85/210216985.db2.gz VSLXGABPRQSZIQ-QHCPKHFHSA-N 0 0 377.484 5.392 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl ZINC000018181443 210217047 /nfs/dbraw/zinc/21/70/47/210217047.db2.gz XQQHNHILUJTGTP-HXUWFJFHSA-N 0 0 387.310 6.215 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1c(Cl)cccc1Cl)c1cc3c(cc1N2)OCO3 ZINC000018196711 210216233 /nfs/dbraw/zinc/21/62/33/210216233.db2.gz HTVHGQHWECTRCU-GOSISDBHSA-N 0 0 388.250 5.287 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(F)cc(F)c1 ZINC000018172865 210215225 /nfs/dbraw/zinc/21/52/25/210215225.db2.gz FJWVRMSGWBVEOK-QFIPXVFZSA-N 0 0 396.437 5.128 50 30 GKEARN O=C(NC1CCCCC1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 ZINC000018178664 210214773 /nfs/dbraw/zinc/21/47/73/210214773.db2.gz GUUSQYMOLUEMNQ-UCQKPKSFSA-N 0 0 382.529 5.146 50 30 GKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2cccc(Cl)c2)C12CCCC2 ZINC000005794846 529733701 /nfs/dbraw/zinc/73/37/01/529733701.db2.gz TTZNWGIAJIWUFC-UHFFFAOYSA-N 0 0 397.975 5.948 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1 ZINC000018067291 210213482 /nfs/dbraw/zinc/21/34/82/210213482.db2.gz IIBJLMRIIFWZGD-LJQANCHMSA-N 0 0 389.882 6.118 50 30 GKEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1 ZINC000004181267 529774890 /nfs/dbraw/zinc/77/48/90/529774890.db2.gz YTDFFERUNPWIBT-DLDCDJDYSA-N 0 0 393.490 5.881 50 30 GKEARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)oc2c(C)c1 ZINC000016268793 210186531 /nfs/dbraw/zinc/18/65/31/210186531.db2.gz SIXFTFUPDLCLSJ-UHFFFAOYSA-N 0 0 385.398 5.375 50 30 GKEARN CCc1ccc(C(=O)C=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016161443 210185798 /nfs/dbraw/zinc/18/57/98/210185798.db2.gz KLKIQGKLNRVMJF-BQYQJAHWSA-N 0 0 387.323 6.095 50 30 GKEARN O=C1/C(=C\C=C\c2ccccc2)S/C(=N/c2ccccc2)N1Cc1cccnc1 ZINC000101727289 120364471 /nfs/dbraw/zinc/36/44/71/120364471.db2.gz WJYLPPMQSAGZBI-UAOOYYGESA-N 0 0 397.503 5.442 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1)c1c(C)cccc1C ZINC000012975006 210038117 /nfs/dbraw/zinc/03/81/17/210038117.db2.gz ROOXUQMGHDBWRD-VAWYXSNFSA-N 0 0 394.471 5.480 50 30 GKEARN N#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C1 ZINC000012970743 210036012 /nfs/dbraw/zinc/03/60/12/210036012.db2.gz ASUPIQDEXIHRJY-AREMUKBSSA-N 0 0 394.905 6.505 50 30 GKEARN CSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N ZINC000012954298 210035840 /nfs/dbraw/zinc/03/58/40/210035840.db2.gz MOTXHPYFLWAMIF-PMJBJKLVSA-N 0 0 382.532 6.633 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC/C=C/c1ccccc1 ZINC000009344744 209824940 /nfs/dbraw/zinc/82/49/40/209824940.db2.gz VAZXVDLCNUEPEX-JXMROGBWSA-N 0 0 396.437 6.445 50 30 GKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 ZINC000008614913 209790189 /nfs/dbraw/zinc/79/01/89/209790189.db2.gz IRGBHIJAEIHSKH-UHFFFAOYSA-N 0 0 387.395 5.137 50 30 aggregator GKEARN COc1ccccc1[C@H]1Nc2cc(C)c(C)cc2NC2=C1C(=O)CC(C)(C)C2 ZINC000006275854 209641101 /nfs/dbraw/zinc/64/11/01/209641101.db2.gz MFXAWMGKEHRSBG-HSZRJFAPSA-N 0 0 376.500 5.534 50 30 GKEARN CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccc(Cl)cc1 ZINC000005862310 209618507 /nfs/dbraw/zinc/61/85/07/209618507.db2.gz SAVRXNNGRUCLAL-OAQYLSRUSA-N 0 0 399.947 5.093 50 30 GKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000005583532 209603502 /nfs/dbraw/zinc/60/35/02/209603502.db2.gz BFLCQEOKWOZWHI-NTEUORMPSA-N 0 0 382.794 5.250 50 30 GKEARN COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000005383711 209591393 /nfs/dbraw/zinc/59/13/93/209591393.db2.gz BAFHAARFUDTCRG-CQSZACIVSA-N 0 0 398.528 5.040 50 30 GKEARN COc1ccc(C(=O)C=C(C)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000005093025 209569780 /nfs/dbraw/zinc/56/97/80/209569780.db2.gz IFFKVHCJTXCLNZ-PKNBQFBNSA-N 0 0 380.669 5.310 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000005092440 209569114 /nfs/dbraw/zinc/56/91/14/209569114.db2.gz WWAVCBOISREDOL-BVZFJXPGSA-N 0 0 382.463 5.372 50 30 GKEARN O=C1C[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004986683 209555333 /nfs/dbraw/zinc/55/53/33/209555333.db2.gz FXKNPLAQRZKULA-ZYHUDNBSSA-N 0 0 392.307 5.059 50 30 GKEARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000004866050 209535761 /nfs/dbraw/zinc/53/57/61/209535761.db2.gz KJGJKAJOJUIJAQ-RGVLZGJSSA-N 0 0 378.413 5.219 50 30 GKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794630 209526421 /nfs/dbraw/zinc/52/64/21/209526421.db2.gz JGGDLNGATWWHBR-JOCHJYFZSA-N 0 0 377.484 5.213 50 30 GKEARN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1 ZINC000004704723 209515145 /nfs/dbraw/zinc/51/51/45/209515145.db2.gz ACVMTTFMUBASMH-MOSHPQCFSA-N 0 0 391.471 5.125 50 30 GKEARN N#CCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004529218 209493834 /nfs/dbraw/zinc/49/38/34/209493834.db2.gz SGXWKWVVMYKJNN-UHFFFAOYSA-N 0 0 386.709 6.895 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000004520973 209492523 /nfs/dbraw/zinc/49/25/23/209492523.db2.gz QAJXXEOBZRJIBV-STZFKDTASA-N 0 0 389.838 5.264 50 30 GKEARN O=C(C=CNc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000004480099 209489453 /nfs/dbraw/zinc/48/94/53/209489453.db2.gz ANGKPFDFPMQNDY-MDZDMXLPSA-N 0 0 381.067 5.020 50 30 GKEARN C(#Cc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1)c1ccccc1 ZINC000004414085 209486887 /nfs/dbraw/zinc/48/68/87/209486887.db2.gz DJDXSNHOXRUVKL-JMUJOHMKSA-N 0 0 385.470 7.252 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1 ZINC000004044534 209462056 /nfs/dbraw/zinc/46/20/56/209462056.db2.gz GTDAMOQWZBCSDN-QFIPXVFZSA-N 0 0 387.910 6.694 50 30 GKEARN N#Cc1c(-c2ccccc2)c2cc(Cl)ccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000004053691 209461709 /nfs/dbraw/zinc/46/17/09/209461709.db2.gz KLULEILRNYCKTA-UHFFFAOYSA-N 0 0 387.826 5.790 50 30 GKEARN O=[N+]([O-])c1ccc(N=NCc2c3ccccc3cc3ccccc32)c([N+](=O)[O-])c1 ZINC000004016169 209459203 /nfs/dbraw/zinc/45/92/03/209459203.db2.gz NUMAOWIOKLXBNM-LPYMAVHISA-N 0 0 386.367 5.255 50 30 GKEARN CCCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000003671197 209453128 /nfs/dbraw/zinc/45/31/28/209453128.db2.gz XDQQVUDIOGXBDB-HNNXBMFYSA-N 0 0 382.529 5.247 50 30 GKEARN N#Cc1c(SCc2cccc3ccccc32)nc2c(c1-c1ccco1)CCC2 ZINC000003418723 209434085 /nfs/dbraw/zinc/43/40/85/209434085.db2.gz ZPNGVHONXVKECB-UHFFFAOYSA-N 0 0 382.488 6.147 50 30 GKEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc(Cl)c(Cl)c4)c3)nc21 ZINC000003115323 209411649 /nfs/dbraw/zinc/41/16/49/209411649.db2.gz RJODHPLVVRCOPK-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN C=C[C@@H]1Oc2ccc(Cl)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000002927328 209399282 /nfs/dbraw/zinc/39/92/82/209399282.db2.gz RUYXBXQMOZOPDU-IBGZPJMESA-N 0 0 385.935 5.965 50 30 GKEARN Cc1ccc2nc(-c3cc(/N=C/C=C/c4ccc(Cl)cc4)ccc3O)oc2c1 ZINC000002896125 209395788 /nfs/dbraw/zinc/39/57/88/209395788.db2.gz VRDJVPRHUJQSJD-JRUCXRJDSA-N 0 0 388.854 6.578 50 30 GKEARN C(=N/c1ccc(/N=C/c2ccc3ccccc3c2)cc1)\c1ccc2ccccc2c1 ZINC000002816538 209388729 /nfs/dbraw/zinc/38/87/29/209388729.db2.gz HGWGGYVQMKPRGQ-CZYCKNNWSA-N 0 0 384.482 7.494 50 30 GKEARN CCCc1ccc(-c2c(C)sc(NC(=O)c3ccc(C)s3)c2C#N)cc1 ZINC000002770496 209383758 /nfs/dbraw/zinc/38/37/58/209383758.db2.gz OGFCMMHUEAJCBZ-UHFFFAOYSA-N 0 0 380.538 6.170 50 30 GKEARN CC[C@H](C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002738392 209380977 /nfs/dbraw/zinc/38/09/77/209380977.db2.gz GKBLBLUMSHRFAY-QMMMGPOBSA-N 0 0 395.265 5.607 50 30 GKEARN N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 ZINC000002747226 209381105 /nfs/dbraw/zinc/38/11/05/209381105.db2.gz JSBJGOQJSNOIGJ-UHFFFAOYSA-N 0 0 386.476 5.375 50 30 GKEARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002740050 209381110 /nfs/dbraw/zinc/38/11/10/209381110.db2.gz OZAGHDQOTXPWIM-ZDUSSCGKSA-N 0 0 388.920 5.257 50 30 GKEARN O=C(Nc1ccccc1OC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002658653 209375056 /nfs/dbraw/zinc/37/50/56/209375056.db2.gz RPKZVPLWUGZSCU-UHFFFAOYSA-N 0 0 399.237 5.578 50 30 GKEARN N#Cc1c(N)c(C(=O)c2ccc(Cl)c(Cl)c2)sc1Nc1ccccc1 ZINC000002381127 209359867 /nfs/dbraw/zinc/35/98/67/209359867.db2.gz IKQJUHAEGPRAQM-UHFFFAOYSA-N 0 0 388.279 5.483 50 30 GKEARN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000002308203 209355962 /nfs/dbraw/zinc/35/59/62/209355962.db2.gz MCQXUFDEDLQDDO-VQHVLOKHSA-N 0 0 391.323 5.847 50 30 GKEARN CCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000002293618 209354751 /nfs/dbraw/zinc/35/47/51/209354751.db2.gz STJBVBHZERQOIV-UHFFFAOYSA-N 0 0 387.336 6.002 50 30 GKEARN Cc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1C ZINC000002270077 209353783 /nfs/dbraw/zinc/35/37/83/209353783.db2.gz LROQMVDJLABLQK-UHFFFAOYSA-N 0 0 379.510 5.029 50 30 GKEARN Cc1cc(=O)oc2c3c(ccc12)oc(/C(=N/O)c1ccccc1)c3-c1ccccc1 ZINC000002240820 209352099 /nfs/dbraw/zinc/35/20/99/209352099.db2.gz YHXRZQHNXHLRMK-WNAAXNPUSA-N 0 0 395.414 5.741 50 30 GKEARN CCCc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002206852 209349609 /nfs/dbraw/zinc/34/96/09/209349609.db2.gz DQYMYDUMXSAAJT-RUZDIDTESA-N 0 0 383.516 6.506 50 30 GKEARN Cc1c(/C=C/C(=O)Sc2c(Cl)cccc2Cl)sc2ccccc12 ZINC000002151724 209348861 /nfs/dbraw/zinc/34/88/61/209348861.db2.gz ZFTVSCAKOJKBSB-MDZDMXLPSA-N 0 0 379.333 6.849 50 30 GKEARN CCc1c(C)sc(NC(=O)CCCOc2ccc(Cl)cc2C)c1C#N ZINC000002080190 209346593 /nfs/dbraw/zinc/34/65/93/209346593.db2.gz HTBUDSXVNYGMIF-UHFFFAOYSA-N 0 0 376.909 5.250 50 30 GKEARN CCc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002070687 209344911 /nfs/dbraw/zinc/34/49/11/209344911.db2.gz COWDEZSXEYOZRN-AREMUKBSSA-N 0 0 381.519 6.712 50 30 GKEARN Cc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O ZINC000001878408 209341950 /nfs/dbraw/zinc/34/19/50/209341950.db2.gz WHGGUFIHZWJRPF-BHGWPJFGSA-N 0 0 397.261 6.566 50 30 GKEARN O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cccc(Cl)c1 ZINC000001883929 209341125 /nfs/dbraw/zinc/34/11/25/209341125.db2.gz GVXWXPBBUCNLQL-YDZHTSKRSA-N 0 0 398.687 6.084 50 30 GKEARN CCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 ZINC000001823015 209340396 /nfs/dbraw/zinc/34/03/96/209340396.db2.gz SEBZFHSXNKVDHU-UHFFFAOYSA-N 0 0 381.538 5.075 50 30 GKEARN CCOc1ccc(/N=C2\c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000001409956 209326872 /nfs/dbraw/zinc/32/68/72/209326872.db2.gz NYNRNYMZNADYAA-YUBSNBEWSA-N 0 0 392.499 5.237 50 30 GKEARN N#C[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F ZINC000001389998 209325352 /nfs/dbraw/zinc/32/53/52/209325352.db2.gz UDMZOHBYSQKRPJ-SNVBAGLBSA-N 0 0 382.172 5.611 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1O ZINC000001508559 209331464 /nfs/dbraw/zinc/33/14/64/209331464.db2.gz LUWWGYIQCNESEO-MFKUBSTISA-N 0 0 385.419 5.315 50 30 GKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(O)c2)C2=C1CC(C)(C)CC2=O ZINC000001461731 209329867 /nfs/dbraw/zinc/32/98/67/209329867.db2.gz YKQPJVTWFALNFD-UHFFFAOYSA-N 0 0 393.527 5.098 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000001231210 209315829 /nfs/dbraw/zinc/31/58/29/209315829.db2.gz JYJDXNYISUIMEM-UHFFFAOYSA-N 0 0 379.209 5.172 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1cccs1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001216263 209314590 /nfs/dbraw/zinc/31/45/90/209314590.db2.gz UFPYOCJELMMWDZ-BXKMTCNYSA-N 0 0 386.520 6.036 50 30 GKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001199359 209313568 /nfs/dbraw/zinc/31/35/68/209313568.db2.gz SQBJWHNRKHPMAE-BCHFMIIMSA-N 0 0 396.490 5.675 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)s1 ZINC000001066417 209295533 /nfs/dbraw/zinc/29/55/33/209295533.db2.gz FOFOYQPHUBDCMX-MZNJEOGPSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1nc(-c2cc(C#N)c(Oc3ccc(C(F)(F)F)cc3)nc2C)cs1 ZINC000001046986 209292877 /nfs/dbraw/zinc/29/28/77/209292877.db2.gz PXZHTBYUAODMKT-UHFFFAOYSA-N 0 0 375.375 5.505 50 30 GKEARN N#Cc1c(OCc2ccc(F)cc2)nc(-c2cccs2)cc1-c1ccco1 ZINC000001036649 209291775 /nfs/dbraw/zinc/29/17/75/209291775.db2.gz XOSRPRWGWWDQPS-UHFFFAOYSA-N 0 0 376.412 5.660 50 30 GKEARN COc1nc2c(c(-c3cc(Br)cs3)c1C#N)Cc1ccccc1-2 ZINC000001025252 209290656 /nfs/dbraw/zinc/29/06/56/209290656.db2.gz WFINCTGWSYOJLU-UHFFFAOYSA-N 0 0 383.270 5.024 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 ZINC000000974255 209285413 /nfs/dbraw/zinc/28/54/13/209285413.db2.gz UFGIYFPSYNNRJK-BCHFMIIMSA-N 0 0 396.490 5.680 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccc3ncccc3c12 ZINC000000924076 209278611 /nfs/dbraw/zinc/27/86/11/209278611.db2.gz PPTDQWOCDLUAMI-QFIPXVFZSA-N 0 0 394.396 5.927 50 30 GKEARN C=C[C@H]1Oc2ccc([N+](=O)[O-])cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000000899043 209277740 /nfs/dbraw/zinc/27/77/40/209277740.db2.gz WWCNDPKLTWGVMS-LJQANCHMSA-N 0 0 396.487 5.220 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000000883424 209276148 /nfs/dbraw/zinc/27/61/48/209276148.db2.gz DWQCXGIDZWLKIY-YEJXKQKISA-N 0 0 378.522 5.789 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)cc1)OCO3 ZINC000000816102 209268498 /nfs/dbraw/zinc/26/84/98/209268498.db2.gz PWIFEWLCUISRPA-FQEVSTJZSA-N 0 0 381.859 5.269 50 30 GKEARN Cc1ccc(/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000000793475 209265665 /nfs/dbraw/zinc/26/56/65/209265665.db2.gz BWKWFDPGFLDBGO-UFFVCSGVSA-N 0 0 375.211 6.221 50 30 GKEARN CC1(C)Cc2nc(S[C@@H]3C=CCCC3)c(C#N)c(-c3ccccc3)c2C(=O)C1 ZINC000000755773 209263711 /nfs/dbraw/zinc/26/37/11/209263711.db2.gz WQNNCFMXOLPYQJ-QGZVFWFLSA-N 0 0 388.536 5.976 50 30 GKEARN CCOC(=O)c1c(/N=C/c2c(OC)ccc3ccccc32)sc2c1CCC2 ZINC000000792678 209264688 /nfs/dbraw/zinc/26/46/88/209264688.db2.gz UCXQVHRHMQZGQT-YDZHTSKRSA-N 0 0 379.481 5.326 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(O)c(O)c1 ZINC000000754927 209264313 /nfs/dbraw/zinc/26/43/13/209264313.db2.gz PGVDUACKRTUDIA-XMMPIXPASA-N 0 0 385.463 5.561 50 30 GKEARN COc1ccc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000709584 209262327 /nfs/dbraw/zinc/26/23/27/209262327.db2.gz NOCGDTJPBHDNOL-QHCPKHFHSA-N 0 0 392.499 5.234 50 30 GKEARN N#Cc1ccc(-c2cccs2)nc1SCc1ccc(Br)cc1 ZINC000000706047 209260689 /nfs/dbraw/zinc/26/06/89/209260689.db2.gz DFYMOAGADKASCF-UHFFFAOYSA-N 0 0 387.327 5.737 50 30 GKEARN Cc1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)ccc1[N+](=O)[O-] ZINC000000705290 209260485 /nfs/dbraw/zinc/26/04/85/209260485.db2.gz NRMZXZRGDCCGEH-FSJBWODESA-N 0 0 391.452 5.726 50 30 GKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000689376 209258807 /nfs/dbraw/zinc/25/88/07/209258807.db2.gz FVLVFJOFMANKTB-JOCHJYFZSA-N 0 0 378.472 5.013 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000000666975 209257084 /nfs/dbraw/zinc/25/70/84/209257084.db2.gz KJJWPCRUSOFZDL-ATVHPVEESA-N 0 0 394.224 5.054 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(OC)cc3)sc2C1 ZINC000000671847 209257665 /nfs/dbraw/zinc/25/76/65/209257665.db2.gz XZHOBWJEHFZRTJ-OAHLLOKOSA-N 0 0 382.529 5.422 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000009015337 209249054 /nfs/dbraw/zinc/24/90/54/209249054.db2.gz OPARSPAKYAGGTC-OAQYLSRUSA-N 0 0 395.474 5.293 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccco3)C12 ZINC000009110470 209248466 /nfs/dbraw/zinc/24/84/66/209248466.db2.gz DJCDGSVNDVIMCJ-HJPURHCSSA-N 0 0 381.435 5.045 50 30 GKEARN C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c(O)c1 ZINC000013121705 209234947 /nfs/dbraw/zinc/23/49/47/209234947.db2.gz UKIPBKJEMUBHFG-UHFFFAOYSA-N 0 0 385.261 5.167 50 30 GKEARN CC(C)OC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002060046 212263399 /nfs/dbraw/zinc/26/33/99/212263399.db2.gz ZPRUXDNWEZIYPO-UHFFFAOYSA-N 0 0 388.492 5.331 50 30 GKEARN CCCCCCCCCC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000002062990 212263153 /nfs/dbraw/zinc/26/31/53/212263153.db2.gz DUXHNZHPUCTOSF-UHFFFAOYSA-N 0 0 393.483 5.533 50 30 GKEARN S=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1 ZINC000001877930 212259297 /nfs/dbraw/zinc/25/92/97/212259297.db2.gz CKYSQOYORVZBCB-SRZZPIQSSA-N 0 0 390.295 5.574 50 30 GKEARN Cc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc4c(c3)OCO4)ccc2o1 ZINC000001879421 212258301 /nfs/dbraw/zinc/25/83/01/212258301.db2.gz XSIRZMJQRZAOGC-MLZQUUFASA-N 0 0 382.419 5.948 50 30 GKEARN CCCCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000001816099 212257691 /nfs/dbraw/zinc/25/76/91/212257691.db2.gz ZELOQKDGCNYPGU-GBXCKJPGSA-N 0 0 378.560 6.716 50 30 GKEARN CCCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)ccc1O ZINC000001832475 212256654 /nfs/dbraw/zinc/25/66/54/212256654.db2.gz ZYOMVMSPRQITJN-UHFFFAOYSA-N 0 0 399.966 6.758 50 30 GKEARN CCOc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1 ZINC000001511736 212249118 /nfs/dbraw/zinc/24/91/18/212249118.db2.gz VPLNNRDOXFMMCD-ZMOGYAJESA-N 0 0 392.842 6.003 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001441347 212245029 /nfs/dbraw/zinc/24/50/29/212245029.db2.gz DVIFPBLFBQYOIO-OAQYLSRUSA-N 0 0 399.450 5.344 50 30 GKEARN COc1ccc(C2CC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C(=O)C2)cc1 ZINC000001212055 212229429 /nfs/dbraw/zinc/22/94/29/212229429.db2.gz CABXRALGTJDSKC-UHFFFAOYSA-N 0 0 390.266 5.014 50 30 GKEARN N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(F)c1 ZINC000001171986 212224741 /nfs/dbraw/zinc/22/47/41/212224741.db2.gz JWJVYFLKROVTHQ-UHFFFAOYSA-N 0 0 391.789 5.411 50 30 GKEARN N#Cc1c(S[C@@H]2CCCCC2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000001141351 212221911 /nfs/dbraw/zinc/22/19/11/212221911.db2.gz CMJALZODBFVTKZ-OAHLLOKOSA-N 0 0 382.432 5.304 50 30 GKEARN N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccncc1 ZINC000001125978 212220005 /nfs/dbraw/zinc/22/00/05/212220005.db2.gz FIIFWWYYQIABKY-UHFFFAOYSA-N 0 0 391.546 6.098 50 30 GKEARN COc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000001091597 212216180 /nfs/dbraw/zinc/21/61/80/212216180.db2.gz YRBITBFCIKYLTO-LPYMAVHISA-N 0 0 383.289 5.616 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 ZINC000001076900 212215666 /nfs/dbraw/zinc/21/56/66/212215666.db2.gz WJALYJZEKZQZGL-AFMDSPMNSA-N 0 0 398.481 6.114 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccs1 ZINC000001079491 212214858 /nfs/dbraw/zinc/21/48/58/212214858.db2.gz HJVAGIZBGKWNIS-CYBMUJFWSA-N 0 0 387.451 5.190 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccccc1C(F)(F)F ZINC000001080103 212214957 /nfs/dbraw/zinc/21/49/57/212214957.db2.gz PCHTXMBZAUDTFN-CYBMUJFWSA-N 0 0 391.414 5.295 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3[N+](=O)[O-])C12 ZINC000001074073 212213784 /nfs/dbraw/zinc/21/37/84/212213784.db2.gz WCZYGSJUTIQWNG-JOCHJYFZSA-N 0 0 386.432 5.461 50 30 GKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H]1CCCO1 ZINC000001049279 212209464 /nfs/dbraw/zinc/20/94/64/212209464.db2.gz PBPPASXCOPJRQG-VQIMIIECSA-N 0 0 389.282 5.075 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000000980616 212200988 /nfs/dbraw/zinc/20/09/88/212200988.db2.gz PPPPGBFWSTUHGB-UHFFFAOYSA-N 0 0 395.380 5.576 50 30 GKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2cc3ccccc3o2)cc1C ZINC000000945301 212198654 /nfs/dbraw/zinc/19/86/54/212198654.db2.gz YIIFJLLPSIFLFZ-CLJLJLNGSA-N 0 0 398.458 5.951 50 30 GKEARN CCc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000870004 212191980 /nfs/dbraw/zinc/19/19/80/212191980.db2.gz WBURBRWIKXNCLT-VWLOTQADSA-N 0 0 382.507 6.107 50 30 GKEARN Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)o1 ZINC000000872429 212190867 /nfs/dbraw/zinc/19/08/67/212190867.db2.gz BKBCGTRFLVIMJL-XMMPIXPASA-N 0 0 398.462 5.405 50 30 GKEARN N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1cccnc1 ZINC000000803818 212182336 /nfs/dbraw/zinc/18/23/36/212182336.db2.gz RPRMIBCTUUEKDI-UHFFFAOYSA-N 0 0 391.546 6.098 50 30 GKEARN CCc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000000809894 212184348 /nfs/dbraw/zinc/18/43/48/212184348.db2.gz CUBYMLRYCOHBDN-OAQYLSRUSA-N 0 0 383.491 5.187 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000815777 212184140 /nfs/dbraw/zinc/18/41/40/212184140.db2.gz RDSXILGVSCBBIY-WNSKOXEYSA-N 0 0 388.492 5.433 50 30 GKEARN COc1ccc(OC)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1 ZINC000000727624 212177742 /nfs/dbraw/zinc/17/77/42/212177742.db2.gz FWVSAJAQOABOBG-VWLOTQADSA-N 0 0 385.463 5.530 50 30 GKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000000721228 212177632 /nfs/dbraw/zinc/17/76/32/212177632.db2.gz AEASYVZYAQJXBT-DTKKNGCVSA-N 0 0 395.458 5.178 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718169 212176501 /nfs/dbraw/zinc/17/65/01/212176501.db2.gz DECVIFBAUGYMJO-SZNDQCEHSA-N 0 0 378.522 5.789 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(ccc3ncccc31)N2 ZINC000000718251 212176701 /nfs/dbraw/zinc/17/67/01/212176701.db2.gz NIHBAPUSELJTSH-FQEVSTJZSA-N 0 0 395.289 6.106 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc2c(c1)OCO2 ZINC000000754937 212179622 /nfs/dbraw/zinc/17/96/22/212179622.db2.gz NQUBFKFTUAFLBN-VWLOTQADSA-N 0 0 397.474 5.878 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Cl)cc1 ZINC000000663005 212171160 /nfs/dbraw/zinc/17/11/60/212171160.db2.gz NNGLOGDPJVKHKT-CTNGQTDRSA-N 0 0 389.882 5.382 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 ZINC000000687043 212175595 /nfs/dbraw/zinc/17/55/95/212175595.db2.gz CSFSKNMOYYRLSG-JTQLQIEISA-N 0 0 395.311 5.069 50 30 GKEARN COc1ccc([C@H]2CC(=O)C=C(Nc3cc(Cl)cc(Cl)c3)C2)cc1OC ZINC000000647532 212169214 /nfs/dbraw/zinc/16/92/14/212169214.db2.gz ISQYWQTZHYNASV-CYBMUJFWSA-N 0 0 392.282 5.453 50 30 GKEARN COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(C#N)cc2)cc1 ZINC000000600771 212164286 /nfs/dbraw/zinc/16/42/86/212164286.db2.gz RYNSGDFWBJWWSZ-UHFFFAOYSA-N 0 0 383.403 5.220 50 30 in-vitro GKEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\C1=Cc2ccccc2OC1 ZINC000006193144 212148629 /nfs/dbraw/zinc/14/86/29/212148629.db2.gz LZNRPCZCGZQZHD-CFRMEGHHSA-N 0 0 382.415 5.201 50 30 biogenic GKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\C=C\c1ccccc1 ZINC000008765277 212148646 /nfs/dbraw/zinc/14/86/46/212148646.db2.gz XVNKBCYGGXNMLG-RTNGXHSKSA-N 0 0 380.443 5.951 50 30 biogenic GKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005854101 212148431 /nfs/dbraw/zinc/14/84/31/212148431.db2.gz DQYJVKPUKODMLQ-HAHDFKILSA-N 0 0 398.458 5.921 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000005155830 212145796 /nfs/dbraw/zinc/14/57/96/212145796.db2.gz HJZFZOUXMNRMMG-WQRHYEAKSA-N 0 0 396.851 5.545 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 ZINC000002296451 212102199 /nfs/dbraw/zinc/10/21/99/212102199.db2.gz GTNZEPGSMAUVEU-UHFFFAOYSA-N 0 0 398.553 5.003 50 30 GKEARN C=CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCC1)Cc1ccccc1-2 ZINC000002361967 212102135 /nfs/dbraw/zinc/10/21/35/212102135.db2.gz WRIWQWZKCIDTPW-UHFFFAOYSA-N 0 0 378.541 5.132 50 30 biogenic GKEARN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 ZINC000002147057 212101840 /nfs/dbraw/zinc/10/18/40/212101840.db2.gz LJRPBZOLWVYPRQ-OEAKJJBVSA-N 0 0 380.285 6.087 50 30 GKEARN C=CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002372114 212101920 /nfs/dbraw/zinc/10/19/20/212101920.db2.gz XRMSFWDCAARFGG-UHFFFAOYSA-N 0 0 392.568 5.523 50 30 biogenic GKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@@H](C)CC3 ZINC000002314924 212101752 /nfs/dbraw/zinc/10/17/52/212101752.db2.gz KSTBRDRVYYXSNC-AWEZNQCLSA-N 0 0 382.554 5.061 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(F)cc1 ZINC000002431313 212102549 /nfs/dbraw/zinc/10/25/49/212102549.db2.gz UDNQPBMNJPIPTK-UHFFFAOYSA-N 0 0 394.302 5.869 50 30 GKEARN C(#Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1)c1ccccc1 ZINC000002186220 212101059 /nfs/dbraw/zinc/10/10/59/212101059.db2.gz NJPJPAWLGHFVFY-UHFFFAOYSA-N 0 0 396.493 6.811 50 30 GKEARN C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1C1CCCCC1 ZINC000007978391 212095859 /nfs/dbraw/zinc/09/58/59/212095859.db2.gz CIYQKKFSCZTWHS-UHFFFAOYSA-N 0 0 399.560 5.405 50 30 GKEARN O=C1c2ccc(C#Cc3ccccc3)cc2-c2cc(C#Cc3ccccc3)ccc21 ZINC000004866079 212080282 /nfs/dbraw/zinc/08/02/82/212080282.db2.gz JMCOPXLBYUSDPP-UHFFFAOYSA-N 0 0 380.446 5.698 50 30 GKEARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34O[C@@H]3C[C@H]3CCCC[C@]3(C)[C@@H]4CC[C@@]21C ZINC000257349911 212029365 /nfs/dbraw/zinc/02/93/65/212029365.db2.gz SLVVDBKKWZJQDM-QGNGVVCDSA-N 0 0 398.675 7.651 50 30 GKEARN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)=C2C=CC(=O)c3ccccc32)cc1 ZINC000004773381 203753868 /nfs/dbraw/zinc/75/38/68/203753868.db2.gz GYBZKCCRWKWSDN-UHFFFAOYSA-N 0 0 394.518 5.530 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@H](C(C)(C)C)C3 ZINC000002270746 203778875 /nfs/dbraw/zinc/77/88/75/203778875.db2.gz HRUGGXZFWTVWFP-AWEZNQCLSA-N 0 0 388.602 5.463 50 30 GKEARN C=CCc1ccccc1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000018194624 203782091 /nfs/dbraw/zinc/78/20/91/203782091.db2.gz LOCYNVGSSKNVNR-UHFFFAOYSA-N 0 0 376.499 6.786 50 30 GKEARN CC(C)OC(=O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000000658613 203845534 /nfs/dbraw/zinc/84/55/34/203845534.db2.gz NCELXEOOVCGSAU-UHFFFAOYSA-N 0 0 394.521 5.392 50 30 GKEARN C=C(C)COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)OCC)cc1)c2=O ZINC000002152991 203824220 /nfs/dbraw/zinc/82/42/20/203824220.db2.gz IPHYOHXKGMIFOM-UHFFFAOYSA-N 0 0 394.423 5.025 50 30 biogenic GKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001199363 203895329 /nfs/dbraw/zinc/89/53/29/203895329.db2.gz SQBJWHNRKHPMAE-SIBVEZHUSA-N 0 0 396.490 5.675 50 30 GKEARN CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000712467 203849618 /nfs/dbraw/zinc/84/96/18/203849618.db2.gz BKMRHUMIGHEKIN-SANMLTNESA-N 0 0 397.518 6.548 50 30 GKEARN CCCc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000000795140 203852681 /nfs/dbraw/zinc/85/26/81/203852681.db2.gz UXVJAUHVSGAZQX-JOCHJYFZSA-N 0 0 397.518 5.577 50 30 GKEARN COc1ccc(Cn2c(N)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001077610 203881063 /nfs/dbraw/zinc/88/10/63/203881063.db2.gz FPSHPZOYTSHELG-UHFFFAOYSA-N 0 0 379.463 5.333 50 30 GKEARN Cc1cccc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(Cl)cc2)c1 ZINC000001383054 203905270 /nfs/dbraw/zinc/90/52/70/203905270.db2.gz GVPIVYRZPSJDRY-UHFFFAOYSA-N 0 0 378.884 5.924 50 30 GKEARN O=C(Nc1cccc(SC(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000001794223 203920169 /nfs/dbraw/zinc/92/01/69/203920169.db2.gz YQADVIYHIWECDG-UHFFFAOYSA-N 0 0 387.251 5.246 50 30 GKEARN Cc1ccc(C(=O)C(C(=O)/C=C/c2ccccc2)=C2SCCCS2)cc1 ZINC000002049022 203925131 /nfs/dbraw/zinc/92/51/31/203925131.db2.gz XITBDTBJAXNHOO-JLHYYAGUSA-N 0 0 380.534 5.542 50 30 GKEARN Cc1cc(SCc2ccc(Cl)cc2Cl)n2c3ccccc3nc2c1C#N ZINC000002443724 203945867 /nfs/dbraw/zinc/94/58/67/203945867.db2.gz MKVHYUWWYSTIDV-UHFFFAOYSA-N 0 0 398.318 6.267 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000002839574 203967071 /nfs/dbraw/zinc/96/70/71/203967071.db2.gz QVOFARWMWCRZRH-YZSQISJMSA-N 0 0 399.563 6.869 50 30 GKEARN COc1ccc([C@@H](c2ccc(Cl)cc2)[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000003086245 203985626 /nfs/dbraw/zinc/98/56/26/203985626.db2.gz SPFDCCGTBRZWAV-FCHUYYIVSA-N 0 0 382.290 6.441 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1C ZINC000003113656 203986315 /nfs/dbraw/zinc/98/63/15/203986315.db2.gz OPKZEVRHURSTGQ-BRJLIKDPSA-N 0 0 395.289 7.169 50 30 GKEARN Cc1ccccc1Sc1ccc(NC(=O)c2cccc(Cl)c2)cc1C#N ZINC000003104524 203986735 /nfs/dbraw/zinc/98/67/35/203986735.db2.gz XAKHNQPXGXHRND-UHFFFAOYSA-N 0 0 378.884 5.924 50 30 GKEARN O=S(=O)(/N=C(\Sc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000003123810 203986779 /nfs/dbraw/zinc/98/67/79/203986779.db2.gz ZJRAJXNBOUSIOE-VZCXRCSSSA-N 0 0 387.913 5.268 50 30 GKEARN N#Cc1cc(C(=O)C(F)(F)F)c(-c2ccccc2)nc1SCc1ccccc1 ZINC000003174860 203987653 /nfs/dbraw/zinc/98/76/53/203987653.db2.gz ALFTXLAHSZZNHW-UHFFFAOYSA-N 0 0 398.409 5.658 50 30 GKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C)c(C#N)c1 ZINC000002543591 203949737 /nfs/dbraw/zinc/94/97/37/203949737.db2.gz KVWMMNMLWKTILB-UHFFFAOYSA-N 0 0 386.238 5.389 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(F)cc1 ZINC000004377870 204041985 /nfs/dbraw/zinc/04/19/85/204041985.db2.gz UYVFXNMGLBSIQO-VWNXMTODSA-N 0 0 388.438 5.298 50 30 GKEARN Cc1cccc(Cn2cccc2/C=N/NC(=S)Nc2c(C)cc(C)cc2C)c1 ZINC000003587546 204013695 /nfs/dbraw/zinc/01/36/95/204013695.db2.gz IFCXNQNWSCUANJ-ZVHZXABRSA-N 0 0 390.556 5.091 50 30 GKEARN Cc1ccc(NC(=S)N/N=C/c2cccn2Cc2ccccc2Cl)c(C)c1 ZINC000003587246 204014418 /nfs/dbraw/zinc/01/44/18/204014418.db2.gz LGMOBFMMMILPFP-YDZHTSKRSA-N 0 0 396.947 5.127 50 30 GKEARN Cc1ccc(-c2nc3sccn3c2/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000004003174 204022883 /nfs/dbraw/zinc/02/28/83/204022883.db2.gz KCTFNKVKBVIJSO-ZHACJKMWSA-N 0 0 378.884 5.921 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(Cl)cc1 ZINC000004036863 204024056 /nfs/dbraw/zinc/02/40/56/204024056.db2.gz YEHJKNCWTNEIRG-NRFANRHFSA-N 0 0 388.898 6.089 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1Cl ZINC000004044537 204024996 /nfs/dbraw/zinc/02/49/96/204024996.db2.gz QLPRWVNIPWZEEB-QHCPKHFHSA-N 0 0 387.910 6.694 50 30 GKEARN CC1(C)CC(=O)C=C(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC000004154992 204030382 /nfs/dbraw/zinc/03/03/82/204030382.db2.gz OKNVRVKGXGRYKE-UHFFFAOYSA-N 0 0 382.463 6.170 50 30 GKEARN Cc1cccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2cccc(C)c2)c1 ZINC000004184084 204031036 /nfs/dbraw/zinc/03/10/36/204031036.db2.gz BEZZKSUBDJQIIF-UHFFFAOYSA-N 0 0 396.519 5.715 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000004179107 204031734 /nfs/dbraw/zinc/03/17/34/204031734.db2.gz QKNQRDRBZZWDCP-UHFFFAOYSA-N 0 0 394.462 5.158 50 30 GKEARN Cc1cc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc2c(C)c1 ZINC000004273290 204035055 /nfs/dbraw/zinc/03/50/55/204035055.db2.gz WWSAWXSKHJYNCB-UHFFFAOYSA-N 0 0 398.491 5.027 50 30 GKEARN N#Cc1c(/N=C/c2cccc(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000004713403 204068417 /nfs/dbraw/zinc/06/84/17/204068417.db2.gz MRTSBMWVCIZMDF-JVWAILMASA-N 0 0 382.850 6.889 50 30 GKEARN COc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cccs1)CCC2 ZINC000004723885 204069550 /nfs/dbraw/zinc/06/95/50/204069550.db2.gz HALGFILTSACXDM-CIAFOILYSA-N 0 0 382.510 5.310 50 30 GKEARN CCN(CC)P(=N/N=N/c1ccccc1C#N)(N(CC)CC)N(CC)CC ZINC000004779383 204075484 /nfs/dbraw/zinc/07/54/84/204075484.db2.gz WUNOLKOLLXYPJB-QURGRASLSA-N 0 0 391.504 5.529 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccco4)on3)sc2C1 ZINC000004881123 204085334 /nfs/dbraw/zinc/08/53/34/204085334.db2.gz GACVMHWCVVIXCG-GFCCVEGCSA-N 0 0 395.484 5.271 50 30 GKEARN Clc1ccc(Cl)c(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000004893306 204087152 /nfs/dbraw/zinc/08/71/52/204087152.db2.gz OPPPLYYTTNOCDL-UFFVCSGVSA-N 0 0 388.279 6.309 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1c(F)cccc1Cl ZINC000004920009 204092468 /nfs/dbraw/zinc/09/24/68/204092468.db2.gz BDBNDHWIWLHYRZ-IERDGZPVSA-N 0 0 386.850 5.107 50 30 GKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CC/C1=C\c1ccc(Cl)cc1Cl ZINC000004482196 204046923 /nfs/dbraw/zinc/04/69/23/204046923.db2.gz IXJAKPMSFCFUDZ-FNCQTZNRSA-N 0 0 398.116 7.130 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccccc2Br)o1 ZINC000004520998 204050005 /nfs/dbraw/zinc/05/00/05/204050005.db2.gz DDWUNFGSRDLHEZ-VBKFSLOCSA-N 0 0 394.224 5.054 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004913960 204091344 /nfs/dbraw/zinc/09/13/44/204091344.db2.gz YXUCIVWFSUIMOF-NEPJUHHUSA-N 0 0 392.307 5.059 50 30 GKEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000004577783 204054767 /nfs/dbraw/zinc/05/47/67/204054767.db2.gz UPIMBIJWHAAOLD-KGENOOAVSA-N 0 0 376.372 5.006 50 30 GKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000004608599 204057480 /nfs/dbraw/zinc/05/74/80/204057480.db2.gz PWBDRLISQDMXQZ-ATVHPVEESA-N 0 0 399.899 5.192 50 30 GKEARN CCCCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004614137 204057896 /nfs/dbraw/zinc/05/78/96/204057896.db2.gz ZURYUISJMNACHP-DEOSSOPVSA-N 0 0 390.527 6.087 50 30 GKEARN N#Cc1cc(C#N)c(C23CC4CC(CC(C4)C2)C3)nc1C12CC3CC(CC(C3)C1)C2 ZINC000004661758 204061092 /nfs/dbraw/zinc/06/10/92/204061092.db2.gz GWAOGKGAMCVPNW-UHFFFAOYSA-N 0 0 397.566 5.761 50 30 GKEARN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000004690747 204064129 /nfs/dbraw/zinc/06/41/29/204064129.db2.gz IHSWNSKDCHNRRF-CYBMUJFWSA-N 0 0 376.481 5.159 50 30 GKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000005102711 204112202 /nfs/dbraw/zinc/11/22/02/204112202.db2.gz PPTKSUDPTWRSLB-QHCPKHFHSA-N 0 0 384.435 5.100 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000005175586 204116217 /nfs/dbraw/zinc/11/62/17/204116217.db2.gz IXNQOUFNDHVYJK-QFIPXVFZSA-N 0 0 394.902 5.503 50 30 GKEARN CCCOC(=O)c1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000005261262 204121500 /nfs/dbraw/zinc/12/15/00/204121500.db2.gz DMHGGIGZHHMRAY-YZSQISJMSA-N 0 0 384.479 6.132 50 30 GKEARN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc(-c2ccccc2)cc1 ZINC000005269569 204123097 /nfs/dbraw/zinc/12/30/97/204123097.db2.gz NEHSUKXBOIRTPY-JVWAILMASA-N 0 0 398.535 6.073 50 30 GKEARN Fc1ccc(-c2sc(N=NCc3ccc(Cl)cc3)nc2C(F)(F)F)cc1 ZINC000004955958 204095759 /nfs/dbraw/zinc/09/57/59/204095759.db2.gz MOGAFWSYDVBEKY-NUGSKGIGSA-N 0 0 399.800 6.067 50 30 GKEARN CCN(CC)c1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 ZINC000004953388 204096004 /nfs/dbraw/zinc/09/60/04/204096004.db2.gz HFBIZSATLONXED-UYRXBGFRSA-N 0 0 399.947 5.386 50 30 GKEARN CCOC(=O)c1sc2c(c1C)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004948559 204096353 /nfs/dbraw/zinc/09/63/53/204096353.db2.gz IUVKXIHZVQAMMP-SFHVURJKSA-N 0 0 395.524 5.434 50 30 GKEARN N#CC(=NNc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc32)cs1 ZINC000005023473 204103848 /nfs/dbraw/zinc/10/38/48/204103848.db2.gz UOQQXBAVHUJQFT-LGUFXXKBSA-N 0 0 388.883 5.956 50 30 GKEARN Clc1cccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000005052116 204107162 /nfs/dbraw/zinc/10/71/62/204107162.db2.gz NHRCBJUUWOQQDC-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN CN(C)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000005049739 204107747 /nfs/dbraw/zinc/10/77/47/204107747.db2.gz SVJKOIDXRFGFKY-CAPFRKAQSA-N 0 0 384.504 5.786 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Br)c1 ZINC000005090807 204109309 /nfs/dbraw/zinc/10/93/09/204109309.db2.gz WOAGWKCGXQPAPI-HXUWFJFHSA-N 0 0 397.316 5.671 50 30 GKEARN CC(C)c1ccc(/N=C2\NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005862626 204153897 /nfs/dbraw/zinc/15/38/97/204153897.db2.gz YSLAIIWUSDLCIJ-KRWDZBQOSA-N 0 0 393.339 5.579 50 30 GKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)COc2ccc(Cl)cc2)c1C#N ZINC000005937971 204158531 /nfs/dbraw/zinc/15/85/31/204158531.db2.gz BHTWRHZXNPPSEH-UHFFFAOYSA-N 0 0 385.895 5.153 50 30 GKEARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005938216 204158941 /nfs/dbraw/zinc/15/89/41/204158941.db2.gz SYQCDCXKDILRAW-UHFFFAOYSA-N 0 0 385.666 5.769 50 30 GKEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000005450665 204133347 /nfs/dbraw/zinc/13/33/47/204133347.db2.gz KMHBRMILGHYRBX-CIAFOILYSA-N 0 0 380.860 5.029 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1C ZINC000005452225 204133728 /nfs/dbraw/zinc/13/37/28/204133728.db2.gz BEWGLMAZVOCWGG-FQEVSTJZSA-N 0 0 380.513 5.219 50 30 GKEARN Cc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c([N+](=O)[O-])c1 ZINC000005542956 204138860 /nfs/dbraw/zinc/13/88/60/204138860.db2.gz OURSMYQCFSMBND-RGVLZGJSSA-N 0 0 378.413 5.219 50 30 GKEARN c1ccc(-c2c3ccc4ccccc4c3n(C[C@H]3CO3)c2-c2ccccc2)cc1 ZINC000005660621 204144673 /nfs/dbraw/zinc/14/46/73/204144673.db2.gz QBGSYRNMDJJQCY-QFIPXVFZSA-N 0 0 375.471 6.527 50 30 GKEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)Nc1ccccc1S2 ZINC000005692842 204147343 /nfs/dbraw/zinc/14/73/43/204147343.db2.gz LIRFSYSQBOVACH-VMPITWQZSA-N 0 0 387.460 5.562 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccccc2)c1Cc1ccccc1 ZINC000006645880 204187471 /nfs/dbraw/zinc/18/74/71/204187471.db2.gz ZOSYYFRYTURFNM-UHFFFAOYSA-N 0 0 388.474 6.002 50 30 GKEARN COc1ccc([C@H]2N(c3ccc(Cl)cc3)OC(=O)N2c2ccccc2)cc1 ZINC000006720878 204194297 /nfs/dbraw/zinc/19/42/97/204194297.db2.gz DYSMMVCFGQTHDE-HXUWFJFHSA-N 0 0 380.831 5.426 50 30 GKEARN O=C1NC(=Nc2cccc(Br)c2)SC1=Cc1cccc(F)c1 ZINC000006926041 204224984 /nfs/dbraw/zinc/22/49/84/204224984.db2.gz FSLGYMQLYRIPRQ-ZSOIEALJSA-N 0 0 377.238 5.320 50 30 GKEARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000007814552 204252820 /nfs/dbraw/zinc/25/28/20/204252820.db2.gz VSYFAWYWSHRXAD-INIZCTEOSA-N 0 0 391.854 5.560 50 30 GKEARN O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000008715461 204286228 /nfs/dbraw/zinc/28/62/28/204286228.db2.gz XBXQQIWNHKVBRI-FQEVSTJZSA-N 0 0 395.886 5.251 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000009015465 204297602 /nfs/dbraw/zinc/29/76/02/204297602.db2.gz ZSELYWTVVTWEEM-HXUWFJFHSA-N 0 0 389.838 5.123 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000008385980 204274380 /nfs/dbraw/zinc/27/43/80/204274380.db2.gz XFMRWMPWXSMHFV-UHFFFAOYSA-N 0 0 398.547 6.859 50 30 GKEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccs1 ZINC000009578852 204317029 /nfs/dbraw/zinc/31/70/29/204317029.db2.gz BZHDWIGTAULBAA-WMLDXEAASA-N 0 0 399.585 5.114 50 30 GKEARN C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1cccc(Cl)c1 ZINC000027015983 209177683 /nfs/dbraw/zinc/17/76/83/209177683.db2.gz ZAUPLBZYRDLLKZ-LNVKXUELSA-N 0 0 397.931 5.637 50 30 GKEARN C=CCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002352179 209170836 /nfs/dbraw/zinc/17/08/36/209170836.db2.gz PEJZVCCTLQECCB-UHFFFAOYSA-N 0 0 394.584 5.747 50 30 GKEARN C=CCN1C(=O)/C(=C/c2cc(C)ccc2OCc2ccc(F)cc2)SC1=S ZINC000016212844 209167035 /nfs/dbraw/zinc/16/70/35/209167035.db2.gz WIXJKWSCGXGTCZ-UNOMPAQXSA-N 0 0 399.512 5.100 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000000985754 209168723 /nfs/dbraw/zinc/16/87/23/209168723.db2.gz YRHBCUTXYANKCV-UHFFFAOYSA-N 0 0 382.554 5.053 50 30 GKEARN CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000013829445 204514809 /nfs/dbraw/zinc/51/48/09/204514809.db2.gz MOFIIHQCTIJVBB-JEHIOXJOSA-N 0 0 384.560 5.620 50 30 in-vitro GKEARN C=C(C)CSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002240110 209168416 /nfs/dbraw/zinc/16/84/16/209168416.db2.gz RKZLIMBJVGPKBA-UHFFFAOYSA-N 0 0 380.557 5.356 50 30 biogenic GKEARN C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000001151527 209168001 /nfs/dbraw/zinc/16/80/01/209168001.db2.gz WZMBZFIXLIWRBH-JCMHNJIXSA-N 0 0 399.471 5.088 50 30 GKEARN C=C[C@@H](c1ccccc1)N(Sc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000704352 209165908 /nfs/dbraw/zinc/16/59/08/209165908.db2.gz UHFCQLTVBNPPMG-NRFANRHFSA-N 0 0 386.476 5.134 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl ZINC000018181446 204617387 /nfs/dbraw/zinc/61/73/87/204617387.db2.gz XQQHNHILUJTGTP-FQEVSTJZSA-N 0 0 387.310 6.215 50 30 GKEARN CCCCC#C[C@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccccc1 ZINC000003049339 204837101 /nfs/dbraw/zinc/83/71/01/204837101.db2.gz CUQCGQUDGRTVKQ-FQEVSTJZSA-N 0 0 376.525 5.465 50 30 GKEARN C=CCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1ccccc1 ZINC000004938348 209140320 /nfs/dbraw/zinc/14/03/20/209140320.db2.gz YVZAUOWCAMBNJS-UHFFFAOYSA-N 0 0 378.884 5.936 50 30 GKEARN C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000004822458 209140000 /nfs/dbraw/zinc/14/00/00/209140000.db2.gz QHBZJGSYPXLORC-CQSZACIVSA-N 0 0 388.602 5.463 50 30 GKEARN C=CCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000005101752 209139537 /nfs/dbraw/zinc/13/95/37/209139537.db2.gz AUYAXWJFEBJXAN-GTSPYVDBSA-N 0 0 390.354 5.958 50 30 GKEARN CCc1cc(Oc2cccc(C)c2C)nc(SCc2ccccc2C#N)n1 ZINC000037510937 205027708 /nfs/dbraw/zinc/02/77/08/205027708.db2.gz SMDKKJBZRGHEHL-UHFFFAOYSA-N 0 0 375.497 5.612 50 30 GKEARN C=CCN(Cc1cccn1Cc1ccccc1Cl)C(=O)c1ccc(CC)cc1 ZINC000004505874 209138132 /nfs/dbraw/zinc/13/81/32/209138132.db2.gz LTLHMFALXUFLRD-UHFFFAOYSA-N 0 0 392.930 5.581 50 30 GKEARN Cc1ccc2nc(N=NCc3ccc4cccnc4c3)nc(-c3ccccc3)c2c1 ZINC000004058983 205732510 /nfs/dbraw/zinc/73/25/10/205732510.db2.gz ZHXHAHWOWPDGEK-JVWAILMASA-N 0 0 389.462 5.599 50 30 GKEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974806 206033767 /nfs/dbraw/zinc/03/37/67/206033767.db2.gz VVUDMWIXXLBNNL-UHFFFAOYSA-N 0 0 394.400 5.704 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@@H](c1c(C)cc(C)cc1C)Nc1ccccc1-2 ZINC000004755058 206227470 /nfs/dbraw/zinc/22/74/70/206227470.db2.gz FRKZEQZVBVUWJN-FQEVSTJZSA-N 0 0 390.512 5.245 50 30 GKEARN C=CCn1c(-c2ccc(C(C)C)cc2)cs/c1=N\c1ccc2c(c1)OCCO2 ZINC000004528727 206227477 /nfs/dbraw/zinc/22/74/77/206227477.db2.gz PGYVJKXPWWGZNI-VHXPQNKSSA-N 0 0 392.524 5.530 50 30 GKEARN C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004184237 206227596 /nfs/dbraw/zinc/22/75/96/206227596.db2.gz XIOHHPKZKILMLK-UKILVPOCSA-N 0 0 382.463 5.494 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000004882953 206228469 /nfs/dbraw/zinc/22/84/69/206228469.db2.gz MXQDIZUTDSSWFI-RGEXLXHISA-N 0 0 398.915 5.402 50 30 GKEARN C=C1[C@@H](C(=O)Nc2ccc3ccccc3c2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000005446846 206228811 /nfs/dbraw/zinc/22/88/11/206228811.db2.gz FWDGYDQSLQDGLW-DNQXCXABSA-N 0 0 392.458 5.372 50 30 GKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C(\C)c1ccc(C)cc1 ZINC000004476799 206214984 /nfs/dbraw/zinc/21/49/84/206214984.db2.gz GBNBHFMOEJBBTF-RCQQXULQSA-N 0 0 381.932 5.689 50 30 GKEARN C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccccc2SC)on1 ZINC000012302577 206245245 /nfs/dbraw/zinc/24/52/45/206245245.db2.gz NFMGBYTUDDAIIG-UHFFFAOYSA-N 0 0 398.528 5.103 50 30 GKEARN C=CCN1C(=O)C2=C(CCCC2)[C@@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009668425 206245428 /nfs/dbraw/zinc/24/54/28/206245428.db2.gz CJLXFHYFHJJWOY-RUZDIDTESA-N 0 0 398.506 5.783 50 30 GKEARN C=CCN(C(=O)c1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 ZINC000012740493 206245980 /nfs/dbraw/zinc/24/59/80/206245980.db2.gz MWPGAVUUYMMFJA-UHFFFAOYSA-N 0 0 393.493 5.359 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000004882897 206229409 /nfs/dbraw/zinc/22/94/09/206229409.db2.gz QBLUFYBCKISOLF-UNOMPAQXSA-N 0 0 398.915 5.320 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000004897818 206229525 /nfs/dbraw/zinc/22/95/25/206229525.db2.gz OWXHCAALULOPQF-UKILVPOCSA-N 0 0 382.463 5.494 50 30 GKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1occc1C ZINC000006949380 206230729 /nfs/dbraw/zinc/23/07/29/206230729.db2.gz JSNVMTGTWNGFLP-UHFFFAOYSA-N 0 0 394.525 5.448 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 ZINC000002066421 206248091 /nfs/dbraw/zinc/24/80/91/206248091.db2.gz UOHSKAPTWAMYST-UHFFFAOYSA-N 0 0 382.554 5.303 50 30 GKEARN C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccc(OC)cc1 ZINC000002107645 206250001 /nfs/dbraw/zinc/25/00/01/206250001.db2.gz YRGGHHJUEBPGNT-HSZRJFAPSA-N 0 0 388.894 6.692 50 30 biogenic GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 ZINC000002453796 206250454 /nfs/dbraw/zinc/25/04/54/206250454.db2.gz XCGOTRMFHPZAAE-UHFFFAOYSA-N 0 0 390.339 6.039 50 30 GKEARN CCn1cc(-c2nnc(SCc3ccccc3C#N)n2CC)c2ccccc21 ZINC000004758549 211549918 /nfs/dbraw/zinc/54/99/18/211549918.db2.gz IVTLMCWTLDOXNI-UHFFFAOYSA-N 0 0 387.512 5.104 50 30 GKEARN CCCCCCCC(=O)N[C@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000003106849 211520267 /nfs/dbraw/zinc/52/02/67/211520267.db2.gz RHLATCIAXTYWHF-MRXNPFEDSA-N 0 0 396.742 5.247 50 30 GKEARN O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\c1cccnc1 ZINC000008642976 206294659 /nfs/dbraw/zinc/29/46/59/206294659.db2.gz IKKHPYQPPHUNAQ-ZBKNUEDVSA-N 0 0 381.790 5.069 50 30 GKEARN Cc1c2c(ccc1OC(=O)C(C)(C)C)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000008991129 206295223 /nfs/dbraw/zinc/29/52/23/206295223.db2.gz DUCUTRHDGIGAFD-UDWIEESQSA-N 0 0 389.451 5.054 50 30 GKEARN Cn1c2ccccc2s/c1=N\N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002275112 211514211 /nfs/dbraw/zinc/51/42/11/211514211.db2.gz SCTIVTUCVJMYLR-HZCJYTJWSA-N 0 0 395.572 5.475 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c12 ZINC000000647106 206312255 /nfs/dbraw/zinc/31/22/55/206312255.db2.gz TZEJTZZOOWKSJI-DEOSSOPVSA-N 0 0 398.462 6.058 50 30 GKEARN CCOC(=O)c1oc2ccc(/C=N/C3C4CC5CC(C4)CC3C5)c(Cl)c2c1C ZINC000000653254 206312805 /nfs/dbraw/zinc/31/28/05/206312805.db2.gz ALORYDXJCCIXSN-OPEKNORGSA-N 0 0 399.918 5.815 50 30 GKEARN Cc1cccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2cccc(C)c2)c1 ZINC000000677393 206315058 /nfs/dbraw/zinc/31/50/58/206315058.db2.gz TWMIHMOOUJNCSO-MFKUBSTISA-N 0 0 382.467 5.114 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2F)C3)cc1 ZINC000000672631 206315198 /nfs/dbraw/zinc/31/51/98/206315198.db2.gz NELUQOAPNAPINQ-WXTAPIANSA-N 0 0 398.481 6.114 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000687143 206316315 /nfs/dbraw/zinc/31/63/15/206316315.db2.gz JLZCVOCDMKGQBT-QFIPXVFZSA-N 0 0 398.462 5.949 50 30 GKEARN COc1cc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000684735 206316575 /nfs/dbraw/zinc/31/65/75/206316575.db2.gz QMBWASKVCKQXQK-DEOSSOPVSA-N 0 0 399.490 5.864 50 30 GKEARN Cc1ccc(/C=N/c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)s1 ZINC000000681066 206316664 /nfs/dbraw/zinc/31/66/64/206316664.db2.gz VEMKEKSTSZFIOW-SSDVNMTOSA-N 0 0 389.307 6.366 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000687144 206317048 /nfs/dbraw/zinc/31/70/48/206317048.db2.gz JLZCVOCDMKGQBT-JOCHJYFZSA-N 0 0 398.462 5.949 50 30 GKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000000711184 206318693 /nfs/dbraw/zinc/31/86/93/206318693.db2.gz RQSWJOHFOJUOLW-RUZDIDTESA-N 0 0 385.463 5.530 50 30 GKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000000711183 206318901 /nfs/dbraw/zinc/31/89/01/206318901.db2.gz RQSWJOHFOJUOLW-VWLOTQADSA-N 0 0 385.463 5.530 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718172 206318997 /nfs/dbraw/zinc/31/89/97/206318997.db2.gz DECVIFBAUGYMJO-LHSJRXKWSA-N 0 0 378.522 5.789 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccc3ccccc3c12 ZINC000000759559 206320720 /nfs/dbraw/zinc/32/07/20/206320720.db2.gz QWNICSBLSSKMIE-HSZRJFAPSA-N 0 0 393.408 6.532 50 30 GKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000000805502 206323272 /nfs/dbraw/zinc/32/32/72/206323272.db2.gz VWVKDISGDOSMLM-QFIPXVFZSA-N 0 0 397.490 5.060 50 30 GKEARN Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000000872918 206330598 /nfs/dbraw/zinc/33/05/98/206330598.db2.gz KYQAAPHJRDNBCJ-ZVHZXABRSA-N 0 0 391.858 5.148 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])s4)cc3)sc2c1 ZINC000000912831 206333520 /nfs/dbraw/zinc/33/35/20/206333520.db2.gz ICZBSGVYJMJLLH-RGVLZGJSSA-N 0 0 379.466 5.992 50 30 GKEARN C[C@@H](Nc1oc(COc2ccc(Br)cc2)nc1C#N)c1ccccc1 ZINC000000934554 206334155 /nfs/dbraw/zinc/33/41/55/206334155.db2.gz SZUPKERYJMTITF-CYBMUJFWSA-N 0 0 398.260 5.061 50 30 GKEARN C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2ccc(OC)cc2)C1(C)C ZINC000001024858 206342588 /nfs/dbraw/zinc/34/25/88/206342588.db2.gz KASLNVAAEPNFDZ-QOCHGBHMSA-N 0 0 386.904 5.518 50 30 GKEARN Cc1nc(-c2cc(C#N)c(Sc3ccc(Cl)cc3Cl)nc2C)cs1 ZINC000001046985 206346063 /nfs/dbraw/zinc/34/60/63/206346063.db2.gz AGMRTOCZWJMTSS-UHFFFAOYSA-N 0 0 392.336 6.152 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000001068020 206348422 /nfs/dbraw/zinc/34/84/22/206348422.db2.gz YJMNXFXVEFSOHT-IQMFZBJNSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1 ZINC000001077623 206349445 /nfs/dbraw/zinc/34/94/45/206349445.db2.gz KKUYRVOWKGLJEO-ZBLYBZFDSA-N 0 0 394.518 6.283 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000001079513 206350345 /nfs/dbraw/zinc/35/03/45/206350345.db2.gz OHZNTVBPOCWQDK-MRXNPFEDSA-N 0 0 397.877 5.643 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccccc1C(F)(F)F ZINC000001080104 206350846 /nfs/dbraw/zinc/35/08/46/206350846.db2.gz PCHTXMBZAUDTFN-ZDUSSCGKSA-N 0 0 391.414 5.295 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000001082094 206350892 /nfs/dbraw/zinc/35/08/92/206350892.db2.gz GQPSVFYAIRVIDP-HXUWFJFHSA-N 0 0 397.862 5.470 50 30 GKEARN COc1ccc(NC2=C(Sc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001294747 206371650 /nfs/dbraw/zinc/37/16/50/206371650.db2.gz ZFKMYLNQRFUJJR-UHFFFAOYSA-N 0 0 387.460 5.190 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)c1c(ccc3ccccc31)N2 ZINC000001421742 206380965 /nfs/dbraw/zinc/38/09/65/206380965.db2.gz SLRCJGGZKDHCRA-KOSHJBKYSA-N 0 0 392.458 5.786 50 30 GKEARN COc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000001461722 206382639 /nfs/dbraw/zinc/38/26/39/206382639.db2.gz UEVZWABIUGWGHL-UHFFFAOYSA-N 0 0 393.527 5.011 50 30 GKEARN O=C1C(Br)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001617990 206386498 /nfs/dbraw/zinc/38/64/98/206386498.db2.gz DBJSHCMPSZHIQH-UHFFFAOYSA-N 0 0 387.276 5.986 50 30 GKEARN COc1ccc(C2CC(=O)C(=CNc3cc(Cl)ccc3Cl)C(=O)C2)cc1 ZINC000001211804 206368393 /nfs/dbraw/zinc/36/83/93/206368393.db2.gz ZNMVDGYBJYIUDM-UHFFFAOYSA-N 0 0 390.266 5.014 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1cccs1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001216256 206368442 /nfs/dbraw/zinc/36/84/42/206368442.db2.gz UFPYOCJELMMWDZ-OSPHWJPCSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1ccc(N2CCN(/N=C/c3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000001773734 206391415 /nfs/dbraw/zinc/39/14/15/206391415.db2.gz VRSTZIDDSZZVAL-ZXVVBBHZSA-N 0 0 379.507 5.458 50 30 GKEARN Cc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000001884834 206393320 /nfs/dbraw/zinc/39/33/20/206393320.db2.gz FMNBUMCAHWCXNE-UNURKUBWSA-N 0 0 383.407 6.127 50 30 GKEARN CC(C)(C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000001948868 206394870 /nfs/dbraw/zinc/39/48/70/206394870.db2.gz CHUWFMAMRVSWRU-CVKSISIWSA-N 0 0 393.914 6.390 50 30 GKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000002030040 206395295 /nfs/dbraw/zinc/39/52/95/206395295.db2.gz IHUGPVCLVYKUTF-HHHXNRCGSA-N 0 0 396.534 6.359 50 30 GKEARN C(=N/N=C1c2ccccc2-c2ccccc21)\c1c2ccccc2cc2ccccc21 ZINC000001951355 206395922 /nfs/dbraw/zinc/39/59/22/206395922.db2.gz FWUMECHZWZPFCL-RDRPBHBLSA-N 0 0 382.466 6.845 50 30 GKEARN CCCCc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 ZINC000002080333 206398722 /nfs/dbraw/zinc/39/87/22/206398722.db2.gz CTNYYZNMVMTUME-UHFFFAOYSA-N 0 0 383.491 5.899 50 30 GKEARN O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000002245798 206404375 /nfs/dbraw/zinc/40/43/75/206404375.db2.gz YPPDZACZGZHJKR-LJQANCHMSA-N 0 0 385.250 6.070 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccc(Cl)cc1Cl ZINC000002343278 206410075 /nfs/dbraw/zinc/41/00/75/206410075.db2.gz SFJFICNYUUMUBC-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000003016680 206453269 /nfs/dbraw/zinc/45/32/69/206453269.db2.gz AOCJIHRZDNULOA-XLNRJJMWSA-N 0 0 395.474 5.910 50 30 GKEARN CCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2C)nc1-c1ccccc1 ZINC000003104592 206458031 /nfs/dbraw/zinc/45/80/31/206458031.db2.gz HSSWJSZNZHOIDD-UHFFFAOYSA-N 0 0 392.842 5.551 50 30 GKEARN COc1ccc(NC(=S)N=C(Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000004063612 206501931 /nfs/dbraw/zinc/50/19/31/206501931.db2.gz FYPUTZKSYZAYPL-UHFFFAOYSA-N 0 0 375.497 5.259 50 30 GKEARN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1cccc(Br)c1 ZINC000004277061 206511328 /nfs/dbraw/zinc/51/13/28/206511328.db2.gz OOYGRLHZCLKWNG-OUKQBFOZSA-N 0 0 387.276 6.652 50 30 GKEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)OC(C)C ZINC000000995703 211501903 /nfs/dbraw/zinc/50/19/03/211501903.db2.gz OCJRZOKIBICKED-UHFFFAOYSA-N 0 0 397.283 5.053 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(F)c1 ZINC000004651567 206537670 /nfs/dbraw/zinc/53/76/70/206537670.db2.gz UJLUQXYREFDZQR-YGUNLJQTSA-N 0 0 390.502 5.863 50 30 GKEARN Cc1ccc2nc(Cl)c3cc(C(=O)Nc4cccc(C#N)c4)sc3c2c1 ZINC000004961620 206577841 /nfs/dbraw/zinc/57/78/41/206577841.db2.gz SELKNIJSZIUXLL-UHFFFAOYSA-N 0 0 377.856 5.535 50 30 GKEARN CC[S@@](=O)CCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000004978381 206580081 /nfs/dbraw/zinc/58/00/81/206580081.db2.gz RXFSFFRGPXDAEV-SANMLTNESA-N 0 0 398.578 5.209 50 30 GKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 ZINC000005053327 206587541 /nfs/dbraw/zinc/58/75/41/206587541.db2.gz OFMJYWYGNYOZAN-UHFFFAOYSA-N 0 0 386.474 6.283 50 30 GKEARN Cc1cc(C(C)N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1O ZINC000004947330 206575630 /nfs/dbraw/zinc/57/56/30/206575630.db2.gz ZSXBJERCBNMRBH-MTDXEUNCSA-N 0 0 394.478 5.661 50 30 GKEARN Clc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1Cl ZINC000005605074 206621140 /nfs/dbraw/zinc/62/11/40/206621140.db2.gz YDBBOFRBATYFAV-UFFVCSGVSA-N 0 0 388.279 6.309 50 30 GKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccccc2Cl)C12CCCC2 ZINC000005695279 206625622 /nfs/dbraw/zinc/62/56/22/206625622.db2.gz KHDDYSSWHAOMTH-UHFFFAOYSA-N 0 0 397.975 5.948 50 30 GKEARN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1 ZINC000005735013 206626900 /nfs/dbraw/zinc/62/69/00/206626900.db2.gz KLGWFMOKJUOZKV-JXAWBTAJSA-N 0 0 386.432 5.628 50 30 GKEARN N#Cc1ccc(COC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000005938686 206635390 /nfs/dbraw/zinc/63/53/90/206635390.db2.gz LFBSULNROOVKIS-MSOLQXFVSA-N 0 0 376.481 5.185 50 30 GKEARN Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000005986842 206636721 /nfs/dbraw/zinc/63/67/21/206636721.db2.gz QNDDVSVQWHNRKE-UHFFFAOYSA-N 0 0 398.453 6.548 50 30 GKEARN N#Cc1c(Cl)nsc1NCCc1csc(-c2ccccc2Cl)n1 ZINC000095442239 211240387 /nfs/dbraw/zinc/24/03/87/211240387.db2.gz OHXKNWNAOHHJEX-UHFFFAOYSA-N 0 0 381.313 5.100 50 30 GKEARN Cc1cc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n[nH]1 ZINC000084111480 211166754 /nfs/dbraw/zinc/16/67/54/211166754.db2.gz FKXFURBCGHJXSQ-UHFFFAOYSA-N 0 0 394.434 5.301 50 30 GKEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071735484 211051701 /nfs/dbraw/zinc/05/17/01/211051701.db2.gz MWOHJXIRJCVSQH-KRWDZBQOSA-N 0 0 386.417 5.062 50 30 GKEARN N#Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000067245143 211005651 /nfs/dbraw/zinc/00/56/51/211005651.db2.gz PKYRDMXEBGXPOT-UHFFFAOYSA-N 0 0 387.439 5.469 50 30 GKEARN CC1(C)CC(=O)C(C(=S)Nc2ccc(F)cc2)=C(NCCc2ccccc2)C1 ZINC000013880266 207004497 /nfs/dbraw/zinc/00/44/97/207004497.db2.gz XLNUBDYTLRJJLK-UHFFFAOYSA-N 0 0 396.531 5.041 50 30 GKEARN CN1[C@@H]2CC[C@H]1/C(=C/c1ccccc1Cl)C(=O)/C2=C/c1ccccc1Cl ZINC000015974602 207068524 /nfs/dbraw/zinc/06/85/24/207068524.db2.gz BPSIHESMRAEMQU-LJNKJSDOSA-N 0 0 384.306 5.506 50 30 GKEARN Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000015826367 207062079 /nfs/dbraw/zinc/06/20/79/207062079.db2.gz HKWQLVCJUOLILE-RUZDIDTESA-N 0 0 384.479 5.769 50 30 GKEARN COc1ccc(C(=O)C=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016216141 207074732 /nfs/dbraw/zinc/07/47/32/207074732.db2.gz TWLQYCWKGFVEDO-VOTSOKGWSA-N 0 0 389.295 5.541 50 30 GKEARN O=C(NCc1ccccc1)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCC2 ZINC000018154589 207093616 /nfs/dbraw/zinc/09/36/16/207093616.db2.gz VOKMILHCLAZPNO-MFKUBSTISA-N 0 0 390.508 5.013 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000018285316 207098026 /nfs/dbraw/zinc/09/80/26/207098026.db2.gz GXKJKWBMCPABQI-QHCPKHFHSA-N 0 0 392.474 5.379 50 30 GKEARN COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1 ZINC000022409785 207253372 /nfs/dbraw/zinc/25/33/72/207253372.db2.gz QEBXBGCVAKEUAB-UHFFFAOYSA-N 0 0 399.475 5.576 50 30 GKEARN CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1cccc(C(F)(F)F)c1 ZINC000023118820 207269955 /nfs/dbraw/zinc/26/99/55/207269955.db2.gz WAJQMLDDNNVXBH-UHFFFAOYSA-N 0 0 385.345 5.046 50 30 GKEARN Brc1ccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)cc1 ZINC000101057136 208386075 /nfs/dbraw/zinc/38/60/75/208386075.db2.gz NMPHJDCQOROWTL-LPYMAVHISA-N 0 0 377.241 6.008 50 30 GKEARN C[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020829002 210362804 /nfs/dbraw/zinc/36/28/04/210362804.db2.gz KNJRUHCYNGBEKK-GOSISDBHSA-N 0 0 397.522 5.515 50 30 GKEARN Cc1cs/c(=N/N=C/c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 ZINC000001807316 208499884 /nfs/dbraw/zinc/49/98/84/208499884.db2.gz DFQFPHQRTJLNKM-DSOIMHBNSA-N 0 0 399.519 5.361 50 30 GKEARN O=C1/C(=C/c2ccccc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 ZINC000002106545 208501109 /nfs/dbraw/zinc/50/11/09/208501109.db2.gz NKLXMIJMKFCEFM-KQZYTOEYSA-N 0 0 388.507 5.460 50 30 biogenic GKEARN CSc1nc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(-c2ccccc2)n1 ZINC000019820759 210300360 /nfs/dbraw/zinc/30/03/60/210300360.db2.gz LGKARZVBMHXEIA-UHFFFAOYSA-N 0 0 387.295 5.788 50 30 GKEARN CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820428 210299475 /nfs/dbraw/zinc/29/94/75/210299475.db2.gz SIQKRTXMYGQOET-KXBFYZLASA-N 0 0 394.588 6.025 50 30 GKEARN Cc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000005530350 208670731 /nfs/dbraw/zinc/67/07/31/208670731.db2.gz IMCPBTMVWRMBHR-DEDYPNTBSA-N 0 0 391.471 5.125 50 30 GKEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)nc2c1 ZINC000000898912 220463775 /nfs/dbraw/zinc/46/37/75/220463775.db2.gz KFNOEZROMZOEQW-UHFFFAOYSA-N 0 0 381.888 5.108 50 30 GKEARN CSc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000001127617 220476782 /nfs/dbraw/zinc/47/67/82/220476782.db2.gz OBUKYWQXAAVFBF-UHFFFAOYSA-N 0 0 376.506 5.684 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccccc1 ZINC000002277681 220517145 /nfs/dbraw/zinc/51/71/45/220517145.db2.gz QZGIEXCZELGBCS-UHFFFAOYSA-N 0 0 378.500 6.580 50 30 GKEARN C=CCNc1sc(C(=O)c2ccccc2)c(N)c1-c1nc2ccccc2s1 ZINC000003237179 220613965 /nfs/dbraw/zinc/61/39/65/220613965.db2.gz PSBAVGZWZWTDPK-UHFFFAOYSA-N 0 0 391.521 5.436 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccccc1)OCO4 ZINC000004090195 220679666 /nfs/dbraw/zinc/67/96/66/220679666.db2.gz NEHMNOGSUBWBSJ-LJQANCHMSA-N 0 0 399.490 5.055 50 30 biogenic GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000004281044 220700023 /nfs/dbraw/zinc/70/00/23/220700023.db2.gz PLLUJKZTUUWJBV-UQBPGWFLSA-N 0 0 381.479 5.370 50 30 GKEARN COc1nc2c(c(-c3ccc(F)cc3)c1C#N)CCC/C2=C\c1ccc(F)cc1 ZINC000004362385 220711415 /nfs/dbraw/zinc/71/14/15/220711415.db2.gz IQMQHYMQRZCURS-GHRIWEEISA-N 0 0 388.417 5.784 50 30 GKEARN COc1ccc([C@H](CC/N=C/c2ccccc2O)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000100340399 533177857 /nfs/dbraw/zinc/17/78/57/533177857.db2.gz MFJRMYNIXYXNOJ-GPEALGBWSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)cc1 ZINC000004740357 220759355 /nfs/dbraw/zinc/75/93/55/220759355.db2.gz XGBYBQAXVDOLRX-QOVDMSNSSA-N 0 0 382.891 5.492 50 30 GKEARN Brc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000004889273 220784760 /nfs/dbraw/zinc/78/47/60/220784760.db2.gz OCUAXTTWFPYSRN-LPYMAVHISA-N 0 0 382.305 6.055 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004915986 220790897 /nfs/dbraw/zinc/79/08/97/220790897.db2.gz CJLXPQWQMWMYTE-MFKMUULPSA-N 0 0 392.307 5.059 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000005061736 220822374 /nfs/dbraw/zinc/82/23/74/220822374.db2.gz YXFSTVHDFBILBL-SUEBBETASA-N 0 0 380.871 5.216 50 30 aggregator GKEARN CC(C)(C)c1cc(/C=N/NC(=S)Nc2ccccc2)cc(C(C)(C)C)c1O ZINC000005714758 220894824 /nfs/dbraw/zinc/89/48/24/220894824.db2.gz QGSOWXMFJCBIBB-OEAKJJBVSA-N 0 0 383.561 5.308 50 30 GKEARN CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](CC)C3)cc1 ZINC000008201100 221030446 /nfs/dbraw/zinc/03/04/46/221030446.db2.gz VWFSGWNXFPMVBL-ZBFHGGJFSA-N 0 0 382.529 5.103 50 30 GKEARN CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](CC)C3)cc1 ZINC000008201070 221030574 /nfs/dbraw/zinc/03/05/74/221030574.db2.gz VWFSGWNXFPMVBL-GOEBONIOSA-N 0 0 382.529 5.103 50 30 GKEARN C=CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 ZINC000008277575 221034123 /nfs/dbraw/zinc/03/41/23/221034123.db2.gz MXEANKLLKZSKMY-LDADJPATSA-N 0 0 384.888 5.105 50 30 GKEARN C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OCC)c(O)c1 ZINC000008969254 221065423 /nfs/dbraw/zinc/06/54/23/221065423.db2.gz RNNRDHHGJUKRJF-UHFFFAOYSA-N 0 0 380.444 5.237 50 30 GKEARN Cc1ccc(CNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 ZINC000008654593 221048411 /nfs/dbraw/zinc/04/84/11/221048411.db2.gz KEZIGLZOJPKCQX-UHFFFAOYSA-N 0 0 399.450 5.614 50 30 GKEARN CCOC(=S)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008654062 221048955 /nfs/dbraw/zinc/04/89/55/221048955.db2.gz JEQSQJLPQLKQIB-UHFFFAOYSA-N 0 0 376.506 5.701 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3N)sc2C1 ZINC000009273620 221075938 /nfs/dbraw/zinc/07/59/38/221075938.db2.gz IORXZRNLJHDKSS-ZDUSSCGKSA-N 0 0 399.585 5.084 50 30 GKEARN N#Cc1ccsc1NC(=O)CSc1nc2ccccc2n1C1CCCCC1 ZINC000009375925 221079555 /nfs/dbraw/zinc/07/95/55/221079555.db2.gz KXKTXVIYVHFWHX-UHFFFAOYSA-N 0 0 396.541 5.205 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000009614114 221087574 /nfs/dbraw/zinc/08/75/74/221087574.db2.gz AOVOFEWDHWXXAF-UHFFFAOYSA-N 0 0 397.503 5.163 50 30 GKEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3cn(C(C)C)c4ccccc34)S2)cc1 ZINC000016184389 221358801 /nfs/dbraw/zinc/35/88/01/221358801.db2.gz SKTZDIUXDYMVBK-UDWIEESQSA-N 0 0 391.496 5.122 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000018276068 221391218 /nfs/dbraw/zinc/39/12/18/221391218.db2.gz WDIKJYHNOQCKEE-QFIPXVFZSA-N 0 0 394.902 5.503 50 30 GKEARN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(C)cc(-c2ccccc2)n1 ZINC000004154987 533422542 /nfs/dbraw/zinc/42/25/42/533422542.db2.gz JPUVWXWIDILDFV-SSDVNMTOSA-N 0 0 387.270 5.213 50 30 GKEARN N#Cc1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 ZINC000084392872 136174894 /nfs/dbraw/zinc/17/48/94/136174894.db2.gz YUJABSWHYUGLOG-LJQANCHMSA-N 0 0 394.824 5.180 50 30 GKEARN O=C(/C(=C\c1ccc2ncccc2c1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000035179563 221813734 /nfs/dbraw/zinc/81/37/34/221813734.db2.gz JSBFUCOMCAGQQM-CAPFRKAQSA-N 0 0 375.431 5.535 50 30 GKEARN N#Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000058312181 222049116 /nfs/dbraw/zinc/04/91/16/222049116.db2.gz JMDDMLQOCOIUBN-BNCSFYMNSA-N 0 0 384.401 5.344 50 30 GKEARN N#Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000058312180 222049625 /nfs/dbraw/zinc/04/96/25/222049625.db2.gz JMDDMLQOCOIUBN-ZTVSIKPCSA-N 0 0 384.401 5.344 50 30 GKEARN C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)c2cc(C(F)(F)F)ccc2S1 ZINC000059005445 222056276 /nfs/dbraw/zinc/05/62/76/222056276.db2.gz WDPXBEWRVADARS-GFCCVEGCSA-N 0 0 376.403 5.108 50 30 GKEARN N#Cc1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)c(F)c1 ZINC000064669250 222077640 /nfs/dbraw/zinc/07/76/40/222077640.db2.gz MMPWGXLDQDZDLP-UHFFFAOYSA-N 0 0 388.427 5.415 50 30 GKEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000096346652 222414668 /nfs/dbraw/zinc/41/46/68/222414668.db2.gz ZTAYBSVDLKTBQJ-FCHUYYIVSA-N 0 0 383.495 5.276 50 30 GKEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000096346654 222415316 /nfs/dbraw/zinc/41/53/16/222415316.db2.gz ZTAYBSVDLKTBQJ-VXKWHMMOSA-N 0 0 383.495 5.276 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)oc2c1 ZINC000100929502 222465647 /nfs/dbraw/zinc/46/56/47/222465647.db2.gz BPTMJUCPDNMYJK-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1cc(C)cc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000101091566 534083120 /nfs/dbraw/zinc/08/31/20/534083120.db2.gz YVYOPYKCZJEGAW-UHFFFAOYSA-N 0 0 393.408 6.499 50 30 GKEARN COc1ccccc1NN=C(C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000004175350 534129981 /nfs/dbraw/zinc/12/99/81/534129981.db2.gz WJEMHEZCKIZHCW-LGUFXXKBSA-N 0 0 390.512 5.357 50 30 GKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076573 518329242 /nfs/dbraw/zinc/32/92/42/518329242.db2.gz BHAWVATYQSUDOQ-QGZVFWFLSA-N 0 0 377.440 5.040 50 30 GKEARN C#Cc1ccc(C#Cc2ccc(OCCCCCCCCCCCC)cc2)cc1 ZINC000098045087 518357932 /nfs/dbraw/zinc/35/79/32/518357932.db2.gz QPGSWCNYEMJMMD-UHFFFAOYSA-N 0 0 386.579 7.367 50 30 GKEARN C#Cc1cccc(N2C(=O)C[C@H](SCCCCCCCCCCCC)C2=O)c1 ZINC000100208111 518361491 /nfs/dbraw/zinc/36/14/91/518361491.db2.gz XXYLSXRCHUPKLW-QFIPXVFZSA-N 0 0 399.600 5.954 50 30 GKEARN C(=NN=c1[nH]c2ccccc2s1)c1cccn1Cc1cccc2ccccc21 ZINC000001268773 518375712 /nfs/dbraw/zinc/37/57/12/518375712.db2.gz GQQQNOFNEMKQQG-BUVRLJJBSA-N 0 0 382.492 5.167 50 30 GKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000035653440 518462060 /nfs/dbraw/zinc/46/20/60/518462060.db2.gz MKLYQQWVQDEQSE-WSDLNYQXSA-N 0 0 376.312 5.683 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000035653442 518466270 /nfs/dbraw/zinc/46/62/70/518466270.db2.gz PKRJTUKWKLYXNJ-LSHDLFTRSA-N 0 0 396.730 6.606 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2ccccc21 ZINC000035653448 518467714 /nfs/dbraw/zinc/46/77/14/518467714.db2.gz OFHPVMTVEICZBS-ZVHZXABRSA-N 0 0 377.900 6.453 50 30 GKEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000004300816 518470547 /nfs/dbraw/zinc/47/05/47/518470547.db2.gz VYSLKLLZAQQPSI-CVKSISIWSA-N 0 0 397.946 6.442 50 30 GKEARN CC(=NN1C(=S)N=NC1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000103729561 518473385 /nfs/dbraw/zinc/47/33/85/518473385.db2.gz NKTBGJSDUASTDP-LSFURLLWSA-N 0 0 397.718 5.466 50 30 GKEARN C=C(C(=O)Nc1ccccc1)[C@@H](CCC=C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002127177 518584485 /nfs/dbraw/zinc/58/44/85/518584485.db2.gz GPKPIKBGEZEGBO-JOCHJYFZSA-N 0 0 397.540 5.079 50 30 GKEARN C=C(C(=O)Nc1ccccc1)[C@H](CCC=C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002127175 518585710 /nfs/dbraw/zinc/58/57/10/518585710.db2.gz GPKPIKBGEZEGBO-QFIPXVFZSA-N 0 0 397.540 5.079 50 30 GKEARN CC(C)(C)C1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000017281858 518601004 /nfs/dbraw/zinc/60/10/04/518601004.db2.gz WPNOEKXQCHCHPF-MGYAYREDSA-N 0 0 399.361 7.486 50 30 GKEARN C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000097949626 518641109 /nfs/dbraw/zinc/64/11/09/518641109.db2.gz GWSNXHSUUGMBOX-UHFFFAOYSA-N 0 0 390.618 5.975 50 30 GKEARN C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501175 518647240 /nfs/dbraw/zinc/64/72/40/518647240.db2.gz JMNNBGGLFDJNBE-AVZJAQDASA-N 0 0 396.659 7.597 50 30 GKEARN C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCC ZINC000100050580 518681634 /nfs/dbraw/zinc/68/16/34/518681634.db2.gz KHAYCTOSKLIHEP-UHFFFAOYSA-N 0 0 380.657 8.538 50 30 GKEARN C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2ccccc2F)o1 ZINC000036202256 518697047 /nfs/dbraw/zinc/69/70/47/518697047.db2.gz JAAYJZTWLAPKAW-UHFFFAOYSA-N 0 0 385.523 5.951 50 30 GKEARN C=CCCCCCCCCc1nc(SCCCCCCCCCC)n[nH]1 ZINC000097951187 518700434 /nfs/dbraw/zinc/70/04/34/518700434.db2.gz FODKUKHOVAGYBO-UHFFFAOYSA-N 0 0 379.658 7.497 50 30 GKEARN CC(C)(C)c1cc(/N=C/c2cc3ccccc3[nH]c2=S)c(O)c(C(C)(C)C)c1 ZINC000100802860 518990223 /nfs/dbraw/zinc/99/02/23/518990223.db2.gz INDJULBHRRJPIU-AFUMVMLFSA-N 0 0 392.568 6.949 50 30 GKEARN C=CCOc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3F)cs2)cc1OC ZINC000034717280 519007636 /nfs/dbraw/zinc/00/76/36/519007636.db2.gz UUMSGTBXCJNBLC-UHFFFAOYSA-N 0 0 398.459 5.083 50 30 GKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3o2)cc1 ZINC000102417437 519009738 /nfs/dbraw/zinc/00/97/38/519009738.db2.gz SGRSPHCVHUERMV-CVKSISIWSA-N 0 0 388.898 7.196 50 30 GKEARN CC(C)(C)c1ccc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000017511198 519048126 /nfs/dbraw/zinc/04/81/26/519048126.db2.gz AJARYOILHGIRID-NRFANRHFSA-N 0 0 383.491 5.286 50 30 GKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1 ZINC000046076194 519048015 /nfs/dbraw/zinc/04/80/15/519048015.db2.gz LFMJHENSMDOHQD-LJQANCHMSA-N 0 0 391.492 5.463 50 30 GKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OC ZINC000046075891 519048920 /nfs/dbraw/zinc/04/89/20/519048920.db2.gz LPHYAIZHJSKPJU-QGZVFWFLSA-N 0 0 391.492 5.463 50 30 GKEARN C=CCOc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)c1 ZINC000017154755 519051008 /nfs/dbraw/zinc/05/10/08/519051008.db2.gz ZBMNXJZJOHNWNQ-PDGQHHTCSA-N 0 0 384.888 5.105 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccccc1C ZINC000035564657 519064297 /nfs/dbraw/zinc/06/42/97/519064297.db2.gz IFBGPMNMFJBLKO-GOSISDBHSA-N 0 0 376.500 5.091 50 30 GKEARN C=CCOc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000100540809 519066156 /nfs/dbraw/zinc/06/61/56/519066156.db2.gz ZRAJPRPYZKPJPM-LFIBNONCSA-N 0 0 387.266 5.364 50 30 GKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000013552956 519072615 /nfs/dbraw/zinc/07/26/15/519072615.db2.gz UUIOLIZUXWVCRM-SFHVURJKSA-N 0 0 377.419 5.008 50 30 GKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccc(F)cc3)csc21 ZINC000046077032 519074205 /nfs/dbraw/zinc/07/42/05/519074205.db2.gz QWBQTLGOXYMCFM-QGZVFWFLSA-N 0 0 379.456 5.593 50 30 GKEARN C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)c1cc(COc2ccccc2)on1 ZINC000012715957 519121485 /nfs/dbraw/zinc/12/14/85/519121485.db2.gz CBDVKACRVRXVGB-OALUTQOASA-N 0 0 380.488 5.159 50 30 GKEARN C=CCc1ccc(OCCCOc2ccccc2Br)c(OC)c1 ZINC000002991343 519137150 /nfs/dbraw/zinc/13/71/50/519137150.db2.gz ZSOWKKWAFGKHAL-UHFFFAOYSA-N 0 0 377.278 5.034 50 30 GKEARN C=CCc1ccc(OCCOCCOc2c(Cl)cccc2Cl)c(OC)c1 ZINC000002985598 519138092 /nfs/dbraw/zinc/13/80/92/519138092.db2.gz IYILXESHVIBSQB-UHFFFAOYSA-N 0 0 397.298 5.205 50 30 GKEARN C=CCc1cccc(C)c1OCCOCCOc1cccc2ccc(C)nc21 ZINC000002822832 519141494 /nfs/dbraw/zinc/14/14/94/519141494.db2.gz YTCPWFDXMWFKPS-UHFFFAOYSA-N 0 0 377.484 5.055 50 30 GKEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1cccc2ccccc21 ZINC000100053745 519150109 /nfs/dbraw/zinc/15/01/09/519150109.db2.gz LULHXYKRQQTOBU-GHVJWSGMSA-N 0 0 387.464 5.696 50 30 GKEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000100841064 519150232 /nfs/dbraw/zinc/15/02/32/519150232.db2.gz QYWJMCKQDJPJTB-CLCOLTQESA-N 0 0 390.430 5.662 50 30 GKEARN C=CCn1c(COc2cccc3ccccc32)nnc1SCc1ccccc1 ZINC000005063553 519189363 /nfs/dbraw/zinc/18/93/63/519189363.db2.gz JPKZAEDJGUGQDK-UHFFFAOYSA-N 0 0 387.508 5.489 50 30 GKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1cc(C)c(C)cc1C ZINC000003355756 519193885 /nfs/dbraw/zinc/19/38/85/519193885.db2.gz GXKWIBJSGGMYHP-UHFFFAOYSA-N 0 0 397.569 5.017 50 30 GKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC000001125333 519231823 /nfs/dbraw/zinc/23/18/23/519231823.db2.gz CKWXFSNRGSSJGH-UHFFFAOYSA-N 0 0 383.904 5.068 50 30 GKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000014067657 519238279 /nfs/dbraw/zinc/23/82/79/519238279.db2.gz WNHQIVNHFNMVSR-UHFFFAOYSA-N 0 0 386.318 5.186 50 30 GKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850338 519243831 /nfs/dbraw/zinc/24/38/31/519243831.db2.gz UBPWBFRJAKWHQK-OAHLLOKOSA-N 0 0 385.920 5.550 50 30 GKEARN C=CCn1c(SCc2ccccc2F)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017081769 519245549 /nfs/dbraw/zinc/24/55/49/519245549.db2.gz KEVIULKKBNTRIO-CQSZACIVSA-N 0 0 399.560 5.749 50 30 GKEARN C=CCn1c(S[C@@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000058109604 519254250 /nfs/dbraw/zinc/25/42/50/519254250.db2.gz OTQIHQWLVJOKKM-KBPBESRZSA-N 0 0 397.569 5.017 50 30 GKEARN C=CCn1c(S[C@H](C)c2cccnc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000058109608 519257842 /nfs/dbraw/zinc/25/78/42/519257842.db2.gz OTQIHQWLVJOKKM-ZIAGYGMSSA-N 0 0 397.569 5.017 50 30 GKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(Cl)c3)c12 ZINC000008026408 519266279 /nfs/dbraw/zinc/26/62/79/519266279.db2.gz QNXFFPNQGOAPQG-VAWYXSNFSA-N 0 0 375.859 5.333 50 30 GKEARN CC(=C\c1ccccc1)/C=C1/N=C(SCc2ccccc2Cl)SC1=O ZINC000005823379 519348910 /nfs/dbraw/zinc/34/89/10/519348910.db2.gz NVWXUGMSOZSZRF-JOEZZVDMSA-N 0 0 385.941 6.190 50 30 GKEARN CC(=C\c1ccccc1)/C=C1\N=C(SCc2ccc(Cl)cc2)SC1=O ZINC000004953097 519349439 /nfs/dbraw/zinc/34/94/39/519349439.db2.gz KMQKYHQLCMCTOV-UJUKKVGJSA-N 0 0 385.941 6.190 50 30 GKEARN CC(=O)C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C(C)O ZINC000100090642 519353162 /nfs/dbraw/zinc/35/31/62/519353162.db2.gz NWBKGYDCPMJLKQ-SFQUDFHCSA-N 0 0 385.876 5.058 50 30 GKEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1cccc2cccnc21 ZINC000013140390 519354085 /nfs/dbraw/zinc/35/40/85/519354085.db2.gz XPUVYFAZUFZFKC-PTGBLXJZSA-N 0 0 390.295 5.648 50 30 GKEARN CC(C)=CCCC1=CC[C@@H](CN=Nc2nnc3c4ccccc4[nH]c3n2)[C@H](C)C1 ZINC000015018453 519402365 /nfs/dbraw/zinc/40/23/65/519402365.db2.gz ZCJLTEJKVFLIJW-PLBYPWKQSA-N 0 0 388.519 5.623 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)cc2)cs1)c1cccc(C)c1C ZINC000096924448 519474024 /nfs/dbraw/zinc/47/40/24/519474024.db2.gz UDXLGJICACNJFU-SEYXRHQNSA-N 0 0 390.508 5.649 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)o2)cs1)c1cccc(C)c1C ZINC000032853628 519474171 /nfs/dbraw/zinc/47/41/71/519474171.db2.gz ZHXRYVLBDJDWGY-MDZDMXLPSA-N 0 0 380.469 5.242 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cccs2)cs1)c1cccc(C)c1C ZINC000096924466 519476275 /nfs/dbraw/zinc/47/62/75/519476275.db2.gz LFFWFXOQOLKBBU-KTKRTIGZSA-N 0 0 382.510 5.402 50 30 GKEARN Fc1c(F)c(F)c(N=NCc2cccc(OCc3ccccc3)c2)c(F)c1F ZINC000006927463 534438782 /nfs/dbraw/zinc/43/87/82/534438782.db2.gz XVWAILMYYOSIDQ-NSKAYECMSA-N 0 0 392.327 5.407 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253527875 519645811 /nfs/dbraw/zinc/64/58/11/519645811.db2.gz NYOXRYYXRWJDKP-ARRGJNBZSA-N 0 0 384.648 7.597 50 30 GKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034035621 519645956 /nfs/dbraw/zinc/64/59/56/519645956.db2.gz QNTASHOAVRSLMD-FCARAQADSA-N 0 0 399.663 7.858 50 30 investigational GKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2)CC(C)C ZINC000020650174 519718258 /nfs/dbraw/zinc/71/82/58/519718258.db2.gz MEIBAONGYLVCOT-JMIUGGIZSA-N 0 0 385.529 5.184 50 30 GKEARN CC(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 ZINC000098086881 519833929 /nfs/dbraw/zinc/83/39/29/519833929.db2.gz LLYSBXFWDOQXAL-DHRITJCHSA-N 0 0 390.870 6.728 50 30 GKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3F)cc2)cc1 ZINC000033620204 519834248 /nfs/dbraw/zinc/83/42/48/519834248.db2.gz MMQPLJSQCHKWEQ-CXUHLZMHSA-N 0 0 388.438 6.064 50 30 GKEARN CC(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000033581365 519834267 /nfs/dbraw/zinc/83/42/67/519834267.db2.gz JDDNHHNVKHGWTR-DPUDNOKTSA-N 0 0 399.446 6.118 50 30 GKEARN CC(C)c1ccc(/C=C\C(=O)c2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000033530055 519834328 /nfs/dbraw/zinc/83/43/28/519834328.db2.gz ZWOITPSLJHNNDZ-BJPQZVBLSA-N 0 0 396.486 6.325 50 30 GKEARN CC(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000252429411 519835406 /nfs/dbraw/zinc/83/54/06/519835406.db2.gz LSTAFZNYHVLUKT-UHFFFAOYSA-N 0 0 391.327 5.546 50 30 GKEARN CC(C)c1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000017511210 519840340 /nfs/dbraw/zinc/84/03/40/519840340.db2.gz ORHARHNITJVLGB-JOCHJYFZSA-N 0 0 397.518 6.588 50 30 GKEARN CC(C)c1cccc(C(C)C)c1N=CC=Nc1c(C(C)C)cccc1C(C)C ZINC000252616095 519840979 /nfs/dbraw/zinc/84/09/79/519840979.db2.gz JWVIIGXMTONOFR-UHFFFAOYSA-N 0 0 376.588 8.285 50 30 GKEARN CC(C)c1nc(C#N)c(N=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)o1 ZINC000006754591 519858157 /nfs/dbraw/zinc/85/81/57/519858157.db2.gz BJVDQBHTSUQUHV-YSURURNPSA-N 0 0 388.349 5.394 50 30 GKEARN CCCC(=O)C1=C(Nc2ccc(N=Nc3ccccc3)cc2)CC(C)(C)CC1=O ZINC000004794713 519861868 /nfs/dbraw/zinc/86/18/68/519861868.db2.gz ATNLOUZVNQODIE-CYYJNZCTSA-N 0 0 389.499 6.526 50 30 GKEARN CCCCC(=O)NC(=NCCc1c[nH]c2ccccc12)Nc1ccc(OC)cc1 ZINC000032943184 519887197 /nfs/dbraw/zinc/88/71/97/519887197.db2.gz SMYCAGDEOPYXQW-UHFFFAOYSA-N 0 0 392.503 5.143 50 30 GKEARN CCCNC(=O)c1ccsc1/N=C/c1cc(Cl)ccc1OCCC(C)C ZINC000006399696 519905710 /nfs/dbraw/zinc/90/57/10/519905710.db2.gz DTEYLVPZBPTNDH-YDZHTSKRSA-N 0 0 392.952 5.717 50 30 GKEARN CCCCC/C=C\C/C=C\CCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000100362815 519917592 /nfs/dbraw/zinc/91/75/92/519917592.db2.gz DXXZWPDPHMIAHP-HZJYTTRNSA-N 0 0 377.525 5.407 50 30 GKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000020503297 519929128 /nfs/dbraw/zinc/92/91/28/519929128.db2.gz HEALUKCCTYDROI-HSZRJFAPSA-N 0 0 378.472 5.367 50 30 GKEARN CCCCCCCC(=O)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000102992686 519960325 /nfs/dbraw/zinc/96/03/25/519960325.db2.gz ICACSSKPAVJCAK-UHFFFAOYSA-N 0 0 388.555 5.935 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccc(C)cn21 ZINC000102993304 519963379 /nfs/dbraw/zinc/96/33/79/519963379.db2.gz NBGFDLHBDWEYLY-UHFFFAOYSA-N 0 0 379.504 5.617 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000097950782 519963557 /nfs/dbraw/zinc/96/35/57/519963557.db2.gz PMNXKWYKTDOLPZ-HNNXBMFYSA-N 0 0 383.722 5.411 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000003106850 519963587 /nfs/dbraw/zinc/96/35/87/519963587.db2.gz RHLATCIAXTYWHF-INIZCTEOSA-N 0 0 396.742 5.247 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000003122763 519964079 /nfs/dbraw/zinc/96/40/79/519964079.db2.gz KRTJGGJLMFFXQB-INIZCTEOSA-N 0 0 395.758 5.280 50 30 GKEARN CCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000100165707 519965432 /nfs/dbraw/zinc/96/54/32/519965432.db2.gz PMNFAXDABDXOHD-XDHOZWIPSA-N 0 0 392.539 6.972 50 30 GKEARN CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC ZINC000100140477 519971143 /nfs/dbraw/zinc/97/11/43/519971143.db2.gz AINIZSBLAFHZCP-KHPPLWFESA-N 0 0 380.657 8.538 50 30 in-vitro GKEARN CCCCCCCCC/C(=N\O)c1ccc(OCCCCCCCC)cc1O ZINC000100166363 519975562 /nfs/dbraw/zinc/97/55/62/519975562.db2.gz UKRASVYZKQFYMZ-WJTDDFOZSA-N 0 0 391.596 7.451 50 30 GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1 ZINC000098001391 519977713 /nfs/dbraw/zinc/97/77/13/519977713.db2.gz YOEMXGCNLCMOJW-UHFFFAOYSA-N 0 0 396.531 6.027 50 30 biogenic GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)OCCCCCCC)cc1 ZINC000098001370 519977797 /nfs/dbraw/zinc/97/77/97/519977797.db2.gz NGWRXTYBFXHYBU-UHFFFAOYSA-N 0 0 389.580 6.893 50 30 biogenic GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000098048305 519977967 /nfs/dbraw/zinc/97/79/67/519977967.db2.gz APBKSEONLGWHNH-UHFFFAOYSA-N 0 0 382.504 5.724 50 30 biogenic GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000098001402 519978070 /nfs/dbraw/zinc/97/80/70/519978070.db2.gz QEQKBGWIUXVXTO-UHFFFAOYSA-N 0 0 394.559 6.635 50 30 biogenic GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(CC)c2)cc1 ZINC000098001404 519978104 /nfs/dbraw/zinc/97/81/04/519978104.db2.gz ZXMHHESJCZFTDF-UHFFFAOYSA-N 0 0 394.559 6.581 50 30 biogenic GKEARN CCCCCCCCCC1CCC(c2ccc(-c3ccc(CC)cn3)cc2)CC1 ZINC000100566244 519980034 /nfs/dbraw/zinc/98/00/34/519980034.db2.gz YLMYYPBJWDYNHT-UHFFFAOYSA-N 0 0 391.643 8.726 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000002067947 519980105 /nfs/dbraw/zinc/98/01/05/519980105.db2.gz MILOIPFCVXHSDY-UHFFFAOYSA-N 0 0 393.483 5.533 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 ZINC000100166431 519980474 /nfs/dbraw/zinc/98/04/74/519980474.db2.gz REAXRIUPNWPULJ-HMMYKYKNSA-N 0 0 392.539 6.937 50 30 GKEARN CCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000002751642 519980947 /nfs/dbraw/zinc/98/09/47/519980947.db2.gz NJNWOMYMHKYDBI-HNNXBMFYSA-N 0 0 378.582 5.441 50 30 GKEARN CCCCCCCCCCC(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000095691945 519982049 /nfs/dbraw/zinc/98/20/49/519982049.db2.gz RDJRWYPYCXYZMK-UHFFFAOYSA-N 0 0 380.743 6.281 50 30 GKEARN CCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000002751643 519982460 /nfs/dbraw/zinc/98/24/60/519982460.db2.gz NJNWOMYMHKYDBI-OAHLLOKOSA-N 0 0 378.582 5.441 50 30 GKEARN CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC ZINC000070665937 519984547 /nfs/dbraw/zinc/98/45/47/519984547.db2.gz UDQQEQRPWIGNCC-YADHBBJMSA-N 0 0 391.552 5.082 50 30 biogenic GKEARN CCCCCCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc21 ZINC000097949447 519988651 /nfs/dbraw/zinc/98/86/51/519988651.db2.gz PPCWEQPWTDFZKK-UHFFFAOYSA-N 0 0 397.607 6.940 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)Nc1nc(=S)ss1 ZINC000095660891 519990329 /nfs/dbraw/zinc/99/03/29/519990329.db2.gz GWOCMAWYAOFFCB-UHFFFAOYSA-N 0 0 388.668 7.354 50 30 GKEARN CCCCCCCCCCCCCCCc1cc(=O)n(CC[NH+](CC)CC)[n-]1 ZINC000100854427 519990770 /nfs/dbraw/zinc/99/07/70/519990770.db2.gz XXDFFKVMSXTAPC-UHFFFAOYSA-N 0 0 393.660 6.398 50 30 GKEARN CCCCCCCCCCCCCCCCCCC(O)(C(C)(C)C)C(C)(C)C ZINC000095722638 519995071 /nfs/dbraw/zinc/99/50/71/519995071.db2.gz NFFRZKNOHOZTHY-UHFFFAOYSA-N 0 0 396.744 9.461 50 30 GKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1 ZINC000100856249 519995171 /nfs/dbraw/zinc/99/51/71/519995171.db2.gz GRYVQVCQOKBITE-UHFFFAOYSA-N 0 0 388.640 8.070 50 30 GKEARN CCCCCCCCCCCCCCCCCCCOC(=O)n1cccc1 ZINC000102060545 519995204 /nfs/dbraw/zinc/99/52/04/519995204.db2.gz BWGKWEUKSPWRDJ-UHFFFAOYSA-N 0 0 377.613 8.124 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000070455481 519995405 /nfs/dbraw/zinc/99/54/05/519995405.db2.gz XUDJZDNUVZHSKZ-UHFFFAOYSA-N 0 0 382.673 8.762 50 30 biogenic,in-vitro GKEARN CCCCCCCCCCCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 ZINC000100747835 519996887 /nfs/dbraw/zinc/99/68/87/519996887.db2.gz MVFKZKKZEDBEOF-JOCHJYFZSA-N 0 0 388.658 6.452 50 30 GKEARN CCCCCCCCCCCCCCCCCCc1ccc([N+](=O)[O-])cc1 ZINC000097973001 519997460 /nfs/dbraw/zinc/99/74/60/519997460.db2.gz XDWOIFDLFOKUTH-UHFFFAOYSA-N 0 0 375.597 8.399 50 30 GKEARN CCCCCCCCCCCCCCCCCCOc1ccc(C(C)=O)cc1 ZINC000101022775 519997525 /nfs/dbraw/zinc/99/75/25/519997525.db2.gz HGPQRVHYGGCJJN-UHFFFAOYSA-N 0 0 388.636 8.530 50 30 GKEARN CCCCCCCCCCCCCCCCCc1nc(N)nc(N(C)C)n1 ZINC000097954034 519999325 /nfs/dbraw/zinc/99/93/25/519999325.db2.gz HCYHXCFZMYCJBC-UHFFFAOYSA-N 0 0 377.621 5.934 50 30 GKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1N ZINC000101013945 520001518 /nfs/dbraw/zinc/00/15/18/520001518.db2.gz XQNIMDLCWSAZKL-UHFFFAOYSA-N 0 0 396.641 6.028 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccccc1/C(C)=N\O ZINC000102313753 520001793 /nfs/dbraw/zinc/00/17/93/520001793.db2.gz LAQKEBRZSVPZLB-LVWGJNHUSA-N 0 0 375.597 7.745 50 30 GKEARN CCCCCCCCCCCCCCCCOc1cccc(C(=O)OC)c1 ZINC000101016497 520001989 /nfs/dbraw/zinc/00/19/89/520001989.db2.gz DGSUCERRDKPGSO-UHFFFAOYSA-N 0 0 376.581 7.333 50 30 GKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)cc1 ZINC000073386034 520002773 /nfs/dbraw/zinc/00/27/73/520002773.db2.gz CQXBNGQFWUTDKW-UHFFFAOYSA-N 0 0 396.641 6.227 50 30 GKEARN CCCCCCCCCCCCCCCCSc1ccccc1[N+](=O)[O-] ZINC000100853154 520002796 /nfs/dbraw/zinc/00/27/96/520002796.db2.gz YBTXYRBDFAWNPQ-UHFFFAOYSA-N 0 0 379.610 8.168 50 30 GKEARN CCCCCCCCCCCCCCCCn1c2ccccc2[nH]c1=NC(C)=O ZINC000097949677 520003976 /nfs/dbraw/zinc/00/39/76/520003976.db2.gz MFAQIOBLSLPAHE-UHFFFAOYSA-N 0 0 399.623 6.898 50 30 GKEARN CCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000101172436 520004885 /nfs/dbraw/zinc/00/48/85/520004885.db2.gz BWGGWOUJAZVNOP-UHFFFAOYSA-N 0 0 381.626 6.317 50 30 GKEARN CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)OCC(C)(C)N1O ZINC000100406565 520006769 /nfs/dbraw/zinc/00/67/69/520006769.db2.gz XKWHHWBOJRTEHX-QHCPKHFHSA-N 0 0 398.608 6.183 50 30 GKEARN CCCCCCCCCCCCNC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000102180133 520009037 /nfs/dbraw/zinc/00/90/37/520009037.db2.gz KSPDGVIWTKDFKO-FOCLMDBBSA-N 0 0 384.391 7.044 50 30 GKEARN CCCCCCCCCCCCNC(=O)Nc1ccc(Br)cc1 ZINC000008426979 520010455 /nfs/dbraw/zinc/01/04/55/520010455.db2.gz KILDXBDISMBJKZ-UHFFFAOYSA-N 0 0 383.374 6.492 50 30 GKEARN CCCCCCCCCCCCSCC(=O)Nc1cccc2ccccc21 ZINC000100310710 520012886 /nfs/dbraw/zinc/01/28/86/520012886.db2.gz AYUVFMNHTPHONW-UHFFFAOYSA-N 0 0 385.617 7.432 50 30 GKEARN CCCCCCCCCCCCSCCS(=O)(=O)OCC(F)(F)F ZINC000102133997 520013618 /nfs/dbraw/zinc/01/36/18/520013618.db2.gz DXVVSRWWSKBVAA-UHFFFAOYSA-N 0 0 392.549 5.549 50 30 GKEARN CCCCCCCCCCCCSC(=O)Nc1ccccc1C(F)(F)F ZINC000101018444 520014067 /nfs/dbraw/zinc/01/40/67/520014067.db2.gz YXOJENLUSYMTDM-UHFFFAOYSA-N 0 0 389.527 7.891 50 30 GKEARN CCCCCCCCCCCCn1c(N)c(C#N)c2nc3ccccc3nc21 ZINC000002260841 520014989 /nfs/dbraw/zinc/01/49/89/520014989.db2.gz UXCYHHJAZRLENS-UHFFFAOYSA-N 0 0 377.536 5.959 50 30 GKEARN CCCCCCCCCCCNc1c2ccccc2[nH]c(=O)c1C(=O)OCC ZINC000097949636 520015585 /nfs/dbraw/zinc/01/55/85/520015585.db2.gz QFJCCXSFXDNASC-UHFFFAOYSA-N 0 0 386.536 5.648 50 30 GKEARN CCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1/C2=N\O ZINC000100782251 520017221 /nfs/dbraw/zinc/01/72/21/520017221.db2.gz DAUJZNKMWMMXCE-SHHOIMCASA-N 0 0 393.527 6.581 50 30 GKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)o1 ZINC000100721941 520018261 /nfs/dbraw/zinc/01/82/61/520018261.db2.gz BNDGEMVLCQAMOX-UHFFFAOYSA-N 0 0 392.931 6.440 50 30 GKEARN CCCCCCCCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000098048083 520018277 /nfs/dbraw/zinc/01/82/77/520018277.db2.gz LFGLBICIDNLQQF-UHFFFAOYSA-N 0 0 392.591 6.956 50 30 GKEARN CCCCCCCCCCOCCCNC(=O)c1ccc2ccccc2c1O ZINC000102054385 520021824 /nfs/dbraw/zinc/02/18/24/520021824.db2.gz RZHVLRFICXJXRZ-UHFFFAOYSA-N 0 0 385.548 5.823 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000100287129 520021830 /nfs/dbraw/zinc/02/18/30/520021830.db2.gz HRTRBWUBMVSTRI-UHFFFAOYSA-N 0 0 379.544 6.409 50 30 GKEARN CCCCCCCCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000097954991 520021910 /nfs/dbraw/zinc/02/19/10/520021910.db2.gz BUZIILBMPBPZSF-NRFANRHFSA-N 0 0 381.560 6.313 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000102454715 520022861 /nfs/dbraw/zinc/02/28/61/520022861.db2.gz JFBFXQJBJBLWAE-UHFFFAOYSA-N 0 0 386.511 6.989 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000100284780 520023046 /nfs/dbraw/zinc/02/30/46/520023046.db2.gz DGPAFASZKCKMJK-UHFFFAOYSA-N 0 0 382.548 7.159 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2CC)cc1 ZINC000100283788 520023248 /nfs/dbraw/zinc/02/32/48/520023248.db2.gz MAFCXMHOPAEBFJ-UHFFFAOYSA-N 0 0 396.575 7.413 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000098048837 520024107 /nfs/dbraw/zinc/02/41/07/520024107.db2.gz LFLNYGRMNDVWJX-OAQYLSRUSA-N 0 0 376.541 5.507 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1 ZINC000098043298 520024350 /nfs/dbraw/zinc/02/43/50/520024350.db2.gz ZEAFQGGDZNNZLD-UHFFFAOYSA-N 0 0 396.575 7.413 50 30 GKEARN CCCCCCCCCCSc1n[nH]c(-c2ccc(OC)c(OC)c2)n1 ZINC000097954100 520024415 /nfs/dbraw/zinc/02/44/15/520024415.db2.gz UXMVGSMPLBOWQH-UHFFFAOYSA-N 0 0 377.554 5.722 50 30 GKEARN CCCCCCCCCCc1cc(Br)sc1Br ZINC000002564814 520026159 /nfs/dbraw/zinc/02/61/59/520026159.db2.gz CQDSRZZKSUNTSB-UHFFFAOYSA-N 0 0 382.205 6.956 50 30 GKEARN CCCCCCCCCOc1ccc(-c2ncc(CCCCCC)cn2)cc1 ZINC000097998431 520029533 /nfs/dbraw/zinc/02/95/33/520029533.db2.gz WKHRWWOOFQQILG-UHFFFAOYSA-N 0 0 382.592 7.396 50 30 GKEARN CCCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(CC)cc1 ZINC000050861892 520035661 /nfs/dbraw/zinc/03/56/61/520035661.db2.gz QXHWSSRYGQKTLS-UHFFFAOYSA-N 0 0 391.559 5.987 50 30 GKEARN CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1 ZINC000095704931 520041285 /nfs/dbraw/zinc/04/12/85/520041285.db2.gz HAKMAMKAFTZXOZ-UHFFFAOYSA-N 0 0 382.525 7.259 50 30 GKEARN CCCCCCCCOc1ccc(NC2=C(N)C(=O)c3ccccc3C2=O)cc1 ZINC000100798355 520043871 /nfs/dbraw/zinc/04/38/71/520043871.db2.gz MWJGYHLDCAVQGV-UHFFFAOYSA-N 0 0 392.499 5.087 50 30 GKEARN CCCCCCCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000100485448 520044133 /nfs/dbraw/zinc/04/41/33/520044133.db2.gz VBTCGCVJVKEFHO-UHFFFAOYSA-N 0 0 395.293 6.001 50 30 GKEARN CCCCCCCCOc1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000102739121 520044812 /nfs/dbraw/zinc/04/48/12/520044812.db2.gz KMRGBKAZRIZNMP-QHCPKHFHSA-N 0 0 383.557 6.205 50 30 GKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 ZINC000217732876 520045368 /nfs/dbraw/zinc/04/53/68/520045368.db2.gz IOSIRTRMZQGJMH-LJQANCHMSA-N 0 0 396.483 5.596 50 30 biogenic GKEARN CCCCCCCCc1cnc(-c2ccc(OCCCCCCC)cc2)nc1 ZINC000097949655 520050132 /nfs/dbraw/zinc/05/01/32/520050132.db2.gz URHKQYKCNSLHHG-UHFFFAOYSA-N 0 0 382.592 7.396 50 30 GKEARN CCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc21 ZINC000002578180 520061585 /nfs/dbraw/zinc/06/15/85/520061585.db2.gz WDZLVHIBMTUNIE-UHFFFAOYSA-N 0 0 391.511 6.346 50 30 GKEARN CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000002581544 520062263 /nfs/dbraw/zinc/06/22/63/520062263.db2.gz PYECGCIRNWUOBC-UHFFFAOYSA-N 0 0 395.930 6.991 50 30 GKEARN CCCCCCCOc1ccc(-c2ccc(C(=O)O[C@@H](C)CCCC)cc2)cc1 ZINC000097997875 520062422 /nfs/dbraw/zinc/06/24/22/520062422.db2.gz QCMYDCCXLQROKW-NRFANRHFSA-N 0 0 396.571 7.438 50 30 biogenic GKEARN CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc21 ZINC000002302828 520062690 /nfs/dbraw/zinc/06/26/90/520062690.db2.gz PUBUHTIOSULNNM-UHFFFAOYSA-N 0 0 375.512 6.646 50 30 GKEARN CCCCCCCOc1ccc(OC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 ZINC000100488048 520064568 /nfs/dbraw/zinc/06/45/68/520064568.db2.gz PBUXJPMSHPIOSS-UHFFFAOYSA-N 0 0 399.487 5.215 50 30 GKEARN CCCCCCCc1ccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)C32)cc1 ZINC000017297107 520069315 /nfs/dbraw/zinc/06/93/15/520069315.db2.gz VSPFNBNPBIZQFX-OAQYLSRUSA-N 0 0 390.552 5.737 50 30 GKEARN CCCCCCCc1ccc(C(=O)O/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000003128754 520069520 /nfs/dbraw/zinc/06/95/20/520069520.db2.gz XALSBKNYKSYPQA-BUVRLJJBSA-N 0 0 392.326 6.697 50 30 GKEARN CCCCCCCc1ccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)C32)cc1 ZINC000017297104 520070142 /nfs/dbraw/zinc/07/01/42/520070142.db2.gz VSPFNBNPBIZQFX-NRFANRHFSA-N 0 0 390.552 5.737 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000102598145 520077974 /nfs/dbraw/zinc/07/79/74/520077974.db2.gz UBTAMHWCHUNWDY-JBCNATCCSA-N 0 0 395.474 5.136 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000102594231 520078025 /nfs/dbraw/zinc/07/80/25/520078025.db2.gz SPQIIXOLIQEBSP-JBCNATCCSA-N 0 0 395.474 5.136 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000002069353 520228083 /nfs/dbraw/zinc/22/80/83/520228083.db2.gz QSPSRWIQHZGDPJ-HXUWFJFHSA-N 0 0 387.907 5.041 50 30 GKEARN CC1(C)CC(=O)C(C(/C=C/c2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100098438 520252009 /nfs/dbraw/zinc/25/20/09/520252009.db2.gz IHCRPHVAXDYTQR-DVQDXYAYSA-N 0 0 394.511 5.092 50 30 GKEARN CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(NCc2ccc(Cl)cc2)C1 ZINC000100424427 520253595 /nfs/dbraw/zinc/25/35/95/520253595.db2.gz ASZHVYVOEVMMKH-UHFFFAOYSA-N 0 0 398.959 5.512 50 30 GKEARN CC1(C)CC(=O)C(C(/C=C/c2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100098435 520253816 /nfs/dbraw/zinc/25/38/16/520253816.db2.gz IHCRPHVAXDYTQR-SXSDINLZSA-N 0 0 394.511 5.092 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018107524 520265652 /nfs/dbraw/zinc/26/56/52/520265652.db2.gz IZXCKXPPSFREQV-FQEVSTJZSA-N 0 0 397.862 5.470 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018107521 520266357 /nfs/dbraw/zinc/26/63/57/520266357.db2.gz IZXCKXPPSFREQV-HXUWFJFHSA-N 0 0 397.862 5.470 50 30 GKEARN CC1(C)CC(=O)C=C(NCCCCCCCCNC2=CC(=O)CC(C)(C)C2)C1 ZINC000013144544 520272556 /nfs/dbraw/zinc/27/25/56/520272556.db2.gz QZZPXOWMJWHPNN-UHFFFAOYSA-N 0 0 388.596 5.052 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Cl ZINC000102676790 520288182 /nfs/dbraw/zinc/28/81/82/520288182.db2.gz YORLXTQJIUNPIX-LJQANCHMSA-N 0 0 389.882 6.118 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Cl)c1 ZINC000018066463 520288850 /nfs/dbraw/zinc/28/88/50/520288850.db2.gz NNXUNPKFZOWYSL-IBGZPJMESA-N 0 0 389.882 6.118 50 30 GKEARN CCCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCC)cc2)=N\O)cc1 ZINC000004611474 520318889 /nfs/dbraw/zinc/31/88/89/520318889.db2.gz ZHCGXFOZYZYWBD-HKOLQMFGSA-N 0 0 398.503 5.491 50 30 GKEARN CCCCN(C)c1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000003047598 520432725 /nfs/dbraw/zinc/43/27/25/520432725.db2.gz KEYHHBHSRRUUQR-HYARGMPZSA-N 0 0 388.968 5.205 50 30 GKEARN CCCOc1ccccc1/C=C1/CC/C(=C/c2ccccc2OCCC)C1=O ZINC000033692317 520471717 /nfs/dbraw/zinc/47/17/17/520471717.db2.gz QVWQOFSDUSHGBP-SVJWQLCWSA-N 0 0 376.496 6.094 50 30 GKEARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=NNc1ccccc1 ZINC000100117949 520573043 /nfs/dbraw/zinc/57/30/43/520573043.db2.gz BLBMZKLWBHYTBG-BMNAXSRBSA-N 0 0 395.506 5.338 50 30 GKEARN CCOc1c(Br)cc(/C=C\C(=O)c2ccc(F)cc2F)cc1OC ZINC000033476470 520590339 /nfs/dbraw/zinc/59/03/39/520590339.db2.gz KHYLYIOOGBWNLE-DAXSKMNVSA-N 0 0 397.215 5.031 50 30 GKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 ZINC000003094423 520700969 /nfs/dbraw/zinc/70/09/69/520700969.db2.gz HELHPUJNDFALCL-JOCHJYFZSA-N 0 0 395.543 5.196 50 30 GKEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 ZINC000013656145 520740215 /nfs/dbraw/zinc/74/02/15/520740215.db2.gz KJOWMCRJECNNEU-ZDLGFXPLSA-N 0 0 392.282 5.157 50 30 GKEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020647001 520741398 /nfs/dbraw/zinc/74/13/98/520741398.db2.gz RYHCFSDZDNDOIE-NVMNQCDNSA-N 0 0 392.282 5.157 50 30 GKEARN CCOc1ccc(-c2csc(C(C#N)=NNc3cccc(C)c3C)n2)cc1 ZINC000006355343 520811004 /nfs/dbraw/zinc/81/10/04/520811004.db2.gz KXCKRTKNMJNILM-PLRJNAJWSA-N 0 0 376.485 5.165 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019536434 520817601 /nfs/dbraw/zinc/81/76/01/520817601.db2.gz OTFDWSUSTRONCA-OAQYLSRUSA-N 0 0 399.918 5.184 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019798123 520820773 /nfs/dbraw/zinc/82/07/73/520820773.db2.gz ONIZFNUXCGRDPT-QFIPXVFZSA-N 0 0 393.527 5.167 50 30 GKEARN CCOc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC)cc2)=N/O)cc1 ZINC000013550784 520842904 /nfs/dbraw/zinc/84/29/04/520842904.db2.gz JXCQTUNFQOMDCS-MBALSZOMSA-N 0 0 384.476 5.101 50 30 GKEARN CC1=CC(=O)C(=C2C[C@@H](c3ccc(C(C)C)cc3)Nc3ccccc3N2)C(=O)O1 ZINC000102437424 520849607 /nfs/dbraw/zinc/84/96/07/520849607.db2.gz MESVCKMYEZGKCC-SSRRSSPNSA-N 0 0 388.467 5.063 50 30 GKEARN CCOc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1 ZINC000000680941 520858184 /nfs/dbraw/zinc/85/81/84/520858184.db2.gz KJHVATGUAPKDDX-MFKUBSTISA-N 0 0 379.431 5.563 50 30 GKEARN CCN(CC)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000005071788 520879393 /nfs/dbraw/zinc/87/93/93/520879393.db2.gz GOYWZPGSVWDZLK-PYCFMQQDSA-N 0 0 395.506 5.833 50 30 GKEARN CCCC[C@@H](CC)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)c2ccccc21 ZINC000004655631 521022707 /nfs/dbraw/zinc/02/27/07/521022707.db2.gz VPZWBKSYSNFFTK-LJQANCHMSA-N 0 0 390.523 6.436 50 30 GKEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020617815 521026531 /nfs/dbraw/zinc/02/65/31/521026531.db2.gz HEIPJRLDXVSPHV-DYESRHJHSA-N 0 0 385.548 5.485 50 30 GKEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020617811 521027082 /nfs/dbraw/zinc/02/70/82/521027082.db2.gz HEIPJRLDXVSPHV-UTKZUKDTSA-N 0 0 385.548 5.485 50 30 GKEARN CCCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O ZINC000005093467 521120464 /nfs/dbraw/zinc/12/04/64/521120464.db2.gz ISUKVHSUZDVZOS-MXWPMSCXSA-N 0 0 385.558 5.081 50 30 GKEARN CCC(=O)Oc1ccc(/C=N/c2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000004460298 521231759 /nfs/dbraw/zinc/23/17/59/521231759.db2.gz CIOKZIAEFQCOJV-HNJVETBBSA-N 0 0 383.447 5.649 50 30 GKEARN CCC(C)(C)C1CCC(=NNC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000006349583 521276308 /nfs/dbraw/zinc/27/63/08/521276308.db2.gz INVVPFHVGNCCNI-UHFFFAOYSA-N 0 0 385.499 5.974 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc(O)c4)c3c2C1 ZINC000005063385 521366246 /nfs/dbraw/zinc/36/62/46/521366246.db2.gz LBJIJJHEFFVDTQ-FCUAXUHVSA-N 0 0 394.544 5.384 50 30 GKEARN CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1ccc(O)c(OC)c1 ZINC000001052385 521372517 /nfs/dbraw/zinc/37/25/17/521372517.db2.gz NPUKQWUERDVVRX-WSDLNYQXSA-N 0 0 381.453 5.057 50 30 GKEARN CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/c1cccc2ccccc21 ZINC000100054930 521449273 /nfs/dbraw/zinc/44/92/73/521449273.db2.gz MUZWWNBEPIIFMW-FVDSYPCUSA-N 0 0 392.458 5.869 50 30 GKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(N(C)C)cc3)c2C)cc1 ZINC000000843451 521461850 /nfs/dbraw/zinc/46/18/50/521461850.db2.gz ZNLIOSYSICSREN-PCLIKHOPSA-N 0 0 389.499 5.087 50 30 GKEARN CCCN1c2ccccc2C(=C2SC(=Nc3ccccc3Cl)NC2=O)C1=O ZINC000096582148 521698223 /nfs/dbraw/zinc/69/82/23/521698223.db2.gz GUSUEQGEGWHVDP-WUKNDPDISA-N 0 0 397.887 5.199 50 30 GKEARN CCN1c2ccccc2S/C1=C1/CC/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000100265656 521730897 /nfs/dbraw/zinc/73/08/97/521730897.db2.gz UXLACJIILMJOEW-CMAOETQDSA-N 0 0 376.525 5.343 50 30 GKEARN CCSc1ncc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)n1C ZINC000004002359 521786426 /nfs/dbraw/zinc/78/64/26/521786426.db2.gz NEKVATIRHWNBGP-QPSGOUHRSA-N 0 0 397.253 5.304 50 30 GKEARN COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2sccc2C)ccc1O ZINC000027531944 521906073 /nfs/dbraw/zinc/90/60/73/521906073.db2.gz DWUUYZVFPNMFLR-WSDLNYQXSA-N 0 0 377.469 5.144 50 30 GKEARN COc1cc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cc(Cl)c1O ZINC000032639089 521937178 /nfs/dbraw/zinc/93/71/78/521937178.db2.gz RACFHEJVQMFMKF-IZZDOVSWSA-N 0 0 385.891 5.331 50 30 GKEARN COc1cc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)ccc1OCC#N ZINC000012602085 521938323 /nfs/dbraw/zinc/93/83/23/521938323.db2.gz JGYUPIBKRQJFPX-MKMNVTDBSA-N 0 0 399.446 5.192 50 30 GKEARN COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002649800 521965165 /nfs/dbraw/zinc/96/51/65/521965165.db2.gz RZDRNZKYDOIDPP-XDHOZWIPSA-N 0 0 390.866 5.750 50 30 GKEARN COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1OCc1ccccc1 ZINC000096765835 521981513 /nfs/dbraw/zinc/98/15/13/521981513.db2.gz QELNEBHEVGYUDA-DHDCSXOGSA-N 0 0 387.479 5.236 50 30 GKEARN COc1cc(C=NNc2ccccc2)ccc1OC(=O)c1ccc2ccccc2c1 ZINC000004113858 521991879 /nfs/dbraw/zinc/99/18/79/521991879.db2.gz AWJYNNJRMHXPON-YZSQISJMSA-N 0 0 396.446 5.514 50 30 GKEARN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccccc1 ZINC000018062197 521998554 /nfs/dbraw/zinc/99/85/54/521998554.db2.gz VAPQJLSTGSTPPE-ZVHZXABRSA-N 0 0 379.843 5.627 50 30 GKEARN CN(C)c1ccc(/C=C2\CCC/C(=C\c3ccccc3OC(F)F)C2=O)cc1 ZINC000033693533 522130713 /nfs/dbraw/zinc/13/07/13/522130713.db2.gz JPBAZZFOMMVXAC-JSAVKQRWSA-N 0 0 383.438 5.574 50 30 GKEARN CN(C)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004044547 522247562 /nfs/dbraw/zinc/24/75/62/522247562.db2.gz HABHIONEEBQZDM-XMMPIXPASA-N 0 0 396.534 6.106 50 30 GKEARN CN(CC(=O)NC1(C#N)CCCCC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238229 522403732 /nfs/dbraw/zinc/40/37/32/522403732.db2.gz WHFJSQBRDZYRDD-JOCHJYFZSA-N 0 0 379.479 5.030 50 30 GKEARN CCn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000245238832 523306247 /nfs/dbraw/zinc/30/62/47/523306247.db2.gz BLUXDDQLXIXNPG-JDBRJUSWSA-N 0 0 380.576 5.898 50 30 GKEARN COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)cc3ccccn32)cc1OC ZINC000005577340 523399883 /nfs/dbraw/zinc/39/98/83/523399883.db2.gz ZMSSUAATQZAEJM-ACCUITESSA-N 0 0 383.447 5.520 50 30 GKEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1cccc(C)c1C ZINC000004812798 523403435 /nfs/dbraw/zinc/40/34/35/523403435.db2.gz QSNSYONOAUIYGL-NTUHNPAUSA-N 0 0 388.463 5.493 50 30 GKEARN COc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)c2ccccc12 ZINC000002825375 523420154 /nfs/dbraw/zinc/42/01/54/523420154.db2.gz KBPBRHMVIGRWIP-UYRXBGFRSA-N 0 0 391.517 5.752 50 30 GKEARN COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)cc3ccccn32)cc1OC ZINC000033713357 523432783 /nfs/dbraw/zinc/43/27/83/523432783.db2.gz ZMSSUAATQZAEJM-QBFSEMIESA-N 0 0 383.447 5.520 50 30 GKEARN COc1ccc(/C=C\C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000033924134 523432896 /nfs/dbraw/zinc/43/28/96/523432896.db2.gz ISWRRDOUHVZSIM-VBKFSLOCSA-N 0 0 393.486 6.423 50 30 GKEARN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 ZINC000032691026 523461918 /nfs/dbraw/zinc/46/19/18/523461918.db2.gz BRGRSZBUTNUMAK-QQXSKIMKSA-N 0 0 398.441 5.404 50 30 GKEARN COc1ccc(/N=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000100666181 523473430 /nfs/dbraw/zinc/47/34/30/523473430.db2.gz SBLIHOVFGGIGKX-QQXSKIMKSA-N 0 0 393.446 6.045 50 30 GKEARN COc1ccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)cc1OC ZINC000009576040 523535308 /nfs/dbraw/zinc/53/53/08/523535308.db2.gz QRDLLHQIJKWNJL-LGMDPLHJSA-N 0 0 389.407 5.170 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c(OCc2ccccc2)c1 ZINC000004012929 523539638 /nfs/dbraw/zinc/53/96/38/523539638.db2.gz ICZMBFLBFVMQAF-WYMLVPIESA-N 0 0 384.431 5.917 50 30 biogenic GKEARN COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccccc2C)c1 ZINC000004279062 523542752 /nfs/dbraw/zinc/54/27/52/523542752.db2.gz AEBPWSKPJPLTSP-ZRDIBKRKSA-N 0 0 378.449 5.180 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000022023346 523542870 /nfs/dbraw/zinc/54/28/70/523542870.db2.gz OAANGLUEPJCFPT-SDNWHVSQSA-N 0 0 386.476 5.506 50 30 GKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000004725106 523543819 /nfs/dbraw/zinc/54/38/19/523543819.db2.gz RFMYEQNRMZWMEZ-WJDWOHSUSA-N 0 0 398.437 5.583 50 30 GKEARN CN(c1ccccc1)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000034687679 523651943 /nfs/dbraw/zinc/65/19/43/523651943.db2.gz HRASQXUNRHBBFH-CYVLTUHYSA-N 0 0 384.435 5.575 50 30 GKEARN CC[C@@]1(C)C[C@@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 ZINC000100576220 523725902 /nfs/dbraw/zinc/72/59/02/523725902.db2.gz XTRWYLUNPNUULW-XFIYODHJSA-N 0 0 381.516 5.127 50 30 GKEARN CN(/N=C\c1cccc(F)c1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032691023 523771200 /nfs/dbraw/zinc/77/12/00/523771200.db2.gz PKNIEUROUJMXJN-ONUIUJJFSA-N 0 0 382.442 5.420 50 30 GKEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 ZINC000017077822 523875851 /nfs/dbraw/zinc/87/58/51/523875851.db2.gz JBSVFIXRPCUCBB-QNQNADBQSA-N 0 0 380.513 5.270 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccccc2s1 ZINC000012603898 524034549 /nfs/dbraw/zinc/03/45/49/524034549.db2.gz ICVGZDZGLWXXGR-UNOMPAQXSA-N 0 0 380.538 5.269 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccccc2s1 ZINC000003222328 524034961 /nfs/dbraw/zinc/03/49/61/524034961.db2.gz ICVGZDZGLWXXGR-XDHOZWIPSA-N 0 0 380.538 5.269 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(C2CCCCC2)o1 ZINC000096499155 524035380 /nfs/dbraw/zinc/03/53/80/524035380.db2.gz AWGCYZKGMDGIFV-CPNJWEJPSA-N 0 0 397.544 5.090 50 30 GKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COc1ccc(Cl)cc1Cl ZINC000003251825 524035445 /nfs/dbraw/zinc/03/54/45/524035445.db2.gz YSRPCABGAOBMEB-YBFXNURJSA-N 0 0 376.283 5.253 50 30 GKEARN Cc1ccc2oc(-c3ccc(/N=C/c4c(O)ccc5ccccc54)c(C)c3)nc2c1 ZINC000100517865 524085666 /nfs/dbraw/zinc/08/56/66/524085666.db2.gz SIWQLWBWQODIMY-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)nc2c1 ZINC000100503078 524085922 /nfs/dbraw/zinc/08/59/22/524085922.db2.gz OAMFHAAAHPANMS-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN Cc1cc(C)c(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000082111805 524213633 /nfs/dbraw/zinc/21/36/33/524213633.db2.gz BWHYWSKENLRYDG-UHFFFAOYSA-N 0 0 381.451 5.126 50 30 GKEARN COc1ccccc1N=NC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004566496 524327866 /nfs/dbraw/zinc/32/78/66/524327866.db2.gz JMNOIDKKFFSOIT-JVVTXYFXSA-N 0 0 375.388 5.161 50 30 GKEARN COc1ccccc1C(=O)N=C1Nc2ccccc2N=C(C)[C@@H]1c1ccccc1 ZINC000009305434 524330377 /nfs/dbraw/zinc/33/03/77/524330377.db2.gz SGYNPVXSORBZDE-JOCHJYFZSA-N 0 0 383.451 5.236 50 30 GKEARN COc1ccc(N=C2S/C(=C\c3ccc(C)s3)C(=O)N2CC(C)C)cc1 ZINC000252604817 524449129 /nfs/dbraw/zinc/44/91/29/524449129.db2.gz GDSLTYMPFOSGQT-RYBWPTGJSA-N 0 0 386.542 5.325 50 30 GKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCOCC2)c1 ZINC000096794656 534792851 /nfs/dbraw/zinc/79/28/51/534792851.db2.gz ARZLUVABCQAYQS-NTMALXAHSA-N 0 0 393.870 5.333 50 30 GKEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 ZINC000007791057 524650940 /nfs/dbraw/zinc/65/09/40/524650940.db2.gz QQPPEKGQSZEFBZ-SFHVURJKSA-N 0 0 399.523 5.297 50 30 GKEARN Cc1ccc(CSc2nncn2/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000002606482 524652862 /nfs/dbraw/zinc/65/28/62/524652862.db2.gz DOQSCLCYARYHJW-ZVBGSRNCSA-N 0 0 377.300 5.068 50 30 GKEARN COc1ccc(OC)c(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000005071896 524798455 /nfs/dbraw/zinc/79/84/55/524798455.db2.gz CRICOUIPKPGWFW-CYVLTUHYSA-N 0 0 384.435 5.004 50 30 GKEARN COc1ccc(OC)c(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)c1 ZINC000012377890 524798632 /nfs/dbraw/zinc/79/86/32/524798632.db2.gz YVZPEJKELGQODQ-HMMYKYKNSA-N 0 0 399.446 5.577 50 30 GKEARN Cc1ccc(NC=C2Nc3ccc(Br)c(Cl)c3C2=O)cc1C ZINC000101349932 524914151 /nfs/dbraw/zinc/91/41/51/524914151.db2.gz KSRPEOFBNHHHPV-RIYZIHGNSA-N 0 0 377.669 5.281 50 30 GKEARN Cc1ccc(NC=CC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000100142927 524914564 /nfs/dbraw/zinc/91/45/64/524914564.db2.gz JKASPXWUJFHTBG-CCEZHUSRSA-N 0 0 377.871 6.036 50 30 GKEARN COc1ccc(Oc2sc(/N=C/c3ccco3)nc2-c2ccccc2)cc1 ZINC000080340536 524996896 /nfs/dbraw/zinc/99/68/96/524996896.db2.gz PNLICICZGBAXTG-HYARGMPZSA-N 0 0 376.437 5.955 50 30 GKEARN Cc1ccccc1-c1nc2cc(/N=C/C=C/c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000100501555 525012277 /nfs/dbraw/zinc/01/22/77/525012277.db2.gz XDHGUBUUZTVAEU-FKORGFIESA-N 0 0 383.407 6.127 50 30 GKEARN C[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1cccc2ccccc21 ZINC000015741470 525038402 /nfs/dbraw/zinc/03/84/02/525038402.db2.gz XBSBGPKCLRCGSM-JUWJPQTCSA-N 0 0 393.490 5.599 50 30 GKEARN Cc1ccccc1/N=C1\c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000100280556 525042703 /nfs/dbraw/zinc/04/27/03/525042703.db2.gz KLCZQKKPTZPARA-IMVLJIQESA-N 0 0 376.459 5.816 50 30 GKEARN Cc1ccccc1C(=O)Oc1ccc(F)cc1C(=O)/C=C/c1ccccc1F ZINC000004834095 525065627 /nfs/dbraw/zinc/06/56/27/525065627.db2.gz LXLJAQDTYWRSDG-ZRDIBKRKSA-N 0 0 378.374 5.389 50 30 GKEARN COc1ccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC000004558012 525116090 /nfs/dbraw/zinc/11/60/90/525116090.db2.gz LXBMRKPVQBTWKB-XZOQPEGZSA-N 0 0 397.478 5.120 50 30 GKEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1cccc2ccccc12 ZINC000013564511 525132652 /nfs/dbraw/zinc/13/26/52/525132652.db2.gz MPHAHWLFVVSQTN-FHALBHEESA-N 0 0 387.508 5.002 50 30 GKEARN Cc1ccccc1C[C@@H]1S/C(=N/N=C/c2ccccc2)N(c2ccccc2)C1=O ZINC000028294294 525194180 /nfs/dbraw/zinc/19/41/80/525194180.db2.gz GVJYKXMMLRULQL-VDSIAQTOSA-N 0 0 399.519 5.076 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1 ZINC000020745456 525234667 /nfs/dbraw/zinc/23/46/67/525234667.db2.gz JKWPECDRTOODDB-QKKBWIMNSA-N 0 0 392.480 5.011 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1 ZINC000020732272 525234921 /nfs/dbraw/zinc/23/49/21/525234921.db2.gz FCNAYAICRQMOHO-MGPUTAFESA-N 0 0 392.480 5.011 50 30 GKEARN CSC1=N/C(=N\c2ccccc2C)[C@@]2(CCOC(C)(C)C2)N1c1ccccc1 ZINC000013777090 525342410 /nfs/dbraw/zinc/34/24/10/525342410.db2.gz QESDNDNVNAZGHV-ODMPFRHRSA-N 0 0 393.556 5.592 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccccc1Cl ZINC000013739323 525342695 /nfs/dbraw/zinc/34/26/95/525342695.db2.gz QFQACNGTNDXPGA-GFMRDNFCSA-N 0 0 397.975 6.539 50 30 GKEARN CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1cccc(C)c1 ZINC000017241856 525342903 /nfs/dbraw/zinc/34/29/03/525342903.db2.gz DHVKNNJOWWIELT-GFMRDNFCSA-N 0 0 397.975 6.621 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccc(C)cc1 ZINC000013739222 525343482 /nfs/dbraw/zinc/34/34/82/525343482.db2.gz HWHXTHDOKJNVFO-FLFQWRMESA-N 0 0 377.557 6.194 50 30 GKEARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O ZINC000097528767 525350710 /nfs/dbraw/zinc/35/07/10/525350710.db2.gz IWWSCPLMANPYFX-SSKSBXBHSA-N 0 0 382.569 5.634 50 30 GKEARN Cc1ccc(OC(=O)c2ccccc2F)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013766045 525366641 /nfs/dbraw/zinc/36/66/41/525366641.db2.gz RPLDRWHPMNPTFN-BKUYFWCQSA-N 0 0 390.435 5.683 50 30 GKEARN COc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 ZINC000005527106 525428894 /nfs/dbraw/zinc/42/88/94/525428894.db2.gz JSQYHPONISJPOF-RRQHQGNBSA-N 0 0 377.465 5.122 50 30 GKEARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)NC(C)(C)C ZINC000013878750 525428944 /nfs/dbraw/zinc/42/89/44/525428944.db2.gz MTBQWEMRWFBDHH-UHFFFAOYSA-N 0 0 387.524 5.337 50 30 GKEARN COc1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)cc1OC ZINC000012371283 525442438 /nfs/dbraw/zinc/44/24/38/525442438.db2.gz FULVUKFWGMCSLL-QHCPKHFHSA-N 0 0 385.463 5.422 50 30 GKEARN Cc1c(C(=O)/C=C\c2ccc(COc3ccc(Cl)cc3Cl)o2)cnn1C ZINC000032479682 525552678 /nfs/dbraw/zinc/55/26/78/525552678.db2.gz AMWCGYDXAQNDIV-SREVYHEPSA-N 0 0 391.254 5.103 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1nc3ccccc3[nH]1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001262664 525592899 /nfs/dbraw/zinc/59/28/99/525592899.db2.gz UEGLTOVELSCWHO-JOCHJYFZSA-N 0 0 386.499 5.402 50 30 GKEARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101764180 525627916 /nfs/dbraw/zinc/62/79/16/525627916.db2.gz VYJSQICIZLJLJQ-XPHVRJPMSA-N 0 0 386.417 5.767 50 30 GKEARN COc1ccc2ccccc2c1/C=N/c1ccccc1Sc1c(C)n[nH]c1C ZINC000000973843 525651346 /nfs/dbraw/zinc/65/13/46/525651346.db2.gz OKADARDMYUKRLD-ZVHZXABRSA-N 0 0 387.508 6.090 50 30 GKEARN Cc1cc2nc(-c3cccc(/N=C/c4cccc(Cl)c4Cl)c3)oc2c(C)c1 ZINC000100524121 525668497 /nfs/dbraw/zinc/66/84/97/525668497.db2.gz YAKUZLSFGQEYMP-BRJLIKDPSA-N 0 0 395.289 7.169 50 30 GKEARN COc1cccc(-c2cc(NC(=Nc3ccc(C(C)C)cc3)SC)[nH]n2)c1 ZINC000020440292 525697749 /nfs/dbraw/zinc/69/77/49/525697749.db2.gz LSHZINXEQKAIMG-UHFFFAOYSA-N 0 0 380.517 5.671 50 30 GKEARN Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C(=O)/C=C\c2ccccc2C)cc1 ZINC000096402489 525711485 /nfs/dbraw/zinc/71/14/85/525711485.db2.gz KBKPCCVGJIQINA-NXVVXOECSA-N 0 0 379.459 5.708 50 30 GKEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000015016544 525750996 /nfs/dbraw/zinc/75/09/96/525750996.db2.gz AULISVNGUHAOGL-PDGQHHTCSA-N 0 0 384.932 5.838 50 30 GKEARN COc1cccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000098042479 525782211 /nfs/dbraw/zinc/78/22/11/525782211.db2.gz RHPODUSZPDMSOD-NXVVXOECSA-N 0 0 380.447 5.444 50 30 GKEARN Cc1ccc([C@@H]2C[C@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005617819 525856559 /nfs/dbraw/zinc/85/65/59/525856559.db2.gz OJHCWLGHNUBRQP-HHNUCZQDSA-N 0 0 377.434 5.998 50 30 GKEARN Cc1ccc(-c2oc(/C=N/c3ccccc3)c([N+](=O)[O-])c2-c2ccc(C)cc2)cc1 ZINC000017222841 525887570 /nfs/dbraw/zinc/88/75/70/525887570.db2.gz YHIAXMWOWGCPTE-WGOQTCKBSA-N 0 0 396.446 6.889 50 30 GKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1)C2=O ZINC000253500733 525913626 /nfs/dbraw/zinc/91/36/26/525913626.db2.gz PORULZDRKHXBSZ-PSUVGDFMSA-N 0 0 376.540 5.573 50 30 GKEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000256965839 525914776 /nfs/dbraw/zinc/91/47/76/525914776.db2.gz QYOIZDDZJSQWGQ-HTAMAPHKSA-N 0 0 390.523 5.520 50 30 GKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)o1 ZINC000013759308 525959431 /nfs/dbraw/zinc/95/94/31/525959431.db2.gz PZFNVIYVPSEECK-ODLFYWEKSA-N 0 0 380.783 5.077 50 30 GKEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)o1 ZINC000019832315 525961203 /nfs/dbraw/zinc/96/12/03/525961203.db2.gz PFORUUQOMJIIPA-PZUCIDFCSA-N 0 0 388.492 6.013 50 30 GKEARN Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000004118302 526015286 /nfs/dbraw/zinc/01/52/86/526015286.db2.gz QGWQLBYIIJVZLZ-GIJQJNRQSA-N 0 0 398.502 6.408 50 30 GKEARN Cc1ccc([C@H]2C[C@@H]2/C(=N/OCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005617845 526034274 /nfs/dbraw/zinc/03/42/74/526034274.db2.gz OJHCWLGHNUBRQP-QYDMPPPVSA-N 0 0 377.434 5.998 50 30 GKEARN Cc1ccc(C(=O)Cn2c3ccccc3nc2C(=O)C=Cc2ccccc2)cc1 ZINC000033678503 526052240 /nfs/dbraw/zinc/05/22/40/526052240.db2.gz URNRXQBYTUFKOE-SSZFMOIBSA-N 0 0 380.447 5.124 50 30 GKEARN Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccccn1 ZINC000036832215 526083120 /nfs/dbraw/zinc/08/31/20/526083120.db2.gz QMGVMIHZELWEPE-MDZDMXLPSA-N 0 0 388.423 5.082 50 30 GKEARN C[C@H](C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc32)c1)c1ccccc1 ZINC000100013360 526152898 /nfs/dbraw/zinc/15/28/98/526152898.db2.gz HQSSEGBEYORUBY-CICSQNLLSA-N 0 0 394.474 6.038 50 30 in-vitro GKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 ZINC000169683829 526194751 /nfs/dbraw/zinc/19/47/51/526194751.db2.gz VPIGVRSDCDFOAW-OYKWSXSVSA-N 0 0 398.937 7.226 50 30 GKEARN C[C@@H](/N=C/c1ccc(O)c(Cc2c(F)cccc2Cl)c1O)c1ccccc1 ZINC000100092751 526235279 /nfs/dbraw/zinc/23/52/79/526235279.db2.gz VRDOWJCCMQWKGX-AZRQGOPLSA-N 0 0 383.850 5.661 50 30 GKEARN Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000005617807 526236635 /nfs/dbraw/zinc/23/66/35/526236635.db2.gz FDJQKCHTNAWAAI-RFHOTIDYSA-N 0 0 387.454 5.807 50 30 GKEARN Cc1ccc(C(=O)Oc2ccccc2/C=C2/Oc3ccc(Cl)cc3C2=O)cc1 ZINC000016806180 526238868 /nfs/dbraw/zinc/23/88/68/526238868.db2.gz JYXIMQBPDCKACB-CIAFOILYSA-N 0 0 390.822 5.484 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)ccc4O)c3)oc2c1 ZINC000100503047 526241022 /nfs/dbraw/zinc/24/10/22/526241022.db2.gz CKJJFTYSIJWOOM-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000004761537 526247908 /nfs/dbraw/zinc/24/79/08/526247908.db2.gz VEMSYPZPKDPLHL-UHFFFAOYSA-N 0 0 398.506 6.016 50 30 GKEARN Cc1ccc(C(C)C)c(OCCn2cc(C=Nc3nc[nH]n3)c3ccccc32)c1 ZINC000006613500 526248306 /nfs/dbraw/zinc/24/83/06/526248306.db2.gz QYPWBLLADDHJQR-ZMOGYAJESA-N 0 0 387.487 5.021 50 30 GKEARN Fc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(F)c1 ZINC000100411516 526323117 /nfs/dbraw/zinc/32/31/17/526323117.db2.gz UDYRXVHGZJRWMH-OPEKNORGSA-N 0 0 392.232 6.601 50 30 GKEARN Oc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 ZINC000032691028 526339975 /nfs/dbraw/zinc/33/99/75/526339975.db2.gz ZTXSGZSGMALTMH-MYYYXRDXSA-N 0 0 384.414 5.101 50 30 GKEARN Oc1ccc2ccccc2c1/C=N\c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000017185728 526354848 /nfs/dbraw/zinc/35/48/48/526354848.db2.gz HOGBVHJKILMIRU-MXAYSNPKSA-N 0 0 388.536 6.220 50 30 GKEARN S=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 ZINC000004549424 526383226 /nfs/dbraw/zinc/38/32/26/526383226.db2.gz ZRYVURWFKNYFHR-UDWIEESQSA-N 0 0 387.917 5.405 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000012343702 526389417 /nfs/dbraw/zinc/38/94/17/526389417.db2.gz NSEMICSSQWZYLN-OQLLNIDSSA-N 0 0 396.320 5.641 50 30 GKEARN [N-]=[N+]=Nc1ccc2c(c1)Oc1cc(N=[N+]=[N-])ccc1C21OC(=O)c2ccccc21 ZINC000013477488 526391480 /nfs/dbraw/zinc/39/14/80/526391480.db2.gz GMXYWXQBRJLVPV-UHFFFAOYSA-N 0 0 382.339 6.138 50 30 GKEARN Ic1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)o1 ZINC000103757447 526426194 /nfs/dbraw/zinc/42/61/94/526426194.db2.gz RZSBYAGDXHXXKN-VXLYETTFSA-N 0 0 387.176 5.534 50 30 GKEARN N#CC(Cc1ccccc1F)(Cc1ccccc1F)C(=O)Nc1ccc(F)cc1 ZINC000003360558 526429446 /nfs/dbraw/zinc/42/94/46/526429446.db2.gz UIJMCOYHTZZLQJ-UHFFFAOYSA-N 0 0 394.396 5.038 50 30 GKEARN O=C(ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl)C1CC1 ZINC000001048883 526432861 /nfs/dbraw/zinc/43/28/61/526432861.db2.gz SMWKEVYICMFZQH-UHFFFAOYSA-N 0 0 386.225 5.142 50 30 GKEARN O=C(Oc1ccc(/C=N/c2ccccc2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000001444712 526440679 /nfs/dbraw/zinc/44/06/79/526440679.db2.gz JEOARMADUMMRHJ-PCLIKHOPSA-N 0 0 396.402 5.718 50 30 GKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccccc1F ZINC000013399906 526446910 /nfs/dbraw/zinc/44/69/10/526446910.db2.gz KMSDOXGGXSXPDZ-MOSHPQCFSA-N 0 0 376.408 5.374 50 30 GKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cc2ccccc2o1 ZINC000013306995 526447029 /nfs/dbraw/zinc/44/70/29/526447029.db2.gz RFEYRNJFNKVMPG-HMAPJEAMSA-N 0 0 398.439 5.982 50 30 GKEARN O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccc(Cl)cc1)c1ccco1 ZINC000100397881 526448441 /nfs/dbraw/zinc/44/84/41/526448441.db2.gz KILYDIYOSUANGK-SRZZPIQSSA-N 0 0 382.759 5.151 50 30 GKEARN N#CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000003274053 526451624 /nfs/dbraw/zinc/45/16/24/526451624.db2.gz PBJIFZIRPASOEM-UHFFFAOYSA-N 0 0 383.476 5.524 50 30 GKEARN N#CCCn1cc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)c(-c2ccccc2)n1 ZINC000033466631 526466757 /nfs/dbraw/zinc/46/67/57/526466757.db2.gz QHZPABNRQSBJOL-KHPPLWFESA-N 0 0 395.422 5.091 50 30 GKEARN N#CCCn1cc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)c(-c2ccccc2)n1 ZINC000033527910 526466832 /nfs/dbraw/zinc/46/68/32/526466832.db2.gz XBFMZWHTMFYDRK-QBFSEMIESA-N 0 0 395.422 5.091 50 30 GKEARN N#CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 ZINC000028295982 526478887 /nfs/dbraw/zinc/47/88/87/526478887.db2.gz MNTZSAMDZHGNBB-ACCUITESSA-N 0 0 391.546 5.846 50 30 GKEARN c1ccc(N=NC2CCCC[C@]23C[C@H]2CCCCC2=NN3c2ccccc2)cc1 ZINC000031948279 526480431 /nfs/dbraw/zinc/48/04/31/526480431.db2.gz ZWMBAKDHUIYDKE-TVXJUXJWSA-N 0 0 386.543 6.224 50 30 GKEARN N#C[C@@H](C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000005715508 526490454 /nfs/dbraw/zinc/49/04/54/526490454.db2.gz IHHKPRYLKAUDQK-CQSZACIVSA-N 0 0 395.673 5.242 50 30 GKEARN N#C[C@@H](c1ccc(Cl)cc1Cl)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624509 526496452 /nfs/dbraw/zinc/49/64/52/526496452.db2.gz XSJFRQQBUYAFHC-SFTDATJTSA-N 0 0 394.301 6.657 50 30 GKEARN N#C[C@@H](c1ccccn1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000032099201 526498740 /nfs/dbraw/zinc/49/87/40/526498740.db2.gz WCAXLPSKVMAJSQ-GFCCVEGCSA-N 0 0 381.279 5.323 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2)cs1)c1ccc(F)cc1F ZINC000012760003 526504615 /nfs/dbraw/zinc/50/46/15/526504615.db2.gz SGSUIENACJEFBY-CSKARUKUSA-N 0 0 384.407 5.002 50 30 GKEARN N#C[C@H](c1ccccn1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000032099202 526511099 /nfs/dbraw/zinc/51/10/99/526511099.db2.gz WCAXLPSKVMAJSQ-LBPRGKRZSA-N 0 0 381.279 5.323 50 30 GKEARN O=C(CCc1ccc(-c2ccccc2)o1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000014162132 526584483 /nfs/dbraw/zinc/58/44/83/526584483.db2.gz UTDPFUCHFARAEG-UHFFFAOYSA-N 0 0 397.396 5.066 50 30 GKEARN N#Cc1ccc(C=NNc2ccccc2)nc1SCc1ccc(Cl)cc1 ZINC000004394605 526585250 /nfs/dbraw/zinc/58/52/50/526585250.db2.gz PIYWCDQQMBNKAX-YDZHTSKRSA-N 0 0 378.888 5.345 50 30 GKEARN Cc1nc(/C=C\c2cccc(C#N)c2)sc1C(=O)/C=C\c1cccc(C#N)c1 ZINC000096402176 526627815 /nfs/dbraw/zinc/62/78/15/526627815.db2.gz WFJGFTZVNVGONM-WGEIWTTOSA-N 0 0 381.460 5.261 50 30 GKEARN Cc1nc(/C=C\c2ccc(C#N)cc2)sc1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000096402175 526628114 /nfs/dbraw/zinc/62/81/14/526628114.db2.gz WMJMEHALUHVKRE-FAEGWCMCSA-N 0 0 381.460 5.261 50 30 GKEARN N#Cc1cccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3cccc(C#N)c3)cc2)c1 ZINC000096297956 526696569 /nfs/dbraw/zinc/69/65/69/526696569.db2.gz UBTXMIPXDVKZMO-XSYHWHKQSA-N 0 0 388.426 5.222 50 30 GKEARN N#Cc1nc(-c2ccccc2)oc1N=NCc1cccc(Oc2ccccc2)c1 ZINC000026963288 526785688 /nfs/dbraw/zinc/78/56/88/526785688.db2.gz FXOFJQMJNNBWCU-PCLIKHOPSA-N 0 0 380.407 5.452 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1 ZINC000021157810 526894579 /nfs/dbraw/zinc/89/45/79/526894579.db2.gz MENYBIBCDJLLHL-SFHVURJKSA-N 0 0 395.911 6.107 50 30 GKEARN C=CCOc1ccccc1/C=C\c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000096792181 526922083 /nfs/dbraw/zinc/92/20/83/526922083.db2.gz BHWVRJALKRRZKV-MSUUIHNZSA-N 0 0 380.447 5.121 50 30 GKEARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccc2)cc1 ZINC000013785546 526932318 /nfs/dbraw/zinc/93/23/18/526932318.db2.gz ZXBPLEAAWUZTKJ-JZIGQTSASA-N 0 0 389.911 5.985 50 30 GKEARN O=C1/C(=C/c2c(F)cccc2Cl)CCC/C1=C/c1c(F)cccc1Cl ZINC000033348395 526938018 /nfs/dbraw/zinc/93/80/18/526938018.db2.gz WDCXAVZLNFAYRK-PJABCKPXSA-N 0 0 379.233 6.492 50 30 GKEARN Clc1ccc(CN=Nc2nc3ccccc3nc2C=Cc2cccs2)cc1 ZINC000033384426 526940756 /nfs/dbraw/zinc/94/07/56/526940756.db2.gz GIFYJXNBBNDPBE-KGECZUTASA-N 0 0 390.899 5.961 50 30 GKEARN O=C1/C(=C/c2ccsc2)CN(Cc2ccccc2)C/C1=C\c1ccsc1 ZINC000019818631 526943173 /nfs/dbraw/zinc/94/31/73/526943173.db2.gz CDRLJUFULNRCIK-CLVAPQHMSA-N 0 0 377.534 5.362 50 30 GKEARN O=C1/C(=C/c2ccccc2OC(F)F)CC/C1=C/c1ccccc1OC(F)F ZINC000002307254 526943653 /nfs/dbraw/zinc/94/36/53/526943653.db2.gz YHNLUJGQHPSSDO-UKVBVZPVSA-N 0 0 392.348 5.719 50 30 GKEARN Clc1ccc(CSc2ccc(/N=C/c3cccs3)cc2)cc1Cl ZINC000100391789 526951608 /nfs/dbraw/zinc/95/16/08/526951608.db2.gz NWOWXHIMAXMVMV-SRZZPIQSSA-N 0 0 378.349 7.098 50 30 GKEARN O=C1CS/C(=N\c2cc(Cl)c(Cl)cc2Cl)N1CCc1ccccc1 ZINC000013467641 527015692 /nfs/dbraw/zinc/01/56/92/527015692.db2.gz VFFYLXBGWVTIJL-FXBPSFAMSA-N 0 0 399.730 5.452 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000018142515 527032922 /nfs/dbraw/zinc/03/29/22/527032922.db2.gz MNNYYWDJMGQQHK-CJAUYULYSA-N 0 0 382.463 5.372 50 30 GKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1c(Cl)cccc1Cl ZINC000033908064 527042112 /nfs/dbraw/zinc/04/21/12/527042112.db2.gz VXNBPRRYRHVIRO-ZSOIEALJSA-N 0 0 383.687 5.538 50 30 GKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000033908995 527042919 /nfs/dbraw/zinc/04/29/19/527042919.db2.gz OZOPZPRCGDREAP-WOJGMQOQSA-N 0 0 398.846 5.631 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000013658297 527099030 /nfs/dbraw/zinc/09/90/30/527099030.db2.gz GKGINVAHHXYGRE-ZHZULCJRSA-N 0 0 389.838 5.264 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000013658805 527099048 /nfs/dbraw/zinc/09/90/48/527099048.db2.gz WROZZYFYCZVUFR-RGEXLXHISA-N 0 0 389.838 5.264 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000033921511 527099394 /nfs/dbraw/zinc/09/93/94/527099394.db2.gz MABMOATWALFBKO-XSFVSMFZSA-N 0 0 389.838 5.264 50 30 GKEARN CC(=O)Nc1sc(N=NCc2ccc(C(C)C)cc2)nc1-c1cccs1 ZINC000008739321 527106644 /nfs/dbraw/zinc/10/66/44/527106644.db2.gz PDBFIYVAZOJZMI-RGVLZGJSSA-N 0 0 384.530 5.399 50 30 GKEARN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000006567055 527117853 /nfs/dbraw/zinc/11/78/53/527117853.db2.gz QRPPVVILVWRKMT-CVDCTZTESA-N 0 0 397.503 5.283 50 30 GKEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNc1cccc(Cl)c1 ZINC000100833198 527119860 /nfs/dbraw/zinc/11/98/60/527119860.db2.gz KPONWMRPDPHJMP-KPKJPENVSA-N 0 0 384.060 5.318 50 30 GKEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1c(Cl)cccc1Cl ZINC000013759270 527122362 /nfs/dbraw/zinc/12/23/62/527122362.db2.gz DEGWVGIKIUWQOX-MTJSOVHGSA-N 0 0 397.257 6.189 50 30 GKEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1c(F)cccc1Cl ZINC000013778401 527122994 /nfs/dbraw/zinc/12/29/94/527122994.db2.gz MNQLXRXAWNWWMY-MTJSOVHGSA-N 0 0 380.802 5.674 50 30 GKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000100155780 527132844 /nfs/dbraw/zinc/13/28/44/527132844.db2.gz SGRSGNWYTFGGSC-GOSISDBHSA-N 0 0 395.380 5.007 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000096766957 527134089 /nfs/dbraw/zinc/13/40/89/527134089.db2.gz DONKFICKODECEJ-YAECTWJJSA-N 0 0 381.258 6.393 50 30 GKEARN O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc32)cc1Cl)c1ccco1 ZINC000102417310 527153306 /nfs/dbraw/zinc/15/33/06/527153306.db2.gz VCQKTJXHDKVIKX-ZMOGYAJESA-N 0 0 390.826 5.795 50 30 GKEARN O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Cl)c1ccco1 ZINC000102417318 527154111 /nfs/dbraw/zinc/15/41/11/527154111.db2.gz USJXYWRTFHSORP-UFFVCSGVSA-N 0 0 375.211 5.295 50 30 GKEARN O=S(=O)(N=C(Nc1ccc2ccccc2c1)c1ccccc1)c1ccccc1 ZINC000012378372 527159040 /nfs/dbraw/zinc/15/90/40/527159040.db2.gz ZVYUUCQCLKUWIN-UHFFFAOYSA-N 0 0 386.476 5.087 50 30 GKEARN C#CCn1c(SCc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047481 527177073 /nfs/dbraw/zinc/17/70/73/527177073.db2.gz UGFWWVCACTUEDU-UHFFFAOYSA-N 0 0 398.506 6.282 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)ccc1Cl ZINC000013233901 527325881 /nfs/dbraw/zinc/32/58/81/527325881.db2.gz RNDUQFDPRVPLRK-SSDVNMTOSA-N 0 0 392.802 5.248 50 30 GKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003116997 527330335 /nfs/dbraw/zinc/33/03/35/527330335.db2.gz PDIDVXYVAJRUAG-UHFFFAOYSA-N 0 0 399.237 5.335 50 30 GKEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000100809303 527344196 /nfs/dbraw/zinc/34/41/96/527344196.db2.gz NLQVWVFAENFKJF-MHYSQHLISA-N 0 0 385.448 6.287 50 30 GKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc4ccccc43)cc2)nc1 ZINC000004048017 527359532 /nfs/dbraw/zinc/35/95/32/527359532.db2.gz SFOWSFRAUJGEOT-AFUMVMLFSA-N 0 0 398.422 5.168 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000004359481 527359613 /nfs/dbraw/zinc/35/96/13/527359613.db2.gz QPFNLCIPCHWOKA-LPYMAVHISA-N 0 0 381.819 5.273 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000004819943 527359669 /nfs/dbraw/zinc/35/96/69/527359669.db2.gz QUNPHRGMSDRFJU-ZMOGYAJESA-N 0 0 388.402 5.183 50 30 GKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3c(O)ccc4ccccc43)n2)c1 ZINC000003961708 527383724 /nfs/dbraw/zinc/38/37/24/527383724.db2.gz GCKJJHBTLOYQOC-SRZZPIQSSA-N 0 0 390.424 5.023 50 30 GKEARN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000009264212 527394526 /nfs/dbraw/zinc/39/45/26/527394526.db2.gz SCDXXIXSYNURKT-HSZRJFAPSA-N 0 0 399.450 5.492 50 30 GKEARN O=c1c(C=NNc2nc(-c3ccccc3)cs2)coc2ccc(Cl)cc12 ZINC000068734575 527448708 /nfs/dbraw/zinc/44/87/08/527448708.db2.gz PXYDECRSTWPRFB-ZVBGSRNCSA-N 0 0 381.844 5.016 50 30 GKEARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1cccc(F)c1 ZINC000028049067 527499435 /nfs/dbraw/zinc/49/94/35/527499435.db2.gz HDGSCPGVFMAKIK-UHFFFAOYSA-N 0 0 388.398 5.181 50 30 GKEARN O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2cccc3cccnc23)S1 ZINC000072400642 527514461 /nfs/dbraw/zinc/51/44/61/527514461.db2.gz DWJXFYPFLNRHHO-CHHVJCJISA-N 0 0 385.370 5.384 50 30 GKEARN Cc1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/c1ccc(C)cc1 ZINC000002072609 527550898 /nfs/dbraw/zinc/55/08/98/527550898.db2.gz ANTQZFYDMRSAEH-YZSQISJMSA-N 0 0 397.547 6.699 50 30 GKEARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)c1 ZINC000328594185 527589710 /nfs/dbraw/zinc/58/97/10/527589710.db2.gz XMVUDHCDNUPYKR-MRXNPFEDSA-N 0 0 380.492 5.198 50 30 GKEARN O=C(/C(=C/c1ccccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005071752 527590655 /nfs/dbraw/zinc/59/06/55/527590655.db2.gz MSULKGQDWYLLQY-VKAVYKQESA-N 0 0 390.389 5.588 50 30 GKEARN O=C(/C=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000006346582 527610907 /nfs/dbraw/zinc/61/09/07/527610907.db2.gz RAWCYAWKOAEDET-OQLLNIDSSA-N 0 0 398.462 5.758 50 30 GKEARN O=C(/C=C/c1ccc(OC(=O)Cc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000004118316 527617202 /nfs/dbraw/zinc/61/72/02/527617202.db2.gz BZRFPLJDXCMXMW-OVCLIPMQSA-N 0 0 376.839 5.384 50 30 GKEARN O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000018043153 527630510 /nfs/dbraw/zinc/63/05/10/527630510.db2.gz AIXXTYSNQRMLAS-UUFSLDAJSA-N 0 0 399.421 5.008 50 30 GKEARN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 ZINC000006343935 527633500 /nfs/dbraw/zinc/63/35/00/527633500.db2.gz LUSURHMWGBHVGB-QESAQRRWSA-N 0 0 394.426 5.948 50 30 GKEARN O=C(/C=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccs1 ZINC000015109913 527651787 /nfs/dbraw/zinc/65/17/87/527651787.db2.gz XUWLFTAAJBOJRM-ATVHPVEESA-N 0 0 379.868 5.215 50 30 GKEARN O=C(/C=C\c1ccc(Br)cc1)c1c2ccccc2cc2ccccc21 ZINC000034871654 527654222 /nfs/dbraw/zinc/65/42/22/527654222.db2.gz IYUWZQNGPRTZQW-KAMYIIQDSA-N 0 0 387.276 6.652 50 30 GKEARN O=C(/C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccnc1 ZINC000096766349 527655375 /nfs/dbraw/zinc/65/53/75/527655375.db2.gz IVDXEPITUWEUJD-SDXDJHTJSA-N 0 0 376.459 6.448 50 30 GKEARN FC(F)(F)C(F)(F)C(F)(F)C(Br)(C(F)(F)F)C(F)(F)F ZINC000095707974 527661838 /nfs/dbraw/zinc/66/18/38/527661838.db2.gz LMULIUNHVQIBGA-UHFFFAOYSA-N 0 0 398.944 5.078 50 30 GKEARN CCCCCCCC(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000097940615 528118284 /nfs/dbraw/zinc/11/82/84/528118284.db2.gz ICSVCGBRNPWDAN-UHFFFAOYSA-N 0 0 393.506 5.860 50 30 GKEARN CCCCCCCCCC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000098016577 528122669 /nfs/dbraw/zinc/12/26/69/528122669.db2.gz IHIGZXLAKIHUMX-UHFFFAOYSA-N 0 0 383.536 5.583 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C#N ZINC000097942931 528123591 /nfs/dbraw/zinc/12/35/91/528123591.db2.gz FKQBMGGMLWQIKI-UHFFFAOYSA-N 0 0 378.538 5.574 50 30 GKEARN CCCCCCCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 ZINC000001828999 528136970 /nfs/dbraw/zinc/13/69/70/528136970.db2.gz VRDOFMNMRGLBBT-UHFFFAOYSA-N 0 0 384.570 5.813 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccccc2CC)cc1 ZINC000033096935 528395960 /nfs/dbraw/zinc/39/59/60/528395960.db2.gz FYDBSRMJETXMPE-QJOMJCCJSA-N 0 0 382.577 5.196 50 30 GKEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C(C)C)OC3)cc1 ZINC000002867419 538558511 /nfs/dbraw/zinc/55/85/11/538558511.db2.gz JREQJWHMPMKBQE-LJQANCHMSA-N 0 0 398.528 5.148 50 30 GKEARN FC(F)(F)c1cc(Br)ccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725696 570784772 /nfs/dbraw/zinc/78/47/72/570784772.db2.gz JPNSGAOYTGMRBC-UHFFFAOYSA-N 0 0 391.027 5.340 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000630995 570211694 /nfs/dbraw/zinc/21/16/94/570211694.db2.gz ZWMXPQJDDQYUEK-BVZFJXPGSA-N 0 0 384.454 5.805 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000710792 570219314 /nfs/dbraw/zinc/21/93/14/570219314.db2.gz GAYJOKKVLXARKJ-NPMXOYFQSA-N 0 0 390.483 5.867 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000000729494 570221664 /nfs/dbraw/zinc/22/16/64/570221664.db2.gz WCLSGIZZZLWDOK-XDHUDOTRSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000000729493 570221729 /nfs/dbraw/zinc/22/17/29/570221729.db2.gz WCLSGIZZZLWDOK-MZNJEOGPSA-N 0 0 386.520 6.036 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000815775 570224773 /nfs/dbraw/zinc/22/47/73/570224773.db2.gz RDSXILGVSCBBIY-CMJOXMDJSA-N 0 0 388.492 5.433 50 30 GKEARN CSc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000000816099 570224820 /nfs/dbraw/zinc/22/48/20/570224820.db2.gz UIPZUAMMNLVYON-OAQYLSRUSA-N 0 0 393.508 5.338 50 30 GKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000822850 570225217 /nfs/dbraw/zinc/22/52/17/570225217.db2.gz CJMUZMUSCIZZDD-VWLOTQADSA-N 0 0 383.491 6.158 50 30 GKEARN Cc1c(/N=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000000826105 570225500 /nfs/dbraw/zinc/22/55/00/570225500.db2.gz NDOPNRNVJGFQNL-ZVHZXABRSA-N 0 0 391.858 5.148 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000000883423 570228262 /nfs/dbraw/zinc/22/82/62/570228262.db2.gz DWQCXGIDZWLKIY-ZSEKCTLFSA-N 0 0 378.522 5.789 50 30 GKEARN Cc1[nH]c2ccccc2c1/C=N/c1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1 ZINC000000943141 570230737 /nfs/dbraw/zinc/23/07/37/570230737.db2.gz NZPYYLPFEUETNP-DPCVLPDWSA-N 0 0 390.490 6.767 50 30 GKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2cc3ccccc3o2)cc1C ZINC000000945300 570230754 /nfs/dbraw/zinc/23/07/54/570230754.db2.gz YIIFJLLPSIFLFZ-FTJBHMTQSA-N 0 0 398.458 5.951 50 30 GKEARN C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 ZINC000006071187 570234277 /nfs/dbraw/zinc/23/42/77/570234277.db2.gz PCHTYYCABIMNEQ-UHFFFAOYSA-N 0 0 398.944 5.687 50 30 GKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000004817119 570235401 /nfs/dbraw/zinc/23/54/01/570235401.db2.gz BCRPBQDUNFMYJZ-WQEJZQBCSA-N 0 0 390.468 5.194 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1F ZINC000001025228 570235609 /nfs/dbraw/zinc/23/56/09/570235609.db2.gz QLWOVZVHJSUEKB-UHFFFAOYSA-N 0 0 386.438 5.365 50 30 GKEARN N#CCSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000006080526 570236414 /nfs/dbraw/zinc/23/64/14/570236414.db2.gz LCPZSOUBIAQXLC-UHFFFAOYSA-N 0 0 383.325 5.340 50 30 GKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/OC(=O)c1ccccc1 ZINC000001042470 570237544 /nfs/dbraw/zinc/23/75/44/570237544.db2.gz POTZUXOZDHZERI-UFFVCSGVSA-N 0 0 375.211 5.148 50 30 GKEARN CC(=NOC(=O)Nc1c(C)onc1-c1c(Cl)cccc1Cl)C(C)(C)C ZINC000001042676 570237893 /nfs/dbraw/zinc/23/78/93/570237893.db2.gz CMADMFFVMHWQMY-UFFVCSGVSA-N 0 0 384.263 5.927 50 30 GKEARN CC1CCN(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000051364646 570237997 /nfs/dbraw/zinc/23/79/97/570237997.db2.gz WOOWRAXFFPMBIS-UHFFFAOYSA-N 0 0 398.359 5.361 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001066184 570239807 /nfs/dbraw/zinc/23/98/07/570239807.db2.gz NMFSZHCMHWNBFU-FQEVSTJZSA-N 0 0 399.556 5.228 50 30 GKEARN C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000013030794 570240276 /nfs/dbraw/zinc/24/02/76/570240276.db2.gz HOXNZRRQUTTWSB-UHFFFAOYSA-N 0 0 399.332 5.821 50 30 GKEARN Cc1oc(/N=C/c2cc(Br)c(C)c(Br)c2)c(C#N)c1C ZINC000001093556 570241646 /nfs/dbraw/zinc/24/16/46/570241646.db2.gz BZEANQSGRVJJGH-FBCYGCLPSA-N 0 0 396.082 5.352 50 30 GKEARN Brc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 ZINC000001101703 570242002 /nfs/dbraw/zinc/24/20/02/570242002.db2.gz BZEFDLNOGKMNTD-OEAKJJBVSA-N 0 0 376.257 5.539 50 30 GKEARN N#Cc1c(NC(=O)/C=C\c2c(Cl)cccc2Cl)sc2c1CCCCC2 ZINC000006091525 570242564 /nfs/dbraw/zinc/24/25/64/570242564.db2.gz HOWWKWDFTPHNCB-KTKRTIGZSA-N 0 0 391.323 5.847 50 30 GKEARN CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(=O)ON1C(=O)CCC1=O ZINC000145782014 570246637 /nfs/dbraw/zinc/24/66/37/570246637.db2.gz RUHGNRBGUUGLPD-MDWFQEEDSA-N 0 0 397.515 5.125 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000016713477 570249812 /nfs/dbraw/zinc/24/98/12/570249812.db2.gz JERJTIVENVDZIV-UHFFFAOYSA-N 0 0 388.945 5.258 50 30 GKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC)n2)cc1 ZINC000016729072 570249828 /nfs/dbraw/zinc/24/98/28/570249828.db2.gz STLOWGUOQCBDEZ-UHFFFAOYSA-N 0 0 378.419 5.706 50 30 GKEARN C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002085579 570252448 /nfs/dbraw/zinc/25/24/48/570252448.db2.gz MFNZTBWXRGIBAL-UHFFFAOYSA-N 0 0 396.581 5.432 50 30 GKEARN C=CCc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002117670 570252695 /nfs/dbraw/zinc/25/26/95/570252695.db2.gz OWOUBKIVAKDFSV-UHFFFAOYSA-N 0 0 382.507 5.386 50 30 GKEARN C=C(C)COc1ccccc1/C=C1\N=C(c2ccc(Cl)c(Cl)c2)OC1=O ZINC000002137466 570252723 /nfs/dbraw/zinc/25/27/23/570252723.db2.gz BBCHIORSAQKVDO-YVLHZVERSA-N 0 0 388.250 5.293 50 30 GKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002444057 570253219 /nfs/dbraw/zinc/25/32/19/570253219.db2.gz BYCXUYLZNBJWHD-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c(OC)c1 ZINC000001510024 570253847 /nfs/dbraw/zinc/25/38/47/570253847.db2.gz ALJRTBFGHHFTES-ZVHZXABRSA-N 0 0 388.492 6.040 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1cccs1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001216258 570258626 /nfs/dbraw/zinc/25/86/26/570258626.db2.gz UFPYOCJELMMWDZ-MZNJEOGPSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001308273 570260534 /nfs/dbraw/zinc/26/05/34/570260534.db2.gz LCOBHFFHSIPTID-OAQYLSRUSA-N 0 0 377.444 5.125 50 30 GKEARN CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000100003441 570263763 /nfs/dbraw/zinc/26/37/63/570263763.db2.gz KVKDTXQRPCOZPE-HDICACEKSA-N 0 0 379.475 6.381 50 30 GKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000001814509 570269014 /nfs/dbraw/zinc/26/90/14/570269014.db2.gz GIAJVSBDOKBTML-VULFUBBASA-N 0 0 398.849 6.758 50 30 GKEARN CCCC(N=Nc1nc(-c2cc(OC)ccc2OC)cs1)c1ccccc1 ZINC000043761316 570271692 /nfs/dbraw/zinc/27/16/92/570271692.db2.gz KKNOVZQQRDHGOA-PTGBLXJZSA-N 0 0 381.501 5.444 50 30 GKEARN CCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000002027440 570272461 /nfs/dbraw/zinc/27/24/61/570272461.db2.gz ICDFYCUYPXBXPJ-UHFFFAOYSA-N 0 0 399.332 6.679 50 30 GKEARN Cc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O ZINC000002051977 570272705 /nfs/dbraw/zinc/27/27/05/570272705.db2.gz QEQSMUIBVIDOLQ-BHGWPJFGSA-N 0 0 397.261 6.566 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000002054237 570272873 /nfs/dbraw/zinc/27/28/73/570272873.db2.gz CNWCJNMGCCIWMY-INIZCTEOSA-N 0 0 395.758 5.280 50 30 GKEARN CC(C)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002072273 570273401 /nfs/dbraw/zinc/27/34/01/570273401.db2.gz DZRRVNBGBJZDEK-VWLOTQADSA-N 0 0 383.516 6.677 50 30 GKEARN CCOc1cc(N(CC)CC)ccc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000002079968 570273716 /nfs/dbraw/zinc/27/37/16/570273716.db2.gz ZVTBXIIQEOUYES-BUVRLJJBSA-N 0 0 381.545 5.494 50 30 GKEARN CCCCCCCCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000002082837 570273925 /nfs/dbraw/zinc/27/39/25/570273925.db2.gz KSHXRISEIGRRFI-UHFFFAOYSA-N 0 0 394.584 6.752 50 30 GKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(O)cc3)cc2[N+](=O)[O-])cc1 ZINC000006048638 570275919 /nfs/dbraw/zinc/27/59/19/570275919.db2.gz LCQMVKXTJFXYEE-UUILKARUSA-N 0 0 391.448 5.656 50 30 GKEARN N#Cc1cccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)c1 ZINC000006140630 570276390 /nfs/dbraw/zinc/27/63/90/570276390.db2.gz ISDHDJLXLYTQFU-UHFFFAOYSA-N 0 0 394.569 5.600 50 30 GKEARN CSc1sc(C(=O)C(C#N)=NNc2ccc(Cl)cc2)c2c1C=CCC2 ZINC000002153423 570276429 /nfs/dbraw/zinc/27/64/29/570276429.db2.gz AQDDORURLKPEQE-PXLXIMEGSA-N 0 0 387.917 5.257 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000012249711 570277713 /nfs/dbraw/zinc/27/77/13/570277713.db2.gz HOMKQJKKVZXFPD-UHFFFAOYSA-N 0 0 387.895 6.114 50 30 GKEARN Cc1cc(C)c([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(C)c1 ZINC000002225891 570279724 /nfs/dbraw/zinc/27/97/24/570279724.db2.gz IRYJNMBNWJTBOD-RUZDIDTESA-N 0 0 383.516 6.478 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Cl)c1 ZINC000002308035 570281896 /nfs/dbraw/zinc/28/18/96/570281896.db2.gz JDUHHCKIUDVELJ-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Cl)c1 ZINC000002306334 570281969 /nfs/dbraw/zinc/28/19/69/570281969.db2.gz XOWCCZFXZDVWJI-XMMPIXPASA-N 0 0 387.910 6.803 50 30 GKEARN CCOc1ccccc1[C@H]1Sc2ccccc2N=C2c3ccccc3C(=O)C21 ZINC000002434809 570287034 /nfs/dbraw/zinc/28/70/34/570287034.db2.gz JVSUJLVDKLXPKE-XMMPIXPASA-N 0 0 385.488 5.952 50 30 GKEARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Cl)c2)n(-c2ccc(C#N)cc2)n1 ZINC000023325264 570289565 /nfs/dbraw/zinc/28/95/65/570289565.db2.gz GURWSMCWZDTATN-UHFFFAOYSA-N 0 0 396.853 5.086 50 30 GKEARN Cc1ccc(COc2ccc(/C=N/NC(=S)Nc3cccc(C)c3)cc2)cc1 ZINC000002542635 570290348 /nfs/dbraw/zinc/29/03/48/570290348.db2.gz LSWGMZZPEBTUFO-BUVRLJJBSA-N 0 0 389.524 5.203 50 30 GKEARN S=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1 ZINC000002566391 570290887 /nfs/dbraw/zinc/29/08/87/570290887.db2.gz CIUSZXHYTKGUKP-OEAKJJBVSA-N 0 0 395.915 5.240 50 30 GKEARN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cccc2ccccc21 ZINC000002594520 570291891 /nfs/dbraw/zinc/29/18/91/570291891.db2.gz NJJZWKLVDRBBJT-MFKUBSTISA-N 0 0 396.519 5.725 50 30 GKEARN CCC(C)(C)C1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000004826385 570294729 /nfs/dbraw/zinc/29/47/29/570294729.db2.gz WHRJEIHQAPAHJO-IWGRKNQJSA-N 0 0 380.478 6.847 50 30 GKEARN O=C(Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F)c1cccnc1 ZINC000002679945 570294801 /nfs/dbraw/zinc/29/48/01/570294801.db2.gz XCNYAAYLKJHEOM-UHFFFAOYSA-N 0 0 398.303 5.216 50 30 GKEARN CCOc1ccccc1/C=C1\CC(CC)C/C(=C\c2ccccc2OCC)C1=O ZINC000004826656 570295293 /nfs/dbraw/zinc/29/52/93/570295293.db2.gz PNYZWLMDMSJFLK-SKWBHROBSA-N 0 0 390.523 6.340 50 30 GKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004828777 570295509 /nfs/dbraw/zinc/29/55/09/570295509.db2.gz BWFJILOSEIKYSX-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000004828763 570295639 /nfs/dbraw/zinc/29/56/39/570295639.db2.gz VEULYQYXBVVKGY-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1 ZINC000000705527 570296212 /nfs/dbraw/zinc/29/62/12/570296212.db2.gz YZQYTWDVXHSQKB-ZMOGYAJESA-N 0 0 391.858 5.670 50 30 GKEARN C=CCn1c2ccccc2nc1SCc1cc(-c2ccccc2OC)no1 ZINC000024982002 570304154 /nfs/dbraw/zinc/30/41/54/570304154.db2.gz AUJIQNDEAJZRDR-UHFFFAOYSA-N 0 0 377.469 5.178 50 30 GKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(CC)cc2)C1=O ZINC000002814129 570304432 /nfs/dbraw/zinc/30/44/32/570304432.db2.gz XPCKYNZBOCTIDL-RGEXLXHISA-N 0 0 393.508 5.101 50 30 GKEARN CC(C)(C)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002847729 570308023 /nfs/dbraw/zinc/30/80/23/570308023.db2.gz SCBCHAMADMBIGJ-VWLOTQADSA-N 0 0 397.543 6.851 50 30 GKEARN COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccs1 ZINC000004833595 570309354 /nfs/dbraw/zinc/30/93/54/570309354.db2.gz GLOFGXXZCUPOJU-CSKARUKUSA-N 0 0 398.867 5.525 50 30 GKEARN C/C(=N\N=C(/C)c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O ZINC000006021334 570311461 /nfs/dbraw/zinc/31/14/61/570311461.db2.gz MSYBPFLAZQBAMX-RYQLWAFASA-N 0 0 380.532 5.926 50 30 GKEARN C=CCSc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012937112 570312157 /nfs/dbraw/zinc/31/21/57/570312157.db2.gz DIQAABHSSDHHGY-UHFFFAOYSA-N 0 0 375.497 5.280 50 30 GKEARN Cc1cc(NC=CC(=O)c2ccc(Cl)cc2Cl)ccc1Br ZINC000002902460 570317879 /nfs/dbraw/zinc/31/78/79/570317879.db2.gz VNWPPQTWURTOSZ-VOTSOKGWSA-N 0 0 385.088 5.873 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000006187052 570318251 /nfs/dbraw/zinc/31/82/51/570318251.db2.gz ZTYCETUUXNPMDN-OAQYLSRUSA-N 0 0 395.474 5.293 50 30 GKEARN Cc1ccc2[nH]c(-c3cc(N=Cc4ccc(Cl)cc4Cl)ccc3O)nc2c1 ZINC000003112956 570319222 /nfs/dbraw/zinc/31/92/22/570319222.db2.gz BZKOVINPQKXWNG-BHGWPJFGSA-N 0 0 396.277 6.301 50 30 GKEARN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1cccc(C)c1 ZINC000584905958 570319430 /nfs/dbraw/zinc/31/94/30/570319430.db2.gz PVFZXFLNIMDCNK-UHFFFAOYSA-N 0 0 375.324 6.250 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCCOC1CCCCC1 ZINC000026217528 570322333 /nfs/dbraw/zinc/32/23/33/570322333.db2.gz KDKUKOXXKYIABS-UHFFFAOYSA-N 0 0 394.540 5.179 50 30 GKEARN O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccccc1 ZINC000002992609 570323999 /nfs/dbraw/zinc/32/39/99/570323999.db2.gz SFZYIUHZRCXCII-UHFFFAOYSA-N 0 0 395.274 5.237 50 30 GKEARN C=CCOc1ccccc1-c1nc2ccc(-c3cc(C)c(OC)c(C)c3)cc2o1 ZINC000023445033 570324327 /nfs/dbraw/zinc/32/43/27/570324327.db2.gz DZGLLBGTGWMPAN-UHFFFAOYSA-N 0 0 385.463 6.352 50 30 GKEARN C=CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000002996867 570324575 /nfs/dbraw/zinc/32/45/75/570324575.db2.gz LMIDWFFVIDSEBM-UHFFFAOYSA-N 0 0 384.859 5.033 50 30 GKEARN C(=NNC(=Nc1ccccc1)c1nc2ccccc2s1)c1c[nH]c2ccccc12 ZINC000002999375 570325482 /nfs/dbraw/zinc/32/54/82/570325482.db2.gz PFXODJMBHSLIGD-MFKUBSTISA-N 0 0 395.491 5.670 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(=O)S1 ZINC000003003067 570325806 /nfs/dbraw/zinc/32/58/06/570325806.db2.gz LVJDNOVBRVSRNH-VBKFSLOCSA-N 0 0 399.493 5.013 50 30 GKEARN CC(C)(C)c1csc(-c2ccc(C=NOC(=O)Nc3ccccc3)cc2)n1 ZINC000003046360 570326810 /nfs/dbraw/zinc/32/68/10/570326810.db2.gz YQVZXQQMVDKQGF-LPYMAVHISA-N 0 0 379.485 5.690 50 30 GKEARN O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000003042460 570326992 /nfs/dbraw/zinc/32/69/92/570326992.db2.gz SBSKSTQHTXZDJK-UHFFFAOYSA-N 0 0 375.427 5.943 50 30 GKEARN O=C1c2ccccc2C2=C1C(c1cccc(Cl)c1)C1=C(O2)c2ccccc2C1=O ZINC000003062886 570327151 /nfs/dbraw/zinc/32/71/51/570327151.db2.gz CRRWIQPHEHTAKI-UHFFFAOYSA-N 0 0 396.829 5.669 50 30 GKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000003113157 570327342 /nfs/dbraw/zinc/32/73/42/570327342.db2.gz IWJJWPATVHHGBV-FOKLQQMPSA-N 0 0 383.234 6.258 50 30 GKEARN O=C(/C=C/Sc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC000003120352 570329320 /nfs/dbraw/zinc/32/93/20/570329320.db2.gz VDGZQMHUBXVFIJ-BQYQJAHWSA-N 0 0 388.113 6.245 50 30 GKEARN CCCCCCCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C ZINC000003121706 570329322 /nfs/dbraw/zinc/32/93/22/570329322.db2.gz YYOCROVHZSOZKJ-OFNKIYASSA-N 0 0 378.560 6.716 50 30 GKEARN CCCCCCCc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000003128749 570329684 /nfs/dbraw/zinc/32/96/84/570329684.db2.gz XXLWXLIIRPXZEW-UHFFFAOYSA-N 0 0 378.438 6.862 50 30 GKEARN CC(C)(C)c1csc(-c2ccc(/C=N/OC(=O)c3ccccc3Cl)cc2)n1 ZINC000003138483 570330337 /nfs/dbraw/zinc/33/03/37/570330337.db2.gz ASOVQOOXWBPZLO-FSJBWODESA-N 0 0 398.915 5.952 50 30 GKEARN CC1(C)CC(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C(=O)C1 ZINC000003145498 570330626 /nfs/dbraw/zinc/33/06/26/570330626.db2.gz ACDGSVRYBAJMES-UHFFFAOYSA-N 0 0 396.792 5.960 50 30 GKEARN CCCCCCCCCCCCSc1ncnc2sc3c(c21)CCCC3 ZINC000003146377 570330789 /nfs/dbraw/zinc/33/07/89/570330789.db2.gz HPPJTWICJHQPNQ-UHFFFAOYSA-N 0 0 390.662 7.583 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4c(O)ccc5ccccc54)cc3)oc2c1 ZINC000003162589 570331099 /nfs/dbraw/zinc/33/10/99/570331099.db2.gz MQOGMNHUEWWPDJ-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000003666973 570350056 /nfs/dbraw/zinc/35/00/56/570350056.db2.gz WPRPOAYTWGIHIJ-BKUYFWCQSA-N 0 0 378.880 6.249 50 30 GKEARN CN(/N=C/c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000004863161 570350571 /nfs/dbraw/zinc/35/05/71/570350571.db2.gz DPDARTLLDLDRAS-LFVJCYFKSA-N 0 0 385.492 6.073 50 30 GKEARN Clc1ccc(C=NNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000004878328 570353661 /nfs/dbraw/zinc/35/36/61/570353661.db2.gz NNRFJOQZAIZKCG-ZVHZXABRSA-N 0 0 398.857 5.044 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1C(F)(F)F ZINC000004004707 570354276 /nfs/dbraw/zinc/35/42/76/570354276.db2.gz GUOBSFMECVXLAJ-HXUWFJFHSA-N 0 0 386.417 5.927 50 30 GKEARN N#CCSc1sc(C#N)c(NC(=O)Cc2ccccc2)c1-c1ccccc1 ZINC000004014222 570354612 /nfs/dbraw/zinc/35/46/12/570354612.db2.gz QDMPSMVTOCCVGU-UHFFFAOYSA-N 0 0 389.505 5.084 50 30 GKEARN C=CCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004883096 570355919 /nfs/dbraw/zinc/35/59/19/570355919.db2.gz PFHBYVSLGAFCKZ-XNTDXEJSSA-N 0 0 378.881 5.204 50 30 GKEARN C=CCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004882975 570355973 /nfs/dbraw/zinc/35/59/73/570355973.db2.gz JDQDQXGYNMGYGH-PTNGSMBKSA-N 0 0 390.917 5.073 50 30 GKEARN CCc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004066023 570356382 /nfs/dbraw/zinc/35/63/82/570356382.db2.gz WADXECQUQHAXAC-HSZRJFAPSA-N 0 0 393.527 5.093 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000006273022 570356507 /nfs/dbraw/zinc/35/65/07/570356507.db2.gz SVEHVNVCXDKNFH-KRWDZBQOSA-N 0 0 380.557 5.732 50 30 GKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O ZINC000004889305 570356501 /nfs/dbraw/zinc/35/65/01/570356501.db2.gz QLLCMZWNKQTBTK-DZRHBTRISA-N 0 0 393.556 5.328 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000004074979 570356582 /nfs/dbraw/zinc/35/65/82/570356582.db2.gz TTXPQQKLSIZVJF-VOIUYBSRSA-N 0 0 386.451 5.268 50 30 GKEARN CC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000004898495 570358258 /nfs/dbraw/zinc/35/82/58/570358258.db2.gz ANHBODYUXROSCJ-ARGSHCIWSA-N 0 0 387.508 5.084 50 30 GKEARN COc1ccc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 ZINC000004898658 570358674 /nfs/dbraw/zinc/35/86/74/570358674.db2.gz SSJLHXSXPBJFGF-XMHGGMMESA-N 0 0 389.838 5.913 50 30 GKEARN Cc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000004897724 570359157 /nfs/dbraw/zinc/35/91/57/570359157.db2.gz RAJKYBNEGWVZIJ-XMHGGMMESA-N 0 0 384.391 5.468 50 30 GKEARN Brc1ccc(-c2csc(/N=C/c3ccc4c(c3)OCO4)n2)cc1 ZINC000004179001 570361624 /nfs/dbraw/zinc/36/16/24/570361624.db2.gz YFZCUKWTCQXUNC-UFWORHAWSA-N 0 0 387.258 5.052 50 30 GKEARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=C/c5ccccc5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118912732 570366374 /nfs/dbraw/zinc/36/63/74/570366374.db2.gz OITODJOSGZOWPD-LSLPVSDSSA-N 0 0 392.583 6.043 50 30 GKEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000118915848 570367363 /nfs/dbraw/zinc/36/73/63/570367363.db2.gz ABPLWVLRVBSYHB-VRUTXCIDSA-N 0 0 397.002 7.335 50 30 GKEARN CCn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118928029 570368598 /nfs/dbraw/zinc/36/85/98/570368598.db2.gz LWLNXMRZXSNPHH-WGNSLWEOSA-N 0 0 380.576 5.898 50 30 GKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1OC ZINC000000817955 570369490 /nfs/dbraw/zinc/36/94/90/570369490.db2.gz NYGJHZGWSJVISO-VWLOTQADSA-N 0 0 385.463 5.530 50 30 biogenic GKEARN C#CCSc1nc(C)c(/N=N/c2cc(Cl)cc(Cl)c2)c(C)c1C#N ZINC000004365764 570371173 /nfs/dbraw/zinc/37/11/73/570371173.db2.gz ZZCHSAQPBZVBAB-GHVJWSGMSA-N 0 0 375.284 6.018 50 30 GKEARN Fc1ccc(NN=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000004390388 570373134 /nfs/dbraw/zinc/37/31/34/570373134.db2.gz INEKVJBCTQYZOB-YSURURNPSA-N 0 0 382.744 6.204 50 30 GKEARN C/C(=C\c1ccccc1)[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000004475013 570376544 /nfs/dbraw/zinc/37/65/44/570376544.db2.gz QRYIBCSUDTYKPZ-QSRNJPNHSA-N 0 0 393.530 6.880 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccco1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004948414 570379405 /nfs/dbraw/zinc/37/94/05/570379405.db2.gz KNLAMGXQWHZMLW-QFIPXVFZSA-N 0 0 387.483 5.283 50 30 GKEARN Cc1ccc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3NC3=C2C(=O)CCC3)o1 ZINC000004948551 570379477 /nfs/dbraw/zinc/37/94/77/570379477.db2.gz MQTRBUFBLCVKKZ-OAQYLSRUSA-N 0 0 393.874 5.300 50 30 GKEARN CC(C)(C)c1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O ZINC000004530959 570382239 /nfs/dbraw/zinc/38/22/39/570382239.db2.gz RQCFLZRSZPRZCJ-GHXNOFRVSA-N 0 0 381.472 5.792 50 30 GKEARN O=C(/C=C\c1ccccc1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000004531180 570382498 /nfs/dbraw/zinc/38/24/98/570382498.db2.gz FYOQQQWDDUOFAL-KAMYIIQDSA-N 0 0 385.850 5.745 50 30 GKEARN CC1C/C(=C\c2ccc3ccccc3c2)C(=O)/C(=C/c2ccc3ccccc3c2)C1 ZINC000004547271 570383355 /nfs/dbraw/zinc/38/33/55/570383355.db2.gz OKDSVACEMGNXQC-UKOHILRMSA-N 0 0 388.510 7.459 50 30 GKEARN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Cl ZINC000004545783 570383358 /nfs/dbraw/zinc/38/33/58/570383358.db2.gz GXIFCQILLXOKNT-RNEAKCBISA-N 0 0 386.904 5.409 50 30 GKEARN CC(C)(C)C1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000004547733 570383362 /nfs/dbraw/zinc/38/33/62/570383362.db2.gz WPNOEKXQCHCHPF-KLCVKJMQSA-N 0 0 399.361 7.486 50 30 GKEARN CC(C)(C)C1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 ZINC000004547723 570383447 /nfs/dbraw/zinc/38/34/47/570383447.db2.gz URPRDKNLDCYRPM-KLCVKJMQSA-N 0 0 399.361 7.486 50 30 GKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000004550155 570383604 /nfs/dbraw/zinc/38/36/04/570383604.db2.gz XKARAJRSGYUTGF-VWLOTQADSA-N 0 0 388.511 5.692 50 30 GKEARN COc1cc(OC)c(/C=N/c2cc(Cl)cc(Cl)c2)cc1Br ZINC000004551190 570383683 /nfs/dbraw/zinc/38/36/83/570383683.db2.gz QVLHWSTWJPHIGH-UFWORHAWSA-N 0 0 389.076 5.524 50 30 GKEARN N#Cc1cccc(CSc2nnc(Nc3ccccc3)n2-c2ccccc2)c1 ZINC000004978644 570385894 /nfs/dbraw/zinc/38/58/94/570385894.db2.gz AGEOHMMRAHZSCG-UHFFFAOYSA-N 0 0 383.480 5.175 50 30 GKEARN Clc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)o1 ZINC000004595243 570386730 /nfs/dbraw/zinc/38/67/30/570386730.db2.gz CHAALQARKBBWSV-SSDVNMTOSA-N 0 0 383.238 5.643 50 30 GKEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000004973886 570386928 /nfs/dbraw/zinc/38/69/28/570386928.db2.gz OHQOLFYVGAZDOH-VOSQQLOXSA-N 0 0 399.947 5.283 50 30 GKEARN Cc1cccc(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000004614363 570387685 /nfs/dbraw/zinc/38/76/85/570387685.db2.gz KCKNGSCKVIZNTF-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000135743797 570388314 /nfs/dbraw/zinc/38/83/14/570388314.db2.gz AGNGGBVHXRJUQV-NQIIRXRSSA-N 0 0 393.531 5.659 50 30 GKEARN CSc1ccc([C@H]2c3c(C)nn(C(C)(C)C)c3NC3=C2C(=O)CCC3)cc1 ZINC000004979875 570388573 /nfs/dbraw/zinc/38/85/73/570388573.db2.gz GZUNOPLXDJFHMZ-IBGZPJMESA-N 0 0 381.545 5.233 50 30 GKEARN Cc1ccc([C@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CCC3)s1 ZINC000004979967 570388598 /nfs/dbraw/zinc/38/85/98/570388598.db2.gz BZJKYTMNHPHWAK-NRFANRHFSA-N 0 0 393.487 5.254 50 30 GKEARN CC[C@@H](C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004629398 570388722 /nfs/dbraw/zinc/38/87/22/570388722.db2.gz BAGZFKRJSDUEGI-GYCJOSAFSA-N 0 0 390.527 6.086 50 30 GKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004632172 570389115 /nfs/dbraw/zinc/38/91/15/570389115.db2.gz WCTQWIODOGMFPF-HSZRJFAPSA-N 0 0 395.462 5.217 50 30 GKEARN COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)c2ccccc12 ZINC000004660084 570390395 /nfs/dbraw/zinc/39/03/95/570390395.db2.gz QVRSMYZYUPGURZ-ODLFYWEKSA-N 0 0 394.883 5.393 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004665057 570391229 /nfs/dbraw/zinc/39/12/29/570391229.db2.gz PBCGZUSOGHOXAP-JOCHJYFZSA-N 0 0 383.495 5.381 50 30 GKEARN CCOC(=O)c1ccc2c(c1)CC/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000004709807 570396741 /nfs/dbraw/zinc/39/67/41/570396741.db2.gz UQIRXMWTNQRSBY-GXDHUFHOSA-N 0 0 375.251 5.383 50 30 GKEARN FC(F)(F)c1cc(NN=C2CCSc3sccc32)cc(C(F)(F)F)c1 ZINC000004709730 570396904 /nfs/dbraw/zinc/39/69/04/570396904.db2.gz BQNISEZITOGSCT-FMCGGJTJSA-N 0 0 396.381 6.098 50 30 GKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005021083 570398255 /nfs/dbraw/zinc/39/82/55/570398255.db2.gz AZOUAMLUASPWAB-HSZRJFAPSA-N 0 0 397.522 5.690 50 30 GKEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000002873773 570400779 /nfs/dbraw/zinc/40/07/79/570400779.db2.gz NESFOJHHIWLQKZ-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN CC(C)(C)c1ccc(/C=C2\CCC/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000006363956 570401842 /nfs/dbraw/zinc/40/18/42/570401842.db2.gz YMZSPONKQSNRRU-URMAKSPSSA-N 0 0 386.579 7.502 50 30 GKEARN N#Cc1ccc(-c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000006372310 570402747 /nfs/dbraw/zinc/40/27/47/570402747.db2.gz QPLKBJKTXCWGGU-UHFFFAOYSA-N 0 0 389.454 5.963 50 30 GKEARN CCOC(=O)c1c(C)nc2c(c1-c1ccccc1Cl)/C(=N/O)CC(C)(C)C2 ZINC000004754521 570402962 /nfs/dbraw/zinc/40/29/62/570402962.db2.gz CGWSYHYGGIMELZ-LFVJCYFKSA-N 0 0 386.879 5.038 50 30 GKEARN CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004759484 570404182 /nfs/dbraw/zinc/40/41/82/570404182.db2.gz PUOIIBXWKSTTTO-DEOSSOPVSA-N 0 0 390.527 6.087 50 30 GKEARN CC(C)c1cc(Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000005050412 570405630 /nfs/dbraw/zinc/40/56/30/570405630.db2.gz LUSXBNGHVDJWSM-UHFFFAOYSA-N 0 0 395.293 6.533 50 30 GKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000004806619 570406310 /nfs/dbraw/zinc/40/63/10/570406310.db2.gz WOBJBWXQXPUCDR-DTQAZKPQSA-N 0 0 398.893 6.397 50 30 GKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000004808746 570406756 /nfs/dbraw/zinc/40/67/56/570406756.db2.gz FANXYZWBGOSSRG-JLHYYAGUSA-N 0 0 390.895 6.150 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000004832920 570409430 /nfs/dbraw/zinc/40/94/30/570409430.db2.gz IDRPMEMPDBTVTR-FPOVZHCZSA-N 0 0 387.523 5.297 50 30 GKEARN Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000004832922 570409451 /nfs/dbraw/zinc/40/94/51/570409451.db2.gz IDRPMEMPDBTVTR-PZJWPPBQSA-N 0 0 387.523 5.297 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000004832285 570409487 /nfs/dbraw/zinc/40/94/87/570409487.db2.gz BVEYLUKYPQYSDE-PKNBQFBNSA-N 0 0 398.212 5.513 50 30 GKEARN Cc1ccc(SCC(=O)Nc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 ZINC000004865432 570413360 /nfs/dbraw/zinc/41/33/60/570413360.db2.gz ZJQLAYGDYRQLIO-LFIBNONCSA-N 0 0 387.504 5.622 50 30 GKEARN O=C(/C=C/c1ccc(NC(=O)COc2ccccc2Cl)cc1)c1ccccc1 ZINC000004865506 570413385 /nfs/dbraw/zinc/41/33/85/570413385.db2.gz SJMRCFGMJYOQLH-NTCAYCPXSA-N 0 0 391.854 5.254 50 30 GKEARN C=C(C)CSc1nc2c(c(=O)[nH]1)[C@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000005093644 570415851 /nfs/dbraw/zinc/41/58/51/570415851.db2.gz RWILDBCFHCQHIZ-DEOSSOPVSA-N 0 0 394.584 5.889 50 30 GKEARN O=C(/C=C/c1cccs1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000004954628 570419853 /nfs/dbraw/zinc/41/98/53/570419853.db2.gz DGPFTQCVOYNWGE-PKNBQFBNSA-N 0 0 391.879 5.806 50 30 GKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccnc1 ZINC000004973546 570420414 /nfs/dbraw/zinc/42/04/14/570420414.db2.gz OKTWOJXQQNOQNT-NSYGIPOTSA-N 0 0 397.478 5.070 50 30 GKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000004973592 570420653 /nfs/dbraw/zinc/42/06/53/570420653.db2.gz UMIYXWUXIGYUBO-CRICUBBOSA-N 0 0 399.494 5.325 50 30 GKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004973594 570420686 /nfs/dbraw/zinc/42/06/86/570420686.db2.gz ZTSCBIDDEVDIAB-FATZIPQQSA-N 0 0 390.870 5.913 50 30 GKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)c1 ZINC000004973604 570420688 /nfs/dbraw/zinc/42/06/88/570420688.db2.gz BOFLPTBJGFKEOZ-VOIUYBSRSA-N 0 0 386.451 5.268 50 30 GKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)c1 ZINC000004973555 570420757 /nfs/dbraw/zinc/42/07/57/570420757.db2.gz MFAWMWGIMDIRIC-BVZFJXPGSA-N 0 0 397.478 5.070 50 30 GKEARN Cc1ccc(N2C(=S)N=C(Nc3ccccc3C)[C@@]2(C)Cc2ccccc2)cc1 ZINC000005127365 570422011 /nfs/dbraw/zinc/42/20/11/570422011.db2.gz IWRXEEJDEGBYJA-RUZDIDTESA-N 0 0 399.563 5.730 50 30 GKEARN Oc1c(C=NNc2cccc3cccnc32)cc(Br)c2ccccc12 ZINC000004991601 570422147 /nfs/dbraw/zinc/42/21/47/570422147.db2.gz PVILWCKADSZELS-FSJBWODESA-N 0 0 392.256 5.302 50 30 GKEARN O=C1C(Cl)=C(Cl)C(=NSc2ccc(Cl)cc2)C(Cl)=C1Cl ZINC000001782850 570423874 /nfs/dbraw/zinc/42/38/74/570423874.db2.gz DIEGCWMXKLSNSP-UHFFFAOYSA-N 0 0 387.502 5.749 50 30 GKEARN Cc1nc2cc(/C=C/C(=O)c3nc4ccccc4s3)ccc2n1-c1ccccc1 ZINC000005019311 570424298 /nfs/dbraw/zinc/42/42/98/570424298.db2.gz DMANDYDRGHLCQO-WYMLVPIESA-N 0 0 395.487 5.840 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000005024791 570424580 /nfs/dbraw/zinc/42/45/80/570424580.db2.gz KZEMHAYHFISAOW-ZBLYBZFDSA-N 0 0 394.518 6.283 50 30 GKEARN O=C(Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1 ZINC000001792932 570424950 /nfs/dbraw/zinc/42/49/50/570424950.db2.gz SVFUQAWCYCGOQN-UHFFFAOYSA-N 0 0 398.303 5.216 50 30 GKEARN COc1ccccc1/C=C/C=C(/C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000001802925 570425791 /nfs/dbraw/zinc/42/57/91/570425791.db2.gz ODQJZEPSVPREGJ-UFNFAHRUSA-N 0 0 381.431 5.816 50 30 GKEARN Cc1ccc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)o1 ZINC000005091673 570428603 /nfs/dbraw/zinc/42/86/03/570428603.db2.gz CFLBRKUCPQYQPK-CJAUYULYSA-N 0 0 384.479 5.876 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000005090766 570428622 /nfs/dbraw/zinc/42/86/22/570428622.db2.gz BUBOLLTWIXGDEY-BCHFMIIMSA-N 0 0 396.490 5.680 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 ZINC000005137204 570430425 /nfs/dbraw/zinc/43/04/25/570430425.db2.gz GBAAEFXMKIWZKF-NSYGIPOTSA-N 0 0 397.478 5.070 50 30 GKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000005175449 570430802 /nfs/dbraw/zinc/43/08/02/570430802.db2.gz DUJNPJXXGCYMNT-HSZRJFAPSA-N 0 0 392.499 5.469 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000005175588 570430805 /nfs/dbraw/zinc/43/08/05/570430805.db2.gz IXNQOUFNDHVYJK-JOCHJYFZSA-N 0 0 394.902 5.503 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000005218507 570431790 /nfs/dbraw/zinc/43/17/90/570431790.db2.gz RHZHUVHAOMPSGO-NRFANRHFSA-N 0 0 384.882 6.009 50 30 GKEARN CO/N=C/C(=NNc1ccc(C)c(C)c1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000005218380 570431870 /nfs/dbraw/zinc/43/18/70/570431870.db2.gz AFPNPWYOQBRKPC-QMNJNBOZSA-N 0 0 385.467 5.253 50 30 GKEARN O=C1C=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccccc2)C1 ZINC000005279699 570433299 /nfs/dbraw/zinc/43/32/99/570433299.db2.gz RNFZMHBWUSAAMB-CYBMUJFWSA-N 0 0 399.334 6.167 50 30 GKEARN Cc1ccc(C)c(/N=C/c2c3c(cc(C(C)(C)C)c2O)oc2c3CCCC2)c1 ZINC000001815720 570436177 /nfs/dbraw/zinc/43/61/77/570436177.db2.gz KKEGJHWIFXRUBC-VULFUBBASA-N 0 0 375.512 6.682 50 30 GKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000001878410 570438354 /nfs/dbraw/zinc/43/83/54/570438354.db2.gz NFORBZZGROVSLC-FOKLQQMPSA-N 0 0 383.234 6.258 50 30 GKEARN CCOC(OCC)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000005474575 570441308 /nfs/dbraw/zinc/44/13/08/570441308.db2.gz WCXYSVFDQJVARV-VGOFMYFVSA-N 0 0 389.289 5.417 50 30 GKEARN Cc1nn(-c2ccccc2)c(/N=C/c2cn(C)c3ccccc23)c1-c1ccccc1 ZINC000005530080 570444428 /nfs/dbraw/zinc/44/44/28/570444428.db2.gz PENSUWIFMYVKOE-WPWMEQJKSA-N 0 0 390.490 6.090 50 30 GKEARN C(=N/N(Cc1ccccc1)c1ccccc1)\c1c2ccccc2cc2ccccc21 ZINC000006475020 570445887 /nfs/dbraw/zinc/44/58/87/570445887.db2.gz RJWVCYRTFFOCDP-ZTKZIYFRSA-N 0 0 386.498 7.034 50 30 GKEARN CCC1C/C(=C\c2c(C)cc(C)cc2C)C(=O)/C(=C/c2c(C)cc(C)cc2C)C1 ZINC000006480580 570447827 /nfs/dbraw/zinc/44/78/27/570447827.db2.gz RHPIHDULCBCKHD-FEZYOMQXSA-N 0 0 386.579 7.393 50 30 GKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 ZINC000005595809 570448327 /nfs/dbraw/zinc/44/83/27/570448327.db2.gz QVYLNTRNTNXHGH-QFIPXVFZSA-N 0 0 383.447 5.086 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccn4)c3c2C1 ZINC000005614597 570449091 /nfs/dbraw/zinc/44/90/91/570449091.db2.gz GDKLXWFRLSVLEU-DSKMXOTJSA-N 0 0 379.533 5.073 50 30 GKEARN CCCCCCCCOc1ccc(/C=N/c2ccc3nc(C)sc3c2)cc1 ZINC000001953598 570450953 /nfs/dbraw/zinc/45/09/53/570450953.db2.gz BDLSDGPXFZEQTE-JJIBRWJFSA-N 0 0 380.557 7.095 50 30 GKEARN Clc1ccccc1/C=C/C=N/c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000001955859 570450975 /nfs/dbraw/zinc/45/09/75/570450975.db2.gz GFGIDVTXNBLXRJ-NAHLOZMDSA-N 0 0 393.273 7.217 50 30 GKEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)c1 ZINC000005690090 570451743 /nfs/dbraw/zinc/45/17/43/570451743.db2.gz ALJFHBYKSLBVFI-HOCVSBDUSA-N 0 0 398.919 5.135 50 30 GKEARN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000005705092 570451834 /nfs/dbraw/zinc/45/18/34/570451834.db2.gz WLZDPJYMTBREJS-KEBDBYFISA-N 0 0 398.831 5.564 50 30 GKEARN CC(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000005690139 570451850 /nfs/dbraw/zinc/45/18/50/570451850.db2.gz LSTAFZNYHVLUKT-UFFVCSGVSA-N 0 0 391.327 5.546 50 30 GKEARN N#Cc1ccccc1CSCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000006508887 570461589 /nfs/dbraw/zinc/46/15/89/570461589.db2.gz QVVOQCHCILEZLN-UHFFFAOYSA-N 0 0 386.520 5.020 50 30 GKEARN Cc1cccc2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc54)c3)nc21 ZINC000003114276 570462910 /nfs/dbraw/zinc/46/29/10/570462910.db2.gz UZPUWZDACVJTBS-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN C[C@@H](C#N)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(F)cc1 ZINC000006058493 570465358 /nfs/dbraw/zinc/46/53/58/570465358.db2.gz VLJTYITVMGWZEF-XOAFGZPJSA-N 0 0 386.426 5.320 50 30 GKEARN Cc1n[nH]c(=S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000006056446 570465451 /nfs/dbraw/zinc/46/54/51/570465451.db2.gz TWRNJZSYIBSWDW-AWQFTUOYSA-N 0 0 393.299 5.017 50 30 GKEARN CN1c2ccccc2C(C)(C)/C1=C/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000006179417 570470595 /nfs/dbraw/zinc/47/05/95/570470595.db2.gz DQLVHVUHTFALSL-VTRIOTMOSA-N 0 0 377.491 5.802 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC=Cc1ccccc1 ZINC000006228021 570472518 /nfs/dbraw/zinc/47/25/18/570472518.db2.gz CMPZRKCMQAFYNY-KCHOUBKZSA-N 0 0 375.284 5.088 50 30 GKEARN CCCCCCc1cc2cc(C(=O)/C=C/c3ccccc3)c(=O)oc2cc1O ZINC000005165096 570478456 /nfs/dbraw/zinc/47/84/56/570478456.db2.gz ZLBPBHGOEHPYPV-OUKQBFOZSA-N 0 0 376.452 5.518 50 30 GKEARN COc1ccc(C2=NN(c3ccc(/C=C/C(=O)c4ccccc4)cc3)CC2)cc1 ZINC000005165275 570479139 /nfs/dbraw/zinc/47/91/39/570479139.db2.gz QFALBSRUDFJHOY-CXUHLZMHSA-N 0 0 382.463 5.206 50 30 GKEARN N#Cc1ccc(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc1 ZINC000006590202 570486991 /nfs/dbraw/zinc/48/69/91/570486991.db2.gz FVIYIVDYCQVIOQ-UHFFFAOYSA-N 0 0 390.508 5.404 50 30 GKEARN COc1ccc2ccccc2c1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004757852 570497770 /nfs/dbraw/zinc/49/77/70/570497770.db2.gz GYEXNDKGUFNXPL-VWLOTQADSA-N 0 0 398.506 6.070 50 30 GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000005185906 570497933 /nfs/dbraw/zinc/49/79/33/570497933.db2.gz QVCYBHYHDUQBRV-GRSHGNNSSA-N 0 0 375.251 5.955 50 30 GKEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000030851994 570498498 /nfs/dbraw/zinc/49/84/98/570498498.db2.gz OWXIFFAXRRVZLT-HJWRWDBZSA-N 0 0 391.254 5.103 50 30 GKEARN CCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C)C2=O)cc1OCC ZINC000004916261 570499093 /nfs/dbraw/zinc/49/90/93/570499093.db2.gz XHCBYQIYAVFTLT-PKEPYMRNSA-N 0 0 396.512 5.108 50 30 GKEARN O=C(C(CN1CCCCC1)=NNc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006927246 570499112 /nfs/dbraw/zinc/49/91/12/570499112.db2.gz LFCVVBPCFPBODW-LYBHJNIJSA-N 0 0 390.314 5.130 50 30 GKEARN O=C1CCC2=C1[C@H](c1ccc(Br)cc1)c1c(ccc3ccccc31)N2 ZINC000005067701 570499287 /nfs/dbraw/zinc/49/92/87/570499287.db2.gz QCGHFNYECWEPKQ-HXUWFJFHSA-N 0 0 390.280 5.777 50 30 GKEARN C[C@@H]1CCc2sc(NC(=O)c3sc4ccccc4c3Cl)c(C#N)c2C1 ZINC000005193544 570499619 /nfs/dbraw/zinc/49/96/19/570499619.db2.gz HQESKPKTNOQWLT-SNVBAGLBSA-N 0 0 386.929 5.865 50 30 GKEARN C=CCN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)SC1=S ZINC000005201057 570504930 /nfs/dbraw/zinc/50/49/30/570504930.db2.gz RAHKICODFUWOPE-UCEMORSKSA-N 0 0 381.482 5.195 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C=Cc3ccccc3)sc2C1 ZINC000002737047 570510005 /nfs/dbraw/zinc/51/00/05/570510005.db2.gz JHGZZOIPVDZGLB-JIIJFUIFSA-N 0 0 378.541 6.462 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)[C@@]1(C)Cc1ccccc1 ZINC000006628224 570510253 /nfs/dbraw/zinc/51/02/53/570510253.db2.gz HEIJAGVZSNYRBA-VWLOTQADSA-N 0 0 399.563 5.730 50 30 GKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000006627505 570510317 /nfs/dbraw/zinc/51/03/17/570510317.db2.gz AYAUIALJNVIISD-UHFFFAOYSA-N 0 0 384.426 6.240 50 30 GKEARN COc1cc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)ccc1O ZINC000006641566 570515769 /nfs/dbraw/zinc/51/57/69/570515769.db2.gz ZOKSGBRBJQEDQO-NVNXTCNLSA-N 0 0 394.374 5.152 50 30 GKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000002894821 570521333 /nfs/dbraw/zinc/52/13/33/570521333.db2.gz IFDOSXKEZUNPDI-DFJXIDDLSA-N 0 0 393.273 7.217 50 30 GKEARN CCCCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000008387021 570530680 /nfs/dbraw/zinc/53/06/80/570530680.db2.gz GIHPAIDTJLMWMC-UHFFFAOYSA-N 0 0 379.541 5.363 50 30 GKEARN CCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000008397405 570531141 /nfs/dbraw/zinc/53/11/41/570531141.db2.gz BCWBDPOIAMHLRD-UHFFFAOYSA-N 0 0 398.635 7.089 50 30 GKEARN CCCCCCCc1ccc(-c2nnc(C3CCC(CCCC)CC3)o2)cc1 ZINC000008435481 570531395 /nfs/dbraw/zinc/53/13/95/570531395.db2.gz AMQDYLVNHDQQON-UHFFFAOYSA-N 0 0 382.592 7.714 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000008449916 570531873 /nfs/dbraw/zinc/53/18/73/570531873.db2.gz XSWWXBNCLQZEOX-UHFFFAOYSA-N 0 0 394.559 6.798 50 30 GKEARN CCCCCCCCCCCCCCCCCCn1c(C)nc2ccccc21 ZINC000008440027 570532101 /nfs/dbraw/zinc/53/21/01/570532101.db2.gz DSADMVZAOIPUFE-UHFFFAOYSA-N 0 0 384.652 8.606 50 30 GKEARN Cc1c(/C=N/N=C2/CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cnn1C ZINC000147170032 570537940 /nfs/dbraw/zinc/53/79/40/570537940.db2.gz FTSQLIABFSZKPD-WSWWHGNDSA-N 0 0 394.607 5.936 50 30 GKEARN CCCCCCCNC1=C(C(=O)CCC)C(=O)C[C@H](C[C@H](C)SCC)C1 ZINC000103015793 570542378 /nfs/dbraw/zinc/54/23/78/570542378.db2.gz SQIZOCJDQMRNKG-ZWKOTPCHSA-N 0 0 381.626 5.681 50 30 GKEARN CCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000008436993 570543163 /nfs/dbraw/zinc/54/31/63/570543163.db2.gz HIYSWASSDOXZLC-MOHJPFBDSA-N 0 0 393.575 6.790 50 30 GKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1 ZINC000036114343 570543191 /nfs/dbraw/zinc/54/31/91/570543191.db2.gz PIJOEXUYIJGLEL-UHFFFAOYSA-N 0 0 392.524 5.167 50 30 GKEARN C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036114764 570544021 /nfs/dbraw/zinc/54/40/21/570544021.db2.gz FKUYQCJQMDPLEB-UHFFFAOYSA-N 0 0 392.524 5.167 50 30 GKEARN CN(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006720163 570548650 /nfs/dbraw/zinc/54/86/50/570548650.db2.gz AXBIXXCFCQLYMT-RUZDIDTESA-N 0 0 397.522 5.610 50 30 GKEARN CN(c1ccccc1)c1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000009111160 570549240 /nfs/dbraw/zinc/54/92/40/570549240.db2.gz WLPHDQKRYMMEAG-LFVJCYFKSA-N 0 0 384.508 5.446 50 30 GKEARN COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)nc2c1 ZINC000005299696 570551901 /nfs/dbraw/zinc/55/19/01/570551901.db2.gz PSTSFCVQKVZRBA-UHFFFAOYSA-N 0 0 399.475 5.024 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000005343539 570558267 /nfs/dbraw/zinc/55/82/67/570558267.db2.gz AWLBFHSWHGXHLM-MWTRTKDXSA-N 0 0 381.435 5.045 50 30 GKEARN Cc1nc(-c2ccccc2)nc(SCCCOc2ccc(Cl)cc2)c1C#N ZINC000004324306 570559224 /nfs/dbraw/zinc/55/92/24/570559224.db2.gz XDXMZPGLPYYIPF-UHFFFAOYSA-N 0 0 395.915 5.538 50 30 GKEARN COc1ccc(C(=O)O/N=C/c2ccc(Sc3ccc(Cl)cc3)nc2)cc1 ZINC000005359410 570563200 /nfs/dbraw/zinc/56/32/00/570563200.db2.gz GQGKASLRILDLQI-YDZHTSKRSA-N 0 0 398.871 5.086 50 30 GKEARN C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000032988552 570571232 /nfs/dbraw/zinc/57/12/32/570571232.db2.gz CXEQMDZOGOLCQS-JKIKYLSZSA-N 0 0 386.520 5.293 50 30 GKEARN Cc1ccccc1N=NC(C)N=Nc1nc2ccccc2n1Cc1ccccc1 ZINC000005387332 570572151 /nfs/dbraw/zinc/57/21/51/570572151.db2.gz FHWPDFBLNJZPRN-MEESDTILSA-N 0 0 382.471 5.922 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 ZINC000004329372 570573472 /nfs/dbraw/zinc/57/34/72/570573472.db2.gz JHWZZLFITYKGIU-UHFFFAOYSA-N 0 0 394.931 5.878 50 30 GKEARN CCN(CC)c1cccc(/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 ZINC000225439803 570574095 /nfs/dbraw/zinc/57/40/95/570574095.db2.gz PLNHOEYVOVGDNF-YZSQISJMSA-N 0 0 380.576 6.584 50 30 GKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)c3ccc(O)cc3O2)N1 ZINC000006763542 570576050 /nfs/dbraw/zinc/57/60/50/570576050.db2.gz OYBOZFLVLNRILV-CVDCTZTESA-N 0 0 394.540 5.050 50 30 GKEARN CCOc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCCC2)cc1 ZINC000006768507 570578820 /nfs/dbraw/zinc/57/88/20/570578820.db2.gz YXJLCOFCJZRKBD-UHFFFAOYSA-N 0 0 377.492 5.125 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000005428531 570591249 /nfs/dbraw/zinc/59/12/49/570591249.db2.gz XKBWWNIDMNDCKU-QRQLOZEOSA-N 0 0 392.568 5.903 50 30 GKEARN C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000006786527 570591633 /nfs/dbraw/zinc/59/16/33/570591633.db2.gz ZMZLHLWKOHOBEL-UHFFFAOYSA-N 0 0 399.859 5.205 50 30 GKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C(C)(C)CC3)cc1 ZINC000003168616 570595813 /nfs/dbraw/zinc/59/58/13/570595813.db2.gz XUAWBYDUAXJPHN-DEOSSOPVSA-N 0 0 383.491 6.158 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003255935 570599933 /nfs/dbraw/zinc/59/99/33/570599933.db2.gz YACHHRLKUXKYPN-UHFFFAOYSA-N 0 0 382.444 5.063 50 30 GKEARN COc1ccc(CSc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000003268475 570600314 /nfs/dbraw/zinc/60/03/14/570600314.db2.gz AZOAJVMZXUEVDX-UHFFFAOYSA-N 0 0 385.539 5.003 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(F)c(Cl)c1 ZINC000225848087 570626042 /nfs/dbraw/zinc/62/60/42/570626042.db2.gz UVURBEPZXDBOTM-LAUBAEHRSA-N 0 0 386.850 5.107 50 30 GKEARN N#CC(c1ccccc1)(c1ccccc1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000001675363 570629226 /nfs/dbraw/zinc/62/92/26/570629226.db2.gz HHDUQHBAZZHUDC-UHFFFAOYSA-N 0 0 384.482 6.006 50 30 GKEARN CCOc1ccccc1O[C@@H]1CCCC[C@@H]1N(CCC#N)Cc1ccccc1 ZINC000044125519 570632002 /nfs/dbraw/zinc/63/20/02/570632002.db2.gz RRUIMUSBHYCRSA-FCHUYYIVSA-N 0 0 378.516 5.191 50 30 GKEARN CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000005551623 570632674 /nfs/dbraw/zinc/63/26/74/570632674.db2.gz PISFSHBUCOHBBW-SXGWCWSVSA-N 0 0 377.296 5.447 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000036352196 570633389 /nfs/dbraw/zinc/63/33/89/570633389.db2.gz OWXHCAALULOPQF-NOZRDPDXSA-N 0 0 382.463 5.494 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1ccc(OCc2ccccc2)cc1 ZINC000044835826 570634046 /nfs/dbraw/zinc/63/40/46/570634046.db2.gz FLZRFOZUCXWEFW-LPYMAVHISA-N 0 0 382.257 5.484 50 30 GKEARN Cc1[nH]c2ccccc2c1CN=Nc1ncnc2scc(-c3ccccc3)c21 ZINC000005556928 570640060 /nfs/dbraw/zinc/64/00/60/570640060.db2.gz WJFQDECQIIGXBM-OPEKNORGSA-N 0 0 383.480 5.594 50 30 GKEARN COc1ccccc1C=C1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O ZINC000006848950 570647289 /nfs/dbraw/zinc/64/72/89/570647289.db2.gz AUTDIYGTKWOSDL-DHDCSXOGSA-N 0 0 378.375 5.446 50 30 GKEARN N#Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000006849796 570647446 /nfs/dbraw/zinc/64/74/46/570647446.db2.gz KLAWGGGTRYNQGZ-UHFFFAOYSA-N 0 0 394.931 5.878 50 30 GKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(C(C)C)cc1 ZINC000012406275 570653518 /nfs/dbraw/zinc/65/35/18/570653518.db2.gz YJOQHYAJQALKEG-XTCLZLMSSA-N 0 0 388.511 5.872 50 30 GKEARN Cc1ccc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3ccc(C#N)cc3)c2c1 ZINC000065034445 570653641 /nfs/dbraw/zinc/65/36/41/570653641.db2.gz AAOLPGDBVGETLC-QGZVFWFLSA-N 0 0 384.483 5.031 50 30 GKEARN Cc1ccc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3ccc(C#N)cc3)c2c1 ZINC000065034443 570653840 /nfs/dbraw/zinc/65/38/40/570653840.db2.gz AAOLPGDBVGETLC-KRWDZBQOSA-N 0 0 384.483 5.031 50 30 GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(C)c1 ZINC000012406432 570653934 /nfs/dbraw/zinc/65/39/34/570653934.db2.gz PPTBTHDPEDHAPX-WDGPBFJASA-N 0 0 376.500 5.455 50 30 GKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(C)cc(C)c1 ZINC000012406438 570653993 /nfs/dbraw/zinc/65/39/93/570653993.db2.gz JMDPGTJRNZEJOP-VRCPTZKISA-N 0 0 376.500 5.455 50 30 GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(C)cc(C)c1 ZINC000012406436 570654044 /nfs/dbraw/zinc/65/40/44/570654044.db2.gz JMDPGTJRNZEJOP-WDGPBFJASA-N 0 0 376.500 5.455 50 30 GKEARN CC(C)CNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N ZINC000033026983 570662495 /nfs/dbraw/zinc/66/24/95/570662495.db2.gz SKLFKRFKWAPBAI-UHFFFAOYSA-N 0 0 387.439 5.606 50 30 GKEARN CCN(CC)c1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N ZINC000033027198 570662855 /nfs/dbraw/zinc/66/28/55/570662855.db2.gz JSRLDXWULOEFTE-UHFFFAOYSA-N 0 0 387.439 5.385 50 30 GKEARN COc1cccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)c1 ZINC000000859626 570663816 /nfs/dbraw/zinc/66/38/16/570663816.db2.gz ISQWMERJYVAWAZ-FSJBWODESA-N 0 0 378.815 5.613 50 30 GKEARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 ZINC000005590027 570664212 /nfs/dbraw/zinc/66/42/12/570664212.db2.gz AUCYDBVFGISHQR-FINLKQIMSA-N 0 0 396.277 5.594 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 ZINC000005417665 570664743 /nfs/dbraw/zinc/66/47/43/570664743.db2.gz GQEBSFDEXDETTH-SDNWHVSQSA-N 0 0 384.435 5.345 50 30 GKEARN Cc1ccc(Cc2cnc(NC(=O)CN3CCC(C)CC3)s2)cc1Cl ZINC000049705644 570665256 /nfs/dbraw/zinc/66/52/56/570665256.db2.gz YOWORXDQOXMCNB-UHFFFAOYSA-N 0 0 377.941 5.016 50 30 GKEARN CCOc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000013682096 570668080 /nfs/dbraw/zinc/66/80/80/570668080.db2.gz CYXAIATZODNJTI-ZWVOBYKJSA-N 0 0 398.458 5.794 50 30 GKEARN Cc1cccc(CSc2nc3c(c(C(F)(F)F)c2C#N)CCCCC3)c1 ZINC000004620407 570676067 /nfs/dbraw/zinc/67/60/67/570676067.db2.gz XNQQSTWDTWCEHH-UHFFFAOYSA-N 0 0 376.447 5.842 50 30 GKEARN N#Cc1c(SCc2cccc(F)c2)nc2c(c1C(F)(F)F)CCCCCC2 ZINC000004620402 570676329 /nfs/dbraw/zinc/67/63/29/570676329.db2.gz MODWQQXNINLAEF-UHFFFAOYSA-N 0 0 394.437 6.062 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Br ZINC000003126773 570676386 /nfs/dbraw/zinc/67/63/86/570676386.db2.gz RQOKBLXWVZQKNU-FYJGNVAPSA-N 0 0 381.229 5.775 50 30 GKEARN CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000870002 570678187 /nfs/dbraw/zinc/67/81/87/570678187.db2.gz ZEJIQAJFGGTIPK-SANMLTNESA-N 0 0 396.534 6.668 50 30 GKEARN Cc1ccc(C)c2nc(SCC(=O)Nc3cccc(Cl)c3C)c(C#N)cc12 ZINC000000872701 570682047 /nfs/dbraw/zinc/68/20/47/570682047.db2.gz OFJCEVSSCGPMQR-UHFFFAOYSA-N 0 0 395.915 5.416 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000004628567 570684730 /nfs/dbraw/zinc/68/47/30/570684730.db2.gz LJMNUDDGSQWHON-LRFDDAOPSA-N 0 0 392.568 6.084 50 30 GKEARN N#C[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000012630262 570692751 /nfs/dbraw/zinc/69/27/51/570692751.db2.gz HCYFSMAEWOXBOE-DHIUTWEWSA-N 0 0 382.423 5.011 50 30 GKEARN N#Cc1cccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000004356633 570696428 /nfs/dbraw/zinc/69/64/28/570696428.db2.gz YCUUQRMHEHCZHG-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)c1 ZINC000004356955 570696857 /nfs/dbraw/zinc/69/68/57/570696857.db2.gz AUPNATMMWKCIAM-UHFFFAOYSA-N 0 0 396.519 5.715 50 30 GKEARN C=CCN(Cc1ccc(Cl)s1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000006904834 570697307 /nfs/dbraw/zinc/69/73/07/570697307.db2.gz DUENHSVARJUJDI-UHFFFAOYSA-N 0 0 397.956 6.266 50 30 GKEARN C=CCn1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000006905128 570697472 /nfs/dbraw/zinc/69/74/72/570697472.db2.gz UFYBWHXTSZOCEG-SFHVURJKSA-N 0 0 380.904 5.011 50 30 GKEARN Cc1cc(Nc2cccc(Br)c2)n2c3ccccc3nc2c1C#N ZINC000004623448 570699741 /nfs/dbraw/zinc/69/97/41/570699741.db2.gz AOEGDVKKIXCSCJ-UHFFFAOYSA-N 0 0 377.245 5.174 50 30 GKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000885429 570705649 /nfs/dbraw/zinc/70/56/49/570705649.db2.gz JKNGCCJJFHGVPD-SANMLTNESA-N 0 0 397.522 5.754 50 30 GKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000001805399 570716960 /nfs/dbraw/zinc/71/69/60/570716960.db2.gz TXQXNUAFOCPVSY-UHFFFAOYSA-N 0 0 393.302 5.048 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C(C)(C)C)cc1 ZINC000004379897 570726005 /nfs/dbraw/zinc/72/60/05/570726005.db2.gz NISMTWSLIGFFBS-UHFFFAOYSA-N 0 0 383.948 6.597 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000005090873 570730713 /nfs/dbraw/zinc/73/07/13/570730713.db2.gz JWXVSXZOLMWMFO-UHFFFAOYSA-N 0 0 389.454 5.915 50 30 GKEARN N#C[C@]1(C(F)(F)F)C2(SC[C@@]1(C#N)C(F)(F)F)C1CC3CC(C1)CC2C3 ZINC000000970140 570740386 /nfs/dbraw/zinc/74/03/86/570740386.db2.gz NNDIWINPKPGCCY-MLZVIGOLSA-N 0 0 394.384 5.073 50 30 GKEARN FC(F)(F)c1cccc(-c2noc(-c3cncc(C#Cc4ccccc4)c3)n2)c1 ZINC000003127645 570744798 /nfs/dbraw/zinc/74/47/98/570744798.db2.gz OWJYBTUKERBNSZ-UHFFFAOYSA-N 0 0 391.352 5.217 50 30 GKEARN Cc1sc(NC(=O)c2ccncc2)c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000001054351 570747866 /nfs/dbraw/zinc/74/78/66/570747866.db2.gz QKTMYCOMYMSKCX-UHFFFAOYSA-N 0 0 388.279 5.549 50 30 GKEARN O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2ccc3ncccc3c2)S1 ZINC000072403037 570750161 /nfs/dbraw/zinc/75/01/61/570750161.db2.gz OEHJCWRJNCNRCC-APSNUPSMSA-N 0 0 385.370 5.384 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C[C@@H]2c1ccsc1 ZINC000001076732 570750263 /nfs/dbraw/zinc/75/02/63/570750263.db2.gz ZBTRYELVWFTJFI-MRXNPFEDSA-N 0 0 385.916 5.565 50 30 GKEARN CC(=O)Oc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000004417995 570751996 /nfs/dbraw/zinc/75/19/96/570751996.db2.gz JUXQSIATLTZRAM-XMMPIXPASA-N 0 0 399.471 5.478 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccc3ccccc31)c1c(ccc3ncccc31)N2 ZINC000001102632 570754597 /nfs/dbraw/zinc/75/45/97/570754597.db2.gz BAZLOKIYWAXCSH-VWLOTQADSA-N 0 0 376.459 5.953 50 30 GKEARN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\c2ccc(C)c(C)c2)cc1 ZINC000015134712 570758611 /nfs/dbraw/zinc/75/86/11/570758611.db2.gz KMNIKUWKYHHTDC-HAHDFKILSA-N 0 0 379.481 5.130 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000013564515 570758724 /nfs/dbraw/zinc/75/87/24/570758724.db2.gz LPFXTJFIRLVDEP-CYBMUJFWSA-N 0 0 385.703 5.109 50 30 aggregator GKEARN FC(F)(F)c1ccnc(-c2ccc(/C=N/OCc3ccccc3Cl)cc2)c1 ZINC000022996421 570758810 /nfs/dbraw/zinc/75/88/10/570758810.db2.gz WKZWVIJTZPIPFA-RPPGKUMJSA-N 0 0 390.792 5.972 50 30 GKEARN Cc1cccc(NC2=NC(=S)N(c3ccccc3Cl)C23CCCCC3)c1 ZINC000005813157 570773179 /nfs/dbraw/zinc/77/31/79/570773179.db2.gz FYOQPTALNDDAGA-UHFFFAOYSA-N 0 0 383.948 5.776 50 30 GKEARN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2CCCC)cc1 ZINC000100959276 570783406 /nfs/dbraw/zinc/78/34/06/570783406.db2.gz CTTOFPJDBSUFFN-BVYCBKJFSA-N 0 0 386.580 5.788 50 30 GKEARN C=NCCOC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000007078411 570785191 /nfs/dbraw/zinc/78/51/91/570785191.db2.gz BVPIJSZAXKNXTE-UHFFFAOYSA-N 0 0 397.110 5.018 50 30 GKEARN N#Cc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 ZINC000001183833 570791420 /nfs/dbraw/zinc/79/14/20/570791420.db2.gz PMYNCEUSACEQJL-UHFFFAOYSA-N 0 0 396.431 5.080 50 30 GKEARN Cc1ccccc1NC1=NC(=S)N(Cc2ccccc2)[C@]12CCOC(C)(C)C2 ZINC000005854926 570797120 /nfs/dbraw/zinc/79/71/20/570797120.db2.gz KWPAIRRIOJMPBO-QHCPKHFHSA-N 0 0 393.556 5.154 50 30 GKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000005854085 570797174 /nfs/dbraw/zinc/79/71/74/570797174.db2.gz WBCWZXZNXHVKSN-MFOYZWKCSA-N 0 0 391.250 5.561 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SC[C@H]1CO1 ZINC000005900035 570802093 /nfs/dbraw/zinc/80/20/93/570802093.db2.gz WRTAGFKFVXDIJD-QGZVFWFLSA-N 0 0 378.884 5.432 50 30 GKEARN COc1cc(C#N)ccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000005934862 570805468 /nfs/dbraw/zinc/80/54/68/570805468.db2.gz PXEHWWQIOIXFMZ-UHFFFAOYSA-N 0 0 393.855 5.684 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2c(C)cccc2C)cc1 ZINC000033096934 570809788 /nfs/dbraw/zinc/80/97/88/570809788.db2.gz ZVHIFJAECDPDCW-KQWNVCNZSA-N 0 0 382.577 5.250 50 30 GKEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000004492801 570809953 /nfs/dbraw/zinc/80/99/53/570809953.db2.gz RYAIRXCAEGMKRD-LBPRGKRZSA-N 0 0 389.883 5.134 50 30 GKEARN CCCCCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000004661371 570810695 /nfs/dbraw/zinc/81/06/95/570810695.db2.gz ABLOCJKXEFSPCF-UHFFFAOYSA-N 0 0 375.512 6.517 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)sc2C1 ZINC000005984961 570811438 /nfs/dbraw/zinc/81/14/38/570811438.db2.gz XUBGARVOXUKTSA-CVEARBPZSA-N 0 0 382.529 5.158 50 30 GKEARN COc1ccc(/N=C2/SC(=N)N(c3ccccc3Cl)C23CCCCC3)cc1 ZINC000004663454 570811965 /nfs/dbraw/zinc/81/19/65/570811965.db2.gz USELSFBLULDSGN-ADRRLYRRSA-N 0 0 399.947 6.270 50 30 GKEARN C=CCSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OCC)cc1 ZINC000006026651 570814997 /nfs/dbraw/zinc/81/49/97/570814997.db2.gz FVFQZFFNJNMDRE-UHFFFAOYSA-N 0 0 376.485 5.092 50 30 GKEARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc21 ZINC000006038062 570816114 /nfs/dbraw/zinc/81/61/14/570816114.db2.gz IZCWAINUQHDTMY-MRXNPFEDSA-N 0 0 383.451 5.092 50 30 GKEARN CCCCCCCn1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000001812999 570818537 /nfs/dbraw/zinc/81/85/37/570818537.db2.gz ZOLWGTLQZLDJRO-UHFFFAOYSA-N 0 0 387.527 6.478 50 30 GKEARN COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1OC ZINC000013039399 570819346 /nfs/dbraw/zinc/81/93/46/570819346.db2.gz NRSVZJLCFKGFGI-BJMVGYQFSA-N 0 0 388.891 5.678 50 30 GKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1 ZINC000004674731 570819627 /nfs/dbraw/zinc/81/96/27/570819627.db2.gz KFGMXDDIMQZCQX-UHFFFAOYSA-N 0 0 382.511 5.665 50 30 GKEARN CCc1ccc(/N=C2/S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C)cc1 ZINC000012463718 570820130 /nfs/dbraw/zinc/82/01/30/570820130.db2.gz IOMXWQAXWSZBJD-BMIYWVGJSA-N 0 0 391.323 5.790 50 30 GKEARN C[C@H](c1ccccc1)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000007251658 570820446 /nfs/dbraw/zinc/82/04/46/570820446.db2.gz ADAMMVZLPADFIV-QGZVFWFLSA-N 0 0 397.503 5.170 50 30 GKEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000065453264 570820763 /nfs/dbraw/zinc/82/07/63/570820763.db2.gz JDDBGQKAIUGOGN-LBPRGKRZSA-N 0 0 395.311 5.405 50 30 GKEARN CC/N=C1\S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC ZINC000004675826 570822336 /nfs/dbraw/zinc/82/23/36/570822336.db2.gz UDOREUNXLSZNTF-PZUCIDFCSA-N 0 0 389.524 5.002 50 30 GKEARN O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1)c1cccc(Cl)c1 ZINC000004676093 570822350 /nfs/dbraw/zinc/82/23/50/570822350.db2.gz VRPLBICEISQSRN-FSJBWODESA-N 0 0 385.250 5.702 50 30 GKEARN O=C(C=CNc1ccc(Br)cc1F)c1ccc(Cl)cc1Cl ZINC000101464301 570823096 /nfs/dbraw/zinc/82/30/96/570823096.db2.gz KTQSPQKLDRTJPC-WAYWQWQTSA-N 0 0 389.051 5.704 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 ZINC000004507020 570823451 /nfs/dbraw/zinc/82/34/51/570823451.db2.gz MJUSECULSGRTPX-SSDVNMTOSA-N 0 0 391.305 5.199 50 30 GKEARN COc1ccccc1CNc1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000012510787 570824583 /nfs/dbraw/zinc/82/45/83/570824583.db2.gz RONIXYNXPIZEEV-UHFFFAOYSA-N 0 0 388.496 5.299 50 30 GKEARN N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cc3ccccc3o2)n1 ZINC000004510920 570827854 /nfs/dbraw/zinc/82/78/54/570827854.db2.gz NKSTYCIGFGFLBP-UHFFFAOYSA-N 0 0 390.830 5.116 50 30 GKEARN C[C@@H]1CSC(=C(C(=O)/C=C/c2ccccc2)C(=O)/C=C\c2ccccc2)S1 ZINC000101659829 570828527 /nfs/dbraw/zinc/82/85/27/570828527.db2.gz XRWQUKDQVXCKBD-JULSLUKKSA-N 0 0 392.545 5.632 50 30 GKEARN CC(=NNc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000033153040 570828561 /nfs/dbraw/zinc/82/85/61/570828561.db2.gz XYCHKUKXVHTWLQ-STZFKDTASA-N 0 0 392.371 5.131 50 30 GKEARN Cc1nnc(Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c(C#N)c1C ZINC000012525173 570829929 /nfs/dbraw/zinc/82/99/29/570829929.db2.gz XOXVMWOBCPFBIN-UHFFFAOYSA-N 0 0 395.538 5.296 50 30 GKEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000004684659 570830370 /nfs/dbraw/zinc/83/03/70/570830370.db2.gz UILZJXGIDJOUTH-IBGZPJMESA-N 0 0 384.266 5.365 50 30 GKEARN N#CCc1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000032810203 570833133 /nfs/dbraw/zinc/83/31/33/570833133.db2.gz FTOQTISECIPJCD-UHFFFAOYSA-N 0 0 399.475 5.047 50 30 GKEARN CCCCCOc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000014257491 570839674 /nfs/dbraw/zinc/83/96/74/570839674.db2.gz BLGRWDDYSPAADW-XIEYBQDHSA-N 0 0 393.556 6.524 50 30 GKEARN N#C[C@@H](C(=O)c1ccc2ccccc2c1)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003268668 570844798 /nfs/dbraw/zinc/84/47/98/570844798.db2.gz QLBJPCVLNUAUMN-INIZCTEOSA-N 0 0 396.393 5.958 50 30 GKEARN COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1OC ZINC000004544172 570855745 /nfs/dbraw/zinc/85/57/45/570855745.db2.gz LRKVSPGQPQEAGT-KOEQRZSOSA-N 0 0 383.451 5.307 50 30 GKEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044085670 570862377 /nfs/dbraw/zinc/86/23/77/570862377.db2.gz NTYZSZUFHSXQGR-UHFFFAOYSA-N 0 0 383.904 5.120 50 30 GKEARN N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000044087159 570862674 /nfs/dbraw/zinc/86/26/74/570862674.db2.gz NYBZFXLOMSCHLV-UHFFFAOYSA-N 0 0 388.265 5.057 50 30 GKEARN N#CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087896 570863023 /nfs/dbraw/zinc/86/30/23/570863023.db2.gz OPNXHKAHAHALFB-UHFFFAOYSA-N 0 0 375.375 5.054 50 30 GKEARN C=CCn1c(S[C@H](C)CCC#N)nc2scc(-c3cccs3)c2c1=O ZINC000170605482 570863013 /nfs/dbraw/zinc/86/30/13/570863013.db2.gz DAQPIGFPASTSFF-GFCCVEGCSA-N 0 0 387.555 5.157 50 30 GKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1C ZINC000003418392 570865995 /nfs/dbraw/zinc/86/59/95/570865995.db2.gz ULVJMNXGHCWXBN-UHFFFAOYSA-N 0 0 385.920 5.297 50 30 GKEARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1C ZINC000007549892 570879006 /nfs/dbraw/zinc/87/90/06/570879006.db2.gz YDKHMAFPRCTADV-QGZVFWFLSA-N 0 0 386.451 5.023 50 30 GKEARN Cc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 ZINC000003637083 570879458 /nfs/dbraw/zinc/87/94/58/570879458.db2.gz AIVVCFOMIYPCBT-UHFFFAOYSA-N 0 0 390.455 6.301 50 30 GKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 ZINC000003664781 570881623 /nfs/dbraw/zinc/88/16/23/570881623.db2.gz VPIGVRSDCDFOAW-AOYSYPELSA-N 0 0 398.937 7.226 50 30 GKEARN COc1ccc2cc(CN3CCC[C@@H](C#N)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072440800 570881961 /nfs/dbraw/zinc/88/19/61/570881961.db2.gz MRZOBKDMGCYDDG-INIZCTEOSA-N 0 0 391.902 5.299 50 30 GKEARN N#C[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000072410020 570882021 /nfs/dbraw/zinc/88/20/21/570882021.db2.gz LBHMEBQZXWGNOZ-FQEVSTJZSA-N 0 0 396.494 5.080 50 30 GKEARN N#C[C@]12CCCC[C@@H]1C(c1ccccc1)[C@H]1CCCC[C@]1(C#N)N2c1ccccc1 ZINC000004729007 570883594 /nfs/dbraw/zinc/88/35/94/570883594.db2.gz KTRYHAULWNUHQF-UDCKCYQBSA-N 0 0 395.550 6.196 50 30 GKEARN CC1(C)c2ccccc2N=C1C=c1c(=O)c(=CC2Nc3ccccc3C2(C)C)c1=O ZINC000103831941 570889353 /nfs/dbraw/zinc/88/93/53/570889353.db2.gz VIIQDTCKCNREAM-BVNYUDSNSA-N 0 0 396.490 5.659 50 30 GKEARN CN(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000031854554 570899776 /nfs/dbraw/zinc/89/97/76/570899776.db2.gz JGIIIUTVNJGISY-FBHDLOMBSA-N 0 0 391.327 5.629 50 30 GKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000031854457 570899988 /nfs/dbraw/zinc/89/99/88/570899988.db2.gz ZIXCDMBOZAUTCY-OCKHKDLRSA-N 0 0 376.254 5.158 50 30 GKEARN C#CCn1c(CCC)c(CCC)nc1SCc1c(Cl)cccc1Cl ZINC000004024028 570900654 /nfs/dbraw/zinc/90/06/54/570900654.db2.gz GUBCHJDCPXNREV-UHFFFAOYSA-N 0 0 381.372 6.020 50 30 GKEARN CC(=O)c1cc(C#N)c(SCc2coc(-c3ccc(C)cc3C)n2)nc1C ZINC000023078657 570902734 /nfs/dbraw/zinc/90/27/34/570902734.db2.gz SGDOGMLNSOOZAA-UHFFFAOYSA-N 0 0 377.469 5.028 50 30 GKEARN C(#Cc1ccccc1)/C=C\c1ccc2ccc(/C=C\C#Cc3ccccc3)cc2c1 ZINC000110266977 570906739 /nfs/dbraw/zinc/90/67/39/570906739.db2.gz GXZWAXJSYFPMBD-XFQWXJFMSA-N 0 0 380.490 6.970 50 30 GKEARN Cc1ccc(Cl)cc1-c1ccc(/C=N\c2ccc(N3CCOCC3)cc2)o1 ZINC000015938963 570909845 /nfs/dbraw/zinc/90/98/45/570909845.db2.gz SCIAMNQLJKDEMQ-IWIPYMOSSA-N 0 0 380.875 5.496 50 30 GKEARN CN1[C@@H]2CC[C@H]1/C(=C\c1ccccc1Cl)C(=O)/C2=C\c1ccccc1Cl ZINC000015974601 570910332 /nfs/dbraw/zinc/91/03/32/570910332.db2.gz BPSIHESMRAEMQU-IWLSLIRVSA-N 0 0 384.306 5.506 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000051318546 570911009 /nfs/dbraw/zinc/91/10/09/570911009.db2.gz YDQUONKOYBJQIG-ZHACJKMWSA-N 0 0 397.824 6.346 50 30 GKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)cn1 ZINC000105263946 570919901 /nfs/dbraw/zinc/91/99/01/570919901.db2.gz XKRIBCLXBKPPCM-WBHYLMNTSA-N 0 0 390.527 5.030 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C/c1ccc(Cl)cc1)C2=O ZINC000105371579 570922623 /nfs/dbraw/zinc/92/26/23/570922623.db2.gz WCHUABIOEGJTRD-QBDHMZAWSA-N 0 0 392.926 6.164 50 30 biogenic GKEARN C(=Nc1ccccc1)C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 ZINC000254399403 570923000 /nfs/dbraw/zinc/92/30/00/570923000.db2.gz SXVUZNJHWGLXJY-HHHXNRCGSA-N 0 0 387.482 7.025 50 30 GKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(NN=Cc3cccs3)nc2n1 ZINC000004052701 570925399 /nfs/dbraw/zinc/92/53/99/570925399.db2.gz ARCYQOATYCXIRG-QPJQQBGISA-N 0 0 390.312 5.175 50 30 GKEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002080192 570928043 /nfs/dbraw/zinc/92/80/43/570928043.db2.gz ZYLBCRVNXFIHHJ-UHFFFAOYSA-N 0 0 388.920 5.258 50 30 GKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000012652092 570947570 /nfs/dbraw/zinc/94/75/70/570947570.db2.gz RIMQJJWQKLWGME-QHCPKHFHSA-N 0 0 388.511 5.486 50 30 GKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000018222383 570951448 /nfs/dbraw/zinc/95/14/48/570951448.db2.gz NFFVMRYVYGTVBG-CYFREDJKSA-N 0 0 398.510 5.126 50 30 GKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000018244452 570951956 /nfs/dbraw/zinc/95/19/56/570951956.db2.gz FRSIOXJBNHSXLL-NRFANRHFSA-N 0 0 378.472 5.079 50 30 GKEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)c(Cl)c1 ZINC000004740386 570954288 /nfs/dbraw/zinc/95/42/88/570954288.db2.gz CPPLSGKJCWGLCU-MNXJYXHMSA-N 0 0 386.854 5.241 50 30 GKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001301633 570956878 /nfs/dbraw/zinc/95/68/78/570956878.db2.gz IVFILELFLSEDSJ-VWLOTQADSA-N 0 0 399.490 5.864 50 30 GKEARN N#Cc1c(N=Cc2cccc([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000252444397 570957516 /nfs/dbraw/zinc/95/75/16/570957516.db2.gz ROPNHWKSOGEWHO-UHFFFAOYSA-N 0 0 393.402 6.144 50 30 GKEARN O=C(/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2o1)c1ccccc1 ZINC000004747040 570958682 /nfs/dbraw/zinc/95/86/82/570958682.db2.gz FCPZPDQOISMPOS-SFQUDFHCSA-N 0 0 394.257 6.558 50 30 GKEARN CCOC(=O)c1c(N=Cc2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000252461958 570960440 /nfs/dbraw/zinc/96/04/40/570960440.db2.gz OREGEPJHSDJMIN-UHFFFAOYSA-N 0 0 392.864 5.116 50 30 GKEARN CSc1ccc(C=Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1 ZINC000252462170 570960756 /nfs/dbraw/zinc/96/07/56/570960756.db2.gz QJLJMDBQYLNKQL-UHFFFAOYSA-N 0 0 380.538 5.219 50 30 GKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000252463042 570961057 /nfs/dbraw/zinc/96/10/57/570961057.db2.gz YJKCURVEYNVXQN-UHFFFAOYSA-N 0 0 389.480 5.330 50 30 GKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(c1ccccc1)N1CCCC1 ZINC000049611649 570965195 /nfs/dbraw/zinc/96/51/95/570965195.db2.gz VIJJZKFPOVHQCM-MUUNZHRXSA-N 0 0 391.514 5.853 50 30 GKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000003169621 570966782 /nfs/dbraw/zinc/96/67/82/570966782.db2.gz KAISRJFRPPDCAB-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1cc(C)c(C#N)c(Sc2ccccc2NC(=O)c2ccc(F)cc2)n1 ZINC000001389889 570973781 /nfs/dbraw/zinc/97/37/81/570973781.db2.gz XNLIBOVQIUDQTE-UHFFFAOYSA-N 0 0 377.444 5.113 50 30 GKEARN N#Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)cnc1Oc1ccccc1 ZINC000001396829 570977748 /nfs/dbraw/zinc/97/77/48/570977748.db2.gz ZGWDIKBKUCAGRV-UHFFFAOYSA-N 0 0 375.737 5.480 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2cc(Cl)c(OC)cc2OC)cc1 ZINC000044843277 570979841 /nfs/dbraw/zinc/97/98/41/570979841.db2.gz WSIFGPBNKUPHDL-ZHACJKMWSA-N 0 0 389.879 5.345 50 30 GKEARN O=C(C=CNc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000044843475 570980274 /nfs/dbraw/zinc/98/02/74/570980274.db2.gz RQHMEOBZPSJENA-CMDGGOBGSA-N 0 0 386.167 5.156 50 30 GKEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCc1ccc(Cl)cc1 ZINC000001402682 570981527 /nfs/dbraw/zinc/98/15/27/570981527.db2.gz IQXWIEVGTRJIMO-UHFFFAOYSA-N 0 0 384.913 5.379 50 30 aggregator GKEARN C/C(=N/N=c1\scc(-c2ccccc2)n1Cc1ccco1)c1cccs1 ZINC000004194353 570992169 /nfs/dbraw/zinc/99/21/69/570992169.db2.gz QYEJVYCEAAMCOB-FAEUNECHSA-N 0 0 379.510 5.244 50 30 GKEARN N#Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 ZINC000004791114 570993207 /nfs/dbraw/zinc/99/32/07/570993207.db2.gz PBHXQBURNLPVMI-UHFFFAOYSA-N 0 0 396.903 5.009 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1Cl)C2=O ZINC000252588378 570997221 /nfs/dbraw/zinc/99/72/21/570997221.db2.gz ABPLWVLRVBSYHB-LZKRAQBWSA-N 0 0 397.002 7.335 50 30 GKEARN Cc1ccc2nc(-c3ccc(N=Cc4ccc(Cl)cc4Cl)cc3)oc2c1 ZINC000252594133 571002712 /nfs/dbraw/zinc/00/27/12/571002712.db2.gz BPTMJUCPDNMYJK-UHFFFAOYSA-N 0 0 381.262 6.861 50 30 GKEARN O=[N+]([O-])c1ccc(C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)s1 ZINC000252593886 571003233 /nfs/dbraw/zinc/00/32/33/571003233.db2.gz BNZFOLJJBCLPMT-UHFFFAOYSA-N 0 0 399.431 6.368 50 30 GKEARN CCCN1C(=O)/C(=C\c2ccccc2OC)SC1=Nc1ccc(OCC)cc1 ZINC000252599781 571005123 /nfs/dbraw/zinc/00/51/23/571005123.db2.gz DLXDPNBXYVKBBC-COSNONQRSA-N 0 0 396.512 5.108 50 30 GKEARN CCCN1C(=O)/C(=C/c2ccccc2OC)SC1=Nc1ccc(OCC)cc1 ZINC000252599782 571005170 /nfs/dbraw/zinc/00/51/70/571005170.db2.gz DLXDPNBXYVKBBC-SPDSTVKKSA-N 0 0 396.512 5.108 50 30 GKEARN COc1ccc(C=Nc2csc3nc(C)cc(C(F)(F)F)c23)cc1OC ZINC000252600007 571005294 /nfs/dbraw/zinc/00/52/94/571005294.db2.gz DODCSHAYVLIKCN-UHFFFAOYSA-N 0 0 380.391 5.391 50 30 GKEARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000252602091 571005646 /nfs/dbraw/zinc/00/56/46/571005646.db2.gz FFHPPWDMYZFTDG-UHFFFAOYSA-N 0 0 393.262 5.873 50 30 GKEARN CCOC(=O)c1c(N=Cc2c(O)ccc3ccccc32)sc2c1CCCC2 ZINC000252601442 571005718 /nfs/dbraw/zinc/00/57/18/571005718.db2.gz FARFZLRGHSZJQP-UHFFFAOYSA-N 0 0 379.481 5.413 50 30 GKEARN Cc1ccc(/C=C2\SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000252601208 571005723 /nfs/dbraw/zinc/00/57/23/571005723.db2.gz DXVMHNVYAKISJL-BWFWVIOXSA-N 0 0 376.403 5.248 50 30 GKEARN Cc1cccc2oc(-c3cccc(N=Cc4ccc(Cl)c([N+](=O)[O-])c4)c3)nc21 ZINC000252603978 571006501 /nfs/dbraw/zinc/00/65/01/571006501.db2.gz FVZCMKOLHDMVBQ-UHFFFAOYSA-N 0 0 391.814 6.115 50 30 GKEARN O=C1c2ccccc2C(=Nc2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000252603961 571006527 /nfs/dbraw/zinc/00/65/27/571006527.db2.gz FVPJKYCSQKVLSG-LJQANCHMSA-N 0 0 376.253 5.550 50 30 GKEARN CCOc1ccc(N=C2S/C(=C\c3ccccc3OCC)C(=O)N2CC)cc1 ZINC000252604396 571006711 /nfs/dbraw/zinc/00/67/11/571006711.db2.gz FZHAASNDGHSIOZ-SPDSTVKKSA-N 0 0 396.512 5.108 50 30 GKEARN CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1ccccc1 ZINC000252608183 571007916 /nfs/dbraw/zinc/00/79/16/571007916.db2.gz HIALQXVPHUVVIG-WQMDNOJUSA-N 0 0 375.497 5.034 50 30 GKEARN Cc1cccc(N=Cc2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000252608997 571009462 /nfs/dbraw/zinc/00/94/62/571009462.db2.gz HOXVBDNBQGLBDF-UHFFFAOYSA-N 0 0 384.262 6.272 50 30 GKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc(Cl)ccc1O ZINC000252609374 571009550 /nfs/dbraw/zinc/00/95/50/571009550.db2.gz HSSJBYZBZFVZRF-UHFFFAOYSA-N 0 0 397.261 6.566 50 30 GKEARN CCc1ccc(N=C2S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C)cc1 ZINC000252611932 571015224 /nfs/dbraw/zinc/01/52/24/571015224.db2.gz IOMXWQAXWSZBJD-SAIIIAOYSA-N 0 0 391.323 5.790 50 30 GKEARN Cc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252611532 571015238 /nfs/dbraw/zinc/01/52/38/571015238.db2.gz IKKDEKJOTRYZJH-HNYZTYFESA-N 0 0 384.504 5.799 50 30 GKEARN CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=Nc1ccccc1 ZINC000252612014 571015250 /nfs/dbraw/zinc/01/52/50/571015250.db2.gz IOYJVJOSNPUXJC-OMSSWJLUSA-N 0 0 375.497 5.572 50 30 GKEARN COc1ccc(C=Nc2cccc3c(N=Cc4ccc(OC)cc4)cccc23)cc1 ZINC000252611915 571015288 /nfs/dbraw/zinc/01/52/88/571015288.db2.gz IOJULEMVKXWTOZ-UHFFFAOYSA-N 0 0 394.474 6.358 50 30 GKEARN COc1cc(C=Nc2oc(-c3ccc(Br)cc3)cc2C#N)ccc1C ZINC000252613205 571016828 /nfs/dbraw/zinc/01/68/28/571016828.db2.gz IZLMBWZJBZIADF-UHFFFAOYSA-N 0 0 395.256 5.648 50 30 GKEARN CCc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000252614453 571017907 /nfs/dbraw/zinc/01/79/07/571017907.db2.gz JJRGSYUQNGTVHX-ZINKLTMQSA-N 0 0 384.504 6.058 50 30 GKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](c2ccccc2)C1(C#N)C#N ZINC000252615852 571018385 /nfs/dbraw/zinc/01/83/85/571018385.db2.gz JWDRLCSIVQWUDO-RJGXRXQPSA-N 0 0 395.506 5.012 50 30 GKEARN N#Cc1c2c(sc1N=Cc1ccc(OCc3ccccc3)cc1)CCCCC2 ZINC000252615916 571018582 /nfs/dbraw/zinc/01/85/82/571018582.db2.gz JWOYACOKMCFPKF-UHFFFAOYSA-N 0 0 386.520 6.218 50 30 GKEARN Oc1ccccc1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000252617739 571019338 /nfs/dbraw/zinc/01/93/38/571019338.db2.gz KZEFGYDDROEZOH-UHFFFAOYSA-N 0 0 393.240 5.714 50 30 GKEARN CSC1=NC(=Nc2cccc(C)c2)C2(CCCCC2)N1c1ccccc1Cl ZINC000252617649 571019509 /nfs/dbraw/zinc/01/95/09/571019509.db2.gz KXQMTYMGXVQHNS-UHFFFAOYSA-N 0 0 397.975 6.621 50 30 GKEARN COc1cc(C)ccc1Oc1cc(C)nc(SCc2cccc(C#N)c2)n1 ZINC000037510896 571021631 /nfs/dbraw/zinc/02/16/31/571021631.db2.gz GBUMYOFCSOHDBD-UHFFFAOYSA-N 0 0 377.469 5.058 50 30 GKEARN Oc1ccc(Br)cc1C=NN=C(c1ccccc1)c1ccccc1 ZINC000252620367 571026733 /nfs/dbraw/zinc/02/67/33/571026733.db2.gz MCRAMGCIBYYDPI-UHFFFAOYSA-N 0 0 379.257 5.026 50 30 GKEARN N#CCCn1c2ccccc2nc1SCc1csc(-c2ccccc2)n1 ZINC000007738693 571028884 /nfs/dbraw/zinc/02/88/84/571028884.db2.gz CNMNEMGMRUSSRE-UHFFFAOYSA-N 0 0 376.510 5.366 50 30 GKEARN Fc1cccc(-c2nc3cc(N=Cc4cc5c(cc4Cl)OCO5)ccc3o2)c1 ZINC000252621859 571033590 /nfs/dbraw/zinc/03/35/90/571033590.db2.gz NIAVBMPVIZSHCN-UHFFFAOYSA-N 0 0 394.789 5.767 50 30 GKEARN CCCCOc1ccc(N=C(C)C(C)=Nc2ccc(OCCCC)cc2)cc1 ZINC000252623856 571036290 /nfs/dbraw/zinc/03/62/90/571036290.db2.gz PAYNIRHOBALWIV-UHFFFAOYSA-N 0 0 380.532 6.929 50 30 GKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccncc1 ZINC000007778748 571036493 /nfs/dbraw/zinc/03/64/93/571036493.db2.gz CUYBCQLIUQKLNI-JOCHJYFZSA-N 0 0 392.466 5.117 50 30 GKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccncc1 ZINC000007778749 571036541 /nfs/dbraw/zinc/03/65/41/571036541.db2.gz CUYBCQLIUQKLNI-QFIPXVFZSA-N 0 0 392.466 5.117 50 30 GKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccccn1 ZINC000007778762 571036543 /nfs/dbraw/zinc/03/65/43/571036543.db2.gz LYBHTTMQRBGDJQ-HSZRJFAPSA-N 0 0 392.466 5.117 50 30 GKEARN O=[N+]([O-])c1cccc(C=Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000252624254 571037305 /nfs/dbraw/zinc/03/73/05/571037305.db2.gz PKEKGCFVVWWNNF-UHFFFAOYSA-N 0 0 375.409 5.328 50 30 GKEARN CC1(C)OC(c2ccccc2)=C/C(=C\C=Nc2sc3c(c2C#N)CCCC3)O1 ZINC000252624342 571037686 /nfs/dbraw/zinc/03/76/86/571037686.db2.gz PLXNMQAEHDCQRR-SBRWRHIBSA-N 0 0 390.508 5.909 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(N=Cc4c(O)ccc5ccccc54)c3)oc2c1 ZINC000252624175 571037824 /nfs/dbraw/zinc/03/78/24/571037824.db2.gz PIJAOBPZOLLLBO-UHFFFAOYSA-N 0 0 392.458 6.721 50 30 GKEARN CCCOc1ccc(C(=O)ON=C(C)c2ccc(C3CCCCC3)cc2)cc1 ZINC000252624384 571037851 /nfs/dbraw/zinc/03/78/51/571037851.db2.gz PNAJXAFDARWKGV-UHFFFAOYSA-N 0 0 379.500 6.104 50 30 GKEARN C#CC(CC)(CC)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC000007781264 571038583 /nfs/dbraw/zinc/03/85/83/571038583.db2.gz FOSKPKQZKBWRBK-UHFFFAOYSA-N 0 0 398.553 5.412 50 30 GKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C/c3ccc(Cl)cc3)S1)C2 ZINC000252624914 571038736 /nfs/dbraw/zinc/03/87/36/571038736.db2.gz PYCCCDOXZRYTIF-NUHLCPQHSA-N 0 0 387.936 5.102 50 30 GKEARN CCCCCC#CC#CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000004187174 571041743 /nfs/dbraw/zinc/04/17/43/571041743.db2.gz FBCGUJGNXAYFRK-UHFFFAOYSA-N 0 0 383.532 6.682 50 30 GKEARN CCCCCCCCCCCCC/C=C/C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000032790474 571744212 /nfs/dbraw/zinc/74/42/12/571744212.db2.gz SOYNLLDADLOGAM-RURFIKTLSA-O 0 0 398.608 5.336 50 30 endogenous,in-man GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]12 ZINC000012494489 574413006 /nfs/dbraw/zinc/41/30/06/574413006.db2.gz QYSXJUFSXHHAJI-GOTMLVSZSA-N 0 0 384.648 7.619 50 30 endogenous,world GKEARN Cc1ccc(CN2c3ccccc3C(=NNc3ccc(Cl)cc3)C2=O)cc1 ZINC000100327130 231006296 /nfs/dbraw/zinc/00/62/96/231006296.db2.gz LDVNHNVKWHVSIN-NJNXFGOHSA-N 0 0 375.859 5.011 50 30 GKEARN O=C1C(=NNc2cc(Cl)cc(Cl)c2)c2ccccc2N1c1ccccc1 ZINC000100327190 231006404 /nfs/dbraw/zinc/00/64/04/231006404.db2.gz UAFYGCUYQXJDEM-CLCOLTQESA-N 0 0 382.250 5.488 50 30 GKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000100353124 231006573 /nfs/dbraw/zinc/00/65/73/231006573.db2.gz UDZAQHIEXNBBFA-BLOQEJBCSA-N 0 0 392.524 5.632 50 30 GKEARN Cc1ccccc1/C=C\C(=O)c1c(=O)n(C)c2ccccc2c1-c1ccccc1 ZINC000096265914 231000498 /nfs/dbraw/zinc/00/04/98/231000498.db2.gz FVMSSUALMMABKF-MSUUIHNZSA-N 0 0 379.459 5.410 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(F)cc1)C2=O ZINC000245319095 231040705 /nfs/dbraw/zinc/04/07/05/231040705.db2.gz ZEZJMEPOMUWRBS-HIHCUNAASA-N 0 0 394.530 5.712 50 30 GKEARN N#Cc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000409415703 231204929 /nfs/dbraw/zinc/20/49/29/231204929.db2.gz ZDEKBECACQXAHN-FQEVSTJZSA-N 0 0 395.437 5.174 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Cl)c3)C12 ZINC000018179655 210214780 /nfs/dbraw/zinc/21/47/80/210214780.db2.gz ILHKFPUGXJCVJH-JOCHJYFZSA-N 0 0 375.880 6.207 50 30 GKEARN Cc1c(Cc2ccccc2)sc(/N=C/c2ccc3ccccc3c2)c1C(N)=O ZINC000017887539 210210995 /nfs/dbraw/zinc/21/09/95/210210995.db2.gz GEAGDHRIXNWKKF-CVKSISIWSA-N 0 0 384.504 5.650 50 30 GKEARN Cc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000017179911 210206466 /nfs/dbraw/zinc/20/64/66/210206466.db2.gz KOXWRYKJIMOLTH-UHFFFAOYSA-N 0 0 382.511 6.308 50 30 GKEARN CC(C)(C)/N=C1\[C@@H](N2CCCC2)C(C)(C)C(=S)N1c1ccccc1Cl ZINC000015861649 210174137 /nfs/dbraw/zinc/17/41/37/210174137.db2.gz KPOIIIAZYYLYRA-VBUUPXLYSA-N 0 0 377.985 5.175 50 30 GKEARN CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccco1 ZINC000014189806 210109511 /nfs/dbraw/zinc/10/95/11/210109511.db2.gz SFAURHYWMCCLQE-UHFFFAOYSA-N 0 0 386.480 5.389 50 30 GKEARN Cc1cc(-c2ccccc2)nc(N=NCc2c3ccccc3cc3ccccc32)n1 ZINC000013943251 210096490 /nfs/dbraw/zinc/09/64/90/210096490.db2.gz WUMOPBJOMORJSS-WPWMEQJKSA-N 0 0 388.474 6.204 50 30 GKEARN COc1cc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012970043 210036761 /nfs/dbraw/zinc/03/67/61/210036761.db2.gz VLIRGSJVCILXKY-ZVHZXABRSA-N 0 0 387.439 5.006 50 30 GKEARN C(=N/N=C/c1ccc(-c2cccs2)s1)\c1ccc(-c2cccs2)s1 ZINC000006473143 209652049 /nfs/dbraw/zinc/65/20/49/209652049.db2.gz ISCLZNKSPYHWMF-AYKLPDECSA-N 0 0 384.576 6.720 50 30 GKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000005377054 209590482 /nfs/dbraw/zinc/59/04/82/209590482.db2.gz MJPNOISTGWSNBA-RCCKNPSSSA-N 0 0 386.476 5.157 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000005003162 209558595 /nfs/dbraw/zinc/55/85/95/209558595.db2.gz ZYSJMBUXTQPVAU-IEDQNEBGSA-N 0 0 379.807 5.806 50 30 GKEARN N#Cc1sc2nc3c(c(-c4cccs4)c2c1N)CC/C3=C/c1cccs1 ZINC000004869442 209535326 /nfs/dbraw/zinc/53/53/26/209535326.db2.gz DXFAYSJWJAOFBV-LUAWRHEFSA-N 0 0 391.546 6.027 50 30 GKEARN CCOCCC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000004806295 209526058 /nfs/dbraw/zinc/52/60/58/209526058.db2.gz KBWCODMSLSTRNF-QGZVFWFLSA-N 0 0 391.298 5.322 50 30 GKEARN CCc1ccc([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794669 209525852 /nfs/dbraw/zinc/52/58/52/209525852.db2.gz GZONZNFLNJIFAX-QFIPXVFZSA-N 0 0 391.511 5.467 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000004759425 209522525 /nfs/dbraw/zinc/52/25/25/209522525.db2.gz PHFNDQTVEYYEFF-OSPHWJPCSA-N 0 0 385.442 5.200 50 30 GKEARN Clc1ccc(-c2csc(N=NC3c4ccccc4-c4ccccc43)n2)cc1 ZINC000004652660 209506322 /nfs/dbraw/zinc/50/63/22/209506322.db2.gz GEDRQJGBDIHCHF-UHFFFAOYSA-N 0 0 387.895 6.308 50 30 GKEARN O=C(c1cccc2c1-c1ccccc1C2=NNc1ccccc1)N1CCCCC1 ZINC000004545601 209495499 /nfs/dbraw/zinc/49/54/99/209495499.db2.gz NFKHXKBYDKYDPB-SOYKGTTHSA-N 0 0 381.479 5.158 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000004520971 209492955 /nfs/dbraw/zinc/49/29/55/209492955.db2.gz NOWGYTKMJOKDTG-ZHZULCJRSA-N 0 0 389.838 5.264 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCCC2)c1Cc1ccccc1 ZINC000004160107 209469221 /nfs/dbraw/zinc/46/92/21/209469221.db2.gz BQUCLEHXSLTZKB-UHFFFAOYSA-N 0 0 394.522 6.003 50 30 GKEARN COc1ccccc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CC(C)(C)C2 ZINC000004074880 209463706 /nfs/dbraw/zinc/46/37/06/209463706.db2.gz HELDSNQPXBDWGE-HSZRJFAPSA-N 0 0 384.479 5.444 50 30 GKEARN COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2cccc(Cl)c2)cc1 ZINC000003656316 209453098 /nfs/dbraw/zinc/45/30/98/209453098.db2.gz CGCWZZAIYVUROI-HXUWFJFHSA-N 0 0 380.831 5.426 50 30 GKEARN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1ccccc1C ZINC000003663427 209452104 /nfs/dbraw/zinc/45/21/04/209452104.db2.gz AIHDKFFJZZBTLL-FLFQWRMESA-N 0 0 377.557 6.276 50 30 GKEARN O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(Br)cc1 ZINC000003126163 209412397 /nfs/dbraw/zinc/41/23/97/209412397.db2.gz DJMWTYLOLDOQAG-CMDGGOBGSA-N 0 0 388.113 6.245 50 30 GKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc21 ZINC000003115248 209411264 /nfs/dbraw/zinc/41/12/64/209411264.db2.gz PHLAOJSSNLXMOF-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN C=C[C@H]1Oc2ccc(Cl)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000002927327 209399013 /nfs/dbraw/zinc/39/90/13/209399013.db2.gz RUYXBXQMOZOPDU-LJQANCHMSA-N 0 0 385.935 5.965 50 30 GKEARN Cc1ccc(COc2ccc(/C=N/NC(=S)Nc3ccc(F)cc3)cc2)cc1 ZINC000002544408 209369720 /nfs/dbraw/zinc/36/97/20/209369720.db2.gz QWULSRLNXWONLE-ZVHZXABRSA-N 0 0 393.487 5.034 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Nc3ccccc3Cl)sc2C1 ZINC000002772904 209383476 /nfs/dbraw/zinc/38/34/76/209383476.db2.gz SDMNMICIKLXTAD-LBPRGKRZSA-N 0 0 387.936 6.068 50 30 GKEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000002749103 209382841 /nfs/dbraw/zinc/38/28/41/209382841.db2.gz QHYVQPOEPIHDLD-UHFFFAOYSA-N 0 0 395.311 5.213 50 30 GKEARN N#Cc1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 ZINC000002753009 209382080 /nfs/dbraw/zinc/38/20/80/209382080.db2.gz ZWLBADQEWHFLQA-UHFFFAOYSA-N 0 0 389.318 5.294 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2C1 ZINC000002736586 209381124 /nfs/dbraw/zinc/38/11/24/209381124.db2.gz WUOWSLGLIVTSAF-OQRGYWNNSA-N 0 0 378.541 5.910 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000002663046 209376702 /nfs/dbraw/zinc/37/67/02/209376702.db2.gz YAPYLKVAOHAWQD-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444563 209363755 /nfs/dbraw/zinc/36/37/55/209363755.db2.gz DMQUVQKOXOQIKN-UHFFFAOYSA-N 0 0 376.529 5.426 50 30 GKEARN CCOC(=O)c1c(/N=C/c2sc3ccccc3c2OC)sc2c1CCCC2 ZINC000002277521 209354518 /nfs/dbraw/zinc/35/45/18/209354518.db2.gz XJAJLLZSVKGEFV-WSDLNYQXSA-N 0 0 399.537 5.778 50 30 GKEARN CCCSc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2Cl)c1C#N ZINC000002235426 209351514 /nfs/dbraw/zinc/35/15/14/209351514.db2.gz MSFNBMKQEANSDC-UHFFFAOYSA-N 0 0 389.911 6.314 50 30 GKEARN CC[C@H](C)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002202848 209350409 /nfs/dbraw/zinc/35/04/09/209350409.db2.gz HOVPQAQUNRCPIN-YHAMSUFESA-N 0 0 397.543 7.067 50 30 GKEARN Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000002188330 209350386 /nfs/dbraw/zinc/35/03/86/209350386.db2.gz SKNAOBAPWSKIAR-BRJLIKDPSA-N 0 0 391.776 6.607 50 30 GKEARN N#Cc1c(SCc2ccccc2F)nsc1SCc1ccccc1F ZINC000002185948 209348939 /nfs/dbraw/zinc/34/89/39/209348939.db2.gz OAYOUPBHZNWUQU-UHFFFAOYSA-N 0 0 390.505 5.878 50 30 GKEARN CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2sc3c(c2C#N)CCCC3)O1 ZINC000002070637 209344823 /nfs/dbraw/zinc/34/48/23/209344823.db2.gz PLXNMQAEHDCQRR-VFSYRRJFSA-N 0 0 390.508 5.909 50 30 GKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000002062924 209344390 /nfs/dbraw/zinc/34/43/90/209344390.db2.gz NRMPNBLBWXEVOH-UHFFFAOYSA-N 0 0 385.504 5.133 50 30 GKEARN Cc1cccc(-c2nc3cc(/N=C/c4cccc(Cl)c4Cl)ccc3o2)c1 ZINC000001885104 209341382 /nfs/dbraw/zinc/34/13/82/209341382.db2.gz NVNOTMKJDJJVHI-WYMPLXKRSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(Cl)cc1 ZINC000001858057 209341440 /nfs/dbraw/zinc/34/14/40/209341440.db2.gz FCNPMQHWCMAXPZ-WSDLNYQXSA-N 0 0 380.904 5.225 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000001839022 209341101 /nfs/dbraw/zinc/34/11/01/209341101.db2.gz AVCDXLBQOHYDEQ-UHFFFAOYSA-N 0 0 379.504 5.775 50 30 GKEARN CCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000001866200 209340995 /nfs/dbraw/zinc/34/09/95/209340995.db2.gz AXCBIDNWXVUMAK-OAHLLOKOSA-N 0 0 382.529 5.422 50 30 GKEARN CC(C)(C)c1cc(C2=C(Cl)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000001788515 209340326 /nfs/dbraw/zinc/34/03/26/209340326.db2.gz PTHSANSKCAYXDD-UHFFFAOYSA-N 0 0 396.914 6.016 50 30 GKEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCc1cccc(Cl)c1 ZINC000001402681 209326150 /nfs/dbraw/zinc/32/61/50/209326150.db2.gz YXBBHGXEOGZPCT-UHFFFAOYSA-N 0 0 384.913 5.379 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000001435006 209328118 /nfs/dbraw/zinc/32/81/18/209328118.db2.gz BZZLDSXBIUMEJN-ZVHZXABRSA-N 0 0 386.407 5.041 50 30 GKEARN Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C(C#N)C#N)cc1 ZINC000001445611 209327833 /nfs/dbraw/zinc/32/78/33/209327833.db2.gz UHLJGOQBZSPDSD-ZCYQVOJMSA-N 0 0 396.515 5.786 50 30 GKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 ZINC000001435194 209327699 /nfs/dbraw/zinc/32/76/99/209327699.db2.gz OPNMBFQRPUXGKZ-BHGWPJFGSA-N 0 0 380.806 6.052 50 30 GKEARN Cc1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c(C)c([N+](=O)[O-])c1 ZINC000001438860 209327764 /nfs/dbraw/zinc/32/77/64/209327764.db2.gz ZHXJJMYTUNIQPF-RGVLZGJSSA-N 0 0 377.421 5.801 50 30 GKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000001231425 209316453 /nfs/dbraw/zinc/31/64/53/209316453.db2.gz XDGFECPBTPOFNN-KEBDBYFISA-N 0 0 377.421 5.801 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Br)sc2C1 ZINC000001217303 209316465 /nfs/dbraw/zinc/31/64/65/209316465.db2.gz AZPCCQVVLZMSBU-LLVKDONJSA-N 0 0 389.318 5.149 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001203805 209313888 /nfs/dbraw/zinc/31/38/88/209313888.db2.gz IMCSTOUGZDWKJG-JOCHJYFZSA-N 0 0 398.462 5.949 50 30 GKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001199361 209313037 /nfs/dbraw/zinc/31/30/37/209313037.db2.gz SQBJWHNRKHPMAE-NIYFSFCBSA-N 0 0 396.490 5.675 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000001169185 209310379 /nfs/dbraw/zinc/31/03/79/209310379.db2.gz HZBMEEXRWZJSOW-JOCHJYFZSA-N 0 0 380.875 5.257 50 30 GKEARN N#Cc1c(S[C@H]2CCCCC2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000001141350 209305583 /nfs/dbraw/zinc/30/55/83/209305583.db2.gz CMJALZODBFVTKZ-HNNXBMFYSA-N 0 0 382.432 5.304 50 30 GKEARN N#Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000001097231 209299742 /nfs/dbraw/zinc/29/97/42/209299742.db2.gz GATNLKUOHAKGBZ-XDHOZWIPSA-N 0 0 388.473 5.224 50 30 GKEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000001080502 209298630 /nfs/dbraw/zinc/29/86/30/209298630.db2.gz NSEBWRAIRNVQTO-HSZRJFAPSA-N 0 0 395.462 5.217 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001079609 209297968 /nfs/dbraw/zinc/29/79/68/209297968.db2.gz VARHKNLJRWRLBV-KRWDZBQOSA-N 0 0 395.449 5.437 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1 ZINC000001077606 209297927 /nfs/dbraw/zinc/29/79/27/209297927.db2.gz BATTWXKCODIJDU-DCFHFQCYSA-N 0 0 394.518 6.283 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000001076894 209296812 /nfs/dbraw/zinc/29/68/12/209296812.db2.gz ZTFPMUGGAUJJRF-SIBVEZHUSA-N 0 0 398.481 6.114 50 30 GKEARN CN(C)/C=C/C(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000001024193 209290185 /nfs/dbraw/zinc/29/01/85/209290185.db2.gz RXUNAUFCEJKSKK-AATRIKPKSA-N 0 0 377.284 5.242 50 30 GKEARN Fc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 ZINC000001021881 209288587 /nfs/dbraw/zinc/28/85/87/209288587.db2.gz WFVOCBBCSRCXAW-CVKSISIWSA-N 0 0 382.394 6.645 50 30 GKEARN N#Cc1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12 ZINC000001015552 209288602 /nfs/dbraw/zinc/28/86/02/209288602.db2.gz BKZKRQNKIINZFM-UHFFFAOYSA-N 0 0 375.653 5.008 50 30 GKEARN Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c(Br)c1 ZINC000001015010 209288669 /nfs/dbraw/zinc/28/86/69/209288669.db2.gz WYGJLVWHNSZPRG-UHFFFAOYSA-N 0 0 393.236 5.480 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(Br)c3)sc2C1 ZINC000000994627 209287907 /nfs/dbraw/zinc/28/79/07/209287907.db2.gz YNXWIJIRLHJRJF-NSHDSACASA-N 0 0 389.318 5.149 50 30 GKEARN N#Cc1cccc(Oc2ccc(Cl)c(Oc3cccc(C#N)c3C#N)c2)c1C#N ZINC000000991782 209286382 /nfs/dbraw/zinc/28/63/82/209286382.db2.gz ROZMWIRYWOTKSC-UHFFFAOYSA-N 0 0 396.793 5.411 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000000980608 209285122 /nfs/dbraw/zinc/28/51/22/209285122.db2.gz BDZKKERDTDEFPJ-UHFFFAOYSA-N 0 0 381.406 5.291 50 30 GKEARN COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O ZINC000000973707 209284342 /nfs/dbraw/zinc/28/43/42/209284342.db2.gz BNEXHICVPXWYLE-WYMPLXKRSA-N 0 0 392.842 5.921 50 30 GKEARN COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000000956915 209283391 /nfs/dbraw/zinc/28/33/91/209283391.db2.gz NZEIPPPVSWTQNG-QHCPKHFHSA-N 0 0 389.495 5.818 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000856586 209273550 /nfs/dbraw/zinc/27/35/50/209273550.db2.gz SZRHPNBUNPFIFI-NSYGIPOTSA-N 0 0 384.454 5.805 50 30 GKEARN O=C(c1ccc(Br)cc1)C1=C(N2CCCC2)CCc2ccccc21 ZINC000000721425 209262828 /nfs/dbraw/zinc/26/28/28/209262828.db2.gz FFCQOFCUUWRAPU-UHFFFAOYSA-N 0 0 382.301 5.085 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1cc(F)ccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000000709649 209262119 /nfs/dbraw/zinc/26/21/19/209262119.db2.gz KFMBBZVSPQVZTI-QFIPXVFZSA-N 0 0 382.454 5.804 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000000718193 209261372 /nfs/dbraw/zinc/26/13/72/209261372.db2.gz UWXHPTUWIKXTFX-FPTDNZKUSA-N 0 0 392.549 6.098 50 30 GKEARN COc1ccc(Cl)cc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N ZINC000000668979 209257091 /nfs/dbraw/zinc/25/70/91/209257091.db2.gz IXESFCMZPQKZAC-UHFFFAOYSA-N 0 0 382.872 5.510 50 30 GKEARN CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000629486 209251350 /nfs/dbraw/zinc/25/13/50/209251350.db2.gz HRRRUWAOYPPPDF-UHFFFAOYSA-N 0 0 391.555 5.783 50 30 GKEARN N#Cc1ccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000033466726 209244709 /nfs/dbraw/zinc/24/47/09/209244709.db2.gz KYWLNSAHDNVCQW-RIYZIHGNSA-N 0 0 395.896 5.734 50 30 GKEARN Cc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c(C)c1 ZINC000001947842 212260666 /nfs/dbraw/zinc/26/06/66/212260666.db2.gz VTCKFXUXKQESRA-ZVHZXABRSA-N 0 0 394.312 6.113 50 30 GKEARN CCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000001866199 212258128 /nfs/dbraw/zinc/25/81/28/212258128.db2.gz AXCBIDNWXVUMAK-HNNXBMFYSA-N 0 0 382.529 5.422 50 30 GKEARN CCCCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000001816096 212256645 /nfs/dbraw/zinc/25/66/45/212256645.db2.gz ZELOQKDGCNYPGU-YKSBVNFPSA-N 0 0 378.560 6.716 50 30 GKEARN N#Cc1c(SCc2ccc(Cl)cc2)nsc1Nc1ccc(Cl)cc1 ZINC000001572104 212250912 /nfs/dbraw/zinc/25/09/12/212250912.db2.gz ZXJUCCWALBELIZ-UHFFFAOYSA-N 0 0 392.336 6.357 50 30 GKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3cccc(C(F)(F)F)c3)o2)c1 ZINC000001433884 212245127 /nfs/dbraw/zinc/24/51/27/212245127.db2.gz SQQGTNKMGJETQF-AUEPDCJTSA-N 0 0 394.736 6.278 50 30 GKEARN Cc1cc(NCc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000001421411 212242948 /nfs/dbraw/zinc/24/29/48/212242948.db2.gz MMISDNMZMWPFEC-UHFFFAOYSA-N 0 0 381.266 5.587 50 30 GKEARN CSc1nc(Sc2ccc(Cl)cc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000001383178 212241913 /nfs/dbraw/zinc/24/19/13/212241913.db2.gz MFCLNIKDMLRZHE-UHFFFAOYSA-N 0 0 383.929 5.850 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001382437 212241451 /nfs/dbraw/zinc/24/14/51/212241451.db2.gz RNCREIPODMLXOZ-UHFFFAOYSA-N 0 0 398.409 5.981 50 30 GKEARN CCc1nc(SCc2cc3c(cc2Cl)OCO3)c(C#N)c2c1CCCC2 ZINC000001240487 212232218 /nfs/dbraw/zinc/23/22/18/212232218.db2.gz JUWPYJHOSDVHNA-UHFFFAOYSA-N 0 0 386.904 5.069 50 30 GKEARN Cc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1 ZINC000001229647 212230533 /nfs/dbraw/zinc/23/05/33/212230533.db2.gz WHDDWTCGGHUKQU-UHFFFAOYSA-N 0 0 393.899 5.805 50 30 GKEARN Cc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001213369 212230155 /nfs/dbraw/zinc/23/01/55/212230155.db2.gz MEEGYDZEVKBMFF-JOCHJYFZSA-N 0 0 393.527 5.085 50 30 GKEARN CCOC(=O)c1c(C)c(C)sc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000001194330 212228200 /nfs/dbraw/zinc/22/82/00/212228200.db2.gz JWYUATFRQICXSO-FOKLQQMPSA-N 0 0 397.496 5.623 50 30 GKEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)C(C)=Nc2nc3ccccc3n21 ZINC000001080703 212215424 /nfs/dbraw/zinc/21/54/24/212215424.db2.gz PSKAORLAFSLYAZ-QHCPKHFHSA-N 0 0 395.462 5.217 50 30 GKEARN COc1ccc2ccccc2c1/C=N/c1ccc(I)cc1 ZINC000001087233 212215549 /nfs/dbraw/zinc/21/55/49/212215549.db2.gz XKBSFKMVWZLCNT-UDWIEESQSA-N 0 0 387.220 5.204 50 30 GKEARN COc1ccccc1[C@H]1c2ccc3ncccc3c2NC2=C1C(=O)CC(C)(C)C2 ZINC000001078375 212214846 /nfs/dbraw/zinc/21/48/46/212214846.db2.gz DPUPJRVOBXOWPH-QFIPXVFZSA-N 0 0 384.479 5.444 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000001079917 212214771 /nfs/dbraw/zinc/21/47/71/212214771.db2.gz HUNDNSHRSQXESW-CQSZACIVSA-N 0 0 391.414 5.295 50 30 GKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC[C@H]1CCCCC1=O ZINC000001064769 212212863 /nfs/dbraw/zinc/21/28/63/212212863.db2.gz UTWVPFCMPGNRJZ-LLVKDONJSA-N 0 0 396.459 5.552 50 30 GKEARN Cn1c2ccccc2c2c1CCC/C2=N\OC(=O)c1ccc(Cl)cc1Cl ZINC000001036894 212208728 /nfs/dbraw/zinc/20/87/28/212208728.db2.gz KNYSZIJZRAHHBF-XQNSMLJCSA-N 0 0 387.266 5.383 50 30 GKEARN COc1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O ZINC000001051377 212211159 /nfs/dbraw/zinc/21/11/59/212211159.db2.gz FBTVGVPXHVTRIE-BHGWPJFGSA-N 0 0 396.805 5.752 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001018025 212205819 /nfs/dbraw/zinc/20/58/19/212205819.db2.gz BGTPOMVJGXNYOG-OAQYLSRUSA-N 0 0 399.918 5.184 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000001014920 212205410 /nfs/dbraw/zinc/20/54/10/212205410.db2.gz AWPYYZPHKNWAHT-UHFFFAOYSA-N 0 0 375.855 5.519 50 30 GKEARN Cc1sc(NC(=O)CSc2ccccc2)c(C#N)c1-c1ccc(F)cc1 ZINC000001003142 212204020 /nfs/dbraw/zinc/20/40/20/212204020.db2.gz JEOCLQDZJPWKGG-UHFFFAOYSA-N 0 0 382.485 5.465 50 30 GKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1cccc2ccccc21 ZINC000000970621 212201779 /nfs/dbraw/zinc/20/17/79/212201779.db2.gz RMVSXLTVPXTOTM-HHHXNRCGSA-N 0 0 375.471 6.666 50 30 GKEARN COc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000000970407 212201303 /nfs/dbraw/zinc/20/13/03/212201303.db2.gz LMRGUWDQLAILLJ-UHFFFAOYSA-N 0 0 380.484 5.095 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000856585 212189974 /nfs/dbraw/zinc/18/99/74/212189974.db2.gz SZRHPNBUNPFIFI-GKVSMKOHSA-N 0 0 384.454 5.805 50 30 GKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCS/C1=N\c1ccccc1 ZINC000000850573 212188163 /nfs/dbraw/zinc/18/81/63/212188163.db2.gz LFRFBJYMAGGQOZ-FXBPSFAMSA-N 0 0 380.300 5.652 50 30 GKEARN N#Cc1c(/N=C/c2ccc3c(c2)OCO3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000826207 212187541 /nfs/dbraw/zinc/18/75/41/212187541.db2.gz XWSQTBLWWQTBPW-JFLMPSFJSA-N 0 0 392.414 5.965 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000000712126 212177091 /nfs/dbraw/zinc/17/70/91/212177091.db2.gz RHCBWLYCGVYQIA-DEOSSOPVSA-N 0 0 398.462 6.058 50 30 GKEARN Cc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000709542 212176765 /nfs/dbraw/zinc/17/67/65/212176765.db2.gz SYXIJVMPCKGWHN-FQRUVTKNSA-N 0 0 380.491 5.975 50 30 GKEARN CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000000712018 212176676 /nfs/dbraw/zinc/17/66/76/212176676.db2.gz OREGEPJHSDJMIN-KEBDBYFISA-N 0 0 392.864 5.116 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000000708553 212176409 /nfs/dbraw/zinc/17/64/09/212176409.db2.gz LHXPQLNFYQHLEE-RUZDIDTESA-N 0 0 397.474 5.878 50 30 GKEARN COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1O ZINC000000714492 212176197 /nfs/dbraw/zinc/17/61/97/212176197.db2.gz RAJHMIGRLMUIIW-DEOSSOPVSA-N 0 0 399.490 5.864 50 30 GKEARN Cc1cc(Oc2cccc(C#N)c2C#N)cc(Oc2cccc(C#N)c2C#N)c1 ZINC000000639065 212168791 /nfs/dbraw/zinc/16/87/91/212168791.db2.gz UTEOSFZWKQSUEQ-UHFFFAOYSA-N 0 0 376.375 5.066 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(F)c1)Nc1ccccc1N2 ZINC000000630993 212167482 /nfs/dbraw/zinc/16/74/82/212167482.db2.gz ZWMXPQJDDQYUEK-IQGLISFBSA-N 0 0 384.454 5.805 50 30 GKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000631021 212167501 /nfs/dbraw/zinc/16/75/01/212167501.db2.gz NLALFYFKSFKNJL-JIPXPUAJSA-N 0 0 394.518 6.229 50 30 GKEARN O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1cccnc1 ZINC000008642636 212147968 /nfs/dbraw/zinc/14/79/68/212147968.db2.gz BPDXSHCHEPGWOV-UKWGHVSLSA-N 0 0 398.245 5.584 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3)ccc2C1=O ZINC000005215468 212147110 /nfs/dbraw/zinc/14/71/10/212147110.db2.gz QIYNQIQVHIILQR-ODLFYWEKSA-N 0 0 382.868 5.905 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000001293540 212144783 /nfs/dbraw/zinc/14/47/83/212144783.db2.gz LGOYQBBPCORYTC-IQGLISFBSA-N 0 0 397.478 5.070 50 30 biogenic GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]12 ZINC000169311949 212112824 /nfs/dbraw/zinc/11/28/24/212112824.db2.gz MECHNRXZTMCUDQ-OMTOCASOSA-N 0 0 396.659 7.641 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(CC)cc1)CCCC3 ZINC000002143291 212101791 /nfs/dbraw/zinc/10/17/91/212101791.db2.gz FMJHAODIPHPUHE-UHFFFAOYSA-N 0 0 382.554 5.167 50 30 GKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccncc1 ZINC000002448127 212101423 /nfs/dbraw/zinc/10/14/23/212101423.db2.gz IOEIBGVZMMGCBR-UHFFFAOYSA-N 0 0 377.300 5.125 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000000680235 212099622 /nfs/dbraw/zinc/09/96/22/212099622.db2.gz YZDCGRLTKATLFS-UHFFFAOYSA-N 0 0 382.554 5.303 50 30 GKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)SC1=S ZINC000013899467 212098623 /nfs/dbraw/zinc/09/86/23/212098623.db2.gz DELFEJVYNVIYTJ-YBEGLDIGSA-N 0 0 375.902 5.296 50 30 GKEARN C#CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002183050 212100787 /nfs/dbraw/zinc/10/07/87/212100787.db2.gz QPNZWJPETPYSLD-UHFFFAOYSA-N 0 0 390.552 5.119 50 30 biogenic GKEARN C=CCn1c(SCc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002372182 212100889 /nfs/dbraw/zinc/10/08/89/212100889.db2.gz BWPCMYBIDIKNFC-UHFFFAOYSA-N 0 0 382.554 5.124 50 30 GKEARN C=CCSc1nc2c(c(=O)[nH]1)[C@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000006728498 212082924 /nfs/dbraw/zinc/08/29/24/212082924.db2.gz ZZRZVSSMJLGXML-QHCPKHFHSA-N 0 0 380.557 5.499 50 30 GKEARN C=CCN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)c1ccccc1 ZINC000004959046 212079875 /nfs/dbraw/zinc/07/98/75/212079875.db2.gz FOISLJBDTZQIAQ-UHFFFAOYSA-N 0 0 381.431 5.293 50 30 GKEARN C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC ZINC000004698987 212079535 /nfs/dbraw/zinc/07/95/35/212079535.db2.gz MVMVSUFERQWMEM-QNGOZBTKSA-N 0 0 390.483 5.019 50 30 GKEARN C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C2CCCCC2)cc1 ZINC000005477597 212081352 /nfs/dbraw/zinc/08/13/52/212081352.db2.gz DJPOFNXKCQOATH-NRFANRHFSA-N 0 0 397.544 5.036 50 30 GKEARN C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(Oc2ccccc2)n1 ZINC000005697952 212080845 /nfs/dbraw/zinc/08/08/45/212080845.db2.gz ZGXCTXVBXOTWOL-UHFFFAOYSA-N 0 0 379.510 5.927 50 30 GKEARN O=C(c1cccc(C#Cc2ccccc2)c1)c1cccc(C#Cc2ccccc2)c1 ZINC000005772560 212080530 /nfs/dbraw/zinc/08/05/30/212080530.db2.gz SUIFPDDWWHYNGK-UHFFFAOYSA-N 0 0 382.462 5.717 50 30 GKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N/c1ccc(C)cc1 ZINC000101127229 212077418 /nfs/dbraw/zinc/07/74/18/212077418.db2.gz PECHGRNZFXIKAJ-ZNTNEXAZSA-N 0 0 377.513 5.210 50 30 GKEARN C=CCSc1nnc(-c2ccco2)n1-c1ccc(OCc2ccccc2)cc1 ZINC000004366570 212078491 /nfs/dbraw/zinc/07/84/91/212078491.db2.gz HLZCGFBQNWVFND-UHFFFAOYSA-N 0 0 389.480 5.384 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257350612 212029616 /nfs/dbraw/zinc/02/96/16/212029616.db2.gz YSHCPAAHOVSKSB-PWRNOJCPSA-N 0 0 386.664 7.629 50 30 GKEARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34O[C@@H]3C[C@H]3CCCC[C@@]3(C)[C@H]4CC[C@@]21C ZINC000257349913 212029261 /nfs/dbraw/zinc/02/92/61/212029261.db2.gz SLVVDBKKWZJQDM-YIOVUXSDSA-N 0 0 398.675 7.651 50 30 GKEARN N#Cc1ncc(C(F)(F)F)cc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000261494857 212028929 /nfs/dbraw/zinc/02/89/29/212028929.db2.gz MRNUWFXCKVJUPQ-UHFFFAOYSA-N 0 0 383.704 5.190 50 30 GKEARN C=CCSc1nnc2c3c(ncn12)[C@@H]1C2=C(CCC2)C(CCCC)=N[C@@H]1S3 ZINC000006309929 203756386 /nfs/dbraw/zinc/75/63/86/203756386.db2.gz RTFJTRXIXUBGLF-HNAYVOBHSA-N 0 0 397.573 5.043 50 30 GKEARN C=CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccccc1 ZINC000004939422 203756511 /nfs/dbraw/zinc/75/65/11/203756511.db2.gz OSNQZCGTOHKOMS-UHFFFAOYSA-N 0 0 375.449 5.149 50 30 GKEARN 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N#Cc1c(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 ZINC000004628367 204059540 /nfs/dbraw/zinc/05/95/40/204059540.db2.gz BQJCWDUOVQUGSY-CLFYSBASSA-N 0 0 391.323 5.847 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004665058 204060229 /nfs/dbraw/zinc/06/02/29/204060229.db2.gz PBCGZUSOGHOXAP-QFIPXVFZSA-N 0 0 383.495 5.381 50 30 GKEARN CCCCCCOc1cc(CC#N)c(OCCCCCC)cc1Br ZINC000004664692 204061167 /nfs/dbraw/zinc/06/11/67/204061167.db2.gz RQESUENQBJYKGI-UHFFFAOYSA-N 0 0 396.369 6.433 50 30 GKEARN Clc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Cl)c1 ZINC000004677680 204062637 /nfs/dbraw/zinc/06/26/37/204062637.db2.gz XFSSICLEMNRHKC-DHRITJCHSA-N 0 0 379.290 6.747 50 30 GKEARN N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 ZINC000004690999 204063894 /nfs/dbraw/zinc/06/38/94/204063894.db2.gz IDYICPYADAZMQD-UDWIEESQSA-N 0 0 392.480 5.435 50 30 GKEARN Brc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000005124853 204113044 /nfs/dbraw/zinc/11/30/44/204113044.db2.gz 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Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1Cl ZINC000005930708 204157885 /nfs/dbraw/zinc/15/78/85/204157885.db2.gz VGYGCEJXALZPEL-UHFFFAOYSA-N 0 0 375.819 5.026 50 30 GKEARN CC(=O)c1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 ZINC000005383501 204129495 /nfs/dbraw/zinc/12/94/95/204129495.db2.gz TUCYUEAWHWVVIP-UHFFFAOYSA-N 0 0 391.511 5.386 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccnc4)c3c2C1 ZINC000005501453 204135859 /nfs/dbraw/zinc/13/58/59/204135859.db2.gz DMGLGECMNSEBFP-HURLIOHXSA-N 0 0 379.533 5.073 50 30 GKEARN Cc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 ZINC000005530866 204138708 /nfs/dbraw/zinc/13/87/08/204138708.db2.gz SOCFKPYFLDHHSU-ZDLGFXPLSA-N 0 0 381.888 5.032 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1ccc(OC(F)F)cc1 ZINC000006341284 204174437 /nfs/dbraw/zinc/17/44/37/204174437.db2.gz QUIMJEXSOJCBLC-PZNLSKEWSA-N 0 0 378.374 5.688 50 30 GKEARN O=C(Cc1c(Cl)cccc1Cl)N1CCCS/C1=N\Cc1ccccc1 ZINC000006474769 204179526 /nfs/dbraw/zinc/17/95/26/204179526.db2.gz NXVPPMOPTGIEHM-QOCHGBHMSA-N 0 0 393.339 5.058 50 30 GKEARN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006540758 204182614 /nfs/dbraw/zinc/18/26/14/204182614.db2.gz ZKXNOZQTPTYWFW-KRWDZBQOSA-N 0 0 386.451 5.030 50 30 GKEARN Cc1occc1-c1nnc(SCc2ccc(C#N)cc2)n1Cc1ccccc1 ZINC000006532202 204182790 /nfs/dbraw/zinc/18/27/90/204182790.db2.gz PEIWDMHCAOSUBI-UHFFFAOYSA-N 0 0 386.480 5.059 50 30 GKEARN N#CCCn1c2ccccc2nc1SCc1cc2ccccc2nc1Cl ZINC000006653672 204188853 /nfs/dbraw/zinc/18/88/53/204188853.db2.gz YQLGTSWXHSHADO-UHFFFAOYSA-N 0 0 378.888 5.444 50 30 GKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000006720407 204194763 /nfs/dbraw/zinc/19/47/63/204194763.db2.gz CNUZLGKGRBBDMD-XMMPIXPASA-N 0 0 390.483 5.002 50 30 GKEARN N#Cc1cnn2c(NC3CCCCCC3)c(-c3cccc(Br)c3)[nH]c12 ZINC000006768405 204202733 /nfs/dbraw/zinc/20/27/33/204202733.db2.gz HWJQPLDTFOZFGG-UHFFFAOYSA-N 0 0 398.308 5.098 50 30 GKEARN Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C#N)c(C)c1C ZINC000007058923 204231307 /nfs/dbraw/zinc/23/13/07/204231307.db2.gz BZGYOYHJZFXLOP-UHFFFAOYSA-N 0 0 395.572 5.856 50 30 GKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1cccnc1 ZINC000007778764 204250343 /nfs/dbraw/zinc/25/03/43/204250343.db2.gz DOSBQOVSAZMDHO-JOCHJYFZSA-N 0 0 392.466 5.117 50 30 GKEARN C[C@H](Nc1oc(-c2ccc(COc3ccccc3)o2)nc1C#N)c1ccccc1 ZINC000008654587 204281608 /nfs/dbraw/zinc/28/16/08/204281608.db2.gz LGRVWJGSDAOWFU-INIZCTEOSA-N 0 0 385.423 5.558 50 30 GKEARN FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2Cl)c(Cl)c1 ZINC000008692230 204282998 /nfs/dbraw/zinc/28/29/98/204282998.db2.gz KXLWGISGAYOVMY-UHFFFAOYSA-N 0 0 381.210 5.132 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1ccc(Br)cc1 ZINC000012339530 204398800 /nfs/dbraw/zinc/39/88/00/204398800.db2.gz BOYUWRVHTCLLJC-PZNLSKEWSA-N 0 0 391.264 5.849 50 30 GKEARN C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000002373490 209171310 /nfs/dbraw/zinc/17/13/10/209171310.db2.gz PFOBAAIARNFSDM-QFIPXVFZSA-N 0 0 376.858 6.822 50 30 GKEARN C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002315010 209171068 /nfs/dbraw/zinc/17/10/68/209171068.db2.gz VVRRDZZZIKZOCA-UHFFFAOYSA-N 0 0 392.590 5.024 50 30 GKEARN C=CCn1c(=O)cc(C(F)(F)F)nc1SCc1ccc(Cl)cc1Cl ZINC000001403053 209168487 /nfs/dbraw/zinc/16/84/87/209168487.db2.gz KCTAVLMNFRVERJ-UHFFFAOYSA-N 0 0 395.233 5.047 50 30 GKEARN C=CCn1c(=S)n(CN2CCC[C@H]2c2ccccc2)nc1-c1ccccc1 ZINC000012764847 209162800 /nfs/dbraw/zinc/16/28/00/209162800.db2.gz HKTWBTDEINBHCV-FQEVSTJZSA-N 0 0 376.529 5.062 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1cccc(F)c1)c1ccccc1N2 ZINC000015826349 204578536 /nfs/dbraw/zinc/57/85/36/204578536.db2.gz FUVMXFJIEPHZHU-DEOSSOPVSA-N 0 0 388.442 5.599 50 30 GKEARN O=C1N/C(=N\c2cc(Cl)cc(Cl)c2)S/C1=C\c1c[nH]c2ccccc12 ZINC000016946582 204604140 /nfs/dbraw/zinc/60/41/40/204604140.db2.gz YPGKAUICNLTEKA-BNCCVWRVSA-N 0 0 388.279 5.366 50 30 GKEARN CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820426 204686176 /nfs/dbraw/zinc/68/61/76/204686176.db2.gz SIQKRTXMYGQOET-HNAYVOBHSA-N 0 0 394.588 6.025 50 30 GKEARN O=C(CN1CCc2sccc2C1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000024114430 204817155 /nfs/dbraw/zinc/81/71/55/204817155.db2.gz XYIXXFZORFCQLF-UHFFFAOYSA-N 0 0 395.509 5.264 50 30 GKEARN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)cc1 ZINC000036253949 205009843 /nfs/dbraw/zinc/00/98/43/205009843.db2.gz LMRXOUAVWALNLI-OAHLLOKOSA-N 0 0 376.456 5.340 50 30 GKEARN Fc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(F)cc4)o3)o2)cc1 ZINC000026841372 211842137 /nfs/dbraw/zinc/84/21/37/211842137.db2.gz OFUZNDVMCASCHQ-BKHCZYBLSA-N 0 0 376.362 5.938 50 30 GKEARN N#Cc1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 ZINC000058987407 205178652 /nfs/dbraw/zinc/17/86/52/205178652.db2.gz MICCYEOISZRUHZ-UHFFFAOYSA-N 0 0 384.222 5.305 50 30 GKEARN CCCCCCCCCCCCSc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000096022808 205518031 /nfs/dbraw/zinc/51/80/31/205518031.db2.gz ANERJTMKGMFYBF-UHFFFAOYSA-N 0 0 381.538 6.394 50 30 GKEARN COc1ccc2c(c1)[C@@H](C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 ZINC000098065414 205600786 /nfs/dbraw/zinc/60/07/86/205600786.db2.gz JRVWXXVRFDVNST-FQEVSTJZSA-N 0 0 396.483 5.016 50 30 GKEARN CSc1nc(Nc2ccc(F)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607393 205770914 /nfs/dbraw/zinc/77/09/14/205770914.db2.gz JDWFPYSPAPGBNL-UHFFFAOYSA-N 0 0 384.867 5.582 50 30 GKEARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000032988550 206098950 /nfs/dbraw/zinc/09/89/50/206098950.db2.gz CXEQMDZOGOLCQS-KQDNUWKFSA-N 0 0 386.520 5.293 50 30 GKEARN Cc1ccc(C(=O)/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3o2)cc1 ZINC000012948369 211693468 /nfs/dbraw/zinc/69/34/68/211693468.db2.gz UXJXCJSRFNNHEK-PDGQHHTCSA-N 0 0 383.403 5.288 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@@H]3CC[C@]21C ZINC000257357500 206183746 /nfs/dbraw/zinc/18/37/46/206183746.db2.gz OJFSRAVBTAGBIM-BLDVDVARSA-N 0 0 386.664 7.629 50 30 GKEARN C=CCCCCCCCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004759450 206227875 /nfs/dbraw/zinc/22/78/75/206227875.db2.gz FBIFTSUMBYVEJC-UHFFFAOYSA-N 0 0 397.946 6.816 50 30 GKEARN C=C(C)CSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCCC3 ZINC000004822795 206228847 /nfs/dbraw/zinc/22/88/47/206228847.db2.gz UIXKJFWMEBFDGH-UHFFFAOYSA-N 0 0 383.586 6.129 50 30 GKEARN C=CCSc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005283148 206228895 /nfs/dbraw/zinc/22/88/95/206228895.db2.gz ZKKOGRQGQKOUJC-UHFFFAOYSA-N 0 0 383.256 5.432 50 30 GKEARN C=CCc1c2occ(-c3ccc(OC)cc3)c2cc2c3ccccc3c(=O)oc21 ZINC000005235535 206228950 /nfs/dbraw/zinc/22/89/50/206228950.db2.gz VHCAUUZIKNCWIG-UHFFFAOYSA-N 0 0 382.415 6.097 50 30 GKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005500685 206229325 /nfs/dbraw/zinc/22/93/25/206229325.db2.gz CDGOKFDKTLMGPO-UHFFFAOYSA-N 0 0 381.520 5.860 50 30 GKEARN C=CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 ZINC000007166472 206230091 /nfs/dbraw/zinc/23/00/91/206230091.db2.gz VYUYWXOLWXAWOU-UHFFFAOYSA-N 0 0 388.414 5.662 50 30 GKEARN C=C(Br)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000001201925 206248267 /nfs/dbraw/zinc/24/82/67/206248267.db2.gz ZNAGTRXFEJWWMO-UHFFFAOYSA-N 0 0 393.284 5.677 50 30 GKEARN C=CCn1c(SCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000001814176 206248837 /nfs/dbraw/zinc/24/88/37/206248837.db2.gz BTGDGDJMJBASNW-UHFFFAOYSA-N 0 0 380.557 5.356 50 30 biogenic GKEARN C=C(C)Cn1c(SCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002272871 206249393 /nfs/dbraw/zinc/24/93/93/206249393.db2.gz XHCBMZQWEIMHED-UHFFFAOYSA-N 0 0 396.581 5.692 50 30 GKEARN C=CCSc1nccc(-c2sc3sc(Br)c(C)c3c2C)n1 ZINC000002152677 206249553 /nfs/dbraw/zinc/24/95/53/206249553.db2.gz LQUBUOPFXJSSQJ-UHFFFAOYSA-N 0 0 397.388 6.077 50 30 GKEARN C=CCn1c(SCc2cc(C)ccc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002382397 206250079 /nfs/dbraw/zinc/25/00/79/206250079.db2.gz LJGLFVRPHVDOCN-UHFFFAOYSA-N 0 0 396.581 5.432 50 30 GKEARN CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004538407 206293029 /nfs/dbraw/zinc/29/30/29/206293029.db2.gz PPYHLSBUTAPNGT-BKWLFHPQSA-N 0 0 386.576 5.866 50 30 in-vitro GKEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000009053849 206294928 /nfs/dbraw/zinc/29/49/28/206294928.db2.gz LDNQDRLZPSJHPZ-JLPGSUDCSA-N 0 0 397.474 5.271 50 30 GKEARN N#C[C@H](c1ccc(Cl)cc1Cl)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624514 206308779 /nfs/dbraw/zinc/30/87/79/206308779.db2.gz XSJFRQQBUYAFHC-LEWJYISDSA-N 0 0 394.301 6.657 50 30 GKEARN N#C[C@]1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000629042 206309443 /nfs/dbraw/zinc/30/94/43/206309443.db2.gz XAOLJOPFKCXITG-XMMPIXPASA-N 0 0 384.866 5.428 50 30 aggregator GKEARN COc1cc(OC)c(/C=N/c2ccc(Cl)cc2Cl)cc1Br ZINC000000647450 206311905 /nfs/dbraw/zinc/31/19/05/206311905.db2.gz YSEMPLMEIVDSAB-UFWORHAWSA-N 0 0 389.076 5.524 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000674185 206315052 /nfs/dbraw/zinc/31/50/52/206315052.db2.gz QLGXYOQYBOCYLS-OAQYLSRUSA-N 0 0 377.444 5.125 50 30 GKEARN CCOc1ccc2ccccc2c1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000679863 206316145 /nfs/dbraw/zinc/31/61/45/206316145.db2.gz VEUUYPMXAJMVEE-UHFFFAOYSA-N 0 0 376.481 5.303 50 30 GKEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000703880 206318116 /nfs/dbraw/zinc/31/81/16/206318116.db2.gz FYWSEXZQRZLZSV-UHFFFAOYSA-N 0 0 397.261 5.550 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1c(F)cccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000000709746 206318204 /nfs/dbraw/zinc/31/82/04/206318204.db2.gz WCWJOZKUQGPSIC-JOCHJYFZSA-N 0 0 382.454 5.804 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000720485 206318564 /nfs/dbraw/zinc/31/85/64/206318564.db2.gz DXENZYXDGKOORP-FQEVSTJZSA-N 0 0 386.948 6.240 50 30 GKEARN COc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000000796467 206321130 /nfs/dbraw/zinc/32/11/30/206321130.db2.gz QZFRUQQBCQKZLN-QFIPXVFZSA-N 0 0 392.499 5.240 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000795674 206321540 /nfs/dbraw/zinc/32/15/40/206321540.db2.gz VZHOTMWUFKXBAK-WNSKOXEYSA-N 0 0 390.870 5.913 50 30 GKEARN Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)cc1Cl ZINC000000809281 206323084 /nfs/dbraw/zinc/32/30/84/206323084.db2.gz RZTZWTUZTLQBOJ-DJKKODMXSA-N 0 0 397.839 6.146 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3cccs3)sc2C1 ZINC000034903566 206323381 /nfs/dbraw/zinc/32/33/81/206323381.db2.gz JZHARFAGUZBPOZ-QQBNSCQMSA-N 0 0 384.570 5.874 50 30 GKEARN Cc1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C#N)c1C ZINC000000822251 206323598 /nfs/dbraw/zinc/32/35/98/206323598.db2.gz GARDFOJAXJZSDA-UHFFFAOYSA-N 0 0 383.476 5.704 50 30 GKEARN CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CCCC2 ZINC000000830891 206325519 /nfs/dbraw/zinc/32/55/19/206325519.db2.gz FARFZLRGHSZJQP-YDZHTSKRSA-N 0 0 379.481 5.413 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000856584 206327904 /nfs/dbraw/zinc/32/79/04/206327904.db2.gz SZRHPNBUNPFIFI-CRICUBBOSA-N 0 0 384.454 5.805 50 30 GKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2cc3ccccc3o2)cc1C ZINC000000945303 206335468 /nfs/dbraw/zinc/33/54/68/206335468.db2.gz YIIFJLLPSIFLFZ-IZZNHLLZSA-N 0 0 398.458 5.951 50 30 GKEARN Cc1ccccc1N1C(=O)CC[C@]1(C#N)c1ccccc1OCc1ccccc1 ZINC000000987626 206339232 /nfs/dbraw/zinc/33/92/32/206339232.db2.gz KCFYGBILWSQYGS-VWLOTQADSA-N 0 0 382.463 5.120 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(Cl)cccc1Cl ZINC000000997714 206340990 /nfs/dbraw/zinc/34/09/90/206340990.db2.gz YSZBAYSFEJJUJJ-HXUWFJFHSA-N 0 0 387.310 6.215 50 30 GKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H]1CCCO1 ZINC000001049278 206345298 /nfs/dbraw/zinc/34/52/98/206345298.db2.gz PBPPASXCOPJRQG-QFBILLFUSA-N 0 0 389.282 5.075 50 30 GKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H]1CCCO1 ZINC000001049280 206346061 /nfs/dbraw/zinc/34/60/61/206346061.db2.gz PBPPASXCOPJRQG-LPHOPBHVSA-N 0 0 389.282 5.075 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000001052393 206346550 /nfs/dbraw/zinc/34/65/50/206346550.db2.gz BDDUJIQUOBUASX-ZVHZXABRSA-N 0 0 386.407 5.041 50 30 biogenic GKEARN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001058302 206347025 /nfs/dbraw/zinc/34/70/25/206347025.db2.gz OBTDTAYVYODUTL-BKUYFWCQSA-N 0 0 389.432 5.503 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000001068025 206347952 /nfs/dbraw/zinc/34/79/52/206347952.db2.gz YJMNXFXVEFSOHT-NPMXOYFQSA-N 0 0 390.483 5.867 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000001068023 206348622 /nfs/dbraw/zinc/34/86/22/206348622.db2.gz YJMNXFXVEFSOHT-WNSKOXEYSA-N 0 0 390.483 5.867 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccsc1 ZINC000001079628 206349268 /nfs/dbraw/zinc/34/92/68/206349268.db2.gz BZHFHROMCYTTOB-AWEZNQCLSA-N 0 0 387.451 5.190 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1 ZINC000001077615 206349453 /nfs/dbraw/zinc/34/94/53/206349453.db2.gz KKUYRVOWKGLJEO-JIPXPUAJSA-N 0 0 394.518 6.283 50 30 GKEARN CC1(C)Cc2nc(SCc3ccc(Cl)cc3Cl)c(C#N)cc2C(=O)C1 ZINC000001305063 206371738 /nfs/dbraw/zinc/37/17/38/206371738.db2.gz KYAWNYNIDBFZKC-UHFFFAOYSA-N 0 0 391.323 5.707 50 30 GKEARN Cc1c(C#N)c(Sc2ccccc2NC(=O)c2ccccc2)nc2ccccc12 ZINC000001324165 206373325 /nfs/dbraw/zinc/37/33/25/206373325.db2.gz RNRABFJHEAUJPQ-UHFFFAOYSA-N 0 0 395.487 5.818 50 30 GKEARN Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001383032 206376391 /nfs/dbraw/zinc/37/63/91/206376391.db2.gz XKYMYQOBWDEAMJ-UHFFFAOYSA-N 0 0 378.884 5.924 50 30 GKEARN COc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001423235 206380554 /nfs/dbraw/zinc/38/05/54/206380554.db2.gz CWXLXUUESSHARQ-JOCHJYFZSA-N 0 0 384.479 5.444 50 30 GKEARN Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C(C#N)C#N)cc1 ZINC000001445613 206382365 /nfs/dbraw/zinc/38/23/65/206382365.db2.gz UHLJGOQBZSPDSD-NOZRDPDXSA-N 0 0 396.515 5.786 50 30 GKEARN O=C1c2ccccc2CC/C1=C\c1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000001556890 206385698 /nfs/dbraw/zinc/38/56/98/206385698.db2.gz UEUYNBPEENYAII-QFFDILLMSA-N 0 0 390.482 6.112 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2ccccc2c1 ZINC000001140779 206358973 /nfs/dbraw/zinc/35/89/73/206358973.db2.gz XPBDAKSBTLAVAT-UHFFFAOYSA-N 0 0 380.472 6.115 50 30 aggregator GKEARN Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000001209059 206368383 /nfs/dbraw/zinc/36/83/83/206368383.db2.gz INACMJWRRNSPSJ-UHFFFAOYSA-N 0 0 380.407 5.499 50 30 GKEARN COc1c(C)cccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000001841845 206393615 /nfs/dbraw/zinc/39/36/15/206393615.db2.gz QSOCOHIYSDFBBZ-AWEZNQCLSA-N 0 0 382.529 5.340 50 30 GKEARN Cc1ccc(C)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 ZINC000001947844 206395119 /nfs/dbraw/zinc/39/51/19/206395119.db2.gz FLEVAFIBCKMQLW-ZVHZXABRSA-N 0 0 394.312 6.113 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000002075611 206397374 /nfs/dbraw/zinc/39/73/74/206397374.db2.gz IXHHQPHYZWAZAE-VULFUBBASA-N 0 0 384.479 5.361 50 30 GKEARN CCCCCCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002082081 206398258 /nfs/dbraw/zinc/39/82/58/206398258.db2.gz DTDPIIRGRBZQTJ-UHFFFAOYSA-N 0 0 394.946 6.564 50 30 GKEARN CC(C)CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000002768985 206433491 /nfs/dbraw/zinc/43/34/91/206433491.db2.gz PAINUDHOTVJQRF-UHFFFAOYSA-N 0 0 398.528 5.148 50 30 GKEARN COc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1Cl ZINC000003011781 206453541 /nfs/dbraw/zinc/45/35/41/206453541.db2.gz CJOGREJAIRCXND-WYMPLXKRSA-N 0 0 396.899 6.171 50 30 GKEARN Cc1ccc2oc(-c3cccc(/N=C/c4c(O)cc(C)c(Cl)c4C)c3)nc2c1 ZINC000003084974 206457579 /nfs/dbraw/zinc/45/75/79/206457579.db2.gz UTFLVOAIQNAKBD-BRJLIKDPSA-N 0 0 390.870 6.530 50 30 GKEARN N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003133084 206458480 /nfs/dbraw/zinc/45/84/80/206458480.db2.gz OOCPVMNTAXZQQD-UHFFFAOYSA-N 0 0 389.669 5.395 50 30 GKEARN COc1ccc(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)cc1Cl ZINC000003115287 206459003 /nfs/dbraw/zinc/45/90/03/206459003.db2.gz YFZGXQSYFHASES-ZMOGYAJESA-N 0 0 376.843 6.216 50 30 GKEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000004176522 206505862 /nfs/dbraw/zinc/50/58/62/206505862.db2.gz SFBPSXHHMXLTOL-UHFFFAOYSA-N 0 0 397.459 5.726 50 30 GKEARN CC(=NOC(=O)Nc1ccc(Cl)cc1)c1sc2ccc(Cl)cc2c1C ZINC000004365618 206517971 /nfs/dbraw/zinc/51/79/71/206517971.db2.gz YSVFHVIJQNGGKE-SSDVNMTOSA-N 0 0 393.295 6.489 50 30 GKEARN Cc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000004547729 206527022 /nfs/dbraw/zinc/52/70/22/206527022.db2.gz HQQQXDUHSWRFNX-KOJZRSEWSA-N 0 0 386.579 7.412 50 30 GKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccncc1 ZINC000004973566 206578840 /nfs/dbraw/zinc/57/88/40/206578840.db2.gz BUNNUHHJZKHAIH-NSYGIPOTSA-N 0 0 397.478 5.070 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccnc4)c3c2C1 ZINC000005501547 206616005 /nfs/dbraw/zinc/61/60/05/206616005.db2.gz DMGLGECMNSEBFP-FCUAXUHVSA-N 0 0 379.533 5.073 50 30 GKEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000005406945 206609830 /nfs/dbraw/zinc/60/98/30/206609830.db2.gz BDNHKOIJQCTTKP-CJAUYULYSA-N 0 0 396.490 5.186 50 30 GKEARN N#Cc1c(C=CNc2ccc(F)cc2F)onc1-c1c(Cl)cccc1Cl ZINC000100411640 211387250 /nfs/dbraw/zinc/38/72/50/211387250.db2.gz RMOILXCEWVVXHG-VOTSOKGWSA-N 0 0 392.192 5.881 50 30 GKEARN S=C1N=NC(c2cccc(Cl)c2)N1N=CC(Cl)=Cc1ccccc1 ZINC000006192647 206644519 /nfs/dbraw/zinc/64/45/19/206644519.db2.gz ZJJHAUTVXSLYQK-MCAKNHNZSA-N 0 0 375.284 5.001 50 30 GKEARN O=C(/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1)c1ccccc1 ZINC000006227473 206645742 /nfs/dbraw/zinc/64/57/42/206645742.db2.gz WNLOGQNAMVPZJH-JXAWBTAJSA-N 0 0 399.471 5.491 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097105042 211358883 /nfs/dbraw/zinc/35/88/83/211358883.db2.gz PPBRODYKQVLJPV-DYESRHJHSA-N 0 0 386.850 5.107 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccc3ncccc3c12 ZINC000006728305 206666951 /nfs/dbraw/zinc/66/69/51/206666951.db2.gz ZRSXTRIKILSITR-JOCHJYFZSA-N 0 0 395.289 6.215 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccco1 ZINC000006782455 206675531 /nfs/dbraw/zinc/67/55/31/206675531.db2.gz JWYFYGIIKUYQNK-RUZDIDTESA-N 0 0 398.506 6.096 50 30 GKEARN CC(C)Oc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000006768733 206674696 /nfs/dbraw/zinc/67/46/96/206674696.db2.gz XPAKJOBFCBLHEQ-JXXFODFXSA-N 0 0 391.519 5.225 50 30 GKEARN N#Cc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 ZINC000051102976 211216159 /nfs/dbraw/zinc/21/61/59/211216159.db2.gz FSGNXZLDRYLASP-LGMDPLHJSA-N 0 0 378.460 5.633 50 30 GKEARN N#Cc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1 ZINC000089851111 211186334 /nfs/dbraw/zinc/18/63/34/211186334.db2.gz VZZUOUBONAJKQF-UHFFFAOYSA-N 0 0 385.264 6.203 50 30 GKEARN O=C1NC(=Nc2ccccc2C(F)(F)F)SC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000006926878 206693867 /nfs/dbraw/zinc/69/38/67/206693867.db2.gz YMZBNAGOLPTMBW-NTEUORMPSA-N 0 0 393.346 5.346 50 30 GKEARN Cc1nc(SCC(=O)N[C@@H](C)c2cccc3ccccc32)c(C#N)c(C)c1C ZINC000007097457 206703174 /nfs/dbraw/zinc/70/31/74/206703174.db2.gz BCBLDFNVKSTJAT-KRWDZBQOSA-N 0 0 389.524 5.001 50 30 GKEARN CC[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 ZINC000061997203 210932530 /nfs/dbraw/zinc/93/25/30/210932530.db2.gz BTWYXJRMSASGSJ-GFCCVEGCSA-N 0 0 386.249 5.174 50 30 GKEARN N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCCC1 ZINC000013831731 207001294 /nfs/dbraw/zinc/00/12/94/207001294.db2.gz YUFYUZXGAQWGES-UHFFFAOYSA-N 0 0 379.847 5.046 50 30 GKEARN CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCC ZINC000043552983 210808295 /nfs/dbraw/zinc/80/82/95/210808295.db2.gz VUMHYWBWYSPQMM-XZOQPEGZSA-N 0 0 399.660 5.886 50 30 in-vitro GKEARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(C#N)cc1F ZINC000016282648 207074677 /nfs/dbraw/zinc/07/46/77/207074677.db2.gz APLZCUBADDKKPW-UHFFFAOYSA-N 0 0 387.439 5.535 50 30 GKEARN CSc1sc(C(=O)Nc2ccccc2Cl)c(-c2cccs2)c1C#N ZINC000036048338 210706311 /nfs/dbraw/zinc/70/63/11/210706311.db2.gz SRMNNIASQLFERL-UHFFFAOYSA-N 0 0 390.942 5.976 50 30 GKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197820 207094853 /nfs/dbraw/zinc/09/48/53/207094853.db2.gz MMUZTYCZLMLMFX-UKRRQHHQSA-N 0 0 375.497 5.172 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Cl)c3)C12 ZINC000018179652 207093716 /nfs/dbraw/zinc/09/37/16/207093716.db2.gz ILHKFPUGXJCVJH-QFIPXVFZSA-N 0 0 375.880 6.207 50 30 GKEARN Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197796 207095142 /nfs/dbraw/zinc/09/51/42/207095142.db2.gz AQQLIJICJLICLL-BFUOFWGJSA-N 0 0 395.915 5.391 50 30 GKEARN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000018255125 207096612 /nfs/dbraw/zinc/09/66/12/207096612.db2.gz PBIPOGWMPFXYTM-WOJGMQOQSA-N 0 0 398.846 5.631 50 30 GKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000018272325 207098010 /nfs/dbraw/zinc/09/80/10/207098010.db2.gz JNSGUJLZQTZVGY-UNOMPAQXSA-N 0 0 394.883 5.800 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cccn1-c1ccccc1 ZINC000018325320 207098704 /nfs/dbraw/zinc/09/87/04/207098704.db2.gz GNBPGBOTGRPARZ-AQTBWJFISA-N 0 0 379.872 5.022 50 30 GKEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCc3ccccc32)n1 ZINC000019820506 207164953 /nfs/dbraw/zinc/16/49/53/207164953.db2.gz VXICQEYIDGNPJF-UHFFFAOYSA-N 0 0 392.915 5.475 50 30 GKEARN CSc1nc(NC2CCCCC2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820373 207165197 /nfs/dbraw/zinc/16/51/97/207165197.db2.gz WTOCLIBBOPYQQJ-UHFFFAOYSA-N 0 0 380.561 5.779 50 30 GKEARN CSc1nc(NCCc2ccc(F)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820630 207165284 /nfs/dbraw/zinc/16/52/84/207165284.db2.gz MWORCKHQULUDPB-UHFFFAOYSA-N 0 0 398.894 5.184 50 30 GKEARN CCc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000019820540 207165333 /nfs/dbraw/zinc/16/53/33/207165333.db2.gz LOVNUOYOSJZUOD-UHFFFAOYSA-N 0 0 380.904 5.697 50 30 GKEARN CC(C)N1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000020115402 207179198 /nfs/dbraw/zinc/17/91/98/207179198.db2.gz SGSHBMOMHVAQLF-ZAORYEFMSA-N 0 0 386.322 5.754 50 30 GKEARN CCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl ZINC000027663177 207328736 /nfs/dbraw/zinc/32/87/36/207328736.db2.gz YKOUNZIFSCQIOC-UHFFFAOYSA-N 0 0 395.311 5.456 50 30 GKEARN N#Cc1ccc(C(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1 ZINC000033115618 207439194 /nfs/dbraw/zinc/43/91/94/207439194.db2.gz WFUUUESILKBYIG-QHCPKHFHSA-N 0 0 395.487 5.156 50 30 GKEARN CC(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2cccc(C#N)c2)n1 ZINC000036349810 207524450 /nfs/dbraw/zinc/52/44/50/207524450.db2.gz YOINKCTZGKPQBO-UHFFFAOYSA-N 0 0 397.450 5.834 50 30 GKEARN Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000053483696 207723990 /nfs/dbraw/zinc/72/39/90/207723990.db2.gz IGYGZALPHSCLEQ-UHFFFAOYSA-N 0 0 397.434 5.669 50 30 GKEARN C#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000003119795 207784986 /nfs/dbraw/zinc/78/49/86/207784986.db2.gz MVIOTRVXHSDYNB-UHFFFAOYSA-N 0 0 381.932 5.611 50 30 GKEARN COc1ccc(OCc2ccccc2)c(C(=O)/C=C/c2cc3ccccc3o2)c1 ZINC000004737333 533020124 /nfs/dbraw/zinc/02/01/24/533020124.db2.gz QOTAKEUFZRZGQM-ACCUITESSA-N 0 0 384.431 5.917 50 30 GKEARN Cc1ccccc1Cn1cccc1CN(CCC(C)C)Cc1ccccc1C#N ZINC000096299918 208304766 /nfs/dbraw/zinc/30/47/66/208304766.db2.gz OADOQMOAVGBDRH-UHFFFAOYSA-N 0 0 385.555 5.765 50 30 GKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccccc1C)C(=O)c1ccccc1-2 ZINC000100868721 208383273 /nfs/dbraw/zinc/38/32/73/208383273.db2.gz NAFOHCPKBQCYGN-AQTBWJFISA-N 0 0 387.435 5.389 50 30 GKEARN Cc1cccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1C ZINC000101091699 208385730 /nfs/dbraw/zinc/38/57/30/208385730.db2.gz NORVRLHRXFQVES-UHFFFAOYSA-N 0 0 393.408 6.499 50 30 GKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000100060554 208371048 /nfs/dbraw/zinc/37/10/48/208371048.db2.gz NYOXRYYXRWJDKP-GYKMGIIDSA-N 0 0 384.648 7.597 50 30 endogenous,in-man GKEARN N#Cc1sc(C=CNOCc2c(Cl)cccc2Cl)nc1C(F)(F)F ZINC000100406007 208375829 /nfs/dbraw/zinc/37/58/29/208375829.db2.gz BQTMIFQFFLGCJE-SNAWJCMRSA-N 0 0 394.205 5.032 50 30 GKEARN CNc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 ZINC000328592586 533064333 /nfs/dbraw/zinc/06/43/33/533064333.db2.gz KWPXVANROGBSKH-UHFFFAOYSA-N 0 0 387.892 5.459 50 30 GKEARN Cc1ccc(C)c(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 ZINC000000976999 208488735 /nfs/dbraw/zinc/48/87/35/208488735.db2.gz PFWMEQSRUQCOLP-UHFFFAOYSA-N 0 0 375.497 5.071 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 ZINC000020808391 210362939 /nfs/dbraw/zinc/36/29/39/210362939.db2.gz RIDXCLSRDGPUKQ-UHFFFAOYSA-N 0 0 385.398 5.375 50 30 GKEARN Cc1cc(C(F)(F)F)nc2sc3c(nc(N)c(C#N)c3-c3ccccc3)c21 ZINC000020602394 210349315 /nfs/dbraw/zinc/34/93/15/210349315.db2.gz UEGUUQDYMPHMHT-UHFFFAOYSA-N 0 0 384.386 5.293 50 30 GKEARN CC(C)Oc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020464415 210338708 /nfs/dbraw/zinc/33/87/08/210338708.db2.gz XPAKJOBFCBLHEQ-GQIGUUNPSA-N 0 0 391.519 5.225 50 30 GKEARN Cc1ccccc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2ccccc2C)C1=O ZINC000020115395 210318921 /nfs/dbraw/zinc/31/89/21/210318921.db2.gz XCJVYLTZDAPHDR-CTVDDJEBSA-N 0 0 393.530 5.855 50 30 GKEARN CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820484 210300169 /nfs/dbraw/zinc/30/01/69/210300169.db2.gz IDLUIPQOXHOAGI-UHFFFAOYSA-N 0 0 387.295 5.788 50 30 GKEARN CSc1cccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000019820584 210300007 /nfs/dbraw/zinc/30/00/07/210300007.db2.gz VCDSXJZARCGCCD-UHFFFAOYSA-N 0 0 398.944 5.856 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cl)cc1 ZINC000019804938 210298842 /nfs/dbraw/zinc/29/88/42/210298842.db2.gz NNGLOGDPJVKHKT-FPOVZHCZSA-N 0 0 389.882 5.382 50 30 GKEARN O=S(=O)(/N=C(/Sc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012729613 208774365 /nfs/dbraw/zinc/77/43/65/208774365.db2.gz ZJRAJXNBOUSIOE-XUTLUUPISA-N 0 0 387.913 5.268 50 30 GKEARN N#Cc1c(NC(=O)c2cccc(F)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001077832 220474646 /nfs/dbraw/zinc/47/46/46/220474646.db2.gz CLDHIPKSFUVRIR-UHFFFAOYSA-N 0 0 382.394 5.877 50 30 GKEARN CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002296708 220520033 /nfs/dbraw/zinc/52/00/33/220520033.db2.gz QUNMBFFWNHVBHJ-AREMUKBSSA-N 0 0 396.534 6.215 50 30 GKEARN CCOc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002441097 220536117 /nfs/dbraw/zinc/53/61/17/220536117.db2.gz XTBLSOFEZDCBMO-XMMPIXPASA-N 0 0 385.488 5.952 50 30 GKEARN COc1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)s1 ZINC000002843283 220573796 /nfs/dbraw/zinc/57/37/96/220573796.db2.gz XSZOGUFHDXITCG-AUEPDCJTSA-N 0 0 396.821 6.242 50 30 GKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(CC)cc2)C1=O ZINC000002814128 220570319 /nfs/dbraw/zinc/57/03/19/220570319.db2.gz XPCKYNZBOCTIDL-XMHGGMMESA-N 0 0 393.508 5.101 50 30 GKEARN C=CCc1cccc2cc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)oc21 ZINC000002910597 220582889 /nfs/dbraw/zinc/58/28/89/220582889.db2.gz MVRAHHOAILHJEA-UHFFFAOYSA-N 0 0 395.458 5.041 50 30 GKEARN FC(F)(F)c1csc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000003127621 220604633 /nfs/dbraw/zinc/60/46/33/220604633.db2.gz PZGKXYIBAXYIEV-UHFFFAOYSA-N 0 0 380.235 5.943 50 30 GKEARN CCCCCCCCOc1ccc(C(=O)c2ccc(Br)o2)cc1 ZINC000003142286 220607047 /nfs/dbraw/zinc/60/70/47/220607047.db2.gz HEULQOZZEIGMLJ-UHFFFAOYSA-N 0 0 379.294 6.012 50 30 GKEARN N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000003133089 220607350 /nfs/dbraw/zinc/60/73/50/220607350.db2.gz NZFGRGWHMXZEQT-UHFFFAOYSA-N 0 0 389.669 5.395 50 30 GKEARN C[C@@H](C#N)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000097656625 533162129 /nfs/dbraw/zinc/16/21/29/533162129.db2.gz VLJTYITVMGWZEF-SUCHYCSPSA-N 0 0 386.426 5.320 50 30 GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O ZINC000004061145 220676234 /nfs/dbraw/zinc/67/62/34/220676234.db2.gz WCHUABIOEGJTRD-MRHULVGLSA-N 0 0 392.926 6.164 50 30 biogenic GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O ZINC000004061142 220676342 /nfs/dbraw/zinc/67/63/42/220676342.db2.gz WCHUABIOEGJTRD-WJYFEAOQSA-N 0 0 392.926 6.164 50 30 biogenic GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000004142036 220685312 /nfs/dbraw/zinc/68/53/12/220685312.db2.gz CACJRWSEIGZIOI-JTQLQIEISA-N 0 0 386.929 5.865 50 30 GKEARN COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004164433 220688768 /nfs/dbraw/zinc/68/87/68/220688768.db2.gz HOQJDAVLQVTCSY-HSZRJFAPSA-N 0 0 376.500 5.534 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Cl)c1 ZINC000004322975 220706430 /nfs/dbraw/zinc/70/64/30/220706430.db2.gz NNXUNPKFZOWYSL-LJQANCHMSA-N 0 0 389.882 6.118 50 30 GKEARN N#CCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1 ZINC000004325760 220706902 /nfs/dbraw/zinc/70/69/02/220706902.db2.gz GBVOIDSCVMUDFK-UHFFFAOYSA-N 0 0 378.844 5.221 50 30 GKEARN COc1ccc(-c2nc3ccccn3c2/N=C\c2ccc(Cl)cc2Cl)cc1 ZINC000004567997 220732602 /nfs/dbraw/zinc/73/26/02/220732602.db2.gz KKMYAGCDXPHZSS-CFRMEGHHSA-N 0 0 396.277 6.067 50 30 GKEARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000004646777 220740958 /nfs/dbraw/zinc/74/09/58/220740958.db2.gz FFHPPWDMYZFTDG-OCEACIFDSA-N 0 0 393.262 5.873 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 ZINC000004712819 220752596 /nfs/dbraw/zinc/75/25/96/220752596.db2.gz CWOOCVYSLQLFFV-MFKUBSTISA-N 0 0 399.450 5.098 50 30 GKEARN Cn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(Br)cc3)ccc21 ZINC000004733673 220756040 /nfs/dbraw/zinc/75/60/40/220756040.db2.gz DSXYDGVNECQHFA-NTUHNPAUSA-N 0 0 390.280 5.990 50 30 GKEARN O=C1c2ccccc2/C(=N\c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000004750926 220761280 /nfs/dbraw/zinc/76/12/80/220761280.db2.gz FVPJKYCSQKVLSG-VKQKAZQBSA-N 0 0 376.253 5.550 50 30 GKEARN Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@@]2(C)C(=O)c2ccccc2)c1 ZINC000004751702 220761901 /nfs/dbraw/zinc/76/19/01/220761901.db2.gz ACLHWTNOKIPEGY-HRNNMHKYSA-N 0 0 394.474 5.130 50 30 GKEARN CCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005219220 220846171 /nfs/dbraw/zinc/84/61/71/220846171.db2.gz WWWIVMCLHGTUBK-UHFFFAOYSA-N 0 0 388.902 5.734 50 30 GKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCC(C)C)cc1 ZINC000005454154 220872706 /nfs/dbraw/zinc/87/27/06/220872706.db2.gz RHMWMRYAPAQVBX-UHFFFAOYSA-N 0 0 396.538 6.025 50 30 GKEARN Cc1c(NC(=O)c2ccc(C#N)cc2F)cccc1-c1nc2ccccc2s1 ZINC000005792408 220898970 /nfs/dbraw/zinc/89/89/70/220898970.db2.gz ZLVAREOATCZCFM-UHFFFAOYSA-N 0 0 387.439 5.535 50 30 GKEARN Cc1ccc(NC=C2SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1Cl ZINC000006449765 220934564 /nfs/dbraw/zinc/93/45/64/220934564.db2.gz BTQUDGMEZKDJMJ-YWGDSDGQSA-N 0 0 392.311 5.448 50 30 GKEARN COc1cc(C=C2SC(=Nc3ccccc3C(F)(F)F)NC2=O)ccc1O ZINC000006858333 220972273 /nfs/dbraw/zinc/97/22/73/220972273.db2.gz CUMVYKIBMZFSHS-DHDCSXOGSA-N 0 0 394.374 5.152 50 30 GKEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000007667489 221004862 /nfs/dbraw/zinc/00/48/62/221004862.db2.gz GRAZUXWWVUFBMR-UHFFFAOYSA-N 0 0 381.435 5.094 50 30 GKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)o1 ZINC000008844557 221060252 /nfs/dbraw/zinc/06/02/52/221060252.db2.gz SBTHKPMEBDOLIP-UHFFFAOYSA-N 0 0 377.444 5.074 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)CC1 ZINC000008867551 221060883 /nfs/dbraw/zinc/06/08/83/221060883.db2.gz GTMXMOGAOKBNCN-UHFFFAOYSA-N 0 0 381.476 5.351 50 30 GKEARN C[C@@H]1CCCC[C@@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC000008887044 221062686 /nfs/dbraw/zinc/06/26/86/221062686.db2.gz IHQPLTRJXYYUOZ-UZLBHIALSA-N 0 0 389.528 5.255 50 30 GKEARN C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O ZINC000008765498 221056963 /nfs/dbraw/zinc/05/69/63/221056963.db2.gz KCQGVJAOHYWTPL-LSHDLFTRSA-N 0 0 389.451 5.066 50 30 biogenic GKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2Cl)n1 ZINC000009422610 221080422 /nfs/dbraw/zinc/08/04/22/221080422.db2.gz VUDYCYCRKVFAHB-UHFFFAOYSA-N 0 0 384.854 6.215 50 30 GKEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1cccc2ccccc21 ZINC000012250987 221172681 /nfs/dbraw/zinc/17/26/81/221172681.db2.gz MWUAMFVBNOLAEP-UHFFFAOYSA-N 0 0 385.448 5.097 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C1 ZINC000012617512 221215633 /nfs/dbraw/zinc/21/56/33/221215633.db2.gz BUZNDDFEFGDSGA-LBPRGKRZSA-N 0 0 388.920 5.194 50 30 GKEARN CC(C)n1c(Sc2ncccc2C#N)nnc1-c1ccc(Cl)cc1Cl ZINC000012740761 221223886 /nfs/dbraw/zinc/22/38/86/221223886.db2.gz MRRKCLBZQRLGJA-UHFFFAOYSA-N 0 0 390.299 5.251 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2cccc(O)c2)cs1)c1c(C)cccc1C ZINC000012793768 221233066 /nfs/dbraw/zinc/23/30/66/221233066.db2.gz BHMCLJPTUDFDEC-ZHACJKMWSA-N 0 0 392.480 5.046 50 30 GKEARN CCCN(Cc1nnc(-c2ccco2)o1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012974848 221251021 /nfs/dbraw/zinc/25/10/21/221251021.db2.gz KWPOLHRLYNAHBB-UHFFFAOYSA-N 0 0 398.466 5.280 50 30 GKEARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2ccccc2C#N)c1 ZINC000013010440 221256435 /nfs/dbraw/zinc/25/64/35/221256435.db2.gz CHHKOIXBYFVEDZ-LJQANCHMSA-N 0 0 383.495 5.280 50 30 GKEARN CCCCc1nc(N[C@@H](C)Cc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 ZINC000013763434 221288038 /nfs/dbraw/zinc/28/80/38/221288038.db2.gz OMNVFEYZWVJZJC-KRWDZBQOSA-N 0 0 393.600 5.907 50 30 GKEARN CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000013833593 221292094 /nfs/dbraw/zinc/29/20/94/221292094.db2.gz KWEQEHOPDHARIA-UHFFFAOYSA-N 0 0 385.511 5.469 50 30 in-vitro GKEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000013940521 221293706 /nfs/dbraw/zinc/29/37/06/221293706.db2.gz HJCFLQZUUYFYEU-STZFKDTASA-N 0 0 389.838 5.264 50 30 GKEARN CCCCCCSC1=C(SCCCCCC)C(=O)c2ccccc2C1=O ZINC000014628740 221313689 /nfs/dbraw/zinc/31/36/89/221313689.db2.gz NAROQAYBHJKVTI-UHFFFAOYSA-N 0 0 390.614 6.904 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccccc1F)c1ccccc1N2 ZINC000015826346 221347189 /nfs/dbraw/zinc/34/71/89/221347189.db2.gz RYGNOYMIFMAPTR-XMMPIXPASA-N 0 0 388.442 5.599 50 30 GKEARN CC(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCCCCCCCC3)cc1 ZINC000018122059 221387630 /nfs/dbraw/zinc/38/76/30/221387630.db2.gz CNASMXBCXQUXTO-UHFFFAOYSA-N 0 0 375.560 6.545 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000018197404 221390080 /nfs/dbraw/zinc/39/00/80/221390080.db2.gz DYQLIISWKQHYPU-LJQANCHMSA-N 0 0 388.250 5.287 50 30 GKEARN CCCCN1C(C)=NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000020393595 221485217 /nfs/dbraw/zinc/48/52/17/221485217.db2.gz LTIXSYUDOJDMEM-UHFFFAOYSA-N 0 0 384.364 5.027 50 30 GKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O ZINC000031854556 533484040 /nfs/dbraw/zinc/48/40/40/533484040.db2.gz NNTFEPBTWLRMFD-ZBKNUEDVSA-N 0 0 394.283 5.277 50 30 GKEARN COc1cccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000101091665 533616075 /nfs/dbraw/zinc/61/60/75/533616075.db2.gz SUPAFNRFBCIFMD-UHFFFAOYSA-N 0 0 395.380 5.891 50 30 GKEARN N#Cc1nc(CCC2CCCCC2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000096346481 136186695 /nfs/dbraw/zinc/18/66/95/136186695.db2.gz WOQZWULYFNXAIU-UHFFFAOYSA-N 0 0 398.938 5.039 50 30 GKEARN C=CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(OC)cc1 ZINC000002745537 136202947 /nfs/dbraw/zinc/20/29/47/136202947.db2.gz DVVFINMEGXSAQU-HSZRJFAPSA-N 0 0 386.451 5.031 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355378 209080347 /nfs/dbraw/zinc/08/03/47/209080347.db2.gz AKTPAJMBVLOPJG-XYYWMOGZSA-N 0 0 386.664 7.485 50 30 GKEARN Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1C1CCCCC1 ZINC000022414022 221559610 /nfs/dbraw/zinc/55/96/10/221559610.db2.gz SYDNLRGIDOFUTK-UHFFFAOYSA-N 0 0 388.540 5.923 50 30 GKEARN CCc1nnc(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)o1 ZINC000072304683 222222169 /nfs/dbraw/zinc/22/21/69/222222169.db2.gz UVQCWWCOBNSJKA-UHFFFAOYSA-N 0 0 394.434 5.090 50 30 GKEARN C#CCSc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl ZINC000012342725 517306396 /nfs/dbraw/zinc/30/63/96/517306396.db2.gz AXGHTHYXPWYOCG-UHFFFAOYSA-N 0 0 382.897 5.318 50 30 GKEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000004819875 518264660 /nfs/dbraw/zinc/26/46/60/518264660.db2.gz WZMBZFIXLIWRBH-PXLXIMEGSA-N 0 0 399.471 5.088 50 30 GKEARN CC(=O)c1ccc(N=C2c3ccccc3C(=Nc3ccc(C(C)=O)cc3)N2C)cc1 ZINC000103547834 518299429 /nfs/dbraw/zinc/29/94/29/518299429.db2.gz VAEHJKJMRPYRST-DSOYXUETSA-N 0 0 395.462 5.194 50 30 GKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076814 518328612 /nfs/dbraw/zinc/32/86/12/518328612.db2.gz YCFTYQWKIFSOMF-SFHVURJKSA-N 0 0 377.440 5.040 50 30 GKEARN C#CCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047391 518338568 /nfs/dbraw/zinc/33/85/68/518338568.db2.gz VSVOOCVURAGHNX-UHFFFAOYSA-N 0 0 398.506 6.282 50 30 GKEARN C#Cc1cccc(N2C(=O)C[C@@H](SCCCCCCCCCCCC)C2=O)c1 ZINC000095660842 518361106 /nfs/dbraw/zinc/36/11/06/518361106.db2.gz XXYLSXRCHUPKLW-JOCHJYFZSA-N 0 0 399.600 5.954 50 30 GKEARN C(=N/c1ccc(Cc2ccc(/N=C/c3cccs3)cc2)cc1)\c1cccs1 ZINC000002155909 518377646 /nfs/dbraw/zinc/37/76/46/518377646.db2.gz XIQUQGXWPVCSAX-MUPYBJATSA-N 0 0 386.545 6.902 50 30 GKEARN CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)C(C)(C)C ZINC000027496858 518454892 /nfs/dbraw/zinc/45/48/92/518454892.db2.gz PJJJEFBMDQKHCJ-CFRMEGHHSA-N 0 0 397.320 5.893 50 30 GKEARN C/C(=N/OCc1c(F)cccc1Cl)c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051088 518455812 /nfs/dbraw/zinc/45/58/12/518455812.db2.gz MTYFOKXFRPFSAN-QQXSKIMKSA-N 0 0 394.877 5.940 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1O ZINC000017209268 518460532 /nfs/dbraw/zinc/46/05/32/518460532.db2.gz CWNFZKXEFULUNT-UFFVCSGVSA-N 0 0 378.284 5.081 50 30 GKEARN C/C(=N\O)c1ccc(OCCCCCCOc2ccc(/C(C)=N\O)cc2)cc1 ZINC000004996319 518469204 /nfs/dbraw/zinc/46/92/04/518469204.db2.gz PSLLPDPNNOVIKM-QFFDILLMSA-N 0 0 384.476 5.101 50 30 GKEARN CC(=NOC(=O)Nc1ccccc1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000001406836 518470732 /nfs/dbraw/zinc/47/07/32/518470732.db2.gz IKJBISJMJZOZAB-YDZHTSKRSA-N 0 0 385.876 5.745 50 30 GKEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1 ZINC000013469051 518470810 /nfs/dbraw/zinc/47/08/10/518470810.db2.gz AIKVJLGDBFRKQY-HZHRSRAPSA-N 0 0 381.884 6.072 50 30 GKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccsc2)Cc2ccco2)o1 ZINC000036202713 518587764 /nfs/dbraw/zinc/58/77/64/518587764.db2.gz BVFGSLHRQIYLIR-UHFFFAOYSA-N 0 0 383.513 5.476 50 30 GKEARN C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCC3 ZINC000097949622 518640483 /nfs/dbraw/zinc/64/04/83/518640483.db2.gz PESRQUMQNFFLQM-UHFFFAOYSA-N 0 0 376.591 5.585 50 30 GKEARN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]12 ZINC000248260203 518664627 /nfs/dbraw/zinc/66/46/27/518664627.db2.gz MECHNRXZTMCUDQ-YCEOQHLGSA-N 0 0 396.659 7.641 50 30 GKEARN C=CC/N=c1/sc(C)c(-c2ccc(OC)cc2)n1-c1cccc2ccccc21 ZINC000102265015 518683685 /nfs/dbraw/zinc/68/36/85/518683685.db2.gz QFHVOTZJXONXRZ-OCOZRVBESA-N 0 0 386.520 5.763 50 30 GKEARN C=CCC(O)(CC=C)c1ccc(CN(Cc2ccco2)Cc2ccccc2C)o1 ZINC000036203165 518688181 /nfs/dbraw/zinc/68/81/81/518688181.db2.gz APHSGSXUMPFQRF-UHFFFAOYSA-N 0 0 391.511 5.723 50 30 GKEARN C=CCCCCCCCCc1nnc(SCC(=O)c2ccc(Cl)cc2)[nH]1 ZINC000006780724 518699660 /nfs/dbraw/zinc/69/96/60/518699660.db2.gz UZLQNHDXCDYPAP-UHFFFAOYSA-N 0 0 391.968 5.892 50 30 GKEARN C=CCN(C(=O)CCSC)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000013150084 518729385 /nfs/dbraw/zinc/72/93/85/518729385.db2.gz PLKXHRXGYWEFKA-UHFFFAOYSA-N 0 0 398.553 5.244 50 30 GKEARN C=CCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000022655317 518737869 /nfs/dbraw/zinc/73/78/69/518737869.db2.gz SMWPGIZLKKGKCY-UHFFFAOYSA-N 0 0 393.474 6.395 50 30 GKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccs1 ZINC000036031773 518795461 /nfs/dbraw/zinc/79/54/61/518795461.db2.gz WXFAWYSKUCSMLG-UHFFFAOYSA-N 0 0 398.553 5.229 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000013774078 518832420 /nfs/dbraw/zinc/83/24/20/518832420.db2.gz VIMFBPZAZJQDSI-OQLLNIDSSA-N 0 0 396.320 5.641 50 30 GKEARN C=CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000017167606 518842934 /nfs/dbraw/zinc/84/29/34/518842934.db2.gz QVQSFIQTFDIFKG-UDWIEESQSA-N 0 0 392.455 5.051 50 30 GKEARN C=CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000001015280 518843085 /nfs/dbraw/zinc/84/30/85/518843085.db2.gz QVQSFIQTFDIFKG-NDENLUEZSA-N 0 0 392.455 5.051 50 30 GKEARN CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2Cc2ccccc2)cc1 ZINC000006839555 519010670 /nfs/dbraw/zinc/01/06/70/519010670.db2.gz DUEZIVGXDIJLIN-UHFFFAOYSA-N 0 0 376.529 5.297 50 30 GKEARN C=CCOc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000004803814 519011997 /nfs/dbraw/zinc/01/19/97/519011997.db2.gz RPWDRRNMCQJASJ-FXBPSFAMSA-N 0 0 381.431 5.816 50 30 GKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 ZINC000013777652 519013876 /nfs/dbraw/zinc/01/38/76/519013876.db2.gz VCTMLRZVEWOFTI-BKUYFWCQSA-N 0 0 388.419 5.413 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 ZINC000028293478 519024291 /nfs/dbraw/zinc/02/42/91/519024291.db2.gz WUTSCZAIZKPOJB-UHFFFAOYSA-N 0 0 378.859 5.147 50 30 GKEARN C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000032622297 519028600 /nfs/dbraw/zinc/02/86/00/519028600.db2.gz 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ZINC000014997470 519070404 /nfs/dbraw/zinc/07/04/04/519070404.db2.gz ZCQRCHAHMJBZDA-UHFFFAOYSA-N 0 0 393.508 5.080 50 30 GKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076770 519072052 /nfs/dbraw/zinc/07/20/52/519072052.db2.gz WIKOZBCAQDSXDB-KRWDZBQOSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076772 519074168 /nfs/dbraw/zinc/07/41/68/519074168.db2.gz WIKOZBCAQDSXDB-QGZVFWFLSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCSc1nc2ccccc2n1C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000012384094 519081690 /nfs/dbraw/zinc/08/16/90/519081690.db2.gz OHEUGNXMCDNXGQ-ABAIWWIYSA-N 0 0 381.328 5.546 50 30 GKEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000009206450 519083556 /nfs/dbraw/zinc/08/35/56/519083556.db2.gz MQRFQBORANHFTF-UHFFFAOYSA-N 0 0 381.888 5.327 50 30 GKEARN C=CCc1c(C)nc2sc(C(=O)Nc3c(C)cc(C)cc3C)c(N)c2c1C ZINC000013282604 519122565 /nfs/dbraw/zinc/12/25/65/519122565.db2.gz ZLBDEPPBESYZML-UHFFFAOYSA-N 0 0 379.529 5.401 50 30 GKEARN C=CCc1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000002984829 519137653 /nfs/dbraw/zinc/13/76/53/519137653.db2.gz XHDAQSLUHDYSSZ-UHFFFAOYSA-N 0 0 384.516 5.196 50 30 GKEARN C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)o1 ZINC000028236556 519146743 /nfs/dbraw/zinc/14/67/43/519146743.db2.gz HYZVDAZPFRFOGL-UHFFFAOYSA-N 0 0 375.424 5.042 50 30 GKEARN C=CCc1ccccc1OCc1ccc(C(=O)Nc2cc(C)ccc2OC)o1 ZINC000028236711 519146843 /nfs/dbraw/zinc/14/68/43/519146843.db2.gz JFOLCZLTTVIDBP-UHFFFAOYSA-N 0 0 377.440 5.156 50 30 GKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(C)cc1 ZINC000100297019 519148339 /nfs/dbraw/zinc/14/83/39/519148339.db2.gz BMHAAUBGOJEXFJ-VZCXRCSSSA-N 0 0 385.330 5.706 50 30 GKEARN C=CCn1c(-c2ccccc2)csc1=NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000252631523 519150679 /nfs/dbraw/zinc/15/06/79/519150679.db2.gz VLTQKFIFFXAQTK-UHFFFAOYSA-N 0 0 393.556 5.391 50 30 GKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c1C ZINC000003294866 519168533 /nfs/dbraw/zinc/16/85/33/519168533.db2.gz 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/nfs/dbraw/zinc/23/98/86/519239886.db2.gz RCLSANLZJQBCRE-UHFFFAOYSA-N 0 0 393.409 5.581 50 30 GKEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478438 519240422 /nfs/dbraw/zinc/24/04/22/519240422.db2.gz XZBFUJZJDSXGNF-UHFFFAOYSA-N 0 0 377.557 6.029 50 30 GKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1 ZINC000017078784 519241527 /nfs/dbraw/zinc/24/15/27/519241527.db2.gz AVKSVPWIWKFCRQ-UHFFFAOYSA-N 0 0 386.318 5.186 50 30 GKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 ZINC000004345956 519242316 /nfs/dbraw/zinc/24/23/16/519242316.db2.gz BEGCQEUYSVLPHF-UHFFFAOYSA-N 0 0 393.409 5.581 50 30 GKEARN CC(=CCc1ccccc1)N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004676645 519346739 /nfs/dbraw/zinc/34/67/39/519346739.db2.gz QARLHZOBZXXGCM-MOTGWWFASA-N 0 0 388.323 6.618 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2)cs1)c1c(C)cccc1C ZINC000096924444 519475536 /nfs/dbraw/zinc/47/55/36/519475536.db2.gz YLTQYBKEQMDZJR-SEYXRHQNSA-N 0 0 376.481 5.341 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cccc(O)c2)cs1)c1cccc(C)c1C ZINC000096924530 519475785 /nfs/dbraw/zinc/47/57/85/519475785.db2.gz OFDYKBSSDCYXDD-KHPPLWFESA-N 0 0 392.480 5.046 50 30 GKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009264264 519640938 /nfs/dbraw/zinc/64/09/38/519640938.db2.gz FKJISGVXKYVBPV-CJAUYULYSA-N 0 0 398.462 5.200 50 30 GKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245240240 519645873 /nfs/dbraw/zinc/64/58/73/519645873.db2.gz NYOXRYYXRWJDKP-OEQJRUGISA-N 0 0 384.648 7.597 50 30 GKEARN CC(C)Oc1ccccc1/C=C1/CC/C(=C/c2ccccc2OC(C)C)C1=O ZINC000003895003 519783870 /nfs/dbraw/zinc/78/38/70/519783870.db2.gz PKBFSVOXCMOCRZ-BMJUYKDLSA-N 0 0 376.496 6.091 50 30 GKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000033530056 519834249 /nfs/dbraw/zinc/83/42/49/519834249.db2.gz ZWOITPSLJHNNDZ-PAUOAVIZSA-N 0 0 396.486 6.325 50 30 GKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000004114051 519834253 /nfs/dbraw/zinc/83/42/53/519834253.db2.gz ZWOITPSLJHNNDZ-XOBNHNQQSA-N 0 0 396.486 6.325 50 30 GKEARN CC(C)c1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000009319417 519834259 /nfs/dbraw/zinc/83/42/59/519834259.db2.gz TXGXNRAOWNLAOD-JHXRPTDYSA-N 0 0 393.556 5.938 50 30 GKEARN CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 ZINC000009530787 519834288 /nfs/dbraw/zinc/83/42/88/519834288.db2.gz JEVOWQRFYAPGGO-MTJSOVHGSA-N 0 0 394.467 5.147 50 30 GKEARN CC(C)c1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000100416075 519839419 /nfs/dbraw/zinc/83/94/19/519839419.db2.gz JJFSIJNJIVNLCH-QFIPXVFZSA-N 0 0 397.518 5.748 50 30 GKEARN CC(C)c1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000100416070 519840262 /nfs/dbraw/zinc/84/02/62/519840262.db2.gz JJFSIJNJIVNLCH-JOCHJYFZSA-N 0 0 397.518 5.748 50 30 GKEARN CCCC(C)(C)[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000036354888 519882757 /nfs/dbraw/zinc/88/27/57/519882757.db2.gz DIYFSYBOKDUFNM-IXLKOTGVSA-N 0 0 376.457 5.533 50 30 GKEARN CCCC(C)(C)[C@H]1C[C@@H](C)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101673116 519882924 /nfs/dbraw/zinc/88/29/24/519882924.db2.gz VYVCOPUKBOFTDG-XPNVSNFHSA-N 0 0 376.457 5.533 50 30 GKEARN CCCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@H](c2ccccc2)CC1=O ZINC000004406335 519905348 /nfs/dbraw/zinc/90/53/48/519905348.db2.gz YCEPSSZBPMWNCO-QFIPXVFZSA-N 0 0 397.518 6.412 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3cccc(Cl)c3)o2)CC1 ZINC000027562577 519921556 /nfs/dbraw/zinc/92/15/56/519921556.db2.gz IXGMITLWZRLRNY-ZVHZXABRSA-N 0 0 384.911 6.110 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000003122774 519963263 /nfs/dbraw/zinc/96/32/63/519963263.db2.gz ORJJPDCYCQAUET-QGZVFWFLSA-N 0 0 393.786 5.888 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000003122764 519963934 /nfs/dbraw/zinc/96/39/34/519963934.db2.gz KRTJGGJLMFFXQB-MRXNPFEDSA-N 0 0 395.758 5.280 50 30 GKEARN CCCCCCCC(=O)Nc1sc(C)c(-c2ccc([C@@H](C)CC)cc2)c1C#N ZINC000002773582 519965164 /nfs/dbraw/zinc/96/51/64/519965164.db2.gz JSHOEHIGSTUSBF-KRWDZBQOSA-N 0 0 396.600 7.408 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccccn21 ZINC000102996520 519973214 /nfs/dbraw/zinc/97/32/14/519973214.db2.gz ZFTASIUUAAUCCQ-UHFFFAOYSA-N 0 0 379.504 5.699 50 30 GKEARN CCCCCCCCCC(=O)Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1 ZINC000102998532 519977084 /nfs/dbraw/zinc/97/70/84/519977084.db2.gz VNKBSLMRJKDVAJ-UHFFFAOYSA-N 0 0 399.579 5.122 50 30 GKEARN CCCCCCCCCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000100498110 519977482 /nfs/dbraw/zinc/97/74/82/519977482.db2.gz AKUFSAACBJSLTM-QGZVFWFLSA-N 0 0 393.786 6.052 50 30 GKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000098001395 519977886 /nfs/dbraw/zinc/97/78/86/519977886.db2.gz LACIDLORPAMJQN-UHFFFAOYSA-N 0 0 394.559 6.635 50 30 biogenic GKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000102066654 519980076 /nfs/dbraw/zinc/98/00/76/519980076.db2.gz RBRLWBBXFYCLQJ-OYRHEFFESA-N 0 0 399.531 5.412 50 30 GKEARN CCCCCCCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000097944218 519981024 /nfs/dbraw/zinc/98/10/24/519981024.db2.gz FLYFFXVYWQMXFU-UHFFFAOYSA-N 0 0 389.540 5.164 50 30 GKEARN CCCCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1ccon1 ZINC000102999689 519981690 /nfs/dbraw/zinc/98/16/90/519981690.db2.gz VZONVUPZURXBAI-UHFFFAOYSA-N 0 0 393.572 5.409 50 30 GKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1cccc2ccccc21 ZINC000100815824 519981799 /nfs/dbraw/zinc/98/17/99/519981799.db2.gz YVUHGCPWEFAJTA-UHFFFAOYSA-N 0 0 384.589 6.574 50 30 GKEARN CCCCCCCCCCCC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000002367514 519982013 /nfs/dbraw/zinc/98/20/13/519982013.db2.gz SFLWXNXZMJQLOJ-UHFFFAOYSA-N 0 0 379.544 6.919 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000103000249 519983500 /nfs/dbraw/zinc/98/35/00/519983500.db2.gz RBBAXMVFCCVBHS-UHFFFAOYSA-N 0 0 379.566 5.883 50 30 GKEARN CCCCCCCCCCCCC(=O)CCCC(=O)NCCCCCCC ZINC000098043294 519986472 /nfs/dbraw/zinc/98/64/72/519986472.db2.gz YOGYVEUJAVUHQX-UHFFFAOYSA-N 0 0 381.645 7.123 50 30 GKEARN CCCCCCCCCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC ZINC000100723322 519986878 /nfs/dbraw/zinc/98/68/78/519986878.db2.gz OZFGIHXCLQZYEJ-UHFFFAOYSA-N 0 0 379.541 5.021 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)CC(=O)N(C)c1ccccc1 ZINC000101017707 519988340 /nfs/dbraw/zinc/98/83/40/519988340.db2.gz LYHKJPPBPUGKNZ-UHFFFAOYSA-N 0 0 387.608 7.090 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)Nc1c(C)cccc1Cl ZINC000100970888 519989622 /nfs/dbraw/zinc/98/96/22/519989622.db2.gz YFEOJMIWHAOAJB-UHFFFAOYSA-N 0 0 380.016 8.068 50 30 GKEARN CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC ZINC000100053047 519990983 /nfs/dbraw/zinc/99/09/83/519990983.db2.gz LPEPQDSUFATBAM-UHFFFAOYSA-N 0 0 384.601 6.600 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC ZINC000100460730 519992277 /nfs/dbraw/zinc/99/22/77/519992277.db2.gz NHUXFMNHQIITCP-UHFFFAOYSA-N 0 0 384.645 7.608 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C ZINC000100016929 519992607 /nfs/dbraw/zinc/99/26/07/519992607.db2.gz SJIDAAGFCNIAJP-UHFFFAOYSA-N 0 0 396.700 9.008 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1 ZINC000100068661 519993190 /nfs/dbraw/zinc/99/31/90/519993190.db2.gz YASWBJXTHOXPGK-UHFFFAOYSA-N 0 0 375.597 7.592 50 30 GKEARN CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000072400425 519993511 /nfs/dbraw/zinc/99/35/11/519993511.db2.gz ZERWDZDNDJBYKA-UHFFFAOYSA-N 0 0 381.557 5.855 50 30 in-vitro GKEARN CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC ZINC000064858733 519994360 /nfs/dbraw/zinc/99/43/60/519994360.db2.gz URGDXLFVAIKCMI-UHFFFAOYSA-N 0 0 382.673 8.762 50 30 biogenic,in-vitro GKEARN CCCCCCCCCCCCCCCCCCCCCC(O)(CC)CC ZINC000100308305 519994866 /nfs/dbraw/zinc/99/48/66/519994866.db2.gz MWAVENVCDCNNPF-UHFFFAOYSA-N 0 0 382.717 9.359 50 30 GKEARN CCCCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000100225359 519996965 /nfs/dbraw/zinc/99/69/65/519996965.db2.gz JJZZSCOZPPVDBT-UHFFFAOYSA-N 0 0 391.596 8.235 50 30 GKEARN CCCCCCCCCCCCCCCCCCO[C@H]1CCS(=O)(=O)C1 ZINC000100747836 519997433 /nfs/dbraw/zinc/99/74/33/519997433.db2.gz MVFKZKKZEDBEOF-QFIPXVFZSA-N 0 0 388.658 6.452 50 30 GKEARN CCCCCCCCCCCCCCCCCCSc1ccccc1NN ZINC000100853194 519997647 /nfs/dbraw/zinc/99/76/47/519997647.db2.gz WDZKIBSQDJBLEK-UHFFFAOYSA-N 0 0 392.697 8.326 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 ZINC000100225229 520001853 /nfs/dbraw/zinc/00/18/53/520001853.db2.gz WQOJBUZKWYRALG-UHFFFAOYSA-N 0 0 376.581 7.333 50 30 GKEARN CCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000059193088 520001955 /nfs/dbraw/zinc/00/19/55/520001955.db2.gz RXHIZFMFPLHZDT-UHFFFAOYSA-N 0 0 396.637 7.182 50 30 GKEARN CCCCCCCCCCCCCCCCOc1ccc(C=O)cc1OC ZINC000101014015 520002007 /nfs/dbraw/zinc/00/20/07/520002007.db2.gz UHISARDYQAFGIK-UHFFFAOYSA-N 0 0 376.581 7.368 50 30 GKEARN CCCCCCCCCCCCCCCCSc1ccc(Cl)cc1N ZINC000100853158 520003893 /nfs/dbraw/zinc/00/38/93/520003893.db2.gz HOLWQJCUBBPKAN-UHFFFAOYSA-N 0 0 384.073 8.496 50 30 GKEARN CCCCCCCCCCCCCCCc1cc(=S)n(C)c2cc(C)ccc12 ZINC000100853424 520004717 /nfs/dbraw/zinc/00/47/17/520004717.db2.gz RKPWHUNKRFOXFX-UHFFFAOYSA-N 0 0 399.688 8.850 50 30 GKEARN CCCCCCCCCCCCCCCc1nnc(SCC(=O)OC)[nH]1 ZINC000100742414 520005357 /nfs/dbraw/zinc/00/53/57/520005357.db2.gz WUICDGWLSVVRSO-UHFFFAOYSA-N 0 0 383.602 5.704 50 30 GKEARN CCCCCCCCCCCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000102065556 520010360 /nfs/dbraw/zinc/01/03/60/520010360.db2.gz MNUJKLHGDXYFGR-UHFFFAOYSA-N 0 0 388.379 6.409 50 30 GKEARN CCCCCCCCCCCCOC(=O)CSc1nc2ccccc2s1 ZINC000101015324 520011650 /nfs/dbraw/zinc/01/16/50/520011650.db2.gz LOVMHTOJFJDXFG-UHFFFAOYSA-N 0 0 393.618 6.853 50 30 GKEARN CCCCCCCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1 ZINC000100167329 520011674 /nfs/dbraw/zinc/01/16/74/520011674.db2.gz ZGBVVXQGIYLOFZ-OCEACIFDSA-N 0 0 397.559 6.919 50 30 GKEARN CCCCCCCCCCCCONC(=O)Nc1ccc(Br)cc1 ZINC000100844551 520012086 /nfs/dbraw/zinc/01/20/86/520012086.db2.gz LDZCABHHIICNPB-UHFFFAOYSA-N 0 0 399.373 6.423 50 30 GKEARN CCCCCCCCCCCCc1ccc(-c2ccc(CCCCC)cn2)cc1 ZINC000098000489 520016166 /nfs/dbraw/zinc/01/61/66/520016166.db2.gz XXFVNEOAZPFODY-UHFFFAOYSA-N 0 0 393.659 8.945 50 30 GKEARN CCCCCCCCCCCc1nnc(SCc2ccc(Cl)cc2)n1C ZINC000095704509 520017131 /nfs/dbraw/zinc/01/71/31/520017131.db2.gz JHBYTGAANRIXPW-UHFFFAOYSA-N 0 0 394.028 6.834 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)NC2CCCCCC2)cc1 ZINC000098001475 520021400 /nfs/dbraw/zinc/02/14/00/520021400.db2.gz BBIWHSCVGNAHQZ-UHFFFAOYSA-N 0 0 388.596 7.050 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 ZINC000098043356 520021593 /nfs/dbraw/zinc/02/15/93/520021593.db2.gz HDGWNNFVNYXTAG-UHFFFAOYSA-N 0 0 397.559 6.145 50 30 GKEARN CCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 ZINC000100167699 520021724 /nfs/dbraw/zinc/02/17/24/520021724.db2.gz MSABKRNOGDWYAE-WEMUOSSPSA-N 0 0 393.615 8.299 50 30 GKEARN CCCCCCCCCCOc1ccccc1OCCCCCCCCCC ZINC000095730993 520023002 /nfs/dbraw/zinc/02/30/02/520023002.db2.gz YDBAUWPGWGYZTF-UHFFFAOYSA-N 0 0 390.652 8.726 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000100034603 520024159 /nfs/dbraw/zinc/02/41/59/520024159.db2.gz XCGGIKGGLKQABI-UHFFFAOYSA-N 0 0 386.511 6.989 50 30 GKEARN CCCCCCCCCOc1ccc(/C=C2/c3cccc4cccc(c34)C2=O)cc1 ZINC000033355054 520029548 /nfs/dbraw/zinc/02/95/48/520029548.db2.gz JDFATNNOWQLEFQ-QOMWVZHYSA-N 0 0 398.546 7.706 50 30 GKEARN CCCCCCCCCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000098001351 520030278 /nfs/dbraw/zinc/03/02/78/520030278.db2.gz UVJIPHNHFVEPEK-UHFFFAOYSA-N 0 0 381.516 6.155 50 30 GKEARN CCCCCCCCNC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000102771545 520035544 /nfs/dbraw/zinc/03/55/44/520035544.db2.gz MGOAJXRQLMNRDU-UHFFFAOYSA-N 0 0 395.503 5.379 50 30 GKEARN CCCCCCCCOC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12 ZINC000097998519 520039327 /nfs/dbraw/zinc/03/93/27/520039327.db2.gz FFRZEFYWIIISFV-INIZCTEOSA-N 0 0 396.535 5.655 50 30 GKEARN CCCCCCCCOc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 ZINC000100912621 520040835 /nfs/dbraw/zinc/04/08/35/520040835.db2.gz IHNFXXMSWPTTGV-UHFFFAOYSA-N 0 0 378.491 6.689 50 30 GKEARN CCCCCCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl ZINC000097977098 520040999 /nfs/dbraw/zinc/04/09/99/520040999.db2.gz VCGUPYWIMNMCFT-UHFFFAOYSA-N 0 0 399.940 5.151 50 30 GKEARN CCCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1 ZINC000097998437 520041225 /nfs/dbraw/zinc/04/12/25/520041225.db2.gz VLJJKDDNKBVZPX-UHFFFAOYSA-N 0 0 382.592 7.396 50 30 GKEARN CCCCCCCCOc1cc(C#N)c(C#N)cc1OCCCCCCCC ZINC000100088980 520041777 /nfs/dbraw/zinc/04/17/77/520041777.db2.gz SSVVHLRGCJLWCP-UHFFFAOYSA-N 0 0 384.564 6.909 50 30 GKEARN CCCCCCCCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 ZINC000100282585 520042898 /nfs/dbraw/zinc/04/28/98/520042898.db2.gz ZKPJVYJNLNNGDR-XIEYBQDHSA-N 0 0 391.515 5.326 50 30 GKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1 ZINC000097998382 520043228 /nfs/dbraw/zinc/04/32/28/520043228.db2.gz VINZDVPMBRAXTN-NKFKGCMQSA-N 0 0 391.511 6.079 50 30 GKEARN CCCCCCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1 ZINC000100640641 520043961 /nfs/dbraw/zinc/04/39/61/520043961.db2.gz VFLPTAXNXKCXGV-UHFFFAOYSA-N 0 0 393.531 5.188 50 30 GKEARN CCCCCCCCOc1ccc(OC(=O)c2ccc(CCCC)cc2)cc1 ZINC000100738808 520044002 /nfs/dbraw/zinc/04/40/02/520044002.db2.gz DESAJRHSCPKXHK-UHFFFAOYSA-N 0 0 382.544 6.988 50 30 GKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCC ZINC000050860212 520047172 /nfs/dbraw/zinc/04/71/72/520047172.db2.gz QMVURLLIAQQAJQ-UHFFFAOYSA-N 0 0 390.575 6.783 50 30 GKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1 ZINC000050860238 520047616 /nfs/dbraw/zinc/04/76/16/520047616.db2.gz ZEIIZYANMVLJQA-UHFFFAOYSA-N 0 0 385.515 5.756 50 30 GKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C ZINC000050860233 520047704 /nfs/dbraw/zinc/04/77/04/520047704.db2.gz VRHUPEKLAIZPJT-UHFFFAOYSA-N 0 0 399.542 6.065 50 30 GKEARN CCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1 ZINC000100166204 520050311 /nfs/dbraw/zinc/05/03/11/520050311.db2.gz ZIEZBSKSIITGJE-WEMUOSSPSA-N 0 0 393.615 8.299 50 30 GKEARN CCCCCCCNC(=O)COc1ccc2ccccc2c1Br ZINC000002132253 520053006 /nfs/dbraw/zinc/05/30/06/520053006.db2.gz KEYVLIFKXDOHBC-UHFFFAOYSA-N 0 0 378.310 5.068 50 30 GKEARN CCCCCCCOc1cc([N+](=O)[O-])c(OCCCCCCC)cc1[N+](=O)[O-] ZINC000033353698 520061557 /nfs/dbraw/zinc/06/15/57/520061557.db2.gz IDZHMQGMKZXDGQ-UHFFFAOYSA-N 0 0 396.484 6.201 50 30 GKEARN CCCCCCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000097960140 520063415 /nfs/dbraw/zinc/06/34/15/520063415.db2.gz XDRTVYHPNWZRGA-PYCFMQQDSA-N 0 0 376.500 5.842 50 30 GKEARN CCCCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc(Cl)cc1 ZINC000100730166 520063846 /nfs/dbraw/zinc/06/38/46/520063846.db2.gz DTLQCFPILXHNTQ-SILNSSARSA-N 0 0 397.902 6.034 50 30 GKEARN CCCCCCCOc1ccc(NC[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000100033638 520064685 /nfs/dbraw/zinc/06/46/85/520064685.db2.gz GNXUVMAQLSZRGD-SFHVURJKSA-N 0 0 375.940 6.569 50 30 GKEARN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 ZINC000002113345 520065600 /nfs/dbraw/zinc/06/56/00/520065600.db2.gz MKNKRSSGABOLOZ-LJQANCHMSA-N 0 0 396.516 5.697 50 30 GKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000002292102 520066079 /nfs/dbraw/zinc/06/60/79/520066079.db2.gz OWUDOGKZSAEKLJ-CQSZACIVSA-N 0 0 391.650 6.487 50 30 GKEARN CCCCCCCc1ccc(-c2nc(C3CCC(CCCC)CC3)no2)cc1 ZINC000098044821 520069395 /nfs/dbraw/zinc/06/93/95/520069395.db2.gz NCXLTGIZWWDXSB-UHFFFAOYSA-N 0 0 382.592 7.714 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000050860525 520071511 /nfs/dbraw/zinc/07/15/11/520071511.db2.gz NYMUWOBSNFRPBA-FQEVSTJZSA-N 0 0 389.543 5.836 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000050860568 520071652 /nfs/dbraw/zinc/07/16/52/520071652.db2.gz JASBJZUHPSCMIG-HXUWFJFHSA-N 0 0 389.543 5.836 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000050860523 520071858 /nfs/dbraw/zinc/07/18/58/520071858.db2.gz NYMUWOBSNFRPBA-HXUWFJFHSA-N 0 0 389.543 5.836 50 30 GKEARN CCCCCCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000097954892 520072311 /nfs/dbraw/zinc/07/23/11/520072311.db2.gz XUYNYDKUKAIOQS-UHFFFAOYSA-N 0 0 378.476 5.041 50 30 GKEARN CCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000050860605 520072858 /nfs/dbraw/zinc/07/28/58/520072858.db2.gz LWUZRMFGGANPSV-FQEVSTJZSA-N 0 0 389.543 5.836 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009334899 520076880 /nfs/dbraw/zinc/07/68/80/520076880.db2.gz KESKVGGLRNZSRB-NRFANRHFSA-N 0 0 395.474 5.293 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000020617819 520076955 /nfs/dbraw/zinc/07/69/55/520076955.db2.gz GMHMTMKMMCYLAL-FQEVSTJZSA-N 0 0 397.902 5.499 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102597612 520078072 /nfs/dbraw/zinc/07/80/72/520078072.db2.gz XKPCQJTUBWZDMF-JBCNATCCSA-N 0 0 395.474 5.136 50 30 GKEARN CCCNc1c2ccccc2oc(=O)c1NC([O-])=[NH+]c1ccc(C)c(Cl)c1 ZINC000028048830 520127957 /nfs/dbraw/zinc/12/79/57/520127957.db2.gz JXIDSLOAAKIFIS-UHFFFAOYSA-N 0 0 385.851 5.234 50 30 GKEARN CC/C(=N\Oc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2F)cc1 ZINC000004363672 520179886 /nfs/dbraw/zinc/17/98/86/520179886.db2.gz MFXJLBMJYSWOKN-ZXVVBBHZSA-N 0 0 388.364 6.100 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000033391569 520265885 /nfs/dbraw/zinc/26/58/85/520265885.db2.gz KERNZZBEJXHXKW-JYBLJSLWSA-N 0 0 389.455 5.157 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000004794807 520266554 /nfs/dbraw/zinc/26/65/54/520266554.db2.gz VLZVCJBBDJVREH-FQEVSTJZSA-N 0 0 387.310 6.215 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Cl ZINC000102676788 520286814 /nfs/dbraw/zinc/28/68/14/520286814.db2.gz YORLXTQJIUNPIX-IBGZPJMESA-N 0 0 389.882 6.118 50 30 GKEARN CCCOc1ccc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000004834209 520326310 /nfs/dbraw/zinc/32/63/10/520326310.db2.gz TWNQVGVZQCPDPK-FXBPSFAMSA-N 0 0 383.447 6.040 50 30 GKEARN CCOC(=O)/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccccc1 ZINC000005868515 520391493 /nfs/dbraw/zinc/39/14/93/520391493.db2.gz WGKJIKKLDHIBMM-NBVRZTHBSA-N 0 0 380.827 5.429 50 30 GKEARN CCCCN(C)c1ccc(/C=N/NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000003049635 520433065 /nfs/dbraw/zinc/43/30/65/520433065.db2.gz VDUQKVAPNWAPOP-HZHRSRAPSA-N 0 0 382.577 5.169 50 30 GKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc21 ZINC000019791863 520494355 /nfs/dbraw/zinc/49/43/55/520494355.db2.gz HASWDZYUGLTPMB-JOCHJYFZSA-N 0 0 389.495 5.007 50 30 GKEARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 ZINC000100117628 520544454 /nfs/dbraw/zinc/54/44/54/520544454.db2.gz UWAZIBUHDAAKBI-NRILKJAUSA-N 0 0 380.491 5.642 50 30 GKEARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(O)cc1 ZINC000100117613 520544543 /nfs/dbraw/zinc/54/45/43/520544543.db2.gz TYWDNPGOYRSKMZ-NRILKJAUSA-N 0 0 396.490 5.348 50 30 GKEARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(O)cc1 ZINC000100117618 520572403 /nfs/dbraw/zinc/57/24/03/520572403.db2.gz TYWDNPGOYRSKMZ-OOVQCZTNSA-N 0 0 396.490 5.348 50 30 GKEARN CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1OC ZINC000096766896 520593512 /nfs/dbraw/zinc/59/35/12/520593512.db2.gz RNYKIIFFCFVKCJ-WTKPLQERSA-N 0 0 382.790 5.245 50 30 GKEARN CCOc1cc(C)c(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C ZINC000096483659 520673130 /nfs/dbraw/zinc/67/31/30/520673130.db2.gz SUMSZSUVEGKVKW-NDENLUEZSA-N 0 0 398.503 5.548 50 30 GKEARN CC1(C)c2ccccc2N=C1C=c1c(=O)c(=CC2Nc3ccccc3C2(C)C)c1=O ZINC000017118541 520688054 /nfs/dbraw/zinc/68/80/54/520688054.db2.gz VIIQDTCKCNREAM-SRTHJEPISA-N 0 0 396.490 5.659 50 30 GKEARN CCOc1ccc(-c2csc(C(C#N)=NNc3ccc(C)cc3C)n2)cc1 ZINC000017314931 520810556 /nfs/dbraw/zinc/81/05/56/520810556.db2.gz NTIJJVDRGMABJL-PLRJNAJWSA-N 0 0 376.485 5.165 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019536371 520818289 /nfs/dbraw/zinc/81/82/89/520818289.db2.gz WXMVYRLDNCUEAL-OAQYLSRUSA-N 0 0 399.918 5.184 50 30 GKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000019774567 520820062 /nfs/dbraw/zinc/82/00/62/520820062.db2.gz UVLZBIXCZAPYBP-HSZRJFAPSA-N 0 0 389.495 5.007 50 30 GKEARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2)C1C(=O)c1ccccc1 ZINC000020512731 520826875 /nfs/dbraw/zinc/82/68/75/520826875.db2.gz PTWCLLFWLYIZJT-JOCHJYFZSA-N 0 0 399.881 5.862 50 30 GKEARN CCOc1ccc(C=C2SC(=Nc3ccc(C)cc3C)NC2=O)cc1OC ZINC000006554495 520849156 /nfs/dbraw/zinc/84/91/56/520849156.db2.gz YJAXTXZDKYKQAO-UNOMPAQXSA-N 0 0 382.485 5.443 50 30 GKEARN CC1=CC(=O)C(=C2C[C@H](c3ccc(C(C)C)cc3)Nc3ccccc3N2)C(=O)O1 ZINC000102437419 520849059 /nfs/dbraw/zinc/84/90/59/520849059.db2.gz MESVCKMYEZGKCC-VLMSHNLISA-N 0 0 388.467 5.063 50 30 GKEARN CCCCOc1ccc(/C=C\C(=O)/C=C\c2ccc(OCCCC)cc2)cc1 ZINC000033909761 520854816 /nfs/dbraw/zinc/85/48/16/520854816.db2.gz PGDFHHWDEYAULU-PVRNWPCDSA-N 0 0 378.512 6.340 50 30 GKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000005610830 520857240 /nfs/dbraw/zinc/85/72/40/520857240.db2.gz GNUDXVGKCGQTPI-PYCFMQQDSA-N 0 0 397.474 6.430 50 30 GKEARN CC1=NOC(=O)/C1=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000017206542 520900924 /nfs/dbraw/zinc/90/09/24/520900924.db2.gz SIVXBSIHDUCLKS-UCQKPKSFSA-N 0 0 399.446 5.161 50 30 GKEARN CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000082093330 520962838 /nfs/dbraw/zinc/96/28/38/520962838.db2.gz QXXOOPJCZHYDNT-UHFFFAOYSA-N 0 0 397.302 5.121 50 30 GKEARN CCOC(=O)Nc1sc(N=NCc2ccccc2)nc1-c1ccc(C)cc1 ZINC000016751447 520997863 /nfs/dbraw/zinc/99/78/63/520997863.db2.gz UJXFEAVNBNLXNN-FYJGNVAPSA-N 0 0 380.473 5.133 50 30 GKEARN CCOc1ccc(NN=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000004135160 521031710 /nfs/dbraw/zinc/03/17/10/521031710.db2.gz DBJIWGAVCFOFQT-SZXQPVLSSA-N 0 0 398.491 5.702 50 30 GKEARN CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cccc(Br)c1 ZINC000102785409 521081098 /nfs/dbraw/zinc/08/10/98/521081098.db2.gz XIXJTNWZHXSFNA-WJDWOHSUSA-N 0 0 388.286 5.022 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000033409680 521090143 /nfs/dbraw/zinc/09/01/43/521090143.db2.gz YXFSTVHDFBILBL-RICQULRHSA-N 0 0 380.871 5.216 50 30 GKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000002338010 521117515 /nfs/dbraw/zinc/11/75/15/521117515.db2.gz XAXZJBPFFIGWMZ-DZRHBTRISA-N 0 0 393.556 5.328 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000006592791 521253038 /nfs/dbraw/zinc/25/30/38/521253038.db2.gz XAXZJBPFFIGWMZ-LSIOVLHASA-N 0 0 393.556 5.328 50 30 GKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000005093724 521256124 /nfs/dbraw/zinc/25/61/24/521256124.db2.gz VDTVXPWZRHCESD-VTCXCXIKSA-N 0 0 393.556 5.246 50 30 GKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)OC3=CC(=O)CCC3)c2c1 ZINC000001463650 521309451 /nfs/dbraw/zinc/30/94/51/521309451.db2.gz QBYNDRCYBXVUJW-UHFFFAOYSA-N 0 0 376.408 5.292 50 30 GKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc(C)cc1)C(=O)c1ccccc1-2 ZINC000100752532 521401866 /nfs/dbraw/zinc/40/18/66/521401866.db2.gz BDHUDGLLHHRUCH-UYRXBGFRSA-N 0 0 387.435 5.389 50 30 GKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc(F)cc1)C(=O)c1ccccc1-2 ZINC000100859141 521403029 /nfs/dbraw/zinc/40/30/29/521403029.db2.gz VTZRRUOYSZYWED-PDGQHHTCSA-N 0 0 391.398 5.220 50 30 GKEARN CCOc1ccccc1/C=C\C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 ZINC000096315867 521448050 /nfs/dbraw/zinc/44/80/50/521448050.db2.gz HAYATCQVBMLDPX-ZCXUNETKSA-N 0 0 393.486 6.505 50 30 GKEARN CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000004725645 521460443 /nfs/dbraw/zinc/46/04/43/521460443.db2.gz HPRFFOHDXGVHEH-ACCUITESSA-N 0 0 380.827 5.673 50 30 GKEARN CCOC(=O)c1ccc(/N=C/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000103754784 521460855 /nfs/dbraw/zinc/46/08/55/521460855.db2.gz DPUBGRZTWZTZDP-PCLIKHOPSA-N 0 0 383.451 5.012 50 30 GKEARN CCCn1c2ccccc2nc1NC(=O)c1cc(Br)ccc1Cl ZINC000012563886 521639387 /nfs/dbraw/zinc/63/93/87/521639387.db2.gz IKKJJFCLSQUEGO-UHFFFAOYSA-N 0 0 392.684 5.499 50 30 GKEARN CCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N/c1ccc(OCC)cc1 ZINC000097464923 521698496 /nfs/dbraw/zinc/69/84/96/521698496.db2.gz DLXDPNBXYVKBBC-PKEPYMRNSA-N 0 0 396.512 5.108 50 30 GKEARN CCN1c2ccccc2C(=C2SC(=Nc3cccc(Cl)c3C)NC2=O)C1=O ZINC000016267387 521730863 /nfs/dbraw/zinc/73/08/63/521730863.db2.gz HRGXGIWVTYABKR-MSUUIHNZSA-N 0 0 397.887 5.117 50 30 GKEARN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000005610752 521835229 /nfs/dbraw/zinc/83/52/29/521835229.db2.gz JBVGSLPHRPRIGT-AWQFTUOYSA-N 0 0 378.284 5.572 50 30 GKEARN COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4s3)cc2)cc1 ZINC000003087842 521940421 /nfs/dbraw/zinc/94/04/21/521940421.db2.gz XPQKONOZLXNJAM-ZVHZXABRSA-N 0 0 386.476 5.809 50 30 GKEARN COc1cc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cc(Cl)c1O ZINC000096765733 521981081 /nfs/dbraw/zinc/98/10/81/521981081.db2.gz RACFHEJVQMFMKF-WDZFZDKYSA-N 0 0 385.891 5.331 50 30 GKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O ZINC000013713340 521992076 /nfs/dbraw/zinc/99/20/76/521992076.db2.gz NNTFEPBTWLRMFD-DNTJNYDQSA-N 0 0 394.283 5.277 50 30 GKEARN COc1cc(NC2=CC(=O)C[C@@H](c3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000102679946 522013619 /nfs/dbraw/zinc/01/36/19/522013619.db2.gz PBJHRGATSMGRSR-RWGAVXAESA-N 0 0 375.827 5.588 50 30 GKEARN COc1cc(/N=C/c2ccccc2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102422516 522014119 /nfs/dbraw/zinc/01/41/19/522014119.db2.gz WMCKRAPVOQGZLC-ZVHZXABRSA-N 0 0 386.407 5.150 50 30 GKEARN COc1cc(C)c(/C=C/C(=O)/C=C/c2c(C)cc(OC)c(C)c2C)c(C)c1C ZINC000002105862 522182445 /nfs/dbraw/zinc/18/24/45/522182445.db2.gz IQSMUGLYXYXCNO-WGDLNXRISA-N 0 0 378.512 5.850 50 30 biogenic GKEARN Clc1ccc(-c2ccc(CN=Nc3ncnc4ccccc43)o2)cc1Cl ZINC000004536960 534632552 /nfs/dbraw/zinc/63/25/52/534632552.db2.gz GPLXGILHLDQMRK-YSURURNPSA-N 0 0 383.238 5.643 50 30 GKEARN COc1cc(OC)cc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)c1 ZINC000032620469 522841142 /nfs/dbraw/zinc/84/11/42/522841142.db2.gz FJVSTUJBCWZMDE-AQTBWJFISA-N 0 0 391.448 5.330 50 30 GKEARN COc1cc(OC)cc(C(=O)/C(=C\c2ccc(C)o2)c2nc3ccccc3o2)c1 ZINC000009547750 522841333 /nfs/dbraw/zinc/84/13/33/522841333.db2.gz ZMUMPPVODOKPFE-CPNJWEJPSA-N 0 0 389.407 5.170 50 30 GKEARN COc1ccc(-c2nn(CCC#N)cc2/C=C\c2ccc3ccccc3n2)cc1 ZINC000096766151 523246597 /nfs/dbraw/zinc/24/65/97/523246597.db2.gz SAQWCMZKHRAJLR-WQLSENKSSA-N 0 0 380.451 5.191 50 30 GKEARN COc1ccc(C(=CNc2ccc(Oc3ccccc3)cc2)C(C)=O)cc1OC ZINC000100301558 523359202 /nfs/dbraw/zinc/35/92/02/523359202.db2.gz DJQBUTCVNIUKOJ-CJLVFECKSA-N 0 0 389.451 5.538 50 30 GKEARN COc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000033598657 523380360 /nfs/dbraw/zinc/38/03/60/523380360.db2.gz GSHMIYDAINIJRO-XMHGGMMESA-N 0 0 388.854 5.648 50 30 GKEARN COc1ccc(/C=C/C(=O)C2CC2)cc1CSc1nc2ccccc2s1 ZINC000001269607 523382001 /nfs/dbraw/zinc/38/20/01/523382001.db2.gz UKMOKACQHJHVAS-UXBLZVDNSA-N 0 0 381.522 5.590 50 30 GKEARN COc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1Cn1nc(C)cc1C ZINC000003895455 523418342 /nfs/dbraw/zinc/41/83/42/523418342.db2.gz CRBNLIHFKGJOMK-WVWKGNOCSA-N 0 0 378.516 5.110 50 30 GKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1cccc(C)c1C ZINC000002233173 523419087 /nfs/dbraw/zinc/41/90/87/523419087.db2.gz CMIXPQABZKOAKB-PXLXIMEGSA-N 0 0 398.502 6.104 50 30 GKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccccc1F ZINC000000985693 523419271 /nfs/dbraw/zinc/41/92/71/523419271.db2.gz OXRXVUMTZFLYAO-XMHGGMMESA-N 0 0 388.438 5.626 50 30 GKEARN COc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1Cn1nc(C)cc1C ZINC000003895456 523419556 /nfs/dbraw/zinc/41/95/56/523419556.db2.gz CRBNLIHFKGJOMK-IMEWXKHHSA-N 0 0 378.516 5.110 50 30 GKEARN COc1ccc(/C=N/CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC ZINC000096448094 523436841 /nfs/dbraw/zinc/43/68/41/523436841.db2.gz KTHVRAMBASNPCB-IOCYEQIYSA-N 0 0 381.516 5.040 50 30 biogenic GKEARN COc1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000004414170 523460487 /nfs/dbraw/zinc/46/04/87/523460487.db2.gz MJFWCOVVNCVQFG-FMCGGJTJSA-N 0 0 394.883 6.082 50 30 GKEARN COc1ccc(NC2=NC(=S)N(c3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000005529753 523470189 /nfs/dbraw/zinc/47/01/89/523470189.db2.gz WQFNABDGWMKJQZ-UHFFFAOYSA-N 0 0 399.947 5.476 50 30 GKEARN COc1ccc(/N=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000100666080 523473399 /nfs/dbraw/zinc/47/33/99/523473399.db2.gz CSEQPLONABSDKY-XYGWBWBKSA-N 0 0 383.451 5.307 50 30 GKEARN CCn1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 ZINC000245239388 523489289 /nfs/dbraw/zinc/48/92/89/523489289.db2.gz ILNJYEIJHGACFY-BPTBXKDZSA-N 0 0 380.576 5.898 50 30 GKEARN COc1ccc(C(N=Nc2ccccc2)N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004776531 523533775 /nfs/dbraw/zinc/53/37/75/523533775.db2.gz BOBUKNXNOGEMTP-JVVTXYFXSA-N 0 0 375.388 5.161 50 30 GKEARN COc1ccc(C(=O)/C(=C/c2ccccc2Cl)c2nc3ccccc3o2)cc1 ZINC000004834202 523535282 /nfs/dbraw/zinc/53/52/82/523535282.db2.gz XXQWNUBZEMZTFP-JXAWBTAJSA-N 0 0 389.838 5.913 50 30 GKEARN COc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000033751615 523535434 /nfs/dbraw/zinc/53/54/34/523535434.db2.gz KCYXSOSKZYDTGH-LTGZKZEYSA-N 0 0 398.462 5.326 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000004724789 523539441 /nfs/dbraw/zinc/53/94/41/523539441.db2.gz AVZMVMGOFDQCJT-JXMROGBWSA-N 0 0 383.787 5.413 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000033424159 523541200 /nfs/dbraw/zinc/54/12/00/523541200.db2.gz RFMYEQNRMZWMEZ-LFIBNONCSA-N 0 0 398.437 5.583 50 30 GKEARN CC[C@]1(C)C[C@@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 ZINC000100576218 523590445 /nfs/dbraw/zinc/59/04/45/523590445.db2.gz XTRWYLUNPNUULW-LREFFXPHSA-N 0 0 381.516 5.127 50 30 GKEARN CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005692729 523652143 /nfs/dbraw/zinc/65/21/43/523652143.db2.gz RZNXYIOQMQAQOP-RIYZIHGNSA-N 0 0 392.842 5.912 50 30 GKEARN COc1ccc(C(=O)Oc2ccccc2/C=C2/Sc3ccccc3C2=O)cc1 ZINC000005065844 523777059 /nfs/dbraw/zinc/77/70/59/523777059.db2.gz LTIGNQYGYHLMAC-KGENOOAVSA-N 0 0 388.444 5.244 50 30 GKEARN CCc1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3o2)cc1 ZINC000098086894 523860928 /nfs/dbraw/zinc/86/09/28/523860928.db2.gz FWLCVYGAFJONBP-JVWAILMASA-N 0 0 392.458 6.667 50 30 GKEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccccc2)cc1 ZINC000004725188 523861423 /nfs/dbraw/zinc/86/14/23/523861423.db2.gz QTMXYODGYLTWHV-ZCXUNETKSA-N 0 0 378.475 5.998 50 30 GKEARN CCc1ccc(NN=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000004135159 523961793 /nfs/dbraw/zinc/96/17/93/523961793.db2.gz PHHHTPBGZATGFZ-SZXQPVLSSA-N 0 0 382.492 5.865 50 30 GKEARN CN(C)/C=C1\C(=O)c2c(cccc2Oc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000100255307 523967854 /nfs/dbraw/zinc/96/78/54/523967854.db2.gz NNZGDVKPEFXOMU-MNJKBJKMSA-N 0 0 389.882 5.906 50 30 GKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)c1n[nH]c2c1CCC2=Cc1ccccc1 ZINC000102922916 524035347 /nfs/dbraw/zinc/03/53/47/524035347.db2.gz AUSISAGNACSPNJ-PTUHFYJISA-N 0 0 395.506 5.391 50 30 GKEARN Cc1cccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3o2)c1 ZINC000102417500 524120301 /nfs/dbraw/zinc/12/03/01/524120301.db2.gz SPSRNQMTWWXGLW-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1cccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2cccc(C)c2)c1 ZINC000016745277 524155558 /nfs/dbraw/zinc/15/55/58/524155558.db2.gz MUMLDJWDJQPOPO-WMOWQXFYSA-N 0 0 384.504 6.112 50 30 GKEARN Cc1cccc(C(=O)Oc2ccc(C)cc2/C=C2\Sc3ccccc3C2=O)c1 ZINC000013774699 524225412 /nfs/dbraw/zinc/22/54/12/524225412.db2.gz MMPXNQRFLUNROL-HMAPJEAMSA-N 0 0 386.472 5.852 50 30 GKEARN Cc1ccc(C/N=C/c2ccc(O)c(Cc3c(F)cccc3Cl)c2O)cc1 ZINC000001387849 524226323 /nfs/dbraw/zinc/22/63/23/524226323.db2.gz OOHMOFWXZVUGIU-DHRITJCHSA-N 0 0 383.850 5.409 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(O)c2)C12CCCCC2 ZINC000013765022 524244295 /nfs/dbraw/zinc/24/42/95/524244295.db2.gz HIFHIVWLHIJZHB-UHFFFAOYSA-N 0 0 379.529 5.137 50 30 GKEARN Cc1cccc(C)c1NC=C1Nc2ccc(Br)c(Cl)c2C1=O ZINC000101349928 524265019 /nfs/dbraw/zinc/26/50/19/524265019.db2.gz WLGMZTWWZQUKLV-MDWZMJQESA-N 0 0 377.669 5.281 50 30 GKEARN C[C@@H](C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc32)c1)c1ccccc1 ZINC000100013362 524268236 /nfs/dbraw/zinc/26/82/36/524268236.db2.gz HQSSEGBEYORUBY-OVKKOYPGSA-N 0 0 394.474 6.038 50 30 in-vitro GKEARN COc1ccccc1/C=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004977358 524325864 /nfs/dbraw/zinc/32/58/64/524325864.db2.gz GUMABQQLDWMIOC-ITYLOYPMSA-N 0 0 394.478 5.290 50 30 GKEARN COc1ccccc1CN=Nc1nc(C(F)(F)F)c(-c2ccc(F)cc2)s1 ZINC000004380398 524327002 /nfs/dbraw/zinc/32/70/02/524327002.db2.gz QDYMSHGSNZSDMI-AUEPDCJTSA-N 0 0 395.381 5.423 50 30 GKEARN COc1ccc(NC(=CC(=O)c2ccc(C)cc2)C(=O)c2ccc(C)cc2)cc1 ZINC000100364385 524376807 /nfs/dbraw/zinc/37/68/07/524376807.db2.gz NFSASKGMHRCVQK-XQNSMLJCSA-N 0 0 385.463 5.374 50 30 GKEARN COc1ccc(NC(=CC(=O)c2ccc(C)cc2)C(=O)c2ccc(C)cc2)cc1 ZINC000100788855 524377652 /nfs/dbraw/zinc/37/76/52/524377652.db2.gz NFSASKGMHRCVQK-KQWNVCNZSA-N 0 0 385.463 5.374 50 30 GKEARN COc1ccc(NC2=C(C(=O)C=Cc3ccccc3)C(=O)CC(C)(C)C2)cc1 ZINC000100121675 524674819 /nfs/dbraw/zinc/67/48/19/524674819.db2.gz MDAJROXBKDBRNB-NTEUORMPSA-N 0 0 375.468 5.033 50 30 GKEARN Cc1ccc(Cn2cccc2/C=N/NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003048673 524771820 /nfs/dbraw/zinc/77/18/20/524771820.db2.gz ROIUBFFVVPRGSN-YDZHTSKRSA-N 0 0 396.947 5.127 50 30 GKEARN Cc1ccc(NC=CC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)c(F)c2)cc1 ZINC000100096481 524913747 /nfs/dbraw/zinc/91/37/47/524913747.db2.gz FZXVYRIIXGQFBE-LGHUBQEGSA-N 0 0 375.443 5.763 50 30 GKEARN Cc1ccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000100142941 524914867 /nfs/dbraw/zinc/91/48/67/524914867.db2.gz ISUPTYHJNJBYAJ-BUHFOSPRSA-N 0 0 395.861 6.175 50 30 GKEARN Cc1ccc(NC=CC(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1 ZINC000100142931 524915356 /nfs/dbraw/zinc/91/53/56/524915356.db2.gz MGGMJDXNDTXUJQ-OUKQBFOZSA-N 0 0 395.861 6.175 50 30 GKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000034378413 524919138 /nfs/dbraw/zinc/91/91/38/524919138.db2.gz AEASYVZYAQJXBT-REEUPSRWSA-N 0 0 395.458 5.178 50 30 GKEARN Cc1ccccc1C(=N)NOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000005065161 525037175 /nfs/dbraw/zinc/03/71/75/525037175.db2.gz QBRJYEBDYOZYDN-UHFFFAOYSA-N 0 0 375.453 5.055 50 30 GKEARN Cc1ccccc1/C=C\C(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000096124546 525040710 /nfs/dbraw/zinc/04/07/10/525040710.db2.gz DBKNBNPOVKNBNJ-QINSGFPZSA-N 0 0 397.905 7.068 50 30 GKEARN Cc1ccc(NC(=O)c2c(/N=C\c3ccc(O)cc3)sc3c2CCCC3)cc1 ZINC000015013351 525228006 /nfs/dbraw/zinc/22/80/06/525228006.db2.gz XPCWRZBZHKMQEM-OYKKKHCWSA-N 0 0 390.508 5.644 50 30 GKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000036517305 525228341 /nfs/dbraw/zinc/22/83/41/525228341.db2.gz BHAKLMWJDKFNLD-HXUWFJFHSA-N 0 0 379.500 5.509 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000018106978 525231585 /nfs/dbraw/zinc/23/15/85/525231585.db2.gz JPSRTIPVKBXNMI-AVRWGWEMSA-N 0 0 397.478 5.070 50 30 biogenic,in-vitro GKEARN COc1ccc([C@@H]2CC(=O)C=C(NCc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000100424131 525234807 /nfs/dbraw/zinc/23/48/07/525234807.db2.gz OWNGHCKLXSGQCR-HNNXBMFYSA-N 0 0 376.283 5.122 50 30 GKEARN CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1c1cccc(Cl)c1 ZINC000012371846 525342004 /nfs/dbraw/zinc/34/20/04/525342004.db2.gz FBHWOZPXHZMIJF-NMWGTECJSA-N 0 0 383.948 6.312 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1ccccc1C ZINC000013739366 525342102 /nfs/dbraw/zinc/34/21/02/525342102.db2.gz VKODPLPADIHDKW-FLFQWRMESA-N 0 0 377.557 6.194 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1ccccc1C ZINC000013739299 525342877 /nfs/dbraw/zinc/34/28/77/525342877.db2.gz ZHLZFQGZKZOHGK-LVWGJNHUSA-N 0 0 391.584 6.584 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1Cc1ccccc1 ZINC000100854147 525343210 /nfs/dbraw/zinc/34/32/10/525343210.db2.gz AUIZVMPFPJGONH-LVWGJNHUSA-N 0 0 391.584 6.271 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccs1)C2=O ZINC000245241317 525349935 /nfs/dbraw/zinc/34/99/35/525349935.db2.gz ADNXMRIHODUBNW-DLNBWLCZSA-N 0 0 384.585 5.714 50 30 biogenic GKEARN COc1ccc([C@H](CC/N=C/c2ccccc2O)[C@H]2CCOC(C)(C)C2)cc1 ZINC000100744435 525349904 /nfs/dbraw/zinc/34/99/04/525349904.db2.gz MFJRMYNIXYXNOJ-YXNQUENUSA-N 0 0 381.516 5.199 50 30 biogenic GKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(F)cc1)C2=O ZINC000390834880 525351691 /nfs/dbraw/zinc/35/16/91/525351691.db2.gz LNBARPMJVKUEEH-KAJLVOKLSA-N 0 0 376.471 5.650 50 30 GKEARN O=C1c2ccccc2C(Nc2cccc(Cl)c2)=C1c1ccc(C(F)(F)F)cc1 ZINC000101092687 534852674 /nfs/dbraw/zinc/85/26/74/534852674.db2.gz RORJBHRCXRCJQN-UHFFFAOYSA-N 0 0 399.799 6.536 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1 ZINC000020745457 525400956 /nfs/dbraw/zinc/40/09/56/525400956.db2.gz JKWPECDRTOODDB-SZNDQCEHSA-N 0 0 392.480 5.011 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1 ZINC000020745459 525401222 /nfs/dbraw/zinc/40/12/22/525401222.db2.gz JKWPECDRTOODDB-SPLOXXLWSA-N 0 0 392.480 5.011 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1 ZINC000020732269 525401226 /nfs/dbraw/zinc/40/12/26/525401226.db2.gz FCNAYAICRQMOHO-QRWLVFNGSA-N 0 0 392.480 5.011 50 30 GKEARN COc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2cccs2)c2ccccc2)cc1 ZINC000001389527 525426948 /nfs/dbraw/zinc/42/69/48/525426948.db2.gz JSQYHPONISJPOF-FZVFMAQTSA-N 0 0 377.465 5.122 50 30 GKEARN Cc1cccn2c(/C=N/OCc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc12 ZINC000004024659 525453590 /nfs/dbraw/zinc/45/35/90/525453590.db2.gz KDYRYTYEZDBVKN-DHRITJCHSA-N 0 0 393.849 5.653 50 30 GKEARN COc1ccc2c(c1)C(=O)C(=NN=c1[nH]c3c(ccc4ccccc34)s1)S2 ZINC000102131522 525505565 /nfs/dbraw/zinc/50/55/65/525505565.db2.gz WHLRXASFQCMNKJ-QOCHGBHMSA-N 0 0 391.477 5.172 50 30 GKEARN Cc1c(C=NN=c2cc(C)c3ccccc3[nH]2)nn(-c2ccccc2)c1Cl ZINC000027572247 525520382 /nfs/dbraw/zinc/52/03/82/525520382.db2.gz OTQXHYUDPYAASK-YDZHTSKRSA-N 0 0 375.863 5.137 50 30 GKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000020607822 525533394 /nfs/dbraw/zinc/53/33/94/525533394.db2.gz XDSUORUHJZFDRR-ZFQUPCFGSA-N 0 0 390.498 5.953 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018137893 525592608 /nfs/dbraw/zinc/59/26/08/525592608.db2.gz TYSIWLQUMGEXCP-JOCHJYFZSA-N 0 0 380.919 6.179 50 30 GKEARN COc1ccc2c(c1C)CCC/C2=N/OC(=O)c1cc(SC)ccc1Cl ZINC000004459130 525609683 /nfs/dbraw/zinc/60/96/83/525609683.db2.gz VYSJWSFTSQIUKX-PYCFMQQDSA-N 0 0 389.904 5.276 50 30 GKEARN COc1ccc2cc(CN=Nc3nc4cc(Cl)ccc4nc3Cl)ccc2c1 ZINC000068734581 525621602 /nfs/dbraw/zinc/62/16/02/525621602.db2.gz KFAANBWVMHGVLH-FOKLQQMPSA-N 0 0 397.265 5.544 50 30 GKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000016284600 525627982 /nfs/dbraw/zinc/62/79/82/525627982.db2.gz XRKAJKXITZNZAW-ITYLOYPMSA-N 0 0 384.401 5.677 50 30 GKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 ZINC000006788094 525671290 /nfs/dbraw/zinc/67/12/90/525671290.db2.gz XWUAIFLPDYHDKQ-NTUHNPAUSA-N 0 0 389.476 6.259 50 30 GKEARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000033336102 525676273 /nfs/dbraw/zinc/67/62/73/525676273.db2.gz MADREDXVUDKFKI-RGVLZGJSSA-N 0 0 377.421 5.801 50 30 GKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C\c2cccc(F)c2)cc1 ZINC000222329401 525711753 /nfs/dbraw/zinc/71/17/53/525711753.db2.gz LJBCVEAQPTVXLN-QINSGFPZSA-N 0 0 381.450 6.554 50 30 GKEARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)ON=C4CCCCC4)c3n2)cc1 ZINC000006205342 525732154 /nfs/dbraw/zinc/73/21/54/525732154.db2.gz BNAXAMIBOBOFEE-UHFFFAOYSA-N 0 0 398.413 5.119 50 30 GKEARN COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)c1OC ZINC000004803353 525761548 /nfs/dbraw/zinc/76/15/48/525761548.db2.gz MMJFNEOIZCOIMJ-SDXDJHTJSA-N 0 0 385.419 5.269 50 30 GKEARN Cc1ccncc1Nc1ncccc1C(=O)Nc1ccc(C2(C#N)CCCC2)cc1 ZINC000083291412 525764426 /nfs/dbraw/zinc/76/44/26/525764426.db2.gz MGZNERAVOCFMCU-UHFFFAOYSA-N 0 0 397.482 5.116 50 30 in-vitro GKEARN COc1cccc(C(=O)C=CNc2ccc(Oc3ccccc3OC)cc2)c1 ZINC000013896447 525779165 /nfs/dbraw/zinc/77/91/65/525779165.db2.gz MHJDEKNJJSBMRZ-CCEZHUSRSA-N 0 0 375.424 5.305 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3C)ccc2C1=O ZINC000013758507 525815569 /nfs/dbraw/zinc/81/55/69/525815569.db2.gz SVYUCCBVNINPOD-UNOMPAQXSA-N 0 0 376.433 5.200 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O ZINC000013769593 525816991 /nfs/dbraw/zinc/81/69/91/525816991.db2.gz RXYQOEYNDBROMQ-WQRHYEAKSA-N 0 0 380.396 5.031 50 30 GKEARN Cc1ccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000100501553 525822886 /nfs/dbraw/zinc/82/28/86/525822886.db2.gz DCWUMBICCMQXAO-HRLJDNPUSA-N 0 0 383.407 6.127 50 30 GKEARN Cc1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3o2)cc1 ZINC000102417466 525824323 /nfs/dbraw/zinc/82/43/23/525824323.db2.gz JMFJNFNCODJXQR-CVKSISIWSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 ZINC000102417477 525825812 /nfs/dbraw/zinc/82/58/12/525825812.db2.gz DFZBMNDNIYMQEJ-FSJBWODESA-N 0 0 391.814 6.115 50 30 GKEARN COc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)c2cc3ccccc3o2)c1 ZINC000014017442 525841084 /nfs/dbraw/zinc/84/10/84/525841084.db2.gz ZXZLKAKHXCDWOD-BUHFOSPRSA-N 0 0 398.414 5.557 50 30 GKEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000256965836 525914511 /nfs/dbraw/zinc/91/45/11/525914511.db2.gz QYOIZDDZJSQWGQ-CUWWELFJSA-N 0 0 390.523 5.520 50 30 GKEARN C[C@H](C#N)CN(C)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc21 ZINC000032927058 525919870 /nfs/dbraw/zinc/91/98/70/525919870.db2.gz GQJKBQPFVLIGRR-OAHLLOKOSA-N 0 0 385.496 5.016 50 30 GKEARN Cc1ccc(/C=C(/C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000005555354 525947665 /nfs/dbraw/zinc/94/76/65/525947665.db2.gz AHSFBHVPBBSYLK-JWGURIENSA-N 0 0 397.474 6.347 50 30 GKEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)o1 ZINC000013778660 525959581 /nfs/dbraw/zinc/95/95/81/525959581.db2.gz OMIZDTCENLTFLV-JMIUGGIZSA-N 0 0 384.790 5.576 50 30 GKEARN Cc1ccc(/[NH+]=C(\[O-])Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1F ZINC000028048871 525968579 /nfs/dbraw/zinc/96/85/79/525968579.db2.gz SHTHMOCSFLXWAM-UHFFFAOYSA-N 0 0 395.434 5.253 50 30 GKEARN Cc1ccc(C(=O)/C(=C\c2ccc3c(c2)OCO3)c2nc3ccccc3o2)cc1 ZINC000013584155 526013236 /nfs/dbraw/zinc/01/32/36/526013236.db2.gz UXJXCJSRFNNHEK-LDADJPATSA-N 0 0 383.403 5.288 50 30 GKEARN Cc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000013552655 526013470 /nfs/dbraw/zinc/01/34/70/526013470.db2.gz CQUNDQQCRDSTQT-XMHGGMMESA-N 0 0 384.391 5.468 50 30 GKEARN Cc1ccc(C(=O)/C=C\Sc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000097399197 526015557 /nfs/dbraw/zinc/01/55/57/526015557.db2.gz NPLQAEHXLVVYMR-HJWRWDBZSA-N 0 0 390.348 6.521 50 30 GKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000018059753 526027370 /nfs/dbraw/zinc/02/73/70/526027370.db2.gz RAISSUUIJUCFNM-QFIPXVFZSA-N 0 0 383.447 5.086 50 30 GKEARN Cc1ccc(C(=O)CC#CCSc2nnc(-c3cccc4ccccc43)o2)cc1 ZINC000004776395 526033993 /nfs/dbraw/zinc/03/39/93/526033993.db2.gz PMNUVEUGCRVBIE-UHFFFAOYSA-N 0 0 398.487 5.567 50 30 GKEARN Cc1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc([N+](=O)[O-])c1C ZINC000015722825 526039656 /nfs/dbraw/zinc/03/96/56/526039656.db2.gz NWANHRPLGUIAJY-JAIQZWGSSA-N 0 0 377.421 5.801 50 30 GKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3cccc(F)c3)c(-c3ccccc3)c2c1 ZINC000098059429 526096264 /nfs/dbraw/zinc/09/62/64/526096264.db2.gz WAECCQUMQRNPRB-QBFSEMIESA-N 0 0 383.422 5.539 50 30 GKEARN COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000013482593 526137507 /nfs/dbraw/zinc/13/75/07/526137507.db2.gz ZTQVXCWBAVXCSE-UHFFFAOYSA-N 0 0 376.525 5.615 50 30 GKEARN CSc1ccccc1NC(=O)CN(C)C(c1ccccc1)c1ccccc1 ZINC000082087962 526144698 /nfs/dbraw/zinc/14/46/98/526144698.db2.gz LWQYMMWRVUULIV-UHFFFAOYSA-N 0 0 376.525 5.718 50 30 GKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccco1 ZINC000017015515 526209526 /nfs/dbraw/zinc/20/95/26/526209526.db2.gz CDCCTBKHXGWFTL-UPCLLVRISA-N 0 0 398.462 5.346 50 30 GKEARN C[C@H]1CC/C(=C\c2ccc3ccccc3c2)C(=O)/C1=C/c1ccc2ccccc2c1 ZINC000102265887 526231864 /nfs/dbraw/zinc/23/18/64/526231864.db2.gz QNLVDFIRFSFTSB-VCGWEGALSA-N 0 0 388.510 7.459 50 30 GKEARN Cc1ccc(C(=O)O/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn32)cc1 ZINC000001402738 526236325 /nfs/dbraw/zinc/23/63/25/526236325.db2.gz BMRAHZAPNVGROY-ZMOGYAJESA-N 0 0 389.842 5.154 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c([N+](=O)[O-])c3)cc2)cc1 ZINC000100134786 526238342 /nfs/dbraw/zinc/23/83/42/526238342.db2.gz CJUFHJCSXMROMQ-YDZHTSKRSA-N 0 0 378.359 5.012 50 30 GKEARN Cc1ccc(C(C)C)c(OCCNC(=S)Nc2cccc3ccccc32)c1 ZINC000013482183 526248298 /nfs/dbraw/zinc/24/82/98/526248298.db2.gz FYHJDLFXYHVCBK-UHFFFAOYSA-N 0 0 378.541 6.048 50 30 GKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3cccc(C)c3O)cc2)o1 ZINC000004280951 526255777 /nfs/dbraw/zinc/25/57/77/526255777.db2.gz GLPMNLCUGYEFFH-CVKSISIWSA-N 0 0 385.463 6.434 50 30 GKEARN Fc1c(F)c(F)c(C(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000100479292 526292034 /nfs/dbraw/zinc/29/20/34/526292034.db2.gz IHKQBQOJQGQFLU-UHFFFAOYSA-N 0 0 384.119 5.218 50 30 GKEARN Fc1ccc(COc2ccc(/C=N\c3ccc(F)cc3F)cc2Cl)cc1 ZINC000100415573 526342007 /nfs/dbraw/zinc/34/20/07/526342007.db2.gz QSFMSAQEICAYQT-GATIEOLUSA-N 0 0 375.777 6.087 50 30 GKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000100508753 526370150 /nfs/dbraw/zinc/37/01/50/526370150.db2.gz KZEFGYDDROEZOH-WSDLNYQXSA-N 0 0 393.240 5.714 50 30 GKEARN Oc1ccccc1/C=N/c1ccc(-c2ccc(/N=C\c3ccccc3O)cc2)cc1 ZINC000086041033 526370413 /nfs/dbraw/zinc/37/04/13/526370413.db2.gz VKLNOWFMZZJWHF-HJVIKEODSA-N 0 0 392.458 6.266 50 30 GKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccco1 ZINC000036106136 526380290 /nfs/dbraw/zinc/38/02/90/526380290.db2.gz JSTRNQGPNBUBMK-UHFFFAOYSA-N 0 0 396.512 5.069 50 30 GKEARN CC(=Cc1ccccc1)C=C1SC(=Nc2cccc(Br)c2)NC1=O ZINC000006261731 526387094 /nfs/dbraw/zinc/38/70/94/526387094.db2.gz VSXFIECANWKPBU-NEOBQEPSSA-N 0 0 399.313 6.127 50 30 GKEARN Fc1cccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 ZINC000004024649 526388609 /nfs/dbraw/zinc/38/86/09/526388609.db2.gz DWQMQFLGZFVXNS-WYMPLXKRSA-N 0 0 379.822 5.345 50 30 GKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1cccc2ccccc21 ZINC000003112644 526439264 /nfs/dbraw/zinc/43/92/64/526439264.db2.gz LWKATLFPEFALTL-WGOQTCKBSA-N 0 0 385.850 6.463 50 30 GKEARN N#CCCN(c1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1 ZINC000002931239 526458847 /nfs/dbraw/zinc/45/88/47/526458847.db2.gz PUPXAPQFOHRXCK-UHFFFAOYSA-N 0 0 381.504 6.529 50 30 GKEARN c1ccc(C/C(=N/N=C(/Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000004947605 526460657 /nfs/dbraw/zinc/46/06/57/526460657.db2.gz HWHDZCPTMRTNPT-ZUELCTOOSA-N 0 0 388.514 6.365 50 30 GKEARN N#CCCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000013284601 526463500 /nfs/dbraw/zinc/46/35/00/526463500.db2.gz INCUPCBLGRXGKK-UHFFFAOYSA-N 0 0 381.913 6.008 50 30 GKEARN N#CCCn1cc(C(=O)COc2ccc(Cl)c3cccnc23)c2ccccc21 ZINC000007612259 526465966 /nfs/dbraw/zinc/46/59/66/526465966.db2.gz FQKWAPSAKRVKRD-UHFFFAOYSA-N 0 0 389.842 5.018 50 30 GKEARN N#CCCn1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c(-c2ccccc2)n1 ZINC000005899881 526466536 /nfs/dbraw/zinc/46/65/36/526466536.db2.gz XBFMZWHTMFYDRK-ACCUITESSA-N 0 0 395.422 5.091 50 30 GKEARN N#CCCn1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)c(-c2ccccc2)n1 ZINC000006652410 526466852 /nfs/dbraw/zinc/46/68/52/526466852.db2.gz QHZPABNRQSBJOL-ZHACJKMWSA-N 0 0 395.422 5.091 50 30 GKEARN N#CCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC000007147603 526480923 /nfs/dbraw/zinc/48/09/23/526480923.db2.gz JCDKLOBQNDOMAN-UHFFFAOYSA-N 0 0 395.454 5.030 50 30 GKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccccc1C(F)(F)F ZINC000013575666 526505189 /nfs/dbraw/zinc/50/51/89/526505189.db2.gz SBUACWAOVAAXAS-FOKLQQMPSA-N 0 0 375.419 5.947 50 30 GKEARN N#Cc1c(/N=C/c2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000018058878 526517015 /nfs/dbraw/zinc/51/70/15/526517015.db2.gz AQCGLONIKRDOAD-JVWAILMASA-N 0 0 382.850 6.889 50 30 GKEARN N#Cc1c(/N=C/c2nc3ccccc3[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000100419469 526517377 /nfs/dbraw/zinc/51/73/77/526517377.db2.gz TYXJDTHLAZJVST-JVWAILMASA-N 0 0 388.430 6.112 50 30 GKEARN N#Cc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(C#N)cc3)c2)cc1 ZINC000005943723 526587569 /nfs/dbraw/zinc/58/75/69/526587569.db2.gz ZETCIVGEOMYJRF-VOMDNODZSA-N 0 0 388.426 5.222 50 30 GKEARN Cc1nc(/C=C/c2ccc(C#N)cc2)sc1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096402174 526628757 /nfs/dbraw/zinc/62/87/57/526628757.db2.gz WMJMEHALUHVKRE-PJABCKPXSA-N 0 0 381.460 5.261 50 30 GKEARN N#Cc1cccc(C(=O)/C=C/c2cccc(/C=C\C(=O)c3cccc(C#N)c3)c2)c1 ZINC000096130146 526696151 /nfs/dbraw/zinc/69/61/51/526696151.db2.gz BATGPFFYYHXOHJ-PJABCKPXSA-N 0 0 388.426 5.222 50 30 GKEARN Cc1onc(-c2ccccc2)c1-c1csc(N=NCc2ccccc2Cl)n1 ZINC000004394657 526843741 /nfs/dbraw/zinc/84/37/41/526843741.db2.gz XUIDWUNEQNKKFL-SSDVNMTOSA-N 0 0 394.887 5.873 50 30 GKEARN Clc1ccc(CO/N=C/c2cccnc2Sc2ccccc2)cc1Cl ZINC000005485930 526949440 /nfs/dbraw/zinc/94/94/40/526949440.db2.gz KKCPXJKGKSKADQ-FSJBWODESA-N 0 0 389.307 6.090 50 30 GKEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccccc1Oc1ccccc1 ZINC000000650233 526961314 /nfs/dbraw/zinc/96/13/14/526961314.db2.gz CKFKZNWLKCOMLU-UHFFFAOYSA-N 0 0 383.447 5.491 50 30 GKEARN Clc1ccc2c(Cl)cc(/C=N\c3ccc(Br)cc3)nc2c1 ZINC000100283012 526964579 /nfs/dbraw/zinc/96/45/79/526964579.db2.gz KUZTYYVAKGQKKS-UKWGHVSLSA-N 0 0 380.072 6.055 50 30 GKEARN Clc1ccc2c(N=NC(Cc3ccccc3)Cc3ccccc3)ccnc2c1 ZINC000005572050 526967920 /nfs/dbraw/zinc/96/79/20/526967920.db2.gz JJKIILSCVMZRBV-UHFFFAOYSA-N 0 0 385.898 6.142 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1)c1ccccc1N2 ZINC000021722484 526969744 /nfs/dbraw/zinc/96/97/44/526969744.db2.gz NVCXNOQXVFZHRB-DEOSSOPVSA-N 0 0 386.520 5.929 50 30 GKEARN Clc1ccccc1CN=Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004803397 526987961 /nfs/dbraw/zinc/98/79/61/526987961.db2.gz DQVRWJJRRJFUSA-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000018142513 527025009 /nfs/dbraw/zinc/02/50/09/527025009.db2.gz MNNYYWDJMGQQHK-AVRWGWEMSA-N 0 0 382.463 5.372 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000018142517 527032942 /nfs/dbraw/zinc/03/29/42/527032942.db2.gz MNNYYWDJMGQQHK-IQGLISFBSA-N 0 0 382.463 5.372 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000651662 527033437 /nfs/dbraw/zinc/03/34/37/527033437.db2.gz GCPKPCZKYFAWCT-CMJOXMDJSA-N 0 0 388.492 5.433 50 30 GKEARN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000007141510 527117001 /nfs/dbraw/zinc/11/70/01/527117001.db2.gz QRPPVVILVWRKMT-XXBNENTESA-N 0 0 397.503 5.283 50 30 GKEARN O=C1c2c(nc3ccccc3c2-c2ccccc2)CO/C1=C\c1ccccc1O ZINC000096319351 527121473 /nfs/dbraw/zinc/12/14/73/527121473.db2.gz UOOQRFRNJKYYGC-HMAPJEAMSA-N 0 0 379.415 5.361 50 30 GKEARN O=[N+]([O-])c1ccc(F)c(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c1 ZINC000066088696 527356522 /nfs/dbraw/zinc/35/65/22/527356522.db2.gz VELQFLHZUSBLEB-AERZKKPOSA-N 0 0 396.127 5.506 50 30 GKEARN O=C(Cc1cccc(F)c1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000045961127 527499313 /nfs/dbraw/zinc/49/93/13/527499313.db2.gz GPNWSKDEDNKSFF-UHFFFAOYSA-N 0 0 394.446 5.507 50 30 GKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2cccc(Cl)c2)n1 ZINC000031885760 527499779 /nfs/dbraw/zinc/49/97/79/527499779.db2.gz FEVQPSCLUFCXFS-FBHDLOMBSA-N 0 0 381.844 5.016 50 30 GKEARN O=c1oc2ccc(Cl)cc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000004813766 527500005 /nfs/dbraw/zinc/50/00/05/527500005.db2.gz AUDPFOVNFTWOMO-UFFVCSGVSA-N 0 0 381.844 5.016 50 30 GKEARN O/N=C(\CCCCCC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004836765 527586814 /nfs/dbraw/zinc/58/68/14/527586814.db2.gz YPCAVKWZZNZNJE-BLVCXSLXSA-N 0 0 393.314 6.391 50 30 GKEARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)c1 ZINC000328594184 527590294 /nfs/dbraw/zinc/59/02/94/527590294.db2.gz XMVUDHCDNUPYKR-INIZCTEOSA-N 0 0 380.492 5.198 50 30 GKEARN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccc(OCCCF)cc1 ZINC000100418659 527598446 /nfs/dbraw/zinc/59/84/46/527598446.db2.gz RHRCIRNPBFZFCK-BMRADRMJSA-N 0 0 391.442 6.026 50 30 GKEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)cc1 ZINC000005687616 527606764 /nfs/dbraw/zinc/60/67/64/527606764.db2.gz WZVQZUJKXKBICA-WUXMJOGZSA-N 0 0 384.863 5.525 50 30 GKEARN O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012818259 527618018 /nfs/dbraw/zinc/61/80/18/527618018.db2.gz BYCWUFAMOORLII-RMKNXTFCSA-N 0 0 389.398 5.637 50 30 GKEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(F)ccc1OCc1ccccc1 ZINC000004772591 527620508 /nfs/dbraw/zinc/62/05/08/527620508.db2.gz NIYHCDRQPFHLCZ-RMKNXTFCSA-N 0 0 390.410 5.072 50 30 GKEARN O=C(/C=C/c1ccccc1)/C=C/c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1 ZINC000002154806 527629518 /nfs/dbraw/zinc/62/95/18/527629518.db2.gz AHEKEFUUCDXYPS-INFGCDKVSA-N 0 0 390.482 6.278 50 30 GKEARN O=C(/C=C\Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000005513240 527652819 /nfs/dbraw/zinc/65/28/19/527652819.db2.gz QHZJPUADIYYWMJ-WAYWQWQTSA-N 0 0 378.202 5.896 50 30 GKEARN O=C(/C=C\c1c2ccccc2cc2ccccc21)c1cccc(Br)c1 ZINC000033374029 527653895 /nfs/dbraw/zinc/65/38/95/527653895.db2.gz OOYGRLHZCLKWNG-SEYXRHQNSA-N 0 0 387.276 6.652 50 30 GKEARN O=C(/C=C\c1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000096767059 527655617 /nfs/dbraw/zinc/65/56/17/527655617.db2.gz QDSJNTQFCZNVDM-NVNXTCNLSA-N 0 0 385.463 5.212 50 30 GKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1 ZINC000034848724 527659070 /nfs/dbraw/zinc/65/90/70/527659070.db2.gz ZEJGJQDBKAHJLH-NXVVXOECSA-N 0 0 390.442 6.182 50 30 GKEARN O=C(/C=C\c1ccco1)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000096133856 527659287 /nfs/dbraw/zinc/65/92/87/527659287.db2.gz IUFVGAIXIFGCKL-QXMHVHEDSA-N 0 0 375.811 5.338 50 30 GKEARN FC(F)(F)/C(=N\Sc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000086041032 527661514 /nfs/dbraw/zinc/66/15/14/527661514.db2.gz SZWFRWPBYPGIMK-XHPQRKPJSA-N 0 0 397.425 6.060 50 30 GKEARN CCCCCCCC(=O)NCc1cccc(-c2nc(-c3ccc(F)cc3)c[nH]2)c1 ZINC000097940617 528118710 /nfs/dbraw/zinc/11/87/10/528118710.db2.gz QVENRNPWOPZNBB-UHFFFAOYSA-N 0 0 393.506 5.860 50 30 GKEARN CCCCCCCC(=O)Nc1nnc(SCc2cc(C)cc(C)c2)s1 ZINC000098021278 528120231 /nfs/dbraw/zinc/12/02/31/528120231.db2.gz JUGGNPUAOJXVCX-UHFFFAOYSA-N 0 0 377.579 5.746 50 30 GKEARN CCCCCCCc1c2c(C)c(C(=O)OCC)nc-2cc2n1[C@@H](C)C(C)=C2C ZINC000003671346 528139600 /nfs/dbraw/zinc/13/96/00/528139600.db2.gz KKMTVJSSINAMEO-SFHVURJKSA-N 0 0 382.548 6.354 50 30 GKEARN CC1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C\c2cccc3ccccc23)C1 ZINC000006459625 528153720 /nfs/dbraw/zinc/15/37/20/528153720.db2.gz KNBJEGHCMCXVDN-BCRMPINCSA-N 0 0 388.510 7.459 50 30 GKEARN CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006053081 528688531 /nfs/dbraw/zinc/68/85/31/528688531.db2.gz WEFHTCFYNPYSJJ-FQEVSTJZSA-N 0 0 398.890 5.030 50 30 GKEARN CCCCc1ccc(/N=C/c2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 ZINC000001692748 529019275 /nfs/dbraw/zinc/01/92/75/529019275.db2.gz OWDOPPGNUYIHFQ-VFIVCBTMSA-N 0 0 396.578 7.873 50 30 GKEARN CC[C@H](C)c1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1 ZINC000003311407 529273568 /nfs/dbraw/zinc/27/35/68/529273568.db2.gz GUMSICHFTPGDCB-KRWDZBQOSA-N 0 0 384.479 5.588 50 30 GKEARN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccccc1OCc1ccccc1 ZINC000002848896 538558963 /nfs/dbraw/zinc/55/89/63/538558963.db2.gz BENJHAJBGPWXHE-ZXVVBBHZSA-N 0 0 378.475 6.760 50 30 GKEARN CCOc1ccc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000000680936 570216923 /nfs/dbraw/zinc/21/69/23/570216923.db2.gz OYAFILYMEHJYRI-BUVRLJJBSA-N 0 0 378.859 5.742 50 30 GKEARN COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2cccc3ccccc32)cc1 ZINC000005064968 570217564 /nfs/dbraw/zinc/21/75/64/570217564.db2.gz KPQJPNXBYWVTTC-DEOSSOPVSA-N 0 0 396.446 5.925 50 30 GKEARN CC1(C)CC(=O)C(C(c2ccccc2F)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000096186652 570218608 /nfs/dbraw/zinc/21/86/08/570218608.db2.gz HXOJVIYKTFZXFL-UHFFFAOYSA-N 0 0 386.463 5.312 50 30 GKEARN COc1ccc(NC(=O)c2ccccc2NCc2ccccc2C#N)cc1Cl ZINC000011551211 570219108 /nfs/dbraw/zinc/21/91/08/570219108.db2.gz AGJTWUAAZZRSFZ-UHFFFAOYSA-N 0 0 391.858 5.085 50 30 GKEARN CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(c2ccccc2)C(=O)N1c1ccccc1 ZINC000000707767 570219329 /nfs/dbraw/zinc/21/93/29/570219329.db2.gz KZWAARIHHJFPDI-OAQYLSRUSA-N 0 0 388.294 5.233 50 30 GKEARN C[C@@H]1CC2=CCCC(C)(C)[C@@H]2C[C@@H]1CN=Nc1nnc2c3ccccc3[nH]c2n1 ZINC000000725725 570221065 /nfs/dbraw/zinc/22/10/65/570221065.db2.gz ZJMNWWOSWJJSTK-UTUNKPCOSA-N 0 0 388.519 5.313 50 30 biogenic GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000000752130 570222032 /nfs/dbraw/zinc/22/20/32/570222032.db2.gz KPAWWHQQBOQJPI-XMMPIXPASA-N 0 0 398.462 6.058 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Br)cc1 ZINC000000756499 570222270 /nfs/dbraw/zinc/22/22/70/570222270.db2.gz APHHLZHXKVMCBR-HXUWFJFHSA-N 0 0 397.316 5.671 50 30 GKEARN CCc1nc2ccc(C(=O)O/C(=N/C3CCCCC3)NC3CCCCC3)cc2o1 ZINC000085389305 570224457 /nfs/dbraw/zinc/22/44/57/570224457.db2.gz OUSXAGVGDOADET-UHFFFAOYSA-N 0 0 397.519 5.158 50 30 GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000815778 570224816 /nfs/dbraw/zinc/22/48/16/570224816.db2.gz RDSXILGVSCBBIY-NPMXOYFQSA-N 0 0 388.492 5.433 50 30 GKEARN O=[N+]([O-])c1ccc(-n2cccc2/C=N\C(c2ccccc2)c2ccccc2)cc1 ZINC000109987414 570224914 /nfs/dbraw/zinc/22/49/14/570224914.db2.gz BRAQGSKLMORSHR-BWAHOGKJSA-N 0 0 381.435 5.594 50 30 GKEARN C=CCN(C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C)c1ccccc1 ZINC000048264921 570225309 /nfs/dbraw/zinc/22/53/09/570225309.db2.gz FZOREGUNNBFONC-UHFFFAOYSA-N 0 0 389.480 5.401 50 30 GKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000883181 570228386 /nfs/dbraw/zinc/22/83/86/570228386.db2.gz USDNQVRLHNGZGC-HFJWLAOPSA-N 0 0 396.490 5.675 50 30 GKEARN COc1cccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000975452 570232615 /nfs/dbraw/zinc/23/26/15/570232615.db2.gz TXWICOHHEWHAAY-HSZRJFAPSA-N 0 0 383.491 6.049 50 30 GKEARN C=CCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000011614208 570235591 /nfs/dbraw/zinc/23/55/91/570235591.db2.gz RPWDRRNMCQJASJ-HEHNFIMWSA-N 0 0 381.431 5.816 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000001043874 570237898 /nfs/dbraw/zinc/23/78/98/570237898.db2.gz RIMDQYCVLAEWAV-UHFFFAOYSA-N 0 0 384.309 5.308 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000051366960 570238745 /nfs/dbraw/zinc/23/87/45/570238745.db2.gz NGSNJSSGLRAOBF-NAZSODNNSA-N 0 0 379.529 5.019 50 30 GKEARN N#C[C@@H](c1ccccc1)c1ccc(NCC(=O)Nc2ccccc2F)cc1Cl ZINC000006083920 570239571 /nfs/dbraw/zinc/23/95/71/570239571.db2.gz NNASMQRWILGZTC-SFHVURJKSA-N 0 0 393.849 5.185 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1 ZINC000001077604 570240870 /nfs/dbraw/zinc/24/08/70/570240870.db2.gz BATTWXKCODIJDU-NFQMXDRXSA-N 0 0 394.518 6.283 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1 ZINC000001077608 570241099 /nfs/dbraw/zinc/24/10/99/570241099.db2.gz BATTWXKCODIJDU-HRFSGMKKSA-N 0 0 394.518 6.283 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 ZINC000001076912 570241113 /nfs/dbraw/zinc/24/11/13/570241113.db2.gz WJALYJZEKZQZGL-BCHFMIIMSA-N 0 0 398.481 6.114 50 30 GKEARN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccs1 ZINC000006101830 570244469 /nfs/dbraw/zinc/24/44/69/570244469.db2.gz XAMZRKKJCUBBCM-KPKJPENVSA-N 0 0 388.823 5.312 50 30 GKEARN C=CCOc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1 ZINC000015016644 570246817 /nfs/dbraw/zinc/24/68/17/570246817.db2.gz PHPTWPMNDLTACF-QHCPKHFHSA-N 0 0 397.478 5.410 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccnc1 ZINC000001077446 570251423 /nfs/dbraw/zinc/25/14/23/570251423.db2.gz XKAAEVNLHJVSKL-UHFFFAOYSA-N 0 0 377.300 5.125 50 30 GKEARN C=CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001769092 570252454 /nfs/dbraw/zinc/25/24/54/570252454.db2.gz FMXLWKDLHJZXEN-UHFFFAOYSA-N 0 0 390.357 5.786 50 30 GKEARN C=CCn1c(SCc2cccc(C)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002336182 570252746 /nfs/dbraw/zinc/25/27/46/570252746.db2.gz UPRNFPSOQSBLKQ-UHFFFAOYSA-N 0 0 382.554 5.124 50 30 GKEARN Cc1ccc2c(c1)N[C@@H](c1cccs1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001216261 570258939 /nfs/dbraw/zinc/25/89/39/570258939.db2.gz UFPYOCJELMMWDZ-XDHUDOTRSA-N 0 0 386.520 6.036 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000001227222 570259185 /nfs/dbraw/zinc/25/91/85/570259185.db2.gz RVKPKNXATRTURO-UHFFFAOYSA-N 0 0 384.903 5.740 50 30 GKEARN Cc1cccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000001431396 570263079 /nfs/dbraw/zinc/26/30/79/570263079.db2.gz GLOXFZMAFBALMA-HSZRJFAPSA-N 0 0 379.463 5.517 50 30 GKEARN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(C)cc2)cc1 ZINC000001470008 570263806 /nfs/dbraw/zinc/26/38/06/570263806.db2.gz FEQKDPUYTKULAH-MFKUBSTISA-N 0 0 382.467 5.114 50 30 GKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000001458975 570263851 /nfs/dbraw/zinc/26/38/51/570263851.db2.gz JFOBHJSTTYLBTD-VOIUYBSRSA-N 0 0 386.451 5.268 50 30 GKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)C[C@H](C(C)C)OC3 ZINC000001817415 570268943 /nfs/dbraw/zinc/26/89/43/570268943.db2.gz BRACJTICTADLJW-CQSZACIVSA-N 0 0 379.595 5.433 50 30 GKEARN O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccccc1Cl ZINC000001884619 570269878 /nfs/dbraw/zinc/26/98/78/570269878.db2.gz YFLQFDZXESLSSH-YDZHTSKRSA-N 0 0 398.687 6.084 50 30 GKEARN C=CCCCCCCOC(=O)C12CC(C(=O)OCCCCCCC=C)(C1)C2 ZINC000043198593 570271399 /nfs/dbraw/zinc/27/13/99/570271399.db2.gz IIHNSTMFXIWPFN-UHFFFAOYSA-N 0 0 376.537 5.516 50 30 GKEARN C=C[C@@]12CC[C@@H]([C@@H](OCc3ccc(OC)cc3)[C@]1(O)C1=CCCCC1)C2(C)C ZINC000071786731 570272444 /nfs/dbraw/zinc/27/24/44/570272444.db2.gz QVXCKVPINRADHG-TVYALGDOSA-N 0 0 382.544 5.434 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000002055460 570272882 /nfs/dbraw/zinc/27/28/82/570272882.db2.gz GBBVONKEWZWGEI-HXUWFJFHSA-N 0 0 387.907 5.041 50 30 GKEARN O=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1Br ZINC000002057042 570272911 /nfs/dbraw/zinc/27/29/11/570272911.db2.gz ZDJXKXHOCPCJOJ-UHFFFAOYSA-N 0 0 378.225 5.039 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000002068276 570273140 /nfs/dbraw/zinc/27/31/40/570273140.db2.gz RBRLWBBXFYCLQJ-NHCUHLMSSA-N 0 0 399.531 5.412 50 30 GKEARN CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000002068250 570273187 /nfs/dbraw/zinc/27/31/87/570273187.db2.gz GUBSRCCRTWXLAN-UHFFFAOYSA-N 0 0 393.483 5.533 50 30 GKEARN CCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002084364 570273996 /nfs/dbraw/zinc/27/39/96/570273996.db2.gz PMXMYYUBVBMIOB-UHFFFAOYSA-N 0 0 399.387 7.196 50 30 GKEARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C=Cc3ccccc3)cc2)cc1 ZINC000005764283 570275845 /nfs/dbraw/zinc/27/58/45/570275845.db2.gz AWMUPDPFDIRGCS-SXGWCWSVSA-N 0 0 392.480 5.097 50 30 GKEARN N#Cc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 ZINC000006140665 570276548 /nfs/dbraw/zinc/27/65/48/570276548.db2.gz UQCQIZQPLDAHSZ-UHFFFAOYSA-N 0 0 394.569 5.600 50 30 GKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002183046 570277565 /nfs/dbraw/zinc/27/75/65/570277565.db2.gz MNIKIONAHJFILX-UHFFFAOYSA-N 0 0 398.597 5.998 50 30 GKEARN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000002184987 570277852 /nfs/dbraw/zinc/27/78/52/570277852.db2.gz IKKDEKJOTRYZJH-FTJNEJEMSA-N 0 0 384.504 5.799 50 30 GKEARN CCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000006160081 570278130 /nfs/dbraw/zinc/27/81/30/570278130.db2.gz OKYOUSZSPKCEDJ-UHFFFAOYSA-N 0 0 382.511 5.779 50 30 GKEARN CCc1cccc(C)c1NC(=O)CSc1nc2ccc(C)cc2cc1C#N ZINC000000649423 570280686 /nfs/dbraw/zinc/28/06/86/570280686.db2.gz FSJLYWXAGADZSN-UHFFFAOYSA-N 0 0 375.497 5.017 50 30 GKEARN Cc1ccccc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 ZINC000101091669 570280842 /nfs/dbraw/zinc/28/08/42/570280842.db2.gz VKBQBGUJQOHOGM-UHFFFAOYSA-N 0 0 379.381 6.191 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C12 ZINC000002359447 570284300 /nfs/dbraw/zinc/28/43/00/570284300.db2.gz WUOIUOZZGTZHLE-AREMUKBSSA-N 0 0 391.495 6.706 50 30 GKEARN CSc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002426129 570286522 /nfs/dbraw/zinc/28/65/22/570286522.db2.gz LPEGACJKSZRARZ-QHCPKHFHSA-N 0 0 387.529 6.275 50 30 GKEARN CCOc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000002441890 570287324 /nfs/dbraw/zinc/28/73/24/570287324.db2.gz OWYMXDCKUTYSIN-XMMPIXPASA-N 0 0 385.488 5.952 50 30 GKEARN CC[C@@H](Sc1nc(C)cc(C)c1C#N)C(=O)Nc1ccc2ccccc2c1 ZINC000000691786 570292175 /nfs/dbraw/zinc/29/21/75/570292175.db2.gz VFIFODJSNXPHSH-HXUWFJFHSA-N 0 0 375.497 5.233 50 30 GKEARN C[C@H]1C/C(=C\c2ccc3ccccc3c2)C(=O)/C(=C\c2cccc3ccccc23)C1 ZINC000004825949 570294399 /nfs/dbraw/zinc/29/43/99/570294399.db2.gz OQDQFJMHJDIRAD-RCHCPKIQSA-N 0 0 388.510 7.459 50 30 GKEARN Cc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000004826403 570294674 /nfs/dbraw/zinc/29/46/74/570294674.db2.gz HSUXRFZLLWMVMF-CTVDDJEBSA-N 0 0 378.515 6.917 50 30 GKEARN CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccncc1 ZINC000014189808 570295357 /nfs/dbraw/zinc/29/53/57/570295357.db2.gz SMOADTKPHXSJDX-UHFFFAOYSA-N 0 0 397.507 5.191 50 30 GKEARN N#Cc1cc2c(nc1SCc1cc3c(cc1Cl)OCO3)CCCCCC2 ZINC000000706767 570296745 /nfs/dbraw/zinc/29/67/45/570296745.db2.gz XQRVXOIAPNIINL-UHFFFAOYSA-N 0 0 386.904 5.287 50 30 GKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc5ccccc5c4)cc3)sc2c1 ZINC000002816331 570304745 /nfs/dbraw/zinc/30/47/45/570304745.db2.gz OUHOKLJPLDGXDL-WGOQTCKBSA-N 0 0 378.500 7.176 50 30 GKEARN CC(C)=CCOc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1 ZINC000002834941 570305631 /nfs/dbraw/zinc/30/56/31/570305631.db2.gz CTZDHCMXRRVIFH-ZHZULCJRSA-N 0 0 395.549 5.935 50 30 GKEARN CCCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000100167505 570312958 /nfs/dbraw/zinc/31/29/58/570312958.db2.gz ZKRGAIQQCVRAAB-KNTRCKAVSA-N 0 0 376.928 5.605 50 30 GKEARN C=C(C)CN(CC)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000023446948 570324423 /nfs/dbraw/zinc/32/44/23/570324423.db2.gz NJHLCTQASFHYNJ-UHFFFAOYSA-N 0 0 395.506 6.492 50 30 GKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000006199542 570325701 /nfs/dbraw/zinc/32/57/01/570325701.db2.gz JVFNRSJKBZZTSE-CPNJWEJPSA-N 0 0 381.522 5.274 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC ZINC000007744539 570326744 /nfs/dbraw/zinc/32/67/44/570326744.db2.gz NDKGGKWTWHSAJL-SOFGYWHQSA-N 0 0 390.863 5.049 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(F)cc1 ZINC000003119654 570329094 /nfs/dbraw/zinc/32/90/94/570329094.db2.gz UYVFXNMGLBSIQO-ISKFKSNPSA-N 0 0 388.438 5.298 50 30 GKEARN CCCCCCCCCCn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 ZINC000003129982 570330061 /nfs/dbraw/zinc/33/00/61/570330061.db2.gz IECIGBHIMWKNMZ-UHFFFAOYSA-N 0 0 397.475 6.752 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccc(Br)cc1 ZINC000003138130 570330420 /nfs/dbraw/zinc/33/04/20/570330420.db2.gz BOYUWRVHTCLLJC-SLTDHEAWSA-N 0 0 391.264 5.849 50 30 GKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000003195418 570332285 /nfs/dbraw/zinc/33/22/85/570332285.db2.gz IEIJXLZPNPQBOU-UHFFFAOYSA-N 0 0 379.456 5.005 50 30 GKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O ZINC000003196324 570332409 /nfs/dbraw/zinc/33/24/09/570332409.db2.gz OVJVMRZBYBGNBP-UHFFFAOYSA-N 0 0 393.483 5.313 50 30 GKEARN O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1 ZINC000003211789 570332731 /nfs/dbraw/zinc/33/27/31/570332731.db2.gz XNFLSUDBFXXQJQ-MOSHPQCFSA-N 0 0 392.863 5.889 50 30 GKEARN Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 ZINC000003663702 570349614 /nfs/dbraw/zinc/34/96/14/570349614.db2.gz SSPDTUMXMXJBMF-CENQWQLUSA-N 0 0 398.531 6.420 50 30 GKEARN COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1OC ZINC000004859814 570349811 /nfs/dbraw/zinc/34/98/11/570349811.db2.gz GKMUQUATHSONAX-JXAWBTAJSA-N 0 0 385.419 5.269 50 30 GKEARN COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1O ZINC000003666077 570349950 /nfs/dbraw/zinc/34/99/50/570349950.db2.gz MCBIJAYNLHBHFQ-JVWAILMASA-N 0 0 394.430 5.950 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3noc4c3CCCCC4)sc2C1 ZINC000004881303 570354413 /nfs/dbraw/zinc/35/44/13/570354413.db2.gz LFJDGOOGHKSHIG-ZDUSSCGKSA-N 0 0 397.544 5.280 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000004046825 570355550 /nfs/dbraw/zinc/35/55/50/570355550.db2.gz HKSQUGXOIMEPKO-SANMLTNESA-N 0 0 394.518 6.576 50 30 GKEARN C=CCSC1=N/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004883275 570356300 /nfs/dbraw/zinc/35/63/00/570356300.db2.gz NIZYLDVOWQZCBA-YVLHZVERSA-N 0 0 390.842 5.281 50 30 GKEARN CCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000004889366 570356479 /nfs/dbraw/zinc/35/64/79/570356479.db2.gz OTYYFZLLXQGSDJ-YYLNTILESA-N 0 0 393.527 6.120 50 30 GKEARN CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004898492 570358410 /nfs/dbraw/zinc/35/84/10/570358410.db2.gz PWVKRDRWQVOXOX-PPPMLJSVSA-N 0 0 391.496 5.067 50 30 GKEARN CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899327 570358627 /nfs/dbraw/zinc/35/86/27/570358627.db2.gz AXNFSPPJHCLVRS-PTHMFHIQSA-N 0 0 387.508 5.084 50 30 GKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898414 570359169 /nfs/dbraw/zinc/35/91/69/570359169.db2.gz MZEUQPDYXQTRDH-HHKSSKBBSA-N 0 0 397.519 5.158 50 30 GKEARN N#C[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006282374 570360903 /nfs/dbraw/zinc/36/09/03/570360903.db2.gz GPCHYAHWICKYDR-NRFANRHFSA-N 0 0 396.368 5.666 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 ZINC000004199722 570362654 /nfs/dbraw/zinc/36/26/54/570362654.db2.gz HALYYPSSMMGSJS-BCHFMIIMSA-N 0 0 396.490 5.680 50 30 GKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000004910634 570363240 /nfs/dbraw/zinc/36/32/40/570363240.db2.gz ZUHJQWILXLUPQH-GSGORFQQSA-N 0 0 399.947 5.364 50 30 GKEARN CC(=O)[C@]12CC(C)=C(C)C[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913461 570366800 /nfs/dbraw/zinc/36/68/00/570366800.db2.gz DWXXDCFQXAHBDL-VJZIFSDESA-N 0 0 394.599 6.450 50 30 GKEARN COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2Br)c2ccccc12 ZINC000004309429 570367163 /nfs/dbraw/zinc/36/71/63/570367163.db2.gz VALLGABXUNEOHC-RGVLZGJSSA-N 0 0 385.217 5.270 50 30 GKEARN CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C ZINC000118915867 570367288 /nfs/dbraw/zinc/36/72/88/570367288.db2.gz HLNMGFKCMXUKSU-HZSKKDISSA-N 0 0 394.603 6.207 50 30 GKEARN Cc1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n(C)n1 ZINC000118916355 570367320 /nfs/dbraw/zinc/36/73/20/570367320.db2.gz FNOSBAZDWKDDHT-IRTHTYTISA-N 0 0 380.576 5.724 50 30 GKEARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O ZINC000118915847 570367361 /nfs/dbraw/zinc/36/73/61/570367361.db2.gz IWWSCPLMANPYFX-IPXLHXPSSA-N 0 0 382.569 5.634 50 30 GKEARN CCn1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 ZINC000118928013 570368810 /nfs/dbraw/zinc/36/88/10/570368810.db2.gz ILNJYEIJHGACFY-MMIMDNJWSA-N 0 0 380.576 5.898 50 30 GKEARN Cc1ccc2[nH]c3c(c2c1)CCC/C3=N/N=C1/CCCc2[nH]c3ccc(C)cc3c21 ZINC000004350749 570370322 /nfs/dbraw/zinc/37/03/22/570370322.db2.gz AZRZDTPMHIQXLW-HONQWNAWSA-N 0 0 394.522 6.132 50 30 GKEARN O=[N+]([O-])c1ccc(NN=Cc2cccn2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000004363249 570371019 /nfs/dbraw/zinc/37/10/19/570371019.db2.gz DIULPVIJKNXVRN-RGVLZGJSSA-N 0 0 375.215 5.138 50 30 GKEARN C=CCSc1nnc2c3c(ncn12)[C@H]1C2=C(CCC2)C(CCCC)=N[C@@H]1S3 ZINC000006309889 570372104 /nfs/dbraw/zinc/37/21/04/570372104.db2.gz RTFJTRXIXUBGLF-DNVCBOLYSA-N 0 0 397.573 5.043 50 30 GKEARN CN(/N=C/c1ccc(Cl)cc1Cl)c1ncc(Cl)cc1C(F)(F)F ZINC000004389854 570373103 /nfs/dbraw/zinc/37/31/03/570373103.db2.gz UKFHLAOXFDMDDH-GEVRCRHISA-N 0 0 382.600 5.531 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257345426 570374829 /nfs/dbraw/zinc/37/48/29/570374829.db2.gz AKTPAJMBVLOPJG-IZSHRCOMSA-N 0 0 386.664 7.485 50 30 GKEARN CCCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004459791 570375986 /nfs/dbraw/zinc/37/59/86/570375986.db2.gz QXGRKERNDASTRM-XMMPIXPASA-N 0 0 390.527 6.087 50 30 GKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000826923 570376808 /nfs/dbraw/zinc/37/68/08/570376808.db2.gz BRHVVCKVDHPBLN-RUZDIDTESA-N 0 0 383.491 6.158 50 30 GKEARN CCC[C@H]1c2c(C)nn(-c3ccccc3C(F)(F)F)c2NC2=C1C(=O)CCC2 ZINC000004948753 570379457 /nfs/dbraw/zinc/37/94/57/570379457.db2.gz VKWCBUUXIKJYCN-ZDUSSCGKSA-N 0 0 389.421 5.516 50 30 GKEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000831802 570380539 /nfs/dbraw/zinc/38/05/39/570380539.db2.gz SESQMGWQCSDLAE-SNVBAGLBSA-N 0 0 395.311 5.211 50 30 GKEARN O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000004954206 570381269 /nfs/dbraw/zinc/38/12/69/570381269.db2.gz KDUKONGLEVWFKT-CMDGGOBGSA-N 0 0 386.831 5.656 50 30 GKEARN Brc1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000004566449 570385058 /nfs/dbraw/zinc/38/50/58/570385058.db2.gz IILUTEUHHGMIPG-MTCNYLKESA-N 0 0 379.261 6.007 50 30 GKEARN Cc1cc(C(C)N=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1O ZINC000004595648 570386605 /nfs/dbraw/zinc/38/66/05/570386605.db2.gz PAEZYXGJYVZIDT-MTDXEUNCSA-N 0 0 394.478 5.661 50 30 GKEARN Fc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 ZINC000004974128 570386897 /nfs/dbraw/zinc/38/68/97/570386897.db2.gz GBRIFQLOUAZPJQ-YDZHTSKRSA-N 0 0 377.444 5.460 50 30 GKEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NCc1cccc2ccccc21 ZINC000526052509 570388285 /nfs/dbraw/zinc/38/82/85/570388285.db2.gz VTRDTBWXJYDGJV-UHFFFAOYSA-N 0 0 389.458 6.056 50 30 GKEARN CC(=C\c1ccccc1)/C=C1\N=C(SCc2ccccc2Cl)SC1=O ZINC000004660206 570390274 /nfs/dbraw/zinc/39/02/74/570390274.db2.gz NVWXUGMSOZSZRF-UJUKKVGJSA-N 0 0 385.941 6.190 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S ZINC000002833262 570390978 /nfs/dbraw/zinc/39/09/78/570390978.db2.gz FPIXAIRWFABRNY-CPNJWEJPSA-N 0 0 378.522 5.202 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000004663374 570390947 /nfs/dbraw/zinc/39/09/47/570390947.db2.gz PKETZANZSOHIEC-RXFWQSSRSA-N 0 0 380.491 5.975 50 30 GKEARN CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000004995425 570391668 /nfs/dbraw/zinc/39/16/68/570391668.db2.gz CBKXHKWBBJSDSD-SRZZPIQSSA-N 0 0 384.892 5.176 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000002874094 570394491 /nfs/dbraw/zinc/39/44/91/570394491.db2.gz DQICJEMFWMUULZ-FQEVSTJZSA-N 0 0 390.512 5.443 50 30 GKEARN N#CCSc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)c1C#N ZINC000005009327 570394838 /nfs/dbraw/zinc/39/48/38/570394838.db2.gz JJDPNTIGSOJAGB-UHFFFAOYSA-N 0 0 396.302 6.210 50 30 GKEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(Cl)s1 ZINC000004704671 570395706 /nfs/dbraw/zinc/39/57/06/570395706.db2.gz DCJDQIXVEGDWKB-YRNVUSSQSA-N 0 0 399.722 5.056 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000005013145 570395881 /nfs/dbraw/zinc/39/58/81/570395881.db2.gz OGVHDJVOGWECJE-LJQANCHMSA-N 0 0 383.919 6.154 50 30 GKEARN O=C1OC(c2ccccc2)N=C1C=Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005015473 570396651 /nfs/dbraw/zinc/39/66/51/570396651.db2.gz NBGHVNMJIUCDCX-OEAKJJBVSA-N 0 0 385.379 5.373 50 30 GKEARN CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(/N=C\c3ccccc3O)cc2)n1 ZINC000004709947 570396782 /nfs/dbraw/zinc/39/67/82/570396782.db2.gz OORYAJPEWOEINB-XYGWBWBKSA-N 0 0 375.516 5.924 50 30 GKEARN FC(F)(F)c1cccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000004738879 570400212 /nfs/dbraw/zinc/40/02/12/570400212.db2.gz ANCUVFVWBBSCFS-WGOQTCKBSA-N 0 0 399.416 5.083 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc4ccccc4c3)C12 ZINC000004748855 570402415 /nfs/dbraw/zinc/40/24/15/570402415.db2.gz NAMAJGAIOPGDSW-SANMLTNESA-N 0 0 391.495 6.706 50 30 GKEARN Cc1ccc2nc(N=NC(C)c3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000004750527 570402692 /nfs/dbraw/zinc/40/26/92/570402692.db2.gz LWVTWBZWGLZNBW-MWLSYYOVSA-N 0 0 392.466 5.318 50 30 GKEARN CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004759481 570404041 /nfs/dbraw/zinc/40/40/41/570404041.db2.gz PUOIIBXWKSTTTO-XMMPIXPASA-N 0 0 390.527 6.087 50 30 GKEARN COc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000005044795 570405639 /nfs/dbraw/zinc/40/56/39/570405639.db2.gz OJMCCNQNCSCAJV-PTNGSMBKSA-N 0 0 395.458 5.408 50 30 GKEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794654 570406045 /nfs/dbraw/zinc/40/60/45/570406045.db2.gz FTRWDRQLJKNMIC-HXUWFJFHSA-N 0 0 397.902 5.558 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000005068853 570410973 /nfs/dbraw/zinc/41/09/73/570410973.db2.gz FRDVZSMIAMUOEJ-QFIPXVFZSA-N 0 0 396.918 5.884 50 30 GKEARN Clc1ccc(CN=Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000025580569 570416448 /nfs/dbraw/zinc/41/64/48/570416448.db2.gz IPZWSMLARZZTFM-PGGKNCGUSA-N 0 0 399.306 6.111 50 30 GKEARN Oc1cccc(CN=Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000025580550 570416511 /nfs/dbraw/zinc/41/65/11/570416511.db2.gz IDKBWMXJQZUYEU-NUGSKGIGSA-N 0 0 380.860 5.163 50 30 GKEARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2ccccc2C#N)c1 ZINC000013010441 570416593 /nfs/dbraw/zinc/41/65/93/570416593.db2.gz CHHKOIXBYFVEDZ-IBGZPJMESA-N 0 0 383.495 5.280 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004916002 570418050 /nfs/dbraw/zinc/41/80/50/570418050.db2.gz CJLXPQWQMWMYTE-GXFFZTMASA-N 0 0 392.307 5.059 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004915997 570418051 /nfs/dbraw/zinc/41/80/51/570418051.db2.gz CJLXPQWQMWMYTE-ZWNOBZJWSA-N 0 0 392.307 5.059 50 30 GKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1cccc(Br)c1 ZINC000004952934 570419543 /nfs/dbraw/zinc/41/95/43/570419543.db2.gz OWXFJABSZKQPLY-GDNBJRDFSA-N 0 0 390.327 5.353 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973573 570420694 /nfs/dbraw/zinc/42/06/94/570420694.db2.gz OWVQFWZYKUIPPK-XDHUDOTRSA-N 0 0 385.442 5.200 50 30 GKEARN c1sc(N=NCc2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1 ZINC000004975307 570420696 /nfs/dbraw/zinc/42/06/96/570420696.db2.gz ABNNCULCSWFMDB-BUVRLJJBSA-N 0 0 385.492 5.835 50 30 GKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccnc1 ZINC000004973549 570420731 /nfs/dbraw/zinc/42/07/31/570420731.db2.gz OKTWOJXQQNOQNT-SSOJOUAXSA-N 0 0 397.478 5.070 50 30 GKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccncc1 ZINC000004973567 570420742 /nfs/dbraw/zinc/42/07/42/570420742.db2.gz BUNNUHHJZKHAIH-GKVSMKOHSA-N 0 0 397.478 5.070 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000004973550 570420744 /nfs/dbraw/zinc/42/07/44/570420744.db2.gz JIXXSAROIHSYJS-NPMXOYFQSA-N 0 0 390.870 5.913 50 30 GKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)c1 ZINC000004973588 570420754 /nfs/dbraw/zinc/42/07/54/570420754.db2.gz QDEHNHMNTGVEFI-IQGLISFBSA-N 0 0 397.478 5.070 50 30 GKEARN O=C1C[C@@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004986681 570421467 /nfs/dbraw/zinc/42/14/67/570421467.db2.gz FXKNPLAQRZKULA-PWSUYJOCSA-N 0 0 392.307 5.059 50 30 GKEARN Cc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004989796 570422185 /nfs/dbraw/zinc/42/21/85/570422185.db2.gz UDDJAFNNXRFENZ-WGOQTCKBSA-N 0 0 397.438 5.350 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Cl)cc2)c1CCC#N ZINC000004994093 570422310 /nfs/dbraw/zinc/42/23/10/570422310.db2.gz OXBKQTHQRDTAAA-UHFFFAOYSA-N 0 0 385.858 5.521 50 30 GKEARN CCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000001773461 570422781 /nfs/dbraw/zinc/42/27/81/570422781.db2.gz FHSNXVYYTLWBFY-HNNXBMFYSA-N 0 0 382.529 5.105 50 30 GKEARN Cc1ccc(NC=C2SC(=Nc3cccc(Cl)c3)N(C)C2=O)cc1Cl ZINC000006449770 570424868 /nfs/dbraw/zinc/42/48/68/570424868.db2.gz BJCUDVVTWQDVIL-YWGDSDGQSA-N 0 0 392.311 5.448 50 30 GKEARN O=C(/C=C\c1ccco1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005047021 570425821 /nfs/dbraw/zinc/42/58/21/570425821.db2.gz VKSIEYGUUJSVOK-FPLPWBNLSA-N 0 0 399.494 5.224 50 30 GKEARN Cc1ccccc1-c1nc2cc(/N=C/c3c(O)cc(C)c(Cl)c3C)ccc2o1 ZINC000003113667 570426006 /nfs/dbraw/zinc/42/60/06/570426006.db2.gz FEMSWWDMAOOFGO-BRJLIKDPSA-N 0 0 390.870 6.530 50 30 GKEARN Cc1ccc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)o1 ZINC000005091660 570428666 /nfs/dbraw/zinc/42/86/66/570428666.db2.gz CFLBRKUCPQYQPK-AVRWGWEMSA-N 0 0 384.479 5.876 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000005100388 570429247 /nfs/dbraw/zinc/42/92/47/570429247.db2.gz SGEKVWNPAIPLCN-JOCHJYFZSA-N 0 0 394.902 5.503 50 30 GKEARN Cc1ccccc1/N=C/c1c(=O)n2cccc(C)c2nc1Nc1ccccc1C ZINC000026965111 570430569 /nfs/dbraw/zinc/43/05/69/570430569.db2.gz YKBFAXDOGJVNLU-MFKUBSTISA-N 0 0 382.467 5.114 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000001831991 570436960 /nfs/dbraw/zinc/43/69/60/570436960.db2.gz FCCPVVGMMWZYQP-RGEXLXHISA-N 0 0 397.521 5.056 50 30 GKEARN Fc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc4c(c3)OCO4)ccc2o1 ZINC000001879428 570438253 /nfs/dbraw/zinc/43/82/53/570438253.db2.gz PNVNERSWVKAHEQ-UMKNWRDPSA-N 0 0 386.382 5.778 50 30 GKEARN Clc1ccccc1/C=N/c1nc2ccccc2n1Cc1ccccc1Cl ZINC000001878592 570438537 /nfs/dbraw/zinc/43/85/37/570438537.db2.gz PNSRWAWJLVHBRV-ZMOGYAJESA-N 0 0 380.278 6.142 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001881337 570439047 /nfs/dbraw/zinc/43/90/47/570439047.db2.gz ZBSDLCJYPZKZBN-VULFUBBASA-N 0 0 398.849 6.758 50 30 GKEARN CC(C)c1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000026841229 570439501 /nfs/dbraw/zinc/43/95/01/570439501.db2.gz VVOREZWSNVXNOO-FSJBWODESA-N 0 0 389.480 5.486 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccccc4)c3c2C1 ZINC000005501406 570442901 /nfs/dbraw/zinc/44/29/01/570442901.db2.gz UCSLVCYNLWZZAT-CIRUFVMISA-N 0 0 392.572 6.069 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(C)cc4)c3c2C1 ZINC000005501492 570443097 /nfs/dbraw/zinc/44/30/97/570443097.db2.gz RMFAIITWRCYPAS-ROCQKPIASA-N 0 0 392.572 5.987 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccc4)c3c2C1 ZINC000005501442 570443116 /nfs/dbraw/zinc/44/31/16/570443116.db2.gz DEBSZJRNTSKIAQ-IXBOPPFXSA-N 0 0 378.545 5.678 50 30 GKEARN CN(CCC#N)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000006475683 570446446 /nfs/dbraw/zinc/44/64/46/570446446.db2.gz AIDAHUUAIZHVJB-UHFFFAOYSA-N 0 0 378.479 5.761 50 30 GKEARN CCOc1ccc(N=C2C=C(Nc3ccc(OCC)cc3)c3ccccc32)cc1 ZINC000005584874 570447910 /nfs/dbraw/zinc/44/79/10/570447910.db2.gz IHZJYAKNTIXNKR-RFBIWTDZSA-N 0 0 384.479 6.071 50 30 GKEARN COc1cccc2cc(C(C)N=Nc3ncc(C(F)(F)F)cc3Cl)oc21 ZINC000005621276 570449130 /nfs/dbraw/zinc/44/91/30/570449130.db2.gz OBCBASGEPUIXQU-NUGSKGIGSA-N 0 0 383.757 5.345 50 30 GKEARN C(/C=N/c1ccc(Oc2ccccc2)cc1)=N\c1ccc(Oc2ccccc2)cc1 ZINC000003091572 570450402 /nfs/dbraw/zinc/45/04/02/570450402.db2.gz DOPJOAIYBMMONE-MKYUKRCKSA-N 0 0 392.458 7.376 50 30 GKEARN Fc1ccc(N=NC(=CCc2c(F)cccc2Cl)c2ccc(F)cc2)cc1 ZINC000005670305 570450522 /nfs/dbraw/zinc/45/05/22/570450522.db2.gz KVXVJRGFNQCJRY-DDQMTPQHSA-N 0 0 386.804 6.287 50 30 GKEARN COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1Cl ZINC000001948863 570450996 /nfs/dbraw/zinc/45/09/96/570450996.db2.gz ZMPGMJDVYLCEJJ-ZMOGYAJESA-N 0 0 386.278 6.049 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 ZINC000005672319 570451104 /nfs/dbraw/zinc/45/11/04/570451104.db2.gz RPBMQQPBXRXGPF-RMKNXTFCSA-N 0 0 377.654 6.803 50 30 GKEARN Cc1noc(C)c1CSc1nc(-c2ccc(C)cc2)c2c(c1C#N)CCCC2 ZINC000006507288 570460202 /nfs/dbraw/zinc/46/02/02/570460202.db2.gz WHKWBTPTUFGEKP-UHFFFAOYSA-N 0 0 389.524 5.705 50 30 GKEARN Cc1cc(C(=O)/C=C\c2ccc(COc3ccc(Cl)c(Cl)c3)o2)n(C)n1 ZINC000006527845 570466109 /nfs/dbraw/zinc/46/61/09/570466109.db2.gz YEMJJADWQSXEDW-VURMDHGXSA-N 0 0 391.254 5.103 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Cl)cc1 ZINC000006191825 570471540 /nfs/dbraw/zinc/47/15/40/570471540.db2.gz BMWBHBJCOPVMHM-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN Cc1ccc2cc(C([O-])=C(C#N)c3ncc(C(F)(F)F)cc3Cl)ccc2n1 ZINC000136472357 570473555 /nfs/dbraw/zinc/47/35/55/570473555.db2.gz LIUUPRFBNFOKCG-CQSZACIVSA-N 0 0 389.764 5.101 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccc(OC(F)F)cc1 ZINC000006341289 570477441 /nfs/dbraw/zinc/47/74/41/570477441.db2.gz QUIMJEXSOJCBLC-DJAVKIJBSA-N 0 0 378.374 5.688 50 30 GKEARN CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N ZINC000006570296 570480143 /nfs/dbraw/zinc/48/01/43/570480143.db2.gz BMXRUWJBCPQQHJ-UHFFFAOYSA-N 0 0 387.224 5.514 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000005165446 570481181 /nfs/dbraw/zinc/48/11/81/570481181.db2.gz CHCMPRFTZWYZQD-UHFFFAOYSA-N 0 0 397.459 5.726 50 30 GKEARN COc1ccc2cc(-c3cc(C(=O)O[C@@H](C)C#N)c4ccccc4n3)ccc2c1 ZINC000006585197 570485846 /nfs/dbraw/zinc/48/58/46/570485846.db2.gz ULNCJWMQOOISAM-HNNXBMFYSA-N 0 0 382.419 5.132 50 30 GKEARN COc1cc(Br)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O ZINC000005174211 570493010 /nfs/dbraw/zinc/49/30/10/570493010.db2.gz PWFIVXIWSIHHLY-FSJBWODESA-N 0 0 394.268 5.485 50 30 GKEARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000261300764 570493621 /nfs/dbraw/zinc/49/36/21/570493621.db2.gz JHWDKPIJNPJWBS-WGSAOQKQSA-N 0 0 393.502 6.771 50 30 GKEARN CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000006820420 570495844 /nfs/dbraw/zinc/49/58/44/570495844.db2.gz KGFOCYOQBRGEIA-WMLDXEAASA-N 0 0 397.927 5.066 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 ZINC000005185463 570497922 /nfs/dbraw/zinc/49/79/22/570497922.db2.gz XSYHCFVWHXEHFS-XKZIYDEJSA-N 0 0 399.446 5.215 50 30 GKEARN O=C1c2ccc(OCc3c(Cl)cccc3Cl)cc2O/C1=C\c1ccncc1 ZINC000005192542 570499414 /nfs/dbraw/zinc/49/94/14/570499414.db2.gz RXLDFXRPNXERJQ-JMIUGGIZSA-N 0 0 398.245 5.584 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000005068856 570499389 /nfs/dbraw/zinc/49/93/89/570499389.db2.gz OEELTETXDWEANT-QHCPKHFHSA-N 0 0 398.462 5.949 50 30 GKEARN COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000003082659 570502342 /nfs/dbraw/zinc/50/23/42/570502342.db2.gz JLNHVIFZKDEDEA-WPWMEQJKSA-N 0 0 378.431 6.244 50 30 GKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3cc(Cl)ccc3Cl)o2)c1 ZINC000003083300 570502634 /nfs/dbraw/zinc/50/26/34/570502634.db2.gz XAMQGHSNUZVMBH-ZVBGSRNCSA-N 0 0 395.629 6.566 50 30 GKEARN Cc1cc2nc(-c3cccc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000003108876 570503683 /nfs/dbraw/zinc/50/36/83/570503683.db2.gz RECVWXIMTJPSEM-DGFIHBCQSA-N 0 0 397.434 6.436 50 30 GKEARN O=C1C=C(Nc2ccc(Br)cc2Cl)C[C@H](c2ccccc2)C1 ZINC000006618363 570506054 /nfs/dbraw/zinc/50/60/54/570506054.db2.gz JNFBAZMJOHFQGG-ZDUSSCGKSA-N 0 0 376.681 5.545 50 30 GKEARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(C#N)c3)nc21 ZINC000006628311 570510609 /nfs/dbraw/zinc/51/06/09/570510609.db2.gz FSRXKFPXVUHJMM-UHFFFAOYSA-N 0 0 383.476 5.323 50 30 GKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ccccc2c1 ZINC000005214813 570512490 /nfs/dbraw/zinc/51/24/90/570512490.db2.gz GTRCWJNLUCEJEM-DHZHZOJOSA-N 0 0 393.269 7.303 50 30 GKEARN Clc1ccc(/C=C/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000002895659 570521213 /nfs/dbraw/zinc/52/12/13/570521213.db2.gz HOLLYLNGWYTHII-JRUCXRJDSA-N 0 0 393.273 7.217 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4ccc(Cl)cc4)c3)oc2c1 ZINC000002896625 570521397 /nfs/dbraw/zinc/52/13/97/570521397.db2.gz WEXDAHMVGSCAAD-DWOGBDTMSA-N 0 0 386.882 7.181 50 30 GKEARN CCCCCCCCCCNc1c2ccccc2nc2c1C(=O)CC(C)(C)C2 ZINC000002908133 570521762 /nfs/dbraw/zinc/52/17/62/570521762.db2.gz YRAHRQBKRWPCDP-UHFFFAOYSA-N 0 0 380.576 6.943 50 30 GKEARN N#Cc1ccccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000005230838 570523333 /nfs/dbraw/zinc/52/33/33/570523333.db2.gz CXKWDGVQANKCKO-UHFFFAOYSA-N 0 0 396.903 5.009 50 30 GKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2CC(C)C)cc1 ZINC000033294026 570523821 /nfs/dbraw/zinc/52/38/21/570523821.db2.gz GDSLTYMPFOSGQT-HVEIJDALSA-N 0 0 386.542 5.325 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(C)cc3)ccc2C1=O ZINC000005253797 570529875 /nfs/dbraw/zinc/52/98/75/570529875.db2.gz APPSQMNEXOPYLF-UNOMPAQXSA-N 0 0 376.433 5.200 50 30 GKEARN CCCCCCCCCCOc1ccc(/C=N/Cc2ccccc2)cc1OC ZINC000008386853 570530492 /nfs/dbraw/zinc/53/04/92/570530492.db2.gz DOJUGUAQHFQXKY-YYADALCUSA-N 0 0 381.560 6.834 50 30 GKEARN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)ON1C(=O)CCC1=O ZINC000008434975 570531447 /nfs/dbraw/zinc/53/14/47/570531447.db2.gz RUHGNRBGUUGLPD-LYKFAKFTSA-N 0 0 397.515 5.125 50 30 GKEARN N#Cc1c2nc3ccccc3nc2n(C2CCCCC2)c1NC(=O)c1ccccc1 ZINC000006681600 570532853 /nfs/dbraw/zinc/53/28/53/570532853.db2.gz CCJPIRQWQPZPSQ-UHFFFAOYSA-N 0 0 395.466 5.214 50 30 GKEARN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@H]2c1ccccc1 ZINC000008559462 570534369 /nfs/dbraw/zinc/53/43/69/570534369.db2.gz FSNNZKQRSGBKAO-JOCHJYFZSA-N 0 0 389.886 5.534 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)c2c[nH]c3ccccc32)n1 ZINC000022723175 570537535 /nfs/dbraw/zinc/53/75/35/570537535.db2.gz XIJIHIDNBZFMIU-LLVKDONJSA-N 0 0 389.402 5.125 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3cccc4ccccc34)cc2)cc1 ZINC000008733347 570538380 /nfs/dbraw/zinc/53/83/80/570538380.db2.gz DZGKFEVBKXCYAW-SDXDJHTJSA-N 0 0 392.454 6.264 50 30 GKEARN COc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc(C)cc2c1-c1ccccc1 ZINC000004903632 570540629 /nfs/dbraw/zinc/54/06/29/570540629.db2.gz NCJWKTTVDSNBIT-FYWRMAATSA-N 0 0 395.458 5.408 50 30 GKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 ZINC000003002103 570542586 /nfs/dbraw/zinc/54/25/86/570542586.db2.gz HAZJGSAYUOASNM-GOSISDBHSA-N 0 0 394.525 5.042 50 30 GKEARN Clc1ccc(CO/N=C2\CCSC3=C2c2ccccc2C3)c(Cl)c1 ZINC000005280198 570548759 /nfs/dbraw/zinc/54/87/59/570548759.db2.gz ZUDDBZPLIRFNQX-OQKWZONESA-N 0 0 376.308 5.970 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000009110996 570549530 /nfs/dbraw/zinc/54/95/30/570549530.db2.gz UMQGFPPYVJZZGJ-NRFANRHFSA-N 0 0 377.484 5.154 50 30 GKEARN COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000005320695 570552870 /nfs/dbraw/zinc/55/28/70/570552870.db2.gz IGRYDBMATCXPRU-AUEPDCJTSA-N 0 0 396.821 6.242 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000005343535 570558273 /nfs/dbraw/zinc/55/82/73/570558273.db2.gz AWLBFHSWHGXHLM-QMHKHESXSA-N 0 0 381.435 5.045 50 30 GKEARN N#Cc1c2nc3ccccc3n2c(Nc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000004333655 570574341 /nfs/dbraw/zinc/57/43/41/570574341.db2.gz MXXQURDFCZJTSX-UHFFFAOYSA-N 0 0 394.865 6.423 50 30 GKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)c3ccc(O)cc3O2)N1 ZINC000006763540 570575957 /nfs/dbraw/zinc/57/59/57/570575957.db2.gz OYBOZFLVLNRILV-XXBNENTESA-N 0 0 394.540 5.050 50 30 GKEARN CC(=Cc1ccccc1)C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000006780316 570587072 /nfs/dbraw/zinc/58/70/72/570587072.db2.gz TZMNEYHQUPRDSV-YPKRTGEASA-N 0 0 389.307 6.672 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000005428528 570591209 /nfs/dbraw/zinc/59/12/09/570591209.db2.gz XKBWWNIDMNDCKU-BHIYHBOVSA-N 0 0 392.568 5.903 50 30 GKEARN Cc1ccc(/C=N/c2sccc2C(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000006788912 570594778 /nfs/dbraw/zinc/59/47/78/570594778.db2.gz TYXVDIFEQSAUTB-LSHDLFTRSA-N 0 0 394.443 6.140 50 30 GKEARN CCCNC(=O)c1c(C)c(C#N)c(-c2ccccc2)nc1CC(=O)c1ccccc1 ZINC000136475284 570596437 /nfs/dbraw/zinc/59/64/37/570596437.db2.gz KWQLMIPBSZRIAQ-JCMHNJIXSA-N 0 0 397.478 5.125 50 30 GKEARN Cc1ccccc1CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 ZINC000003077565 570596568 /nfs/dbraw/zinc/59/65/68/570596568.db2.gz HMLOJVVRCLEMEH-UHFFFAOYSA-N 0 0 376.550 6.161 50 30 GKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccc(C(C)C)cc1 ZINC000005461725 570602364 /nfs/dbraw/zinc/60/23/64/570602364.db2.gz ZROQNYFBDUBNSO-JFLMPSFJSA-N 0 0 395.510 5.799 50 30 GKEARN N#Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000003321363 570603228 /nfs/dbraw/zinc/60/32/28/570603228.db2.gz YBLRMSNQLBIZGQ-UHFFFAOYSA-N 0 0 378.771 5.006 50 30 GKEARN N#Cc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c1 ZINC000006808535 570608788 /nfs/dbraw/zinc/60/87/88/570608788.db2.gz ZOKBOSVSMDDLCU-UHFFFAOYSA-N 0 0 382.897 5.798 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000006810582 570614545 /nfs/dbraw/zinc/61/45/45/570614545.db2.gz BUOPRODQYFDUPF-UHFFFAOYSA-N 0 0 381.859 5.340 50 30 GKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)o1 ZINC000032999864 570617466 /nfs/dbraw/zinc/61/74/66/570617466.db2.gz BPWOZAAUECIJAK-UHFFFAOYSA-N 0 0 377.444 5.438 50 30 GKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccccc1Cl ZINC000033011031 570623064 /nfs/dbraw/zinc/62/30/64/570623064.db2.gz QUGALHIDJIHGEW-UHFFFAOYSA-N 0 0 385.901 5.066 50 30 GKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1Cl ZINC000033011265 570623882 /nfs/dbraw/zinc/62/38/82/570623882.db2.gz CUQYHDFSGYCODS-UHFFFAOYSA-N 0 0 393.899 5.313 50 30 GKEARN Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 ZINC000006824910 570623964 /nfs/dbraw/zinc/62/39/64/570623964.db2.gz ACLLOECYHICEAT-QZTJIDSGSA-N 0 0 392.911 5.991 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000225848053 570626038 /nfs/dbraw/zinc/62/60/38/570626038.db2.gz UVURBEPZXDBOTM-DYESRHJHSA-N 0 0 386.850 5.107 50 30 GKEARN CCOC(=O)/C=C/c1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3)o2)cc1 ZINC000005546199 570630767 /nfs/dbraw/zinc/63/07/67/570630767.db2.gz FDHOIVMXWXMWMF-SFFIYBTHSA-N 0 0 386.447 5.727 50 30 GKEARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3ccccc3C#N)n2)cc1 ZINC000036349832 570633533 /nfs/dbraw/zinc/63/35/33/570633533.db2.gz YFTDKICZEVZMDK-UHFFFAOYSA-N 0 0 375.497 5.865 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Cl)cc1C(F)(F)F ZINC000044835898 570634023 /nfs/dbraw/zinc/63/40/23/570634023.db2.gz GCPJONJCHYSPSV-IFRROFPPSA-N 0 0 378.575 5.578 50 30 GKEARN N#CCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 ZINC000006832381 570636206 /nfs/dbraw/zinc/63/62/06/570636206.db2.gz IGKLXLVNQMVZOC-UHFFFAOYSA-N 0 0 391.338 5.219 50 30 GKEARN CC(C)c1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000012348177 570645753 /nfs/dbraw/zinc/64/57/53/570645753.db2.gz NDFSHBDIIVSQGX-OAQYLSRUSA-N 0 0 399.494 5.266 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C(C)(C)C)cc1 ZINC000012362644 570646114 /nfs/dbraw/zinc/64/61/14/570646114.db2.gz NISMTWSLIGFFBS-ZVHZXABRSA-N 0 0 383.948 6.597 50 30 GKEARN Cn1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006850706 570648551 /nfs/dbraw/zinc/64/85/51/570648551.db2.gz FCTPBDRHENHPEA-LJQANCHMSA-N 0 0 376.529 5.007 50 30 GKEARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000012406354 570653521 /nfs/dbraw/zinc/65/35/21/570653521.db2.gz XIRMLMISGPDSDB-LEXBJTGFSA-N 0 0 387.310 6.055 50 30 GKEARN CCOc1ccc(/N=C2\c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000012406378 570653592 /nfs/dbraw/zinc/65/35/92/570653592.db2.gz LQIXJXMSPOUKJH-YUBSNBEWSA-N 0 0 376.500 5.401 50 30 GKEARN Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003117312 570662262 /nfs/dbraw/zinc/66/22/62/570662262.db2.gz CPBNBQGNFKLBRU-ZMOGYAJESA-N 0 0 384.262 6.272 50 30 GKEARN CC[C@H](C)Nc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N ZINC000033026992 570662541 /nfs/dbraw/zinc/66/25/41/570662541.db2.gz NGKDVHUMPUDIEL-HNNXBMFYSA-N 0 0 387.439 5.749 50 30 GKEARN Cc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O ZINC000013628514 570662746 /nfs/dbraw/zinc/66/27/46/570662746.db2.gz CGBOULHYZQROQZ-TZOKSIDISA-N 0 0 382.415 5.230 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)cc1C ZINC000033027161 570662834 /nfs/dbraw/zinc/66/28/34/570662834.db2.gz LTDKGMFCCWBLPL-UHFFFAOYSA-N 0 0 391.471 5.238 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCC[C@H](C)C4)o3)o2)c1 ZINC000033027157 570662929 /nfs/dbraw/zinc/66/29/29/570662929.db2.gz BHIDLTOTRWFAJX-INIZCTEOSA-N 0 0 391.471 5.238 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)c1 ZINC000033027207 570663831 /nfs/dbraw/zinc/66/38/31/570663831.db2.gz DISYPOUHZOCONG-UHFFFAOYSA-N 0 0 391.471 5.383 50 30 GKEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(-c2ccccc2)cc1 ZINC000005593965 570665963 /nfs/dbraw/zinc/66/59/63/570665963.db2.gz FZGVMGHHGVIJKZ-UHFFFAOYSA-N 0 0 377.241 5.189 50 30 GKEARN Clc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c(Cl)c1 ZINC000005605075 570668598 /nfs/dbraw/zinc/66/85/98/570668598.db2.gz UFABFIHNEVKSRH-UFFVCSGVSA-N 0 0 388.279 6.309 50 30 GKEARN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)c(C)s1 ZINC000005610754 570669346 /nfs/dbraw/zinc/66/93/46/570669346.db2.gz OBJIGSVYZKTFJO-UFFVCSGVSA-N 0 0 392.311 5.880 50 30 GKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)cc1 ZINC000012418967 570670796 /nfs/dbraw/zinc/67/07/96/570670796.db2.gz DZMOJLHVCGLVPF-UHFFFAOYSA-N 0 0 393.443 5.138 50 30 GKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccccc2)C1(C#N)C#N ZINC000043633127 570671186 /nfs/dbraw/zinc/67/11/86/570671186.db2.gz JWDRLCSIVQWUDO-ZRBLBEILSA-N 0 0 395.506 5.012 50 30 GKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@H](C)C4)o3)o2)c1 ZINC000012418992 570671290 /nfs/dbraw/zinc/67/12/90/570671290.db2.gz VRXMTDGHWUMJFA-IRXDYDNUSA-N 0 0 391.471 5.176 50 30 GKEARN CN1c2ccccc2C(C)(C)/C1=C/C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000685944459 570675462 /nfs/dbraw/zinc/67/54/62/570675462.db2.gz OMVUCXHWGWSIMW-HAHDFKILSA-N 0 0 389.583 6.752 50 30 GKEARN CCN1C=C/C(=C\C2=CC(=C3C(=O)c4ccccc4C3=O)CCC2)c2ccccc21 ZINC000685944507 570675780 /nfs/dbraw/zinc/67/57/80/570675780.db2.gz KMCBRVFRXPVCKB-KNTRCKAVSA-N 0 0 393.486 5.910 50 30 GKEARN N#CCCSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N ZINC000004620222 570675804 /nfs/dbraw/zinc/67/58/04/570675804.db2.gz IZWOKISZWBWFAC-UHFFFAOYSA-N 0 0 391.462 5.446 50 30 GKEARN N#C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000078718770 570680390 /nfs/dbraw/zinc/68/03/90/570680390.db2.gz RFZJHMPJGQUJEN-ZDUSSCGKSA-N 0 0 391.151 5.146 50 30 GKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccccc2C)C12CCCC2 ZINC000005794856 570691184 /nfs/dbraw/zinc/69/11/84/570691184.db2.gz VTAMSDFFCRDFOY-UHFFFAOYSA-N 0 0 377.557 5.603 50 30 GKEARN Cn1c2ccccc2c(/C=N/c2sc3c(c2C#N)CCCC3)c1-c1ccccc1 ZINC000006898458 570694952 /nfs/dbraw/zinc/69/49/52/570694952.db2.gz RDFUYBRIWNCGBU-JVWAILMASA-N 0 0 395.531 6.408 50 30 GKEARN Cc1cccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)c1 ZINC000004356286 570695129 /nfs/dbraw/zinc/69/51/29/570695129.db2.gz WETKOKAPEIACNQ-UHFFFAOYSA-N 0 0 382.492 5.407 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccoc1C ZINC000006911858 570699568 /nfs/dbraw/zinc/69/95/68/570699568.db2.gz CJWUMOOVSAHYEH-UHFFFAOYSA-N 0 0 380.300 5.632 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCCC1 ZINC000004359586 570706272 /nfs/dbraw/zinc/70/62/72/570706272.db2.gz HLUHVHMVNZDWIL-BUVRLJJBSA-N 0 0 385.423 5.845 50 30 GKEARN COc1cc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)ccc1OC(F)F ZINC000057996384 570706387 /nfs/dbraw/zinc/70/63/87/570706387.db2.gz BUXJMIVUCKJDTM-GORDUTHDSA-N 0 0 392.785 5.165 50 30 GKEARN Cc1c(Cl)cccc1OCc1ccc(/C=C/C(=O)c2nn(C)cc2Cl)o1 ZINC000006921311 570706625 /nfs/dbraw/zinc/70/66/25/570706625.db2.gz YTIHGSKUNLHBNW-CMDGGOBGSA-N 0 0 391.254 5.103 50 30 GKEARN COc1ccccc1[C@@H]1c2c([nH]nc2-c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935537 570714226 /nfs/dbraw/zinc/71/42/26/570714226.db2.gz JQTCVTWPSKIYFX-FQEVSTJZSA-N 0 0 399.494 5.286 50 30 GKEARN N#Cc1c(S[C@H]2CCCC[C@@H]2O)nc(-c2cccs2)cc1-c1ccccc1 ZINC000005660634 570722349 /nfs/dbraw/zinc/72/23/49/570722349.db2.gz BWDFQWURYMOIMX-FPOVZHCZSA-N 0 0 392.549 5.744 50 30 GKEARN CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000025076195 570723311 /nfs/dbraw/zinc/72/33/11/570723311.db2.gz UOHZQPAWOBIXPT-OAQYLSRUSA-N 0 0 392.543 5.566 50 30 GKEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc43)nc2c1 ZINC000000899124 570723419 /nfs/dbraw/zinc/72/34/19/570723419.db2.gz IUPPNYUZNYCJAK-UHFFFAOYSA-N 0 0 383.476 5.299 50 30 GKEARN CC(C)(C)/C(=N/Sc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000211008035 570736042 /nfs/dbraw/zinc/73/60/42/570736042.db2.gz MNQITGUZRJRGLN-XTCLZLMSSA-N 0 0 385.536 6.544 50 30 GKEARN FC(F)(F)c1cccc(-c2noc(-c3ccc(C#Cc4ccccc4)o3)n2)c1 ZINC000003129150 570738856 /nfs/dbraw/zinc/73/88/56/570738856.db2.gz URNIQRKTQREKPS-UHFFFAOYSA-N 0 0 380.325 5.415 50 30 GKEARN CCCCCCCCOc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1 ZINC000060290801 570741026 /nfs/dbraw/zinc/74/10/26/570741026.db2.gz ITWWXCLUKGZJRY-UHFFFAOYSA-N 0 0 396.571 7.378 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 ZINC000000974253 570741169 /nfs/dbraw/zinc/74/11/69/570741169.db2.gz UFGIYFPSYNNRJK-NIYFSFCBSA-N 0 0 396.490 5.680 50 30 GKEARN N#Cc1c(SCC(=O)c2ccccc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000001029896 570747181 /nfs/dbraw/zinc/74/71/81/570747181.db2.gz RMIKJAFWFPIWJQ-UHFFFAOYSA-N 0 0 398.409 5.614 50 30 GKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000001051400 570748983 /nfs/dbraw/zinc/74/89/83/570748983.db2.gz FUGJFYHXXJEWMI-ZVBGSRNCSA-N 0 0 395.629 6.566 50 30 GKEARN C(=N/c1ccc2ccccc2c1)\c1cccc(/C=N/c2ccc3ccccc3c2)c1 ZINC000003150471 570750539 /nfs/dbraw/zinc/75/05/39/570750539.db2.gz FDIDNXOAUQIKIS-CZYCKNNWSA-N 0 0 384.482 7.494 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000001079566 570750550 /nfs/dbraw/zinc/75/05/50/570750550.db2.gz SXHQKGOXDJUFCJ-SFHVURJKSA-N 0 0 397.877 5.643 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000001079526 570750730 /nfs/dbraw/zinc/75/07/30/570750730.db2.gz XPMWCWZZJFBEMV-OAHLLOKOSA-N 0 0 391.414 5.295 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)C[C@H]2c1ccsc1 ZINC000001080465 570751144 /nfs/dbraw/zinc/75/11/44/570751144.db2.gz HCGYGQJSGKLHMW-INIZCTEOSA-N 0 0 385.916 5.565 50 30 GKEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001080467 570751212 /nfs/dbraw/zinc/75/12/12/570751212.db2.gz BVZPIVSRDJTARG-AWEZNQCLSA-N 0 0 391.414 5.295 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000001127450 570754201 /nfs/dbraw/zinc/75/42/01/570754201.db2.gz IOSAUCJIRRBEFO-LBPRGKRZSA-N 0 0 396.899 5.910 50 30 GKEARN N#Cc1cc(C(=O)c2ccccc2)n2c3ccccc3n(Cc3ccccc3)c12 ZINC000096558675 570759199 /nfs/dbraw/zinc/75/91/99/570759199.db2.gz OSGBVFYVJLNGSD-UHFFFAOYSA-N 0 0 375.431 5.045 50 30 GKEARN Brc1cccc(NN=Cc2ccccc2OCc2ccccc2)c1 ZINC000036624117 570767667 /nfs/dbraw/zinc/76/76/67/570767667.db2.gz BDOHLYNJCWXDBZ-HMAPJEAMSA-N 0 0 381.273 5.474 50 30 GKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c(F)cccc2Cl)cc1 ZINC000244898821 570786740 /nfs/dbraw/zinc/78/67/40/570786740.db2.gz ZCCZZDMVFOBRAM-UHFFFAOYSA-N 0 0 388.899 5.206 50 30 GKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2)cs1)c1cccc(Cl)c1 ZINC000015187866 570787030 /nfs/dbraw/zinc/78/70/30/570787030.db2.gz BSFGUOYNHUDPMV-ZHACJKMWSA-N 0 0 396.899 5.686 50 30 GKEARN N#Cc1c(SCC(=O)c2cccs2)nc(C2CC2)cc1-c1ccccc1 ZINC000001184422 570791492 /nfs/dbraw/zinc/79/14/92/570791492.db2.gz GFINWUIVKGIGFX-UHFFFAOYSA-N 0 0 376.506 5.534 50 30 aggregator GKEARN Cc1ccc(N2C(=S)N=C(Nc3ccccc3C)[C@]23CCOC(C)(C)C3)cc1 ZINC000018096917 570799220 /nfs/dbraw/zinc/79/92/20/570799220.db2.gz MYMSTEVQCASSCP-HSZRJFAPSA-N 0 0 393.556 5.467 50 30 GKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000005870097 570799263 /nfs/dbraw/zinc/79/92/63/570799263.db2.gz NHFWTXVWFHYANN-MRXNPFEDSA-N 0 0 395.673 5.158 50 30 GKEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000012342930 570805689 /nfs/dbraw/zinc/80/56/89/570805689.db2.gz UPIMBIJWHAAOLD-STZFKDTASA-N 0 0 376.372 5.006 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 ZINC000018197446 570808928 /nfs/dbraw/zinc/80/89/28/570808928.db2.gz PCLMXIXWBZJXGB-FQEVSTJZSA-N 0 0 381.859 5.269 50 30 GKEARN Cc1ccsc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018200084 570809017 /nfs/dbraw/zinc/80/90/17/570809017.db2.gz VAZIIDINXXEBRI-SGTLLEGYSA-N 0 0 381.526 5.108 50 30 GKEARN CCCCN(C)c1ccc(/C=N\NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000033096919 570809663 /nfs/dbraw/zinc/80/96/63/570809663.db2.gz KROIYKKWSGCVHV-KQWNVCNZSA-N 0 0 382.577 5.367 50 30 GKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000033096933 570809793 /nfs/dbraw/zinc/80/97/93/570809793.db2.gz VCAQAWZSGOQFMG-ULJHMMPZSA-N 0 0 396.604 5.757 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000018266711 570812366 /nfs/dbraw/zinc/81/23/66/570812366.db2.gz SRGMCGJVUINXLM-WAIKUNEKSA-N 0 0 397.503 5.514 50 30 GKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1Oc1ccccc1 ZINC000060459746 570815172 /nfs/dbraw/zinc/81/51/72/570815172.db2.gz KHEWOFCWFDAXFK-UHFFFAOYSA-N 0 0 384.888 5.417 50 30 GKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000004501745 570816653 /nfs/dbraw/zinc/81/66/53/570816653.db2.gz NZPUGXLISXPURB-BUVRLJJBSA-N 0 0 390.508 5.638 50 30 GKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccc1 ZINC000004675096 570816909 /nfs/dbraw/zinc/81/69/09/570816909.db2.gz QEKYMQGEFWXAAF-UHFFFAOYSA-N 0 0 382.511 6.012 50 30 GKEARN N#Cc1c(-c2ccc(Cl)cc2)c(/C=C/c2ccccc2)nn1-c1ccccc1 ZINC000004670944 570819134 /nfs/dbraw/zinc/81/91/34/570819134.db2.gz NRQRLVMIYBBTLJ-LFIBNONCSA-N 0 0 381.866 6.235 50 30 GKEARN Cc1c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ccccc2o1 ZINC000004672620 570819570 /nfs/dbraw/zinc/81/95/70/570819570.db2.gz FIHFMYZENKKCGM-QOZUZQNYSA-N 0 0 383.407 6.127 50 30 GKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000004671881 570820364 /nfs/dbraw/zinc/82/03/64/570820364.db2.gz YFINLYBLTOAHSJ-HLJIXCGCSA-N 0 0 393.273 7.217 50 30 GKEARN CCn1c(C)nc2cc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)ccc21 ZINC000001894721 570823482 /nfs/dbraw/zinc/82/34/82/570823482.db2.gz RBBZVTKWXLDSGB-UHFFFAOYSA-N 0 0 378.238 5.289 50 30 GKEARN O=C1C=C(NCc2ccc(Cl)c(Cl)c2)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000101487481 570824371 /nfs/dbraw/zinc/82/43/71/570824371.db2.gz XFPJCVKCTBMWDM-CQSZACIVSA-N 0 0 380.702 5.767 50 30 GKEARN C[C@@H]1CSC(=C(C(=O)/C=C\c2ccccc2)C(=O)/C=C\c2ccccc2)S1 ZINC000101659825 570828571 /nfs/dbraw/zinc/82/85/71/570828571.db2.gz XRWQUKDQVXCKBD-UODDMKIWSA-N 0 0 392.545 5.632 50 30 GKEARN N#CCCNc1ccc(/N=N/c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000007367560 570834779 /nfs/dbraw/zinc/83/47/79/570834779.db2.gz ZXGCLUAKQNVNSK-CYYJNZCTSA-N 0 0 380.407 5.203 50 30 GKEARN N#Cc1c(SCc2ccc(Cl)nc2)nc2c(c1C(F)(F)F)CCCC2 ZINC000004707777 570842809 /nfs/dbraw/zinc/84/28/09/570842809.db2.gz JXHROHPFXPSWKP-UHFFFAOYSA-N 0 0 383.826 5.192 50 30 GKEARN Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1-c1ccccc1 ZINC000012543825 570844023 /nfs/dbraw/zinc/84/40/23/570844023.db2.gz RERBWOPLDDQHJH-UHFFFAOYSA-N 0 0 382.492 5.407 50 30 GKEARN Cc1cc(C#N)c(SCC(=O)c2cccc(Cl)c2)nc1-c1cccs1 ZINC000004702705 570854124 /nfs/dbraw/zinc/85/41/24/570854124.db2.gz ZYKNEWCXCAHATH-UHFFFAOYSA-N 0 0 384.913 5.619 50 30 GKEARN N#Cc1c(NC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCC2 ZINC000003310428 570854842 /nfs/dbraw/zinc/85/48/42/570854842.db2.gz JSNNPICKAQRVIQ-UHFFFAOYSA-N 0 0 376.865 5.368 50 30 GKEARN CCOc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000004719760 570856880 /nfs/dbraw/zinc/85/68/80/570856880.db2.gz FMMFEXXRGXWPPI-UHFFFAOYSA-N 0 0 379.257 5.448 50 30 GKEARN COc1ccc(/N=C2/SC(=N)N(c3cccc(C)c3)C23CCCCC3)cc1 ZINC000004549229 570859844 /nfs/dbraw/zinc/85/98/44/570859844.db2.gz JZLPDCKNIMZUME-GBNUVNFUSA-N 0 0 379.529 5.925 50 30 GKEARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC#N)cc1 ZINC000044085558 570862128 /nfs/dbraw/zinc/86/21/28/570862128.db2.gz GNTZZXQPZOZNTH-UHFFFAOYSA-N 0 0 384.302 5.226 50 30 GKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccs2)CCC3)cc1 ZINC000004723886 570862198 /nfs/dbraw/zinc/86/21/98/570862198.db2.gz TXJGNNXGPVXRRM-CIAFOILYSA-N 0 0 382.510 5.310 50 30 GKEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 ZINC000044085717 570862734 /nfs/dbraw/zinc/86/27/34/570862734.db2.gz GCZDSLZDZCWHBI-UHFFFAOYSA-N 0 0 377.513 5.084 50 30 GKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 ZINC000044087380 570863012 /nfs/dbraw/zinc/86/30/12/570863012.db2.gz LNFFDSZVGZQKIJ-UHFFFAOYSA-N 0 0 395.742 6.778 50 30 GKEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087716 570863130 /nfs/dbraw/zinc/86/31/30/570863130.db2.gz ZJCFSIYFFWCDNR-UHFFFAOYSA-N 0 0 390.430 5.845 50 30 GKEARN COc1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000004550782 570865596 /nfs/dbraw/zinc/86/55/96/570865596.db2.gz WGZJKVWDQKJKFW-UHFFFAOYSA-N 0 0 377.447 6.039 50 30 GKEARN C=CCN(C(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1 ZINC000003435731 570868909 /nfs/dbraw/zinc/86/89/09/570868909.db2.gz RNQLGOOXVLUVAU-UHFFFAOYSA-N 0 0 388.414 5.662 50 30 GKEARN Clc1cc(Cl)c(N=NC2CCCCCCCCCCC2)c(Cl)c1 ZINC000005713136 570870323 /nfs/dbraw/zinc/87/03/23/570870323.db2.gz PFYXMYCPXCKHQG-UHFFFAOYSA-N 0 0 375.771 7.719 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1c(F)cccc1Cl ZINC000170615317 570872931 /nfs/dbraw/zinc/87/29/31/570872931.db2.gz LINPVMFQWOMQFI-HRAATJIYSA-N 0 0 386.850 5.107 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1c(F)cccc1Cl ZINC000170615321 570872946 /nfs/dbraw/zinc/87/29/46/570872946.db2.gz LINPVMFQWOMQFI-IIBYNOLFSA-N 0 0 386.850 5.107 50 30 GKEARN CCCCCCCCNC(=O)c1ccc(NC(=O)C(C)(C)CC(C)(C)C)cc1 ZINC000103010741 570873047 /nfs/dbraw/zinc/87/30/47/570873047.db2.gz DAKFDBYZCBZIGI-UHFFFAOYSA-N 0 0 388.596 6.178 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccc(C(C)C)cc1 ZINC000170618124 570875481 /nfs/dbraw/zinc/87/54/81/570875481.db2.gz FXFLVKQKRZNLQA-XUZZJYLKSA-N 0 0 392.495 5.138 50 30 GKEARN CCCNC(=O)c1c(C)c(C#N)c(-c2ccccc2)nc1CC(=O)c1ccccc1 ZINC000103260623 570880528 /nfs/dbraw/zinc/88/05/28/570880528.db2.gz KWQLMIPBSZRIAQ-PXLXIMEGSA-N 0 0 397.478 5.125 50 30 GKEARN COc1ccc([C@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC000004558014 570881563 /nfs/dbraw/zinc/88/15/63/570881563.db2.gz LXBMRKPVQBTWKB-GOTSBHOMSA-N 0 0 397.478 5.120 50 30 GKEARN COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2cccc(Cl)c2)cc1 ZINC000003656317 570881823 /nfs/dbraw/zinc/88/18/23/570881823.db2.gz CGCWZZAIYVUROI-FQEVSTJZSA-N 0 0 380.831 5.426 50 30 GKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc4ccccc4s3)sc2C1 ZINC000003669130 570882122 /nfs/dbraw/zinc/88/21/22/570882122.db2.gz WTWXXGGPERGDMH-GMJSKMFWSA-N 0 0 378.566 6.736 50 30 GKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4nc(-c5ccccc5)oc4c3)o2)cc1 ZINC000003662510 570882138 /nfs/dbraw/zinc/88/21/38/570882138.db2.gz VJFGJTYEWSKYSO-CVKSISIWSA-N 0 0 398.849 7.159 50 30 GKEARN C=CCN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)SC1=S ZINC000103428308 570884865 /nfs/dbraw/zinc/88/48/65/570884865.db2.gz RAHKICODFUWOPE-WIQPNEMMSA-N 0 0 381.482 5.195 50 30 GKEARN Cc1ccc(Sc2oc(/C=N/c3ccccc3O)cc2Br)cc1 ZINC000015227511 570885957 /nfs/dbraw/zinc/88/59/57/570885957.db2.gz NJCDQSBLTRMBDD-RGVLZGJSSA-N 0 0 388.286 5.958 50 30 GKEARN C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000042512774 570891835 /nfs/dbraw/zinc/89/18/35/570891835.db2.gz PJGYWVTWVCKBTH-LLVKDONJSA-N 0 0 399.566 5.103 50 30 GKEARN Cc1cc(-c2cccnc2)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 ZINC000005394199 570898809 /nfs/dbraw/zinc/89/88/09/570898809.db2.gz KTSNEISCYRSBOV-UHFFFAOYSA-N 0 0 386.307 5.923 50 30 GKEARN Fc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000031854459 570899745 /nfs/dbraw/zinc/89/97/45/570899745.db2.gz SBALSRIRXGFUBA-OCKHKDLRSA-N 0 0 376.254 5.158 50 30 GKEARN Cc1ccccc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000014189814 570903497 /nfs/dbraw/zinc/90/34/97/570903497.db2.gz AAXIEKAIWZNYRS-UHFFFAOYSA-N 0 0 383.476 5.876 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccc(F)cc1)c1ccccc1N2 ZINC000015826359 570905587 /nfs/dbraw/zinc/90/55/87/570905587.db2.gz GPMHROIJQCAEIX-XMMPIXPASA-N 0 0 388.442 5.599 50 30 GKEARN CC(=O)O/N=C(\C)CC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000004026948 570907599 /nfs/dbraw/zinc/90/75/99/570907599.db2.gz NQRNQFVQINDGPA-YGQSZDGESA-N 0 0 387.608 7.231 50 30 biogenic GKEARN CCn1c2ccccc2c2cc(NC=CC(=O)c3ccc(C(C)C)cc3)ccc21 ZINC000051318661 570911174 /nfs/dbraw/zinc/91/11/74/570911174.db2.gz QNBVXYNTNYZLBS-FOCLMDBBSA-N 0 0 382.507 6.746 50 30 GKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004580535 570911229 /nfs/dbraw/zinc/91/12/29/570911229.db2.gz PQOONWXYKHRVJH-RPBOFIJWSA-N 0 0 397.478 5.120 50 30 aggregator GKEARN CCOc1ccc(OCC)c(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000051318590 570911219 /nfs/dbraw/zinc/91/12/19/570911219.db2.gz GEYFNHXRXJVYST-VAWYXSNFSA-N 0 0 390.277 5.055 50 30 GKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccccc1Cl ZINC000016890324 570916712 /nfs/dbraw/zinc/91/67/12/570916712.db2.gz GPIAALAVKJFFHD-UHFFFAOYSA-N 0 0 381.888 5.010 50 30 GKEARN C(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccco1 ZINC000005741132 570919829 /nfs/dbraw/zinc/91/98/29/570919829.db2.gz KTNRXDLOEQBBNV-VMDSVTINSA-N 0 0 397.442 5.063 50 30 GKEARN CCc1ccccc1NN=C(c1ccccc1)c1ccc(Br)cc1 ZINC000004587158 570921850 /nfs/dbraw/zinc/92/18/50/570921850.db2.gz VWLNCIIMXKJNBM-FLFQWRMESA-N 0 0 379.301 5.876 50 30 GKEARN CC(C)(C)c1ccc(N=NC2Cc3c(ccc4ccc(=O)oc43)OC2(C)C)cc1 ZINC000004587070 570922033 /nfs/dbraw/zinc/92/20/33/570922033.db2.gz OXEOQEUWAHNYJD-LHLOQNFPSA-N 0 0 390.483 5.272 50 30 biogenic GKEARN CC(C)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002073092 570923747 /nfs/dbraw/zinc/92/37/47/570923747.db2.gz ZVMBTVLJUZIYAY-UHFFFAOYSA-N 0 0 378.928 6.689 50 30 GKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccn1 ZINC000004059274 570926368 /nfs/dbraw/zinc/92/63/68/570926368.db2.gz SMOOWOZTJXRDEB-ACCUITESSA-N 0 0 384.866 6.155 50 30 GKEARN N#Cc1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)sc2c1CCCC2 ZINC000017081705 570926536 /nfs/dbraw/zinc/92/65/36/570926536.db2.gz TYHNMIFSORCGOT-UHFFFAOYSA-N 0 0 399.475 5.130 50 30 GKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]12 ZINC000043505259 570926821 /nfs/dbraw/zinc/92/68/21/570926821.db2.gz MECHNRXZTMCUDQ-SUTUKGQMSA-N 0 0 396.659 7.641 50 30 GKEARN FC(F)(F)c1cnc(C(=NNc2ccccc2)c2cccnc2)c(Cl)c1 ZINC000004059896 570927137 /nfs/dbraw/zinc/92/71/37/570927137.db2.gz AHXBLDSMVSERDD-WGOQTCKBSA-N 0 0 376.769 5.013 50 30 GKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000016524268 570927319 /nfs/dbraw/zinc/92/73/19/570927319.db2.gz QICZEGJZURFHAW-WOJGMQOQSA-N 0 0 383.266 6.039 50 30 GKEARN C[C@@H]1CCc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)c(C#N)c2C1 ZINC000004070082 570928180 /nfs/dbraw/zinc/92/81/80/570928180.db2.gz KSGPIIIFUOBXII-OAHLLOKOSA-N 0 0 388.492 5.789 50 30 GKEARN Cc1ccc(/N=C2\S/C(=C\c3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000016677440 570930268 /nfs/dbraw/zinc/93/02/68/570930268.db2.gz VZWOVWOAYJNVJP-JTUXUYRKSA-N 0 0 398.531 6.420 50 30 GKEARN N#Cc1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2 ZINC000002082331 570932744 /nfs/dbraw/zinc/93/27/44/570932744.db2.gz HOWWKWDFTPHNCB-MDZDMXLPSA-N 0 0 391.323 5.847 50 30 GKEARN O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/C1=C(Cl)c2ccccc2CC1 ZINC000004091929 570934399 /nfs/dbraw/zinc/93/43/99/570934399.db2.gz AMWXJQNAKPNFTF-LSHDLFTRSA-N 0 0 395.673 6.124 50 30 GKEARN N#CCCn1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(-c2cccs2)n1 ZINC000003410560 570934656 /nfs/dbraw/zinc/93/46/56/570934656.db2.gz NXHYFEHWLSSNNI-UHFFFAOYSA-N 0 0 399.475 5.411 50 30 GKEARN CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000004888981 570935135 /nfs/dbraw/zinc/93/51/35/570935135.db2.gz IRFCVDGQBCNITL-BVCNIUJDSA-N 0 0 397.519 5.077 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000017027299 570937738 /nfs/dbraw/zinc/93/77/38/570937738.db2.gz FKAPFMWPJIJLTE-CQSZACIVSA-N 0 0 385.703 5.109 50 30 GKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1c[nH]c2ccccc12 ZINC000017137792 570942384 /nfs/dbraw/zinc/94/23/84/570942384.db2.gz GMHKPPISUXEJHE-PXNMLYILSA-N 0 0 387.386 5.078 50 30 GKEARN C=CCc1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 ZINC000002101232 570942817 /nfs/dbraw/zinc/94/28/17/570942817.db2.gz GUGVCQARSIJZMI-UHFFFAOYSA-N 0 0 383.403 5.569 50 30 biogenic GKEARN CC(=O)c1ccc(N(C(=O)c2cccc(C#N)c2)c2nc3ccccc3s2)cc1 ZINC000007593655 570950282 /nfs/dbraw/zinc/95/02/82/570950282.db2.gz KDMCZQTVVPOOIZ-UHFFFAOYSA-N 0 0 397.459 5.349 50 30 GKEARN O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000004737186 570952178 /nfs/dbraw/zinc/95/21/78/570952178.db2.gz JGENGNZRKQFPOL-POICXBNUSA-N 0 0 386.882 6.087 50 30 GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(CC)cc1 ZINC000004740361 570953749 /nfs/dbraw/zinc/95/37/49/570953749.db2.gz QZKDXWGQRZSNSP-UVWSQDQSSA-N 0 0 376.500 5.401 50 30 GKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(Cl)c1 ZINC000004740375 570954391 /nfs/dbraw/zinc/95/43/91/570954391.db2.gz IEPGXNFALAFLIU-SHLVRQGHSA-N 0 0 396.918 5.800 50 30 GKEARN C[C@H]1CC(=Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000252426819 570955217 /nfs/dbraw/zinc/95/52/17/570955217.db2.gz MJECSVCVHXKOPD-HNNXBMFYSA-N 0 0 376.406 5.525 50 30 GKEARN N#Cc1nc(Nc2ccccc2Cl)c(Nc2ccccc2Cl)nc1C#N ZINC000001317680 570957408 /nfs/dbraw/zinc/95/74/08/570957408.db2.gz STRRENDGFGLTAH-UHFFFAOYSA-N 0 0 381.226 5.014 50 30 GKEARN N#Cc1c(NC(=O)c2sc3cccc(F)c3c2Cl)sc2c1CCC2 ZINC000004750291 570957815 /nfs/dbraw/zinc/95/78/15/570957815.db2.gz JVSIMMPCLKPEOQ-UHFFFAOYSA-N 0 0 376.865 5.368 50 30 GKEARN CC(=O)Nc1ccc(N=Cc2ccccc2OCc2ccccc2Cl)cc1 ZINC000252460014 570959803 /nfs/dbraw/zinc/95/98/03/570959803.db2.gz AWLZPAPPRVIODB-UHFFFAOYSA-N 0 0 378.859 5.628 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1O ZINC000252460278 570959993 /nfs/dbraw/zinc/95/99/93/570959993.db2.gz DBDJFNMVKTXUCK-UHFFFAOYSA-N 0 0 388.290 5.114 50 30 GKEARN CCn1c2ccccc2c2cc(C=Nc3ccc(Oc4ccccc4)cc3)ccc21 ZINC000252460755 570959999 /nfs/dbraw/zinc/95/99/99/570959999.db2.gz HXNMIEFDZFURJO-UHFFFAOYSA-N 0 0 390.486 7.357 50 30 GKEARN CCn1c2ccccc2c2cc(C=Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000252460924 570960004 /nfs/dbraw/zinc/96/00/04/570960004.db2.gz JFKNPXXEDRNZSM-UHFFFAOYSA-N 0 0 377.831 6.127 50 30 GKEARN Clc1cc(N=Cc2ccc(Br)s2)ccc1Br ZINC000252461022 570960107 /nfs/dbraw/zinc/96/01/07/570960107.db2.gz JXYDFKCTAYNTII-UHFFFAOYSA-N 0 0 379.504 5.677 50 30 GKEARN CCOc1cc(C=Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 ZINC000252462240 570960471 /nfs/dbraw/zinc/96/04/71/570960471.db2.gz QXDGEKMYSKDUDF-UHFFFAOYSA-N 0 0 388.467 5.373 50 30 GKEARN CCN(CC)c1ccc(C=Nc2ccc(Br)c(Cl)c2)c(O)c1 ZINC000252461670 570960512 /nfs/dbraw/zinc/96/05/12/570960512.db2.gz NJOUARIADKLPQL-UHFFFAOYSA-N 0 0 381.701 5.405 50 30 GKEARN Brc1ccc(C=Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000252462381 570961095 /nfs/dbraw/zinc/96/10/95/570961095.db2.gz RWNLBXWGFUKDJB-UHFFFAOYSA-N 0 0 377.241 6.008 50 30 GKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1 ZINC000004136208 570961286 /nfs/dbraw/zinc/96/12/86/570961286.db2.gz UMCJPBUYEJPOGP-UHFFFAOYSA-N 0 0 398.510 6.153 50 30 GKEARN O=c1c(/C=N/c2cccc(Cl)c2)c(Sc2ccccc2)nc2ccccn12 ZINC000004750961 570963844 /nfs/dbraw/zinc/96/38/44/570963844.db2.gz FAUGMUWZCWUWFW-OEAKJJBVSA-N 0 0 391.883 5.250 50 30 GKEARN CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000007597894 570964236 /nfs/dbraw/zinc/96/42/36/570964236.db2.gz BBQVMEZRPWAHAH-UHFFFAOYSA-N 0 0 379.510 5.435 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 ZINC000004145095 570964471 /nfs/dbraw/zinc/96/44/71/570964471.db2.gz IIBJLMRIIFWZGD-IBGZPJMESA-N 0 0 389.882 6.118 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004756459 570966643 /nfs/dbraw/zinc/96/66/43/570966643.db2.gz WUIAQBCOHLMKNA-OGLMXYFKSA-N 0 0 381.519 6.764 50 30 GKEARN Cc1cc2nc(-c3cccc(/N=C/c4c(O)ccc5ccccc54)c3)oc2cc1C ZINC000003169491 570966831 /nfs/dbraw/zinc/96/68/31/570966831.db2.gz NCXIUKFYGOSIBA-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN N#C[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F ZINC000001389999 570976768 /nfs/dbraw/zinc/97/67/68/570976768.db2.gz UDMZOHBYSQKRPJ-JTQLQIEISA-N 0 0 382.172 5.611 50 30 GKEARN Cc1ccc([C@@H](C#N)c2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000001389499 570976799 /nfs/dbraw/zinc/97/67/99/570976799.db2.gz YGKJCHLQHUILMM-CYBMUJFWSA-N 0 0 395.306 5.631 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000044843211 570979886 /nfs/dbraw/zinc/97/98/86/570979886.db2.gz QSNRGQFXPVTKSC-OUKQBFOZSA-N 0 0 379.378 5.573 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Br)cc2C)cc1 ZINC000044843237 570979909 /nfs/dbraw/zinc/97/99/09/570979909.db2.gz YKSWRJFIISYDRQ-VAWYXSNFSA-N 0 0 388.305 5.745 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C)cc2Br)cc1 ZINC000044843260 570979980 /nfs/dbraw/zinc/97/99/80/570979980.db2.gz KTPLFXCKNHERRR-VAWYXSNFSA-N 0 0 388.305 5.745 50 30 GKEARN COc1ccc(C(=O)C=CNc2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC000044843762 570980233 /nfs/dbraw/zinc/98/02/33/570980233.db2.gz BTVYQHXLOBYGOD-BQYQJAHWSA-N 0 0 385.769 5.185 50 30 GKEARN CCOc1ccc(/C=C2\C[C@H](CC)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000252514744 570982851 /nfs/dbraw/zinc/98/28/51/570982851.db2.gz DBKQCMQFPJSIHK-PAIZGFOESA-N 0 0 390.523 6.340 50 30 GKEARN COc1ccc2c(c1)c(C(=O)N(C)c1cccc(C#N)c1)c(C)n2C1CCCC1 ZINC000084026938 570990860 /nfs/dbraw/zinc/99/08/60/570990860.db2.gz XMFGOQWAQOGWTD-UHFFFAOYSA-N 0 0 387.483 5.222 50 30 GKEARN CN(c1ccccc1)c1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000002186796 570994179 /nfs/dbraw/zinc/99/41/79/570994179.db2.gz BORCCJZOODXSLN-QNGOZBTKSA-N 0 0 388.854 5.452 50 30 GKEARN CCOc1cccc(C=Nc2ccc(Br)c(C(F)(F)F)c2)c1O ZINC000252590601 570998024 /nfs/dbraw/zinc/99/80/24/570998024.db2.gz ATQVTCHONHKJFB-UHFFFAOYSA-N 0 0 388.183 5.323 50 30 GKEARN C=CCn1cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)c2ccccc21 ZINC000252591096 571000991 /nfs/dbraw/zinc/00/09/91/571000991.db2.gz AXNQPNLGISYTIH-IRZHRRCCSA-N 0 0 387.508 5.451 50 30 GKEARN CC[C@@H](C)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002202846 571001054 /nfs/dbraw/zinc/00/10/54/571001054.db2.gz HOVPQAQUNRCPIN-AKJBCIBTSA-N 0 0 397.543 7.067 50 30 GKEARN Fc1ccc(C=Nc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000252592782 571001914 /nfs/dbraw/zinc/00/19/14/571001914.db2.gz BHFOZWKXEYWREG-UHFFFAOYSA-N 0 0 395.502 7.221 50 30 GKEARN COc1cc(Cl)cc(C=Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O ZINC000252593854 571002820 /nfs/dbraw/zinc/00/28/20/571002820.db2.gz BNEXHICVPXWYLE-UHFFFAOYSA-N 0 0 392.842 5.921 50 30 GKEARN Cc1cc(-c2nc3ccccc3o2)ccc1N=Cc1c(O)ccc2ccccc21 ZINC000252593619 571002871 /nfs/dbraw/zinc/00/28/71/571002871.db2.gz BLBBOAILPDRKCB-UHFFFAOYSA-N 0 0 378.431 6.413 50 30 GKEARN Cc1ccc2nc(-c3cc(N=Cc4ccc([N+](=O)[O-])cc4)ccc3Cl)oc2c1 ZINC000252594631 571003165 /nfs/dbraw/zinc/00/31/65/571003165.db2.gz BUBVQTABXMNBRX-UHFFFAOYSA-N 0 0 391.814 6.115 50 30 GKEARN O=[N+]([O-])c1cc(C=Nc2ccc(-c3nc4ncccc4o3)cc2)ccc1Cl ZINC000252595327 571003753 /nfs/dbraw/zinc/00/37/53/571003753.db2.gz BZKLUIMEVAQWKI-UHFFFAOYSA-N 0 0 378.775 5.202 50 30 GKEARN CCCc1sc(N=Cc2ccc3ccccc3c2O)c(C(=O)OCC)c1C ZINC000252597524 571004149 /nfs/dbraw/zinc/00/41/49/571004149.db2.gz CRXNZFFKUCXZBY-UHFFFAOYSA-N 0 0 381.497 5.795 50 30 GKEARN Cc1ccc2nc(-c3ccc(C)c(N=C/C=C\c4ccc([N+](=O)[O-])cc4)c3)oc2c1 ZINC000252598211 571004341 /nfs/dbraw/zinc/00/43/41/571004341.db2.gz CYDABQWPEBMBQZ-HRPWZSTBSA-N 0 0 397.434 6.436 50 30 GKEARN CC(C)(C)c1cc(C=NNc2ccc3ccccc3n2)cc(C(C)(C)C)c1O ZINC000252597911 571004393 /nfs/dbraw/zinc/00/43/93/571004393.db2.gz CWBUZHSSXNAQDS-UHFFFAOYSA-N 0 0 375.516 5.981 50 30 GKEARN Cc1ccccc1N=C(C(=Nc1ccccc1C)c1ccccc1)c1ccccc1 ZINC000252598933 571004632 /nfs/dbraw/zinc/00/46/32/571004632.db2.gz DEUYSGWDVHBEOV-UHFFFAOYSA-N 0 0 388.514 7.245 50 30 GKEARN O=C(c1c(F)c(F)c(Sc2nc3ccccc3o2)c(F)c1F)C(F)(F)F ZINC000002208084 571005080 /nfs/dbraw/zinc/00/50/80/571005080.db2.gz PYYJKIXITMSJLR-UHFFFAOYSA-N 0 0 395.255 5.280 50 30 GKEARN Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000252602950 571006565 /nfs/dbraw/zinc/00/65/65/571006565.db2.gz FMVYYPIANGQNSQ-UHFFFAOYSA-N 0 0 394.689 5.464 50 30 GKEARN O=C1c2ccccc2C(=Nc2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000252603960 571006644 /nfs/dbraw/zinc/00/66/44/571006644.db2.gz FVPJKYCSQKVLSG-IBGZPJMESA-N 0 0 376.253 5.550 50 30 GKEARN Cc1cc(Cl)ccc1-c1ccc(C=Nc2ccc(N3CCOCC3)cc2)o1 ZINC000252603963 571006705 /nfs/dbraw/zinc/00/67/05/571006705.db2.gz FVQVIDPORXUWPA-UHFFFAOYSA-N 0 0 380.875 5.496 50 30 GKEARN CCC(CC)(CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Sc1ccccc1 ZINC000252609367 571009501 /nfs/dbraw/zinc/00/95/01/571009501.db2.gz HSQXNODDRSMRHF-UHFFFAOYSA-N 0 0 388.449 5.252 50 30 GKEARN C=CCn1c(=S)n(CN2CCC[C@@H]2c2ccccc2)nc1-c1ccccc1 ZINC000012764843 571015008 /nfs/dbraw/zinc/01/50/08/571015008.db2.gz HKTWBTDEINBHCV-HXUWFJFHSA-N 0 0 376.529 5.062 50 30 GKEARN CCc1ccc(N=C2S/C(=C\c3cccc(Cl)c3Cl)C(=O)N2C)cc1 ZINC000252611930 571015042 /nfs/dbraw/zinc/01/50/42/571015042.db2.gz IOMXWQAXWSZBJD-JTKJEDPUSA-N 0 0 391.323 5.790 50 30 GKEARN Cc1ccc(-c2nc3cc(N=Cc4ccc(Br)cc4)ccc3o2)cc1 ZINC000252611002 571015095 /nfs/dbraw/zinc/01/50/95/571015095.db2.gz IFSJFPIKDKEQAQ-UHFFFAOYSA-N 0 0 391.268 6.316 50 30 GKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 ZINC000252613452 571016837 /nfs/dbraw/zinc/01/68/37/571016837.db2.gz JBSVFIXRPCUCBB-GXTKKWAKSA-N 0 0 380.513 5.270 50 30 GKEARN N#Cc1c(N=Cc2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000252615485 571017782 /nfs/dbraw/zinc/01/77/82/571017782.db2.gz JSYVLUHZOPVFCV-UHFFFAOYSA-N 0 0 387.442 6.717 50 30 GKEARN O=[N+]([O-])c1ccc(/C=C/C=Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 ZINC000252617384 571019089 /nfs/dbraw/zinc/01/90/89/571019089.db2.gz KRQGRPXMPSRDFF-SKDFXZMKSA-N 0 0 387.370 5.958 50 30 GKEARN O=C(NCc1ccccc1)c1c(N=Cc2cccc(O)c2)sc2c1CCCC2 ZINC000252616862 571019114 /nfs/dbraw/zinc/01/91/14/571019114.db2.gz KHGXOIFEMDHVGO-UHFFFAOYSA-N 0 0 390.508 5.013 50 30 GKEARN CC(C)(C)c1cc(Oc2ccccc2F)nc(SCc2ccccc2C#N)n1 ZINC000037510628 571021249 /nfs/dbraw/zinc/02/12/49/571021249.db2.gz HBUKJMFENKMSMV-UHFFFAOYSA-N 0 0 393.487 5.869 50 30 GKEARN Cc1ccc(N=C(Cl)C(Cl)(Cl)C(Cl)=Nc2ccc(C)cc2)cc1 ZINC000252618592 571021777 /nfs/dbraw/zinc/02/17/77/571021777.db2.gz LIEBWXQSUKXKAG-UHFFFAOYSA-N 0 0 388.125 6.715 50 30 GKEARN Cc1ccc(-c2nc3cc(N=Cc4c(O)cc(C)c(Cl)c4C)ccc3o2)cc1 ZINC000252619379 571022203 /nfs/dbraw/zinc/02/22/03/571022203.db2.gz LOGDSDSXNCMBCJ-UHFFFAOYSA-N 0 0 390.870 6.530 50 30 GKEARN COc1ccc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)cc1Cl ZINC000001435375 571025212 /nfs/dbraw/zinc/02/52/12/571025212.db2.gz SLFVUJAKYIJHJE-ZMOGYAJESA-N 0 0 376.843 6.216 50 30 GKEARN COc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000252620921 571033116 /nfs/dbraw/zinc/03/31/16/571033116.db2.gz MPFMFIJZPXWBDT-UHFFFAOYSA-N 0 0 388.858 5.405 50 30 GKEARN CCOC(=O)c1c(N=Cc2c(O)ccc3ccccc32)sc2c1CC[C@@H](C)C2 ZINC000252621766 571033466 /nfs/dbraw/zinc/03/34/66/571033466.db2.gz NGHQBVPSTMZGGA-CQSZACIVSA-N 0 0 393.508 5.659 50 30 GKEARN S=C(NN=Cc1ccccc1OCc1ccccc1Cl)Nc1ccccc1 ZINC000252622361 571034015 /nfs/dbraw/zinc/03/40/15/571034015.db2.gz NTSVADUGTWNPLH-UHFFFAOYSA-N 0 0 395.915 5.240 50 30 GKEARN Cc1nn(-c2ccccc2)c(N=Cc2cn(C)c3ccccc23)c1-c1ccccc1 ZINC000252624018 571037313 /nfs/dbraw/zinc/03/73/13/571037313.db2.gz PENSUWIFMYVKOE-UHFFFAOYSA-N 0 0 390.490 6.090 50 30 GKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(OCC)c2)SC1=Nc1ccccc1 ZINC000252624339 571037639 /nfs/dbraw/zinc/03/76/39/571037639.db2.gz PLWHKCGSRJDMBE-SPDSTVKKSA-N 0 0 396.512 5.108 50 30 GKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@@H]2/[NH+]=C/c1ccccc1 ZINC000252624648 571038126 /nfs/dbraw/zinc/03/81/26/571038126.db2.gz PSKHDAPOVCIOJR-IPTZPCAESA-N 0 0 379.588 5.878 50 30 GKEARN C#CCSc1nc2ccc(OCC)cc2n1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000004114899 571041906 /nfs/dbraw/zinc/04/19/06/571041906.db2.gz FORXJDZUMDTZDK-KPKJPENVSA-N 0 0 396.899 5.167 50 30 GKEARN C=CCc1ccc(OCCCCOc2ccccc2Br)c(OC)c1 ZINC000004702038 571042363 /nfs/dbraw/zinc/04/23/63/571042363.db2.gz GXOFNVXYGNEQSB-UHFFFAOYSA-N 0 0 391.305 5.424 50 30 GKEARN C=CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 ZINC000005799005 571043866 /nfs/dbraw/zinc/04/38/66/571043866.db2.gz VWEBPVNAMWIUPI-HSZRJFAPSA-N 0 0 397.478 5.410 50 30 GKEARN CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1 ZINC000095866665 571094825 /nfs/dbraw/zinc/09/48/25/571094825.db2.gz QAPVYZRWKDXNDK-UHFFFAOYSA-N 0 0 393.659 9.236 50 30 GKEARN CCCCCCCCCCCCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096022250 571095933 /nfs/dbraw/zinc/09/59/33/571095933.db2.gz KHIZPZYIFRDVGG-UHFFFAOYSA-N 0 0 391.499 7.627 50 30 GKEARN CCCCCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000096022152 571096081 /nfs/dbraw/zinc/09/60/81/571096081.db2.gz PPCNXZYPHVKAJI-UHFFFAOYSA-N 0 0 381.731 5.922 50 30 GKEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000002085490 230824077 /nfs/dbraw/zinc/82/40/77/230824077.db2.gz DDDCJRLXQVIHRA-UHFFFAOYSA-N 0 0 379.312 5.838 50 30 GKEARN N#CCCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000004176944 230832717 /nfs/dbraw/zinc/83/27/17/230832717.db2.gz FNOYYFYNJWUORZ-UHFFFAOYSA-N 0 0 381.284 5.017 50 30 GKEARN Cc1cccc(NN=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1C ZINC000004175497 230832950 /nfs/dbraw/zinc/83/29/50/230832950.db2.gz QNFQSHQIBMRPTQ-MEFGMAGPSA-N 0 0 388.540 5.965 50 30 GKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1 ZINC000004176803 230833035 /nfs/dbraw/zinc/83/30/35/230833035.db2.gz TUNJGROALSIXSH-SDNWHVSQSA-N 0 0 386.476 5.506 50 30 GKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1C ZINC000004175535 230833073 /nfs/dbraw/zinc/83/30/73/230833073.db2.gz FXGXAYFKUOMOTI-SZXQPVLSSA-N 0 0 388.540 5.965 50 30 GKEARN O=C1/C(=C/c2cccs2)CN(Cc2ccccc2)C/C1=C/c1cccs1 ZINC000033246997 230919086 /nfs/dbraw/zinc/91/90/86/230919086.db2.gz VEWNBLZJGWFBIR-MGYAYREDSA-N 0 0 377.534 5.362 50 30 GKEARN N#Cc1c(NC(=O)c2cccc(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000039866972 230928655 /nfs/dbraw/zinc/92/86/55/230928655.db2.gz IIKCLOUDQJUDAD-UHFFFAOYSA-N 0 0 398.849 6.391 50 30 GKEARN O=C1C(=NNc2ccccc2)c2ccccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000100327051 231006456 /nfs/dbraw/zinc/00/64/56/231006456.db2.gz YQDQFAUHZYNUOM-NHFJDJAPSA-N 0 0 395.384 5.068 50 30 GKEARN Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c(C)c1 ZINC000101091684 231009743 /nfs/dbraw/zinc/00/97/43/231009743.db2.gz IXWVOKIEICGMCN-UHFFFAOYSA-N 0 0 393.408 6.499 50 30 GKEARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CCCCC12CCCC2 ZINC000328594086 231046064 /nfs/dbraw/zinc/04/60/64/231046064.db2.gz OOYOJJQYSHKGJF-LJQANCHMSA-N 0 0 388.458 6.012 50 30 GKEARN CCc1ccc(OCc2nnc(SCCC#N)n2[C@@H](C)c2ccccc2)cc1 ZINC000007985238 529695128 /nfs/dbraw/zinc/69/51/28/529695128.db2.gz RFMANQSECIZJLL-KRWDZBQOSA-N 0 0 392.528 5.035 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1Cl)OCO3 ZINC000018197445 210216638 /nfs/dbraw/zinc/21/66/38/210216638.db2.gz YRDQARMEHRPBIX-HXUWFJFHSA-N 0 0 381.859 5.269 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 ZINC000018196708 210216386 /nfs/dbraw/zinc/21/63/86/210216386.db2.gz MKYMRBSWXYCUIJ-SFHVURJKSA-N 0 0 388.250 5.287 50 30 GKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000018159111 210214270 /nfs/dbraw/zinc/21/42/70/210214270.db2.gz KZEMHAYHFISAOW-JIPXPUAJSA-N 0 0 394.518 6.283 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)[C@]12CCOC(C)(C)C2 ZINC000017138319 210206818 /nfs/dbraw/zinc/20/68/18/210206818.db2.gz XOQWQVNJXRZWGS-QHCPKHFHSA-N 0 0 393.556 5.467 50 30 GKEARN N#Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c(F)c1 ZINC000016545311 210191289 /nfs/dbraw/zinc/19/12/89/210191289.db2.gz XXPFOUNYOPBXFF-UHFFFAOYSA-N 0 0 391.789 5.411 50 30 GKEARN N#Cc1cccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)c1 ZINC000016523742 210191078 /nfs/dbraw/zinc/19/10/78/210191078.db2.gz PVDAQOKXZSYXEW-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC ZINC000016051948 210182866 /nfs/dbraw/zinc/18/28/66/210182866.db2.gz NPRJSFWNFTXXQC-QFWQFVLDSA-N 0 0 397.644 5.662 50 30 in-vitro GKEARN N#Cc1c(SCc2ccccc2Cl)nc2c(c1C(F)(F)F)CCCC2 ZINC000009422288 209827804 /nfs/dbraw/zinc/82/78/04/209827804.db2.gz LZNZOKYKACZMIZ-UHFFFAOYSA-N 0 0 382.838 5.797 50 30 GKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2C#N)n1 ZINC000009061026 209811831 /nfs/dbraw/zinc/81/18/31/209811831.db2.gz SUPFWPURJCCXSL-UHFFFAOYSA-N 0 0 375.419 5.434 50 30 GKEARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000007814553 209748371 /nfs/dbraw/zinc/74/83/71/209748371.db2.gz VSYFAWYWSHRXAD-MRXNPFEDSA-N 0 0 391.854 5.560 50 30 GKEARN CNc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000006319989 209642871 /nfs/dbraw/zinc/64/28/71/209642871.db2.gz ZTMBRZNBSJVOEQ-XVNBXDOJSA-N 0 0 385.634 5.493 50 30 GKEARN CC1(C)CC(=O)C=C(Nc2ccc(Cl)cc2NC(=S)Nc2ccccc2)C1 ZINC000005250063 209583310 /nfs/dbraw/zinc/58/33/10/209583310.db2.gz BQKFHLJENHKKOX-UHFFFAOYSA-N 0 0 399.947 5.834 50 30 GKEARN CCOC(=O)c1sc2c(c1C)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004948556 209550565 /nfs/dbraw/zinc/55/05/65/209550565.db2.gz IUVKXIHZVQAMMP-GOSISDBHSA-N 0 0 395.524 5.434 50 30 GKEARN O=C1C[C@@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004986684 209554229 /nfs/dbraw/zinc/55/42/29/209554229.db2.gz FXKNPLAQRZKULA-JQWIXIFHSA-N 0 0 392.307 5.059 50 30 GKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccco1 ZINC000004973579 209553876 /nfs/dbraw/zinc/55/38/76/209553876.db2.gz FEUJNMKRKRKATF-IZHWHUGBSA-N 0 0 386.451 5.268 50 30 GKEARN COc1ccccc1C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000004889548 209539129 /nfs/dbraw/zinc/53/91/29/209539129.db2.gz CGSBPTAPYRCIMQ-UHFFFAOYSA-N 0 0 398.499 5.181 50 30 GKEARN CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(OC)cc1)C(C)(C)CCC2(C)C ZINC000004837053 209530778 /nfs/dbraw/zinc/53/07/78/209530778.db2.gz VPFUMYUBGPIUKX-XUIWWLCJSA-N 0 0 390.571 6.450 50 30 GKEARN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000004690748 209511877 /nfs/dbraw/zinc/51/18/77/209511877.db2.gz IHSWNSKDCHNRRF-ZDUSSCGKSA-N 0 0 376.481 5.159 50 30 GKEARN O=C(/C=C/c1ccc(Br)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000004598225 209501652 /nfs/dbraw/zinc/50/16/52/209501652.db2.gz JXPYEOBCRZDEDQ-XVNBXDOJSA-N 0 0 389.632 5.105 50 30 GKEARN Cc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000004181604 209470896 /nfs/dbraw/zinc/47/08/96/209470896.db2.gz VDKGDFVHPHDGSE-DNVJHFABSA-N 0 0 395.506 5.012 50 30 GKEARN N#Cc1c(-c2ccc(Cl)cc2)ccnc1Oc1ccc(Cl)c(Cl)c1 ZINC000004053727 209461601 /nfs/dbraw/zinc/46/16/01/209461601.db2.gz LYRDYLUZYUNKQC-UHFFFAOYSA-N 0 0 375.642 6.373 50 30 GKEARN CCCCCCCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C ZINC000003121707 209412547 /nfs/dbraw/zinc/41/25/47/209412547.db2.gz YYOCROVHZSOZKJ-REWPJTCUSA-N 0 0 378.560 6.716 50 30 GKEARN Cc1ccc(NC(=O)ON=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000002901386 209396585 /nfs/dbraw/zinc/39/65/85/209396585.db2.gz DNLZCQWVWYLQAL-UHFFFAOYSA-N 0 0 399.277 6.303 50 30 GKEARN CCCCCCCCCCOc1ccc(C(=O)n2c(C)nc3ccccc32)cc1 ZINC000002816578 209387701 /nfs/dbraw/zinc/38/77/01/209387701.db2.gz DJFSDZJIPMAVRO-UHFFFAOYSA-N 0 0 392.543 6.553 50 30 GKEARN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc2ccccc2c1 ZINC000002589423 209369319 /nfs/dbraw/zinc/36/93/19/209369319.db2.gz JUWLDYRIVQTTBW-MFKUBSTISA-N 0 0 396.519 5.725 50 30 GKEARN CSc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002472718 209366195 /nfs/dbraw/zinc/36/61/95/209366195.db2.gz VLCDJXYOZFLDTR-RUZDIDTESA-N 0 0 399.559 6.871 50 30 GKEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCCC2 ZINC000002739239 209381155 /nfs/dbraw/zinc/38/11/55/209381155.db2.gz OABACFMOGPNSJM-UHFFFAOYSA-N 0 0 389.864 5.093 50 30 GKEARN CCCCCCCSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002335513 209357212 /nfs/dbraw/zinc/35/72/12/209357212.db2.gz RBDYTQPWROLMOB-UHFFFAOYSA-N 0 0 396.625 7.300 50 30 GKEARN CC(C)(C)c1cc(/N=C/c2cccc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000002267750 209353894 /nfs/dbraw/zinc/35/38/94/209353894.db2.gz JYKPRBWZJBAPCC-CVKSISIWSA-N 0 0 381.560 6.741 50 30 GKEARN CC(=C/c1ccccc1)/C=C1\S/C(=N\c2ccccc2C(F)(F)F)NC1=O ZINC000002232540 209351598 /nfs/dbraw/zinc/35/15/98/209351598.db2.gz OGCBAXBGSMUZBR-RQGFIEOQSA-N 0 0 388.414 5.543 50 30 GKEARN O=C(C=CNc1ccc(Br)cc1F)c1ccc(Cl)cc1Cl ZINC000002177688 209348336 /nfs/dbraw/zinc/34/83/36/209348336.db2.gz KTQSPQKLDRTJPC-AATRIKPKSA-N 0 0 389.051 5.704 50 30 GKEARN Cc1c2ccccc2sc1COS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000002151841 209348191 /nfs/dbraw/zinc/34/81/91/209348191.db2.gz KDAAZKREPQPUTB-UHFFFAOYSA-N 0 0 387.309 5.422 50 30 GKEARN CCCCCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000002137266 209347810 /nfs/dbraw/zinc/34/78/10/209347810.db2.gz CTRVGJLPGQGFBE-UHFFFAOYSA-N 0 0 394.540 6.412 50 30 GKEARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002081445 209346374 /nfs/dbraw/zinc/34/63/74/209346374.db2.gz NXKOYVAULDCALT-UHFFFAOYSA-N 0 0 391.496 5.495 50 30 GKEARN COc1cc(CNc2sc3c(c2C#N)CCCCCCCCCC3)ccc1O ZINC000002060348 209344723 /nfs/dbraw/zinc/34/47/23/209344723.db2.gz BHNKUYKEYPWLMU-UHFFFAOYSA-N 0 0 398.572 6.165 50 30 GKEARN CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000002050646 209343777 /nfs/dbraw/zinc/34/37/77/209343777.db2.gz ZAYYSZLPJAAFPJ-SRZZPIQSSA-N 0 0 389.318 5.410 50 30 GKEARN Cc1cc2nc(-c3ccc(/N=C/c4c(O)ccc5ccccc54)cc3)oc2cc1C ZINC000001878337 209341505 /nfs/dbraw/zinc/34/15/05/209341505.db2.gz RKSVEPFFLQNHFH-JFLMPSFJSA-N 0 0 392.458 6.721 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 ZINC000001753938 209338517 /nfs/dbraw/zinc/33/85/17/209338517.db2.gz FNZJQJQMGDRTLA-YZSQISJMSA-N 0 0 380.576 6.584 50 30 GKEARN COc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)nc2c1 ZINC000001512273 209331805 /nfs/dbraw/zinc/33/18/05/209331805.db2.gz BQLCCORRKSIOBN-FSJBWODESA-N 0 0 378.815 5.613 50 30 GKEARN O=C1c2ccccc2[C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000001408926 209326782 /nfs/dbraw/zinc/32/67/82/209326782.db2.gz UGOMBOCOCASTDK-FATZIPQQSA-N 0 0 398.487 5.276 50 30 GKEARN CCOc1ccc(/N=C2\c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000001409958 209326299 /nfs/dbraw/zinc/32/62/99/209326299.db2.gz NYNRNYMZNADYAA-UVWSQDQSSA-N 0 0 392.499 5.237 50 30 GKEARN N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000001391872 209325503 /nfs/dbraw/zinc/32/55/03/209325503.db2.gz RILSCTGQKJEEDB-UHFFFAOYSA-N 0 0 388.776 5.107 50 30 GKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccco3)C12 ZINC000001460143 209329245 /nfs/dbraw/zinc/32/92/45/209329245.db2.gz UKSUOTLCMBNMLL-NPMXOYFQSA-N 0 0 399.425 5.184 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 ZINC000001077123 209298539 /nfs/dbraw/zinc/29/85/39/209298539.db2.gz SCMSLUAOQWQNCY-HFJWLAOPSA-N 0 0 398.481 6.114 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccccc1 ZINC000001079448 209298331 /nfs/dbraw/zinc/29/83/31/209298331.db2.gz WCYJSJCWCXMQRV-MRXNPFEDSA-N 0 0 386.278 5.521 50 30 GKEARN Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 ZINC000001079406 209298064 /nfs/dbraw/zinc/29/80/64/209298064.db2.gz HAWKIGJFWUVEQD-UHFFFAOYSA-N 0 0 377.831 5.268 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 ZINC000001066421 209295813 /nfs/dbraw/zinc/29/58/13/209295813.db2.gz FOFOYQPHUBDCMX-XDHUDOTRSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc([N+](=O)[O-])s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001067233 209295375 /nfs/dbraw/zinc/29/53/75/209295375.db2.gz YQUXWNJXUAXPHQ-FQEVSTJZSA-N 0 0 397.500 5.495 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC000001058111 209294143 /nfs/dbraw/zinc/29/41/43/209294143.db2.gz SSHGOQITPBBEJA-UHFFFAOYSA-N 0 0 386.455 5.237 50 30 GKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1ccccc1 ZINC000001042696 209292320 /nfs/dbraw/zinc/29/23/20/209292320.db2.gz LPICXUPZBMUPTK-UFFVCSGVSA-N 0 0 390.226 5.539 50 30 GKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H]1CCCO1 ZINC000001049281 209293927 /nfs/dbraw/zinc/29/39/27/209293927.db2.gz PBPPASXCOPJRQG-APWZRJJASA-N 0 0 389.282 5.075 50 30 GKEARN CSc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001025781 209290421 /nfs/dbraw/zinc/29/04/21/209290421.db2.gz BSMUCANIKIIEPV-QHCPKHFHSA-N 0 0 392.568 6.247 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000001027658 209290127 /nfs/dbraw/zinc/29/01/27/209290127.db2.gz ADXBWSNQGSUCEE-WSDLNYQXSA-N 0 0 393.240 5.714 50 30 GKEARN CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001021934 209289107 /nfs/dbraw/zinc/28/91/07/209289107.db2.gz DODJWSAUPKSHHJ-UHFFFAOYSA-N 0 0 392.539 6.210 50 30 GKEARN Cc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccccc2OCc2ccccc2)cc1 ZINC000000987625 209286315 /nfs/dbraw/zinc/28/63/15/209286315.db2.gz SFWZUGZAGUFXGA-RUZDIDTESA-N 0 0 382.463 5.120 50 30 GKEARN Cc1ccc(/N=C/c2cc(Br)ccc2O)c(C(=O)c2ccccc2)c1 ZINC000000977165 209285201 /nfs/dbraw/zinc/28/52/01/209285201.db2.gz FBPIGPGDALKJFA-YDZHTSKRSA-N 0 0 394.268 5.445 50 30 GKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000861570 209273428 /nfs/dbraw/zinc/27/34/28/209273428.db2.gz BXDZOFTWWWREQO-QFIPXVFZSA-N 0 0 397.515 5.068 50 30 GKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)c3ccccc3)nc3c2CCCC3)o1 ZINC000000841845 209272287 /nfs/dbraw/zinc/27/22/87/209272287.db2.gz UASNJVUGFHWBKK-UHFFFAOYSA-N 0 0 388.492 5.376 50 30 GKEARN CSc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000000816098 209268332 /nfs/dbraw/zinc/26/83/32/209268332.db2.gz UIPZUAMMNLVYON-NRFANRHFSA-N 0 0 393.508 5.338 50 30 GKEARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000816104 209268402 /nfs/dbraw/zinc/26/84/02/209268402.db2.gz VUACYRVXLVZVEM-NRFANRHFSA-N 0 0 381.447 5.044 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000815762 209267905 /nfs/dbraw/zinc/26/79/05/209267905.db2.gz GXATZACNKRJXHB-MZNJEOGPSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000815763 209268027 /nfs/dbraw/zinc/26/80/27/209268027.db2.gz GXATZACNKRJXHB-XDHUDOTRSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000000721230 209262804 /nfs/dbraw/zinc/26/28/04/209262804.db2.gz AEASYVZYAQJXBT-CQLKWFSRSA-N 0 0 395.458 5.178 50 30 GKEARN Brc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000722097 209262637 /nfs/dbraw/zinc/26/26/37/209262637.db2.gz RDNFLMOYZZUPEZ-OEAKJJBVSA-N 0 0 390.284 5.598 50 30 GKEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000000703882 209260719 /nfs/dbraw/zinc/26/07/19/209260719.db2.gz IPRDHJQMCZTHJL-UHFFFAOYSA-N 0 0 397.261 5.550 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(OC)cc3)sc2C1 ZINC000000671845 209257596 /nfs/dbraw/zinc/25/75/96/209257596.db2.gz XZHOBWJEHFZRTJ-HNNXBMFYSA-N 0 0 382.529 5.422 50 30 GKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000631026 209252820 /nfs/dbraw/zinc/25/28/20/209252820.db2.gz NLALFYFKSFKNJL-KDYSTLNUSA-N 0 0 394.518 6.229 50 30 GKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000644096 209253944 /nfs/dbraw/zinc/25/39/44/209253944.db2.gz HTIPPJYHSVSYAT-UHFFFAOYSA-N 0 0 380.484 5.095 50 30 GKEARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C#N)cc1 ZINC000006841263 209233390 /nfs/dbraw/zinc/23/33/90/209233390.db2.gz JQKFEGYITFLGMZ-RSZPVBOMSA-N 0 0 389.524 5.507 50 30 GKEARN CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000857631 209226869 /nfs/dbraw/zinc/22/68/69/209226869.db2.gz XMOWFUQHXLAFTR-QHCPKHFHSA-N 0 0 376.500 5.696 50 30 biogenic GKEARN CCCCCCCCc1ccc(-c2ccc(-c3noc(CCC)n3)cc2)cc1 ZINC000002065189 212263020 /nfs/dbraw/zinc/26/30/20/212263020.db2.gz FAMIFCOWONHXOC-UHFFFAOYSA-N 0 0 376.544 7.259 50 30 GKEARN CCCCCCCc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 ZINC000002054789 212262646 /nfs/dbraw/zinc/26/26/46/212262646.db2.gz WJFQVYIVQIUMOQ-UHFFFAOYSA-N 0 0 399.332 6.679 50 30 GKEARN N#Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001951599 212260125 /nfs/dbraw/zinc/26/01/25/212260125.db2.gz ROPNHWKSOGEWHO-WGOQTCKBSA-N 0 0 393.402 6.144 50 30 GKEARN CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC ZINC000062238159 209213763 /nfs/dbraw/zinc/21/37/63/209213763.db2.gz VCZMOZVQLARCOE-UHFFFAOYSA-N 0 0 394.728 9.958 50 30 GKEARN Cc1ccc(/N=C/c2cc(C)cc(I)c2O)c(Cl)c1 ZINC000001433553 212245008 /nfs/dbraw/zinc/24/50/08/212245008.db2.gz NPLLDLMSOBCEAW-QGMBQPNBSA-N 0 0 385.632 5.018 50 30 GKEARN COc1ccc(SCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000010217998 212238994 /nfs/dbraw/zinc/23/89/94/212238994.db2.gz GWHUTDOVVLHMTD-UHFFFAOYSA-N 0 0 386.542 5.018 50 30 GKEARN CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(C)cc2)c(=O)c1C#N ZINC000001388941 212241155 /nfs/dbraw/zinc/24/11/55/212241155.db2.gz VUIIPYFCWDZDCC-UHFFFAOYSA-N 0 0 380.900 5.119 50 30 GKEARN O=C1/C(=N\OCc2c(F)cccc2Cl)c2ccccc2N1c1ccccc1 ZINC000001387564 212240920 /nfs/dbraw/zinc/24/09/20/212240920.db2.gz ZVTAUDDGQVRBFQ-GFMRDNFCSA-N 0 0 380.806 5.078 50 30 GKEARN N#Cc1c2nc3ccccc3n2c(NCc2cccnc2)cc1-c1ccccc1 ZINC000001307961 212236022 /nfs/dbraw/zinc/23/60/22/212236022.db2.gz BJCBPJOHVZEKJW-UHFFFAOYSA-N 0 0 375.435 5.033 50 30 GKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001276113 212234272 /nfs/dbraw/zinc/23/42/72/212234272.db2.gz WVMIRCJKOBFUNZ-UHFFFAOYSA-N 0 0 393.527 5.011 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000001148545 212223069 /nfs/dbraw/zinc/22/30/69/212223069.db2.gz PGKYTHMRHSCDLG-UQBPGWFLSA-N 0 0 381.479 5.370 50 30 GKEARN COc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl ZINC000001101707 212216929 /nfs/dbraw/zinc/21/69/29/212216929.db2.gz HNRLSCBDDJHNDW-CIAFOILYSA-N 0 0 389.680 5.652 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(Cl)cc1 ZINC000001102346 212216285 /nfs/dbraw/zinc/21/62/85/212216285.db2.gz VLDGSSHAIMYNBX-HSZRJFAPSA-N 0 0 388.898 6.198 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C[C@@H]2c1cccs1 ZINC000001076245 212213972 /nfs/dbraw/zinc/21/39/72/212213972.db2.gz ZTLBCVYDVZTBHU-OAHLLOKOSA-N 0 0 385.916 5.565 50 30 GKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccco1 ZINC000001049174 212210258 /nfs/dbraw/zinc/21/02/58/212210258.db2.gz UKQYEPKBKQREAO-MRXNPFEDSA-N 0 0 385.250 5.803 50 30 GKEARN CSc1nc(Nc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1C#N ZINC000001043101 212209974 /nfs/dbraw/zinc/20/99/74/212209974.db2.gz CSKYFOUDRHYNJP-UHFFFAOYSA-N 0 0 377.313 5.456 50 30 GKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000001049128 212209625 /nfs/dbraw/zinc/20/96/25/212209625.db2.gz FFWHGKJNXRYADL-LJQANCHMSA-N 0 0 395.289 6.210 50 30 GKEARN N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCc1ccccn1 ZINC000001057664 212210707 /nfs/dbraw/zinc/21/07/07/212210707.db2.gz KREZLHWDDHZDQG-UHFFFAOYSA-N 0 0 385.517 6.036 50 30 GKEARN Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000709528 212177193 /nfs/dbraw/zinc/17/71/93/212177193.db2.gz GJZHLJMWIVFNSU-BCHFMIIMSA-N 0 0 380.491 5.975 50 30 GKEARN N#Cc1c(SCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000000711292 212176957 /nfs/dbraw/zinc/17/69/57/212176957.db2.gz QOOIZXWQRZDLSK-UHFFFAOYSA-N 0 0 376.428 5.993 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000709503 212177080 /nfs/dbraw/zinc/17/70/80/212177080.db2.gz ANMLZPLSKAQSBD-FQRUVTKNSA-N 0 0 380.491 5.975 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000754925 212179527 /nfs/dbraw/zinc/17/95/27/212179527.db2.gz WOSPGTYVLHSBKI-XMMPIXPASA-N 0 0 398.462 6.058 50 30 GKEARN COc1nc(-c2ccccc2Br)cc(-c2ccc(C)cc2)c1C#N ZINC000000624325 212166124 /nfs/dbraw/zinc/16/61/24/212166124.db2.gz ZTMKARXTTUYSAC-UHFFFAOYSA-N 0 0 379.257 5.367 50 30 GKEARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000648018 212170060 /nfs/dbraw/zinc/17/00/60/212170060.db2.gz QDPDMGZCWMXMCS-DJJJIMSYSA-N 0 0 382.529 5.158 50 30 GKEARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000648022 212169958 /nfs/dbraw/zinc/16/99/58/212169958.db2.gz QDPDMGZCWMXMCS-BFUOFWGJSA-N 0 0 382.529 5.158 50 30 GKEARN N#Cc1c(SCc2cccs2)nc(C(F)(F)F)cc1-c1ccccc1F ZINC000000652209 212169159 /nfs/dbraw/zinc/16/91/59/212169159.db2.gz PLKYJQIATBZCFI-UHFFFAOYSA-N 0 0 394.418 6.132 50 30 GKEARN C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c(O)c1 ZINC000096781098 212156436 /nfs/dbraw/zinc/15/64/36/212156436.db2.gz AVGNSIGKRDWKBJ-UHFFFAOYSA-N 0 0 399.288 5.475 50 30 GKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 ZINC000005253602 212146554 /nfs/dbraw/zinc/14/65/54/212146554.db2.gz RLRSPNZZKZSOFX-QRVIBDJDSA-N 0 0 399.402 5.433 50 30 GKEARN C=C(C)COc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000001463977 212144354 /nfs/dbraw/zinc/14/43/54/212144354.db2.gz JUDWUEZYBAICQZ-UHFFFAOYSA-N 0 0 385.257 5.486 50 30 biogenic GKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)ccc1O ZINC000000902584 212142642 /nfs/dbraw/zinc/14/26/42/212142642.db2.gz CCEMVLTVPWKCKA-RUZDIDTESA-N 0 0 399.490 5.864 50 30 biogenic GKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000257349497 212140189 /nfs/dbraw/zinc/14/01/89/212140189.db2.gz OMXMJJANSZPKPZ-HUGUFQLYSA-N 0 0 384.692 8.664 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 ZINC000002275050 212102032 /nfs/dbraw/zinc/10/20/32/212102032.db2.gz XBOGZABBICHFMR-UHFFFAOYSA-N 0 0 382.554 5.053 50 30 GKEARN C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000002373492 212101681 /nfs/dbraw/zinc/10/16/81/212101681.db2.gz PFOBAAIARNFSDM-JOCHJYFZSA-N 0 0 376.858 6.822 50 30 GKEARN C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000001755511 212101655 /nfs/dbraw/zinc/10/16/55/212101655.db2.gz LPBZAIDSMZJIAY-UHFFFAOYSA-N 0 0 389.549 6.063 50 30 GKEARN Cc1cccc(Cl)c1/N=C/c1ccc(/C=N/c2c(C)cccc2Cl)cc1 ZINC000002161888 212101301 /nfs/dbraw/zinc/10/13/01/212101301.db2.gz QOHBXHZSZUJEBB-BKHCZYBLSA-N 0 0 381.306 7.111 50 30 GKEARN C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000001147246 212099791 /nfs/dbraw/zinc/09/97/91/212099791.db2.gz ZUNAXKWMBORNBK-DHDCSXOGSA-N 0 0 380.252 5.476 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C)c(C(=O)OCC)s2)c1 ZINC000001058223 212099475 /nfs/dbraw/zinc/09/94/75/212099475.db2.gz KSUCGLXREDQFBS-UHFFFAOYSA-N 0 0 386.517 5.323 50 30 GKEARN C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCC3 ZINC000000984892 212100172 /nfs/dbraw/zinc/10/01/72/212100172.db2.gz XDORZQMFROADGE-UHFFFAOYSA-N 0 0 382.554 5.042 50 30 GKEARN C=C(C)CSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000009698135 212096167 /nfs/dbraw/zinc/09/61/67/212096167.db2.gz UXUIPHUVIBEZPA-HSZRJFAPSA-N 0 0 380.557 5.499 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000004879689 212080226 /nfs/dbraw/zinc/08/02/26/212080226.db2.gz VKZRSHLBGQBFCS-NFBKMPQASA-N 0 0 388.492 5.555 50 30 GKEARN CCC1C/C(=C\c2ccc3c(c2)OCO3)C(=O)/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000004916117 212064729 /nfs/dbraw/zinc/06/47/29/212064729.db2.gz RJCPNYNVRFOUSQ-VNIJRHKQSA-N 0 0 390.435 5.000 50 30 GKEARN Cc1cc([N+](=O)[O-])c(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Cl ZINC000001085924 212061320 /nfs/dbraw/zinc/06/13/20/212061320.db2.gz IKOCRBTUXOPHFI-UHFFFAOYSA-N 0 0 393.782 5.279 50 30 GKEARN C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000004739944 203754061 /nfs/dbraw/zinc/75/40/61/203754061.db2.gz YXSUIUWWHYVMFX-XMMPIXPASA-N 0 0 382.438 5.705 50 30 GKEARN C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000005535895 203756768 /nfs/dbraw/zinc/75/67/68/203756768.db2.gz OQMBFLMDISONKL-HNNXBMFYSA-N 0 0 382.316 5.042 50 30 GKEARN C=CCOc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000012809500 203775193 /nfs/dbraw/zinc/77/51/93/203775193.db2.gz BHWVRJALKRRZKV-WUKNDPDISA-N 0 0 380.447 5.121 50 30 GKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000000656875 203845307 /nfs/dbraw/zinc/84/53/07/203845307.db2.gz CJNARFWTZFZHOB-YBFXNURJSA-N 0 0 379.393 5.193 50 30 GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000005139923 203825427 /nfs/dbraw/zinc/82/54/27/203825427.db2.gz JHBINWMPIKZNGC-ODLFYWEKSA-N 0 0 385.257 5.410 50 30 GKEARN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)CC(=O)N2c1ccc(F)cc1F ZINC000001079586 203880355 /nfs/dbraw/zinc/88/03/55/203880355.db2.gz XRKBMIXLGFNHIL-CQSZACIVSA-N 0 0 387.813 5.146 50 30 GKEARN O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001079922 203880769 /nfs/dbraw/zinc/88/07/69/203880769.db2.gz BNQZKWVYYGOLQV-KRWDZBQOSA-N 0 0 385.385 5.233 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000001079463 203881170 /nfs/dbraw/zinc/88/11/70/203881170.db2.gz HIORRLLYXMNRQY-SFHVURJKSA-N 0 0 379.887 5.504 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)ccc1Cl ZINC000001433915 203909244 /nfs/dbraw/zinc/90/92/44/203909244.db2.gz RVOXKYNILRLGIT-FOKLQQMPSA-N 0 0 395.777 5.946 50 30 GKEARN CCCCCCCCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000002086068 203926753 /nfs/dbraw/zinc/92/67/53/203926753.db2.gz CFSKNIHHDYKYOF-UHFFFAOYSA-N 0 0 386.605 7.187 50 30 GKEARN CCCc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002206850 203930971 /nfs/dbraw/zinc/93/09/71/203930971.db2.gz DQYMYDUMXSAAJT-VWLOTQADSA-N 0 0 383.516 6.506 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccc(Cl)cc1Cl ZINC000003138136 203987736 /nfs/dbraw/zinc/98/77/36/203987736.db2.gz LXKBGZGYHRXSIO-YGYUYSJASA-N 0 0 381.258 6.393 50 30 GKEARN O=[N+]([O-])c1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Cl)ccc3[nH]2)o1 ZINC000004321090 204038530 /nfs/dbraw/zinc/03/85/30/204038530.db2.gz QUOTZBQYNRPJIC-WSDLNYQXSA-N 0 0 392.802 5.502 50 30 GKEARN C[C@@H](C#N)OC(=O)c1c2ccccc2nc2c1C[C@H](C)C/C2=C\c1ccccc1 ZINC000004340752 204039158 /nfs/dbraw/zinc/03/91/58/204039158.db2.gz JEXWBLFHMKTLOH-RNGVDHTISA-N 0 0 382.463 5.427 50 30 GKEARN CSc1scc2c1C(=NOC(=O)Nc1ccc(Cl)cc1)CC(C)(C)C2 ZINC000004350436 204040418 /nfs/dbraw/zinc/04/04/18/204040418.db2.gz KCJQSOAWGZERQJ-KGENOOAVSA-N 0 0 394.949 6.049 50 30 GKEARN COc1cc(C(=O)Oc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000003425101 204006376 /nfs/dbraw/zinc/00/63/76/204006376.db2.gz ACZXPCBDGHCBNC-UHFFFAOYSA-N 0 0 393.826 5.018 50 30 GKEARN CCCCCCCCCNc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1)CC2=O ZINC000003771444 204019362 /nfs/dbraw/zinc/01/93/62/204019362.db2.gz ZBVAVLXMYPSOAF-LJQANCHMSA-N 0 0 395.547 5.560 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3ccc(F)cc3)C12 ZINC000004386435 204042800 /nfs/dbraw/zinc/04/28/00/204042800.db2.gz XCMUYWXEEBJOJC-IQMFZBJNSA-N 0 0 399.425 5.184 50 30 GKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004032161 204024247 /nfs/dbraw/zinc/02/42/47/204024247.db2.gz ITBNVEMZHCUOTP-QFIPXVFZSA-N 0 0 393.527 5.085 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000004086514 204026792 /nfs/dbraw/zinc/02/67/92/204026792.db2.gz DWQCXGIDZWLKIY-ASSNKEHSSA-N 0 0 378.522 5.789 50 30 GKEARN CCN(CC)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1 ZINC000004151061 204028522 /nfs/dbraw/zinc/02/85/22/204028522.db2.gz NIDQRMSNOUZTBQ-RUZDIDTESA-N 0 0 396.534 6.251 50 30 GKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 ZINC000004159713 204030730 /nfs/dbraw/zinc/03/07/30/204030730.db2.gz ULEPZRXQSKJZTN-RMKNXTFCSA-N 0 0 377.654 6.803 50 30 GKEARN CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000004699521 204065091 /nfs/dbraw/zinc/06/50/91/204065091.db2.gz IOYJVJOSNPUXJC-NJMAKWBESA-N 0 0 375.497 5.572 50 30 GKEARN N#C[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004723604 204067991 /nfs/dbraw/zinc/06/79/91/204067991.db2.gz TYZHIEMLQKJQDI-PKTZIBPZSA-N 0 0 382.423 5.011 50 30 GKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)c1ccccc1 ZINC000004734527 204070592 /nfs/dbraw/zinc/07/05/92/204070592.db2.gz XSDUJTDZEMJZAT-UHFFFAOYSA-N 0 0 388.536 5.396 50 30 GKEARN Oc1ccc(Cl)cc1/C=N/c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004756460 204074877 /nfs/dbraw/zinc/07/48/77/204074877.db2.gz OEYACBUMPGYUSA-CVKSISIWSA-N 0 0 379.931 6.555 50 30 GKEARN COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)[C@@H]2CC(=O)c1ccc(F)cc1 ZINC000004778732 204075260 /nfs/dbraw/zinc/07/52/60/204075260.db2.gz AGURVECRTVMSTH-QGZVFWFLSA-N 0 0 394.442 5.227 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1Br ZINC000004810538 204076900 /nfs/dbraw/zinc/07/69/00/204076900.db2.gz VRLXWTNMPNMVDQ-FQEVSTJZSA-N 0 0 397.316 5.671 50 30 GKEARN C[C@@H]1C/C(=C\c2ccc3ccccc3c2)C(=O)/C(=C\c2cccc3ccccc23)C1 ZINC000004825945 204078905 /nfs/dbraw/zinc/07/89/05/204078905.db2.gz OQDQFJMHJDIRAD-PNFSMXOCSA-N 0 0 388.510 7.459 50 30 GKEARN COc1ccccc1-n1cnc2cc(/N=C/c3c(O)ccc4ccccc43)ccc21 ZINC000004608218 204057273 /nfs/dbraw/zinc/05/72/73/204057273.db2.gz POSJIMZXYPJRHP-CVKSISIWSA-N 0 0 393.446 5.644 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3c(Cl)cccc3Cl)sc2C1 ZINC000004611738 204058201 /nfs/dbraw/zinc/05/82/01/204058201.db2.gz ZGOWPPIWTWNJFC-SNVBAGLBSA-N 0 0 379.312 5.694 50 30 GKEARN COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccccc1 ZINC000004657357 204059494 /nfs/dbraw/zinc/05/94/94/204059494.db2.gz ZTFLBHITSKNOCF-BQYQJAHWSA-N 0 0 396.078 5.116 50 30 GKEARN COCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N\c1ccccc1 ZINC000004660383 204060926 /nfs/dbraw/zinc/06/09/26/204060926.db2.gz PESYGBTYPWDHEG-BLFRMDKKSA-N 0 0 380.513 5.060 50 30 GKEARN CCc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004674092 204061778 /nfs/dbraw/zinc/06/17/78/204061778.db2.gz UWEBNCKSLUTZJJ-UHFFFAOYSA-N 0 0 396.538 6.562 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Cl)sc2C1 ZINC000004673422 204061798 /nfs/dbraw/zinc/06/17/98/204061798.db2.gz RHCRPXFKSSQNHV-CYBMUJFWSA-N 0 0 386.948 6.067 50 30 GKEARN Oc1ccccc1CN=Nc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000004680573 204063653 /nfs/dbraw/zinc/06/36/53/204063653.db2.gz GVAOYPYDRWJGEJ-NUGSKGIGSA-N 0 0 380.860 5.163 50 30 GKEARN N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000004689726 204064413 /nfs/dbraw/zinc/06/44/13/204064413.db2.gz FUDAXOLRMKALFF-CHHVJCJISA-N 0 0 391.304 5.271 50 30 GKEARN CCSC1=N/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)S1 ZINC000005102387 204111446 /nfs/dbraw/zinc/11/14/46/204111446.db2.gz PMMALLNKBHDDLN-PTNGSMBKSA-N 0 0 377.575 5.711 50 30 GKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000005172531 204116294 /nfs/dbraw/zinc/11/62/94/204116294.db2.gz AIGLYDICTSOFFN-UHFFFAOYSA-N 0 0 392.813 5.521 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000005175254 204116499 /nfs/dbraw/zinc/11/64/99/204116499.db2.gz KJEBBAXEGQXRET-QHCPKHFHSA-N 0 0 392.474 5.379 50 30 GKEARN CC[C@H](C)Nc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005249023 204122469 /nfs/dbraw/zinc/12/24/69/204122469.db2.gz UBZBIMKORUSOQK-KRWDZBQOSA-N 0 0 382.511 5.777 50 30 GKEARN CC/C(=N\Nc1nc2c3ccccc3n(C(C)=O)c2s1)c1ccc(OC)cc1 ZINC000005302262 204124873 /nfs/dbraw/zinc/12/48/73/204124873.db2.gz RSJUKYISZOTAST-HAVVHWLPSA-N 0 0 392.484 5.146 50 30 GKEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000005320647 204125922 /nfs/dbraw/zinc/12/59/22/204125922.db2.gz HVKCBNUPZFNZJJ-SIHVKLMXSA-N 0 0 380.487 6.582 50 30 GKEARN CCN(CC)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CCCC3=O)cc1 ZINC000005321964 204126277 /nfs/dbraw/zinc/12/62/77/204126277.db2.gz BWDJSDXYDFJONL-HHHXNRCGSA-N 0 0 396.534 6.359 50 30 GKEARN O=C(/C=C/c1ccco1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004942334 204094589 /nfs/dbraw/zinc/09/45/89/204094589.db2.gz XAZUHZCHWZSCSD-BQYQJAHWSA-N 0 0 375.468 5.331 50 30 GKEARN CC1C/C(=C\c2cn(C)c3ccccc23)C(=O)/C(=C/c2cn(C)c3ccccc23)C1 ZINC000004950685 204095769 /nfs/dbraw/zinc/09/57/69/204095769.db2.gz BCIGZZMVHFZUPK-PXXPDPNMSA-N 0 0 394.518 6.136 50 30 GKEARN Cc1nc(-c2ccccc2)nc(N=NC(C)c2ccc(Br)cc2)c1C ZINC000004947164 204095905 /nfs/dbraw/zinc/09/59/05/204095905.db2.gz JJNLRXDAMCYDGF-BUVRLJJBSA-N 0 0 395.304 5.359 50 30 GKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1cccc(Cl)c1Cl ZINC000004953339 204096185 /nfs/dbraw/zinc/09/61/85/204096185.db2.gz AYJCUDDAHUFDDI-ZROIWOOFSA-N 0 0 380.321 5.897 50 30 GKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccco1 ZINC000004973578 204098048 /nfs/dbraw/zinc/09/80/48/204098048.db2.gz FEUJNMKRKRKATF-OYLFLEFRSA-N 0 0 386.451 5.268 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000005343536 204127637 /nfs/dbraw/zinc/12/76/37/204127637.db2.gz AWLBFHSWHGXHLM-HJPURHCSSA-N 0 0 381.435 5.045 50 30 GKEARN Fc1ccccc1-c1nc2ccccc2c(N=NCc2ccc(Cl)cc2)n1 ZINC000005025047 204103840 /nfs/dbraw/zinc/10/38/40/204103840.db2.gz XRHDEWPVKHBOIB-ZMOGYAJESA-N 0 0 376.822 5.535 50 30 GKEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)c2ccccc12 ZINC000005023004 204104117 /nfs/dbraw/zinc/10/41/17/204104117.db2.gz CCGUOBAKHAHWNG-XDHOZWIPSA-N 0 0 394.883 5.393 50 30 GKEARN N#Cc1c2c(sc1-n1ncnc1-c1cccc(Cl)c1Cl)CCCC2 ZINC000005816159 204152842 /nfs/dbraw/zinc/15/28/42/204152842.db2.gz GNGZJFJDHFWKJJ-UHFFFAOYSA-N 0 0 375.284 5.053 50 30 GKEARN Oc1ccc(CN=Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000005893868 204155216 /nfs/dbraw/zinc/15/52/16/204155216.db2.gz SFIURZSUPJVDPT-NUGSKGIGSA-N 0 0 380.860 5.163 50 30 GKEARN Cc1c(/N=C/C=C/c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000005881676 204155328 /nfs/dbraw/zinc/15/53/28/204155328.db2.gz HOBKKRAMDWNYPI-NVMGMXFGSA-N 0 0 383.407 6.127 50 30 GKEARN N#Cc1ccc(COC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000005938689 204159198 /nfs/dbraw/zinc/15/91/98/204159198.db2.gz LFBSULNROOVKIS-ZWKOTPCHSA-N 0 0 376.481 5.185 50 30 GKEARN Brc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)cc1 ZINC000005457924 204133535 /nfs/dbraw/zinc/13/35/35/204133535.db2.gz HIWHPSBBUHMBJI-RGVLZGJSSA-N 0 0 381.233 5.031 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccc4O)c3c2C1 ZINC000005501447 204136273 /nfs/dbraw/zinc/13/62/73/204136273.db2.gz BAQCYDWMHVDNNU-HURLIOHXSA-N 0 0 394.544 5.384 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccs4)c3c2C1 ZINC000005501457 204136513 /nfs/dbraw/zinc/13/65/13/204136513.db2.gz IGBMIDBSXOVOBX-HJQVIKLGSA-N 0 0 384.574 5.740 50 30 GKEARN CC(C)n1cc(CN=Nc2ncnc3sc4c(c32)CCCC4)c2ccccc21 ZINC000005516347 204137096 /nfs/dbraw/zinc/13/70/96/204137096.db2.gz IJCIBPKIUXZGJJ-OPEKNORGSA-N 0 0 389.528 5.552 50 30 GKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3sccc3-c3ccccc3)sc2C1 ZINC000006881984 204219787 /nfs/dbraw/zinc/21/97/87/204219787.db2.gz JWYQQYPNVNWQHB-ZDUSSCGKSA-N 0 0 378.522 5.725 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000006275855 204173380 /nfs/dbraw/zinc/17/33/80/204173380.db2.gz CUEBUKDKPBFHLC-JOCHJYFZSA-N 0 0 391.471 5.434 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 ZINC000006475463 204180330 /nfs/dbraw/zinc/18/03/30/204180330.db2.gz LYUMHULKVIMFQL-UHFFFAOYSA-N 0 0 388.521 5.219 50 30 GKEARN O=C1c2ccccc2C(Nc2cccc(Cl)c2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000006535802 204182628 /nfs/dbraw/zinc/18/26/28/204182628.db2.gz GKCXYIMOIMUFOI-ATJXCDBQSA-N 0 0 376.799 5.809 50 30 GKEARN COc1ccc2cc(-c3cc(C(=O)O[C@H](C)C#N)c4ccccc4n3)ccc2c1 ZINC000006586789 204184598 /nfs/dbraw/zinc/18/45/98/204184598.db2.gz ULNCJWMQOOISAM-OAHLLOKOSA-N 0 0 382.419 5.132 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(C)o3)sc2C1 ZINC000035396074 204185464 /nfs/dbraw/zinc/18/54/64/204185464.db2.gz IVPAZHHPOHGJSP-KLQCNHIUSA-N 0 0 382.529 5.714 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3sccc3-c3ccccc3)sc2C1 ZINC000006881983 204220592 /nfs/dbraw/zinc/22/05/92/204220592.db2.gz JWYQQYPNVNWQHB-CYBMUJFWSA-N 0 0 378.522 5.725 50 30 GKEARN C[C@@H]1CCCC[C@H]1n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC000008887048 204292857 /nfs/dbraw/zinc/29/28/57/204292857.db2.gz IHQPLTRJXYYUOZ-OXQOHEQNSA-N 0 0 389.528 5.255 50 30 GKEARN CCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000008386528 204274721 /nfs/dbraw/zinc/27/47/21/204274721.db2.gz BDQMWWHMBRWIMI-NKFKGCMQSA-N 0 0 376.500 5.842 50 30 GKEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccs1 ZINC000009578853 204316710 /nfs/dbraw/zinc/31/67/10/204316710.db2.gz BZHDWIGTAULBAA-RHSMWYFYSA-N 0 0 399.585 5.114 50 30 GKEARN C=CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002319541 209171614 /nfs/dbraw/zinc/17/16/14/209171614.db2.gz BPRJVIGOVWYXGI-UHFFFAOYSA-N 0 0 399.585 5.567 50 30 GKEARN C=CCSc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000002426815 209170673 /nfs/dbraw/zinc/17/06/73/209170673.db2.gz DONBYCIXZOXZKQ-UHFFFAOYSA-N 0 0 385.536 5.882 50 30 GKEARN C=CCN1c2ccccc2Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2C1=O ZINC000001072058 209167749 /nfs/dbraw/zinc/16/77/49/209167749.db2.gz RSZADFNBPPVAQR-UHFFFAOYSA-N 0 0 388.379 5.326 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)SC1=S ZINC000001250143 209169884 /nfs/dbraw/zinc/16/98/84/209169884.db2.gz DELFEJVYNVIYTJ-MHWRWJLKSA-N 0 0 375.902 5.296 50 30 GKEARN C=C1[C@H](C(=O)Nc2ccc3ccccc3c2)[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000001462537 209169576 /nfs/dbraw/zinc/16/95/76/209169576.db2.gz FWDGYDQSLQDGLW-ZEQRLZLVSA-N 0 0 392.458 5.372 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 ZINC000002271404 209169047 /nfs/dbraw/zinc/16/90/47/209169047.db2.gz YGPVVRVVSCZQJD-UHFFFAOYSA-N 0 0 396.581 5.443 50 30 GKEARN C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCc1ccccc1-3 ZINC000002336866 209168638 /nfs/dbraw/zinc/16/86/38/209168638.db2.gz GGXYFEGQSGUKQD-UHFFFAOYSA-N 0 0 380.538 5.078 50 30 GKEARN C=C(C)Cn1c(SCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002230228 209168172 /nfs/dbraw/zinc/16/81/72/209168172.db2.gz RATDIGYLDHZURB-UHFFFAOYSA-N 0 0 380.557 5.356 50 30 biogenic GKEARN CCCCc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000019820657 204685691 /nfs/dbraw/zinc/68/56/91/204685691.db2.gz KCJPWZPDGAXRGG-UHFFFAOYSA-N 0 0 388.540 6.132 50 30 GKEARN C=CCSC1=N/C(=C\c2ccsc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004882997 211972180 /nfs/dbraw/zinc/97/21/80/211972180.db2.gz KFUBIVNNRIVNDE-DHDCSXOGSA-N 0 0 390.917 5.073 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)n1 ZINC000022723177 204787584 /nfs/dbraw/zinc/78/75/84/204787584.db2.gz XIJIHIDNBZFMIU-NSHDSACASA-N 0 0 389.402 5.125 50 30 GKEARN Cc1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1C ZINC000033011029 204939512 /nfs/dbraw/zinc/93/95/12/204939512.db2.gz PBOUQBUILUAKDD-UHFFFAOYSA-N 0 0 379.510 5.029 50 30 GKEARN COc1cccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1OC ZINC000035132179 204982332 /nfs/dbraw/zinc/98/23/32/204982332.db2.gz XKJWGFBEWYDGLK-OBGWFSINSA-N 0 0 384.435 5.004 50 30 GKEARN C=CC[NH+](CC=C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005129937 209140343 /nfs/dbraw/zinc/14/03/43/209140343.db2.gz BQSMDOYYINIQJM-QGZVFWFLSA-N 0 0 389.326 5.136 50 30 GKEARN N#Cc1c(SCc2ccc(F)cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000037868544 205032502 /nfs/dbraw/zinc/03/25/02/205032502.db2.gz RHIGILDDKITJSA-UHFFFAOYSA-N 0 0 394.418 6.132 50 30 GKEARN C=CCSc1nc(-c2ccc(OCCCC)cc2)cc(C(F)(F)F)c1C#N ZINC000006026227 209142545 /nfs/dbraw/zinc/14/25/45/209142545.db2.gz BIQZUIQVKMTWCP-UHFFFAOYSA-N 0 0 392.446 6.096 50 30 GKEARN C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 ZINC000004345981 209138941 /nfs/dbraw/zinc/13/89/41/209138941.db2.gz FFWYREVSPAAVBB-UHFFFAOYSA-N 0 0 389.446 5.751 50 30 GKEARN C=C[C@](C)(CC[C@@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@@]21C)OC(C)=O ZINC000004680692 209138711 /nfs/dbraw/zinc/13/87/11/209138711.db2.gz JRCDNYSMCYLMMV-KHFRZORUSA-N 0 0 392.580 5.839 50 30 GKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC=C)n2)cc1 ZINC000003637055 209138342 /nfs/dbraw/zinc/13/83/42/209138342.db2.gz TZBXJZGATCLWJK-UHFFFAOYSA-N 0 0 376.403 5.482 50 30 GKEARN C=CCNc1nc(SCc2ccccc2Cl)nc(-c2ccccc2)c1C#N ZINC000004042148 209137581 /nfs/dbraw/zinc/13/75/81/209137581.db2.gz CCQWNSYGPMUYNO-UHFFFAOYSA-N 0 0 392.915 5.559 50 30 GKEARN C=CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000004073630 209137385 /nfs/dbraw/zinc/13/73/85/209137385.db2.gz XAVJYKWIOSCLKM-PYCFMQQDSA-N 0 0 380.447 5.086 50 30 GKEARN C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000042512771 205080403 /nfs/dbraw/zinc/08/04/03/205080403.db2.gz PJGYWVTWVCKBTH-NSHDSACASA-N 0 0 399.566 5.103 50 30 GKEARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096842055 205573104 /nfs/dbraw/zinc/57/31/04/205573104.db2.gz PWCGIWSYPKDUOF-MLPAPPSSSA-N 0 0 376.843 5.143 50 30 GKEARN Cc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c(C#N)cc2c1 ZINC000001222307 205707216 /nfs/dbraw/zinc/70/72/16/205707216.db2.gz WVBCIIJUINFTLH-UHFFFAOYSA-N 0 0 381.888 5.108 50 30 GKEARN C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1C1CCCCC1 ZINC000007784303 205788481 /nfs/dbraw/zinc/78/84/81/205788481.db2.gz YJSZSAIIIOUXHF-UHFFFAOYSA-N 0 0 380.517 5.459 50 30 GKEARN C=C(Cl)COc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl ZINC000002811805 205927706 /nfs/dbraw/zinc/92/77/06/205927706.db2.gz OICMJXMJGKNYAU-UHFFFAOYSA-N 0 0 375.251 5.477 50 30 GKEARN C=CCSc1nc2c(c(=O)n1CC=C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002922624 206033877 /nfs/dbraw/zinc/03/38/77/206033877.db2.gz DARSXULVYWIRGV-UHFFFAOYSA-N 0 0 378.541 5.132 50 30 biogenic GKEARN Cc1cc(-c2csc(CC#N)n2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000014092900 211703319 /nfs/dbraw/zinc/70/33/19/211703319.db2.gz JRARUFGQQPLSLF-UHFFFAOYSA-N 0 0 383.520 5.932 50 30 GKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]21C ZINC000257347354 206183022 /nfs/dbraw/zinc/18/30/22/206183022.db2.gz FXRYPRSTXONWAP-WLKYKNMLSA-N 0 0 388.592 5.612 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000005517842 206229171 /nfs/dbraw/zinc/22/91/71/206229171.db2.gz AWGBZXBPUGTOCQ-UHFFFAOYSA-N 0 0 396.581 5.248 50 30 GKEARN C=CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccccc1 ZINC000004958504 206228392 /nfs/dbraw/zinc/22/83/92/206228392.db2.gz VSPMETOUXIOJHL-UHFFFAOYSA-N 0 0 376.887 5.600 50 30 GKEARN CC(C)=N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000004475458 206215508 /nfs/dbraw/zinc/21/55/08/206215508.db2.gz JBFFCFJGMMFGDR-DYTRJAOYSA-N 0 0 386.318 5.265 50 30 GKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccc(N(C)C)c1 ZINC000014115476 206247350 /nfs/dbraw/zinc/24/73/50/206247350.db2.gz OMKBDGSOUGHGPP-UHFFFAOYSA-N 0 0 384.936 5.143 50 30 GKEARN CCOC(=O)[C@H](C#N)C(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000000640735 206248034 /nfs/dbraw/zinc/24/80/34/206248034.db2.gz RRDOGGURDLJRMR-XMMPIXPASA-N 0 0 379.459 5.828 50 30 GKEARN C=CCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000001793001 206248407 /nfs/dbraw/zinc/24/84/07/206248407.db2.gz UOIPYWVVMOWERO-UHFFFAOYSA-N 0 0 385.558 5.321 50 30 GKEARN C=C(C)Cn1c(SCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002183515 206249714 /nfs/dbraw/zinc/24/97/14/206249714.db2.gz ZSHDMMITQUBTSK-UHFFFAOYSA-N 0 0 392.590 5.168 50 30 GKEARN C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002299959 206249869 /nfs/dbraw/zinc/24/98/69/206249869.db2.gz SKDMEBMYFMNFMB-HNNXBMFYSA-N 0 0 396.581 5.104 50 30 GKEARN C#CCOc1ccc(-c2nnc(Nc3ccc(OC)cc3)c3ccccc32)cc1 ZINC000002375846 206249919 /nfs/dbraw/zinc/24/99/19/206249919.db2.gz IFFQRMIEWZKVCM-UHFFFAOYSA-N 0 0 381.435 5.061 50 30 GKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 ZINC000002319982 206250015 /nfs/dbraw/zinc/25/00/15/206250015.db2.gz MZTBCCDORRMWET-UHFFFAOYSA-N 0 0 382.554 5.303 50 30 GKEARN Cn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 ZINC000008992986 211602467 /nfs/dbraw/zinc/60/24/67/211602467.db2.gz IEZASMWCAHFEIV-WYMPLXKRSA-N 0 0 399.421 5.513 50 30 GKEARN C=C1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@H]12 ZINC000257347970 206286968 /nfs/dbraw/zinc/28/69/68/206286968.db2.gz ACOZANUSWBYJDV-OZMBGUAZSA-N 0 0 388.548 5.059 50 30 GKEARN CC(=O)Oc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000004417996 211546666 /nfs/dbraw/zinc/54/66/66/211546666.db2.gz JUXQSIATLTZRAM-DEOSSOPVSA-N 0 0 399.471 5.478 50 30 GKEARN CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004149557 211534056 /nfs/dbraw/zinc/53/40/56/211534056.db2.gz BHNGKGLYGZDJSD-QFIPXVFZSA-N 0 0 391.555 6.624 50 30 GKEARN CN(CCC#N)C(=O)/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000003238199 211520237 /nfs/dbraw/zinc/52/02/37/211520237.db2.gz OLEWLPJSTLEORX-HKOYGPOVSA-N 0 0 384.454 5.405 50 30 GKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O ZINC000002378087 206291518 /nfs/dbraw/zinc/29/15/18/206291518.db2.gz FOMAMUKDTWRGGS-MOSHPQCFSA-N 0 0 378.468 5.552 50 30 GKEARN O=C1c2ccc(OCc3ccc(Cl)cc3Cl)cc2O/C1=C\c1ccco1 ZINC000002419033 206291541 /nfs/dbraw/zinc/29/15/41/206291541.db2.gz TWXXEUBULMZHGG-GRSHGNNSSA-N 0 0 387.218 5.782 50 30 GKEARN N#CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 ZINC000001915088 206292230 /nfs/dbraw/zinc/29/22/30/206292230.db2.gz OIYRCXLOPHSZGL-UHFFFAOYSA-N 0 0 379.721 5.035 50 30 GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000005164670 206292773 /nfs/dbraw/zinc/29/27/73/206292773.db2.gz XMQMILAIYFEIKP-ODLFYWEKSA-N 0 0 375.251 5.955 50 30 GKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000004428525 206293118 /nfs/dbraw/zinc/29/31/18/206293118.db2.gz RZJSCADWIWNGKI-IXKNJLPQSA-N 0 0 392.539 5.744 50 30 in-vitro GKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000005252965 206293665 /nfs/dbraw/zinc/29/36/65/206293665.db2.gz KLAIBYADEJHNMQ-ODLFYWEKSA-N 0 0 385.257 5.410 50 30 GKEARN O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\c1cccc(F)c1 ZINC000006926922 206294286 /nfs/dbraw/zinc/29/42/86/206294286.db2.gz WZXNRAQFURYCOA-NHDPSOOVSA-N 0 0 380.802 5.674 50 30 GKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C\c2ccccc2C)cc1 ZINC000096035402 206300849 /nfs/dbraw/zinc/30/08/49/206300849.db2.gz GQKYULSUHPIKQW-MSUUIHNZSA-N 0 0 377.487 6.723 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCCC2)c1Cc1ccccc1 ZINC000000628280 206309712 /nfs/dbraw/zinc/30/97/12/206309712.db2.gz UNZBDZRCTXQLED-UHFFFAOYSA-N 0 0 380.495 5.249 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccnc3Cl)sc2C1 ZINC000000657082 206312999 /nfs/dbraw/zinc/31/29/99/206312999.db2.gz HVXFZTJUVZASEW-LBPRGKRZSA-N 0 0 387.936 5.462 50 30 GKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2F)C3)cc1 ZINC000000672627 206315116 /nfs/dbraw/zinc/31/51/16/206315116.db2.gz NELUQOAPNAPINQ-DWXRJYCRSA-N 0 0 398.481 6.114 50 30 GKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000682624 206317125 /nfs/dbraw/zinc/31/71/25/206317125.db2.gz UBDXRYCEMPVNBE-DEOSSOPVSA-N 0 0 389.543 5.755 50 30 biogenic GKEARN N#Cc1c(N)c(C(=O)c2ccc(-c3ccccc3)cc2)sc1Nc1ccccc1 ZINC000000688329 206317211 /nfs/dbraw/zinc/31/72/11/206317211.db2.gz HGNULFKGCATAPQ-UHFFFAOYSA-N 0 0 395.487 5.844 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1cc(F)ccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000000709648 206317504 /nfs/dbraw/zinc/31/75/04/206317504.db2.gz KFMBBZVSPQVZTI-JOCHJYFZSA-N 0 0 382.454 5.804 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1c(F)cccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000000709747 206317577 /nfs/dbraw/zinc/31/75/77/206317577.db2.gz WCWJOZKUQGPSIC-QFIPXVFZSA-N 0 0 382.454 5.804 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000000718059 206318960 /nfs/dbraw/zinc/31/89/60/206318960.db2.gz QPOWVLHAWKZWSG-JLCFBVMHSA-N 0 0 376.481 5.629 50 30 GKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000000809288 206323075 /nfs/dbraw/zinc/32/30/75/206323075.db2.gz UFBJUBPYXAEIBH-RGVLZGJSSA-N 0 0 377.421 5.801 50 30 GKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000815764 206324458 /nfs/dbraw/zinc/32/44/58/206324458.db2.gz GXATZACNKRJXHB-BXKMTCNYSA-N 0 0 386.520 6.036 50 30 GKEARN Cc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc(C)c1O ZINC000000822828 206325358 /nfs/dbraw/zinc/32/53/58/206325358.db2.gz KREDMCGDINHIFH-UNMCSNQZSA-N 0 0 399.490 5.051 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc2c(c1)OCO2 ZINC000000850323 206327211 /nfs/dbraw/zinc/32/72/11/206327211.db2.gz IESKUCFVRMSCNB-XMMPIXPASA-N 0 0 398.462 5.273 50 30 GKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000856563 206328294 /nfs/dbraw/zinc/32/82/94/206328294.db2.gz FOIUGCMBJJWIKV-BVZFJXPGSA-N 0 0 384.454 5.805 50 30 GKEARN COc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000858255 206328615 /nfs/dbraw/zinc/32/86/15/206328615.db2.gz BDFUUMKKIZQVPO-HSZRJFAPSA-N 0 0 399.490 5.755 50 30 GKEARN C=C[C@@H]1Oc2ccc([N+](=O)[O-])cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000000899045 206332248 /nfs/dbraw/zinc/33/22/48/206332248.db2.gz WWCNDPKLTWGVMS-IBGZPJMESA-N 0 0 396.487 5.220 50 30 GKEARN Cc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 ZINC000000947952 206336857 /nfs/dbraw/zinc/33/68/57/206336857.db2.gz VGVBCVZTHFNEMZ-UHFFFAOYSA-N 0 0 391.323 5.422 50 30 GKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3c(Cl)cccc3Cl)sc2C1 ZINC000000995113 206339575 /nfs/dbraw/zinc/33/95/75/206339575.db2.gz ZGOWPPIWTWNJFC-JTQLQIEISA-N 0 0 379.312 5.694 50 30 GKEARN Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C#N)c(C)o1 ZINC000001003137 206340712 /nfs/dbraw/zinc/34/07/12/206340712.db2.gz SULZHJMKOWWENI-UHFFFAOYSA-N 0 0 391.279 6.056 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C)o3)sc2C1 ZINC000000996640 206341062 /nfs/dbraw/zinc/34/10/62/206341062.db2.gz IVPAZHHPOHGJSP-SLZMIMFISA-N 0 0 382.529 5.714 50 30 GKEARN N#Cc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(C#N)cc4)cccc23)cc1 ZINC000001003522 206341107 /nfs/dbraw/zinc/34/11/07/206341107.db2.gz HWEDEYZWDWILRB-YAGSLNJISA-N 0 0 384.442 6.084 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(Cl)cccc1Cl ZINC000000997715 206341275 /nfs/dbraw/zinc/34/12/75/206341275.db2.gz YSZBAYSFEJJUJJ-FQEVSTJZSA-N 0 0 387.310 6.215 50 30 GKEARN Cn1c2ccccc2c2c1CCC/C2=N\OC(=O)c1cccc(C(F)(F)F)c1 ZINC000001036892 206344601 /nfs/dbraw/zinc/34/46/01/206344601.db2.gz CNWVLXKFDCJDJG-PCLIKHOPSA-N 0 0 386.373 5.095 50 30 GKEARN Cn1nc(C(F)(F)F)c(-c2ccccc2)c1/N=C/c1cccc(C(F)(F)F)c1 ZINC000001043813 206345410 /nfs/dbraw/zinc/34/54/10/206345410.db2.gz YUBLTTFEGWMCKV-KBKYJPHKSA-N 0 0 397.322 5.875 50 30 GKEARN CCOC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000001085927 206350497 /nfs/dbraw/zinc/35/04/97/206350497.db2.gz RSWBPIZCEFOQQM-UHFFFAOYSA-N 0 0 386.523 5.065 50 30 GKEARN Cc1ccccc1[C@@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 ZINC000001079916 206351114 /nfs/dbraw/zinc/35/11/14/206351114.db2.gz WGVRRRLPPOKTEQ-SFHVURJKSA-N 0 0 399.412 5.541 50 30 GKEARN C[C@H]1Nc2nc3ccccc3n2C(c2cccc(F)c2)=C1C(=O)c1ccccc1 ZINC000001080230 206351144 /nfs/dbraw/zinc/35/11/44/206351144.db2.gz SJMHENUYUCPNCC-OAHLLOKOSA-N 0 0 383.426 5.132 50 30 biogenic,in-vitro GKEARN CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001083717 206351229 /nfs/dbraw/zinc/35/12/29/206351229.db2.gz IEEHXXVKVCFQMS-UHFFFAOYSA-N 0 0 393.527 5.153 50 30 GKEARN N#Cc1ccc(-c2csc(NC(=O)CCCSc3ccccc3)n2)cc1 ZINC000010217806 206374433 /nfs/dbraw/zinc/37/44/33/206374433.db2.gz HJOFXZCYXDAPGG-UHFFFAOYSA-N 0 0 379.510 5.193 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001392493 206377724 /nfs/dbraw/zinc/37/77/24/206377724.db2.gz LFGXZBMLHOHGOR-XMMPIXPASA-N 0 0 389.543 5.591 50 30 GKEARN O=C1c2ccccc2[C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000001408924 206378813 /nfs/dbraw/zinc/37/88/13/206378813.db2.gz UGOMBOCOCASTDK-QKFKETGDSA-N 0 0 398.487 5.276 50 30 GKEARN C/C(=N\OC(=O)c1cccs1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000001406833 206379130 /nfs/dbraw/zinc/37/91/30/206379130.db2.gz OQPMWFNNNOCVSO-RGVLZGJSSA-N 0 0 376.890 5.414 50 30 GKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccnc1)c1c(ccc3ccccc31)N2 ZINC000001421743 206380201 /nfs/dbraw/zinc/38/02/01/206380201.db2.gz SLRCJGGZKDHCRA-MHECFPHRSA-N 0 0 392.458 5.786 50 30 GKEARN Cc1cc(N2CCC(Cc3ccccc3)CC2)n2c3ccccc3nc2c1C#N ZINC000001472956 206384312 /nfs/dbraw/zinc/38/43/12/206384312.db2.gz RTEQVSKCAATGJK-UHFFFAOYSA-N 0 0 380.495 5.127 50 30 GKEARN N#Cc1ccccc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 ZINC000001136922 206358864 /nfs/dbraw/zinc/35/88/64/206358864.db2.gz QBOLASORVWGADA-UHFFFAOYSA-N 0 0 397.261 5.696 50 30 aggregator GKEARN Cc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001213371 206367796 /nfs/dbraw/zinc/36/77/96/206367796.db2.gz MEEGYDZEVKBMFF-QFIPXVFZSA-N 0 0 393.527 5.085 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1nc3ccccc3[nH]1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001262663 206371056 /nfs/dbraw/zinc/37/10/56/206371056.db2.gz UEGLTOVELSCWHO-QFIPXVFZSA-N 0 0 386.499 5.402 50 30 GKEARN Fc1ccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000001879437 206393154 /nfs/dbraw/zinc/39/31/54/206393154.db2.gz IFHLYRHAVRNCRR-NUPZDWQCSA-N 0 0 386.382 5.778 50 30 GKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000002071790 206396866 /nfs/dbraw/zinc/39/68/66/206396866.db2.gz ROLAQEIIIWESEF-NAHLOZMDSA-N 0 0 397.434 6.436 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000002055893 206397550 /nfs/dbraw/zinc/39/75/50/206397550.db2.gz VYZASUVXCDEQFB-VULFUBBASA-N 0 0 398.849 6.758 50 30 GKEARN CCCCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 ZINC000002233839 206402980 /nfs/dbraw/zinc/40/29/80/206402980.db2.gz IURRZBKLOZHEIR-MRXNPFEDSA-N 0 0 396.535 5.340 50 30 GKEARN N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000002227273 206403578 /nfs/dbraw/zinc/40/35/78/206403578.db2.gz RSYZLMPWOBINTJ-UHFFFAOYSA-N 0 0 390.273 6.589 50 30 GKEARN CC(C)c1ccc(C[C@@H](C)C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000002299253 206406730 /nfs/dbraw/zinc/40/67/30/206406730.db2.gz TZUMUGLNHNZAKZ-MRXNPFEDSA-N 0 0 378.512 5.649 50 30 GKEARN Cc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(C)c(C)c1C ZINC000002444916 206417430 /nfs/dbraw/zinc/41/74/30/206417430.db2.gz DQTHXMFGUFCFDV-SANMLTNESA-N 0 0 397.543 6.787 50 30 GKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C=Cc3ccccc3)sc2C1 ZINC000002737045 206432472 /nfs/dbraw/zinc/43/24/72/206432472.db2.gz JHGZZOIPVDZGLB-RTGRKSDTSA-N 0 0 378.541 6.462 50 30 GKEARN CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 ZINC000002767713 206433244 /nfs/dbraw/zinc/43/32/44/206433244.db2.gz OLHPPXIHARVAJV-UHFFFAOYSA-N 0 0 390.961 5.906 50 30 GKEARN Clc1ccc(/C=C/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 ZINC000002756817 206433495 /nfs/dbraw/zinc/43/34/95/206433495.db2.gz XIMDVYJOEZPUNX-MLZQUUFASA-N 0 0 393.273 7.217 50 30 GKEARN O=C(Nc1ccccc1)ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002897948 206444520 /nfs/dbraw/zinc/44/45/20/206444520.db2.gz ASBUPUNOTILGCM-UHFFFAOYSA-N 0 0 385.250 5.995 50 30 GKEARN O=C1C(Br)=Cc2ccccc2C1=C(c1ccccc1)c1ccccc1 ZINC000001782858 211512171 /nfs/dbraw/zinc/51/21/71/211512171.db2.gz CNUKXRLSVRRVOE-UHFFFAOYSA-N 0 0 387.276 5.964 50 30 GKEARN Fc1ccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000003041526 206454655 /nfs/dbraw/zinc/45/46/55/206454655.db2.gz LROYSHLQXUBFSF-UHFFFAOYSA-N 0 0 376.231 5.599 50 30 GKEARN COc1ccc([C@H](c2ccc(Cl)cc2)[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000003086246 206457073 /nfs/dbraw/zinc/45/70/73/206457073.db2.gz SPFDCCGTBRZWAV-VXKWHMMOSA-N 0 0 382.290 6.441 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1C(F)(F)F ZINC000004004706 206498424 /nfs/dbraw/zinc/49/84/24/206498424.db2.gz GUOBSFMECVXLAJ-FQEVSTJZSA-N 0 0 386.417 5.927 50 30 GKEARN COC(=O)c1ccccc1Sc1nccc(-c2ccc(Cl)cc2)c1C#N ZINC000004053729 206500325 /nfs/dbraw/zinc/50/03/25/206500325.db2.gz VRAMBWZLTKQABU-UHFFFAOYSA-N 0 0 380.856 5.211 50 30 GKEARN COc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000004183560 206505763 /nfs/dbraw/zinc/50/57/63/206505763.db2.gz MPFMFIJZPXWBDT-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN CCCOc1ccc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc1 ZINC000004185066 206507145 /nfs/dbraw/zinc/50/71/45/206507145.db2.gz ZEKUWMZXYJAQIG-DEOSSOPVSA-N 0 0 398.506 5.897 50 30 GKEARN Cc1cccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)c1 ZINC000004355004 206517527 /nfs/dbraw/zinc/51/75/27/206517527.db2.gz IQOFCMFCSMIQBQ-UHFFFAOYSA-N 0 0 382.492 5.407 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccccc1Cl ZINC000001113165 211502392 /nfs/dbraw/zinc/50/23/92/211502392.db2.gz BOGBMQWABCZHNE-HSZRJFAPSA-N 0 0 388.898 6.198 50 30 GKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccccc2Cl)C1=O ZINC000004706866 206544965 /nfs/dbraw/zinc/54/49/65/206544965.db2.gz KDEIMPKAVBZYJD-ATVHPVEESA-N 0 0 399.899 5.192 50 30 GKEARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004913970 206570758 /nfs/dbraw/zinc/57/07/58/206570758.db2.gz YXUCIVWFSUIMOF-RYUDHWBXSA-N 0 0 392.307 5.059 50 30 GKEARN O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000004741585 206550969 /nfs/dbraw/zinc/55/09/69/206550969.db2.gz FUIDCKQORIUWKU-MWTRTKDXSA-N 0 0 397.503 5.514 50 30 GKEARN O=C(/C=C/c1ccc(Br)cc1)c1c2ccccc2cc2ccccc21 ZINC000004763058 206553559 /nfs/dbraw/zinc/55/35/59/206553559.db2.gz IYUWZQNGPRTZQW-SDNWHVSQSA-N 0 0 387.276 6.652 50 30 GKEARN C(=N/c1ccccc1)\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000004833710 206560445 /nfs/dbraw/zinc/56/04/45/206560445.db2.gz OAOOPVVUGNIGJP-WPWMEQJKSA-N 0 0 381.523 6.091 50 30 GKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973574 206578499 /nfs/dbraw/zinc/57/84/99/206578499.db2.gz OWVQFWZYKUIPPK-MZNJEOGPSA-N 0 0 385.442 5.200 50 30 GKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1 ZINC000005186562 206598280 /nfs/dbraw/zinc/59/82/80/206598280.db2.gz KOSGDGNVXYLYHP-PXNMLYILSA-N 0 0 377.296 5.502 50 30 GKEARN Clc1ccc(-c2csc3ncnc(N=NCc4ccccc4Cl)c23)cc1 ZINC000005897846 206632125 /nfs/dbraw/zinc/63/21/25/206632125.db2.gz BFNOEOFLTYMFJD-PGGKNCGUSA-N 0 0 399.306 6.111 50 30 GKEARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100931431 211393556 /nfs/dbraw/zinc/39/35/56/211393556.db2.gz YYKHDPRJTTZFJF-CFRMEGHHSA-N 0 0 380.366 5.010 50 30 GKEARN CO/N=C/C(=CNc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100334396 211387217 /nfs/dbraw/zinc/38/72/17/211387217.db2.gz VFNLPRLPMYKEEU-HVZUOJBUSA-N 0 0 390.192 5.492 50 30 GKEARN C[C@@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc21)c1ccccc1 ZINC000100001949 211381700 /nfs/dbraw/zinc/38/17/00/211381700.db2.gz UXJFDYIHRJGPFS-OVKKOYPGSA-N 0 0 394.474 5.787 50 30 in-vivo GKEARN C=CCOc1cc(Br)c(C=NNc2ccc(Cl)cc2)cc1OC ZINC000006490528 206653094 /nfs/dbraw/zinc/65/30/94/206653094.db2.gz FFENWHXGHMFQJE-RGVLZGJSSA-N 0 0 395.684 5.122 50 30 GKEARN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1=Cc1ccc(Cl)cc1 ZINC000006584103 206655545 /nfs/dbraw/zinc/65/55/45/206655545.db2.gz RZBWUHMYWSEBLV-NVMNQCDNSA-N 0 0 386.904 6.005 50 30 GKEARN CO[C@H](C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 ZINC000072311042 211088121 /nfs/dbraw/zinc/08/81/21/211088121.db2.gz QPZZLEOVUBXRFR-MRXNPFEDSA-N 0 0 395.503 5.064 50 30 GKEARN CC(C)c1ccc([C@@H](C=C2C(=O)c3ccccc3C2=O)CC(=O)C(C)(C)C)cc1 ZINC000003121752 211029224 /nfs/dbraw/zinc/02/92/24/211029224.db2.gz CCFPAZSTQSJWBW-IBGZPJMESA-N 0 0 388.507 5.905 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(NCCc3ccc(OC)cc3)o2)CC1 ZINC000008867548 206766240 /nfs/dbraw/zinc/76/62/40/206766240.db2.gz GGRAERJJCBUEQN-UHFFFAOYSA-N 0 0 381.520 5.673 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)cc1 ZINC000008844504 206766258 /nfs/dbraw/zinc/76/62/58/206766258.db2.gz BGYDDBRXMSLJRT-QGZVFWFLSA-N 0 0 399.450 5.867 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2c(Cl)cccc2Cl)n1 ZINC000009344202 206783835 /nfs/dbraw/zinc/78/38/35/206783835.db2.gz VALCYXLMAJVXND-UHFFFAOYSA-N 0 0 377.218 5.880 50 30 GKEARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3C)oc2c(C)c1 ZINC000009190328 206777608 /nfs/dbraw/zinc/77/76/08/206777608.db2.gz OIAOVXGDYLWYHW-UHFFFAOYSA-N 0 0 399.425 5.683 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003170830 210921993 /nfs/dbraw/zinc/92/19/93/210921993.db2.gz OUIUPLXQCRHFOV-UHFFFAOYSA-N 0 0 396.840 6.449 50 30 GKEARN CCCCC#C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccccc1 ZINC000003049341 207019760 /nfs/dbraw/zinc/01/97/60/207019760.db2.gz CUQCGQUDGRTVKQ-HXUWFJFHSA-N 0 0 376.525 5.465 50 30 GKEARN COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)c(OC)cc1Cl ZINC000014632787 207025557 /nfs/dbraw/zinc/02/55/57/207025557.db2.gz ZCSIGFUOGFPVOY-UHFFFAOYSA-N 0 0 392.842 5.148 50 30 GKEARN CCCN1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000015938420 207067753 /nfs/dbraw/zinc/06/77/53/207067753.db2.gz YIBFHQFINCNEHO-MGYAYREDSA-N 0 0 386.322 5.755 50 30 GKEARN COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1 ZINC000015985559 207068799 /nfs/dbraw/zinc/06/87/99/207068799.db2.gz MWIJMKYOROBDTE-PCLIKHOPSA-N 0 0 398.418 5.320 50 30 GKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(F)cc(F)c1 ZINC000018172867 207093843 /nfs/dbraw/zinc/09/38/43/207093843.db2.gz FJWVRMSGWBVEOK-JOCHJYFZSA-N 0 0 396.437 5.128 50 30 GKEARN CCOC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000020365485 207189858 /nfs/dbraw/zinc/18/98/58/207189858.db2.gz HIGBUXSZZMRTLR-UHFFFAOYSA-N 0 0 391.858 5.062 50 30 GKEARN N#Cc1cccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)c1 ZINC000023327993 207273613 /nfs/dbraw/zinc/27/36/13/207273613.db2.gz FLLDQCPEHQNQAZ-QFIPXVFZSA-N 0 0 387.870 5.391 50 30 GKEARN N#Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCC2CCCC2)cc1 ZINC000023314333 207273708 /nfs/dbraw/zinc/27/37/08/207273708.db2.gz DFRZRRJLKPUMDP-UHFFFAOYSA-N 0 0 384.483 5.320 50 30 GKEARN CCc1ccc(-n2nc(C)c3c2nc(OCc2cccc(C#N)c2)cc3C)cc1 ZINC000045995639 207668388 /nfs/dbraw/zinc/66/83/88/207668388.db2.gz FJSJKSQJBZYMJV-UHFFFAOYSA-N 0 0 382.467 5.050 50 30 GKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000064624386 207806512 /nfs/dbraw/zinc/80/65/12/207806512.db2.gz LGUZHRODIJCVOC-UHFFFAOYSA-N 0 0 388.045 5.288 50 30 in-vitro GKEARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000084028604 208086545 /nfs/dbraw/zinc/08/65/45/208086545.db2.gz SZEKFSSBDQATKI-UHFFFAOYSA-N 0 0 393.487 5.527 50 30 GKEARN CC1(C)CC(=O)C(C(C#Cc2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000084415970 208091790 /nfs/dbraw/zinc/09/17/90/208091790.db2.gz QXCQIANZEOKUIY-UHFFFAOYSA-N 0 0 392.495 5.057 50 30 GKEARN CCCCCCCCN1c2ccc(C)cc2Oc2ccc([N+](=O)[O-])cc2C1=O ZINC000100939322 208382398 /nfs/dbraw/zinc/38/23/98/208382398.db2.gz XCNHAGGXBIKEMX-UHFFFAOYSA-N 0 0 382.460 6.016 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@@H]2c1ccc2c(c1)OCO2 ZINC000000793767 208480331 /nfs/dbraw/zinc/48/03/31/208480331.db2.gz BTGXDGANSHWTGI-RUZDIDTESA-N 0 0 397.474 5.878 50 30 GKEARN O=C1/C(=C/c2cccs2)CN(Cc2ccccc2)C/C1=C\c1cccs1 ZINC000020432552 210333686 /nfs/dbraw/zinc/33/36/86/210333686.db2.gz VEWNBLZJGWFBIR-KLCVKJMQSA-N 0 0 377.534 5.362 50 30 GKEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000002741458 209380533 /nfs/dbraw/zinc/38/05/33/209380533.db2.gz OGRSJHHXFXCVKH-AWEZNQCLSA-N 0 0 398.528 5.040 50 30 GKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1Cl ZINC000019820661 210300341 /nfs/dbraw/zinc/30/03/41/210300341.db2.gz HAUOHCRRWKQYDS-UHFFFAOYSA-N 0 0 396.903 5.451 50 30 GKEARN N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC000019824184 210299634 /nfs/dbraw/zinc/29/96/34/210299634.db2.gz KRTLQUXMEDNZOM-UHFFFAOYSA-N 0 0 392.871 5.345 50 30 GKEARN CSc1nc(Nc2ccc(F)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820472 210299453 /nfs/dbraw/zinc/29/94/53/210299453.db2.gz GTSGOSBODDKPNR-UHFFFAOYSA-N 0 0 392.503 5.917 50 30 GKEARN COc1ccc(CN(Cc2ccco2)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000170623743 208755639 /nfs/dbraw/zinc/75/56/39/208755639.db2.gz YASSGXIJEOWBOL-UHFFFAOYSA-N 0 0 399.450 5.330 50 30 GKEARN C=CCOc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(C)=O ZINC000038795638 208814029 /nfs/dbraw/zinc/81/40/29/208814029.db2.gz GYXNFMMKGFHBNA-UHFFFAOYSA-N 0 0 384.273 5.469 50 30 GKEARN C=C(Br)Cn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000001473080 220499051 /nfs/dbraw/zinc/49/90/51/220499051.db2.gz BVCWPJMOPPTQPA-UHFFFAOYSA-N 0 0 392.094 5.374 50 30 GKEARN CC[C@H](C)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002202845 220509401 /nfs/dbraw/zinc/50/94/01/220509401.db2.gz HOVPQAQUNRCPIN-QMTYFTJSSA-N 0 0 397.543 7.067 50 30 GKEARN N#Cc1c2c(sc1Nc1nc3ccccc3nc1N1CCCCC1)CCCC2 ZINC000002284937 220517088 /nfs/dbraw/zinc/51/70/88/220517088.db2.gz WIICGQYOIZLZLF-UHFFFAOYSA-N 0 0 389.528 5.176 50 30 GKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)OC(C)(C)C)nc3c2CCCC3)cc1 ZINC000002479568 220538702 /nfs/dbraw/zinc/53/87/02/220538702.db2.gz LXDSQDKGAXQJOL-UHFFFAOYSA-N 0 0 394.540 5.241 50 30 GKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl ZINC000002489841 220538904 /nfs/dbraw/zinc/53/89/04/220538904.db2.gz WTXCEAGILAIDFE-SSDVNMTOSA-N 0 0 378.775 5.202 50 30 GKEARN COc1ccc(NC(=S)N/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000002506485 220540967 /nfs/dbraw/zinc/54/09/67/220540967.db2.gz AVEARHIJWCUECU-BUVRLJJBSA-N 0 0 385.492 5.322 50 30 GKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000002737285 220558320 /nfs/dbraw/zinc/55/83/20/220558320.db2.gz UBTJBDOUPQROSP-SNVBAGLBSA-N 0 0 379.312 5.694 50 30 GKEARN COc1ccc(Sc2ccc(NC(=O)c3c(F)cccc3F)cc2C#N)cc1 ZINC000003104536 220603455 /nfs/dbraw/zinc/60/34/55/220603455.db2.gz VNOIIPJSPJPWEC-UHFFFAOYSA-N 0 0 396.418 5.249 50 30 GKEARN CCOC(=O)c1c(Cl)c(C(C)(C)C)nc(Sc2ccc(C)cc2)c1C#N ZINC000003126901 220604438 /nfs/dbraw/zinc/60/44/38/220604438.db2.gz NQJWBZQVMZSARI-UHFFFAOYSA-N 0 0 388.920 5.541 50 30 GKEARN Cc1ccccc1/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000003168204 220607362 /nfs/dbraw/zinc/60/73/62/220607362.db2.gz ZMZFTDULCBLNEN-JVWAILMASA-N 0 0 399.877 6.771 50 30 GKEARN O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000003668134 220665587 /nfs/dbraw/zinc/66/55/87/220665587.db2.gz QHCZRSGURVBKRT-RCDGQAJGSA-N 0 0 388.536 6.180 50 30 GKEARN Cc1cc(C)c(C(=O)C(=Cc2cccc3ccccc23)c2ccccc2)c(=O)[nH]1 ZINC000004009874 220670463 /nfs/dbraw/zinc/67/04/63/220670463.db2.gz CKQGWRAZXIRYKQ-XQNSMLJCSA-N 0 0 379.459 5.568 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCCO3 ZINC000004794439 220766860 /nfs/dbraw/zinc/76/68/60/220766860.db2.gz OXGCLZMVATZCFX-OAQYLSRUSA-N 0 0 395.886 5.312 50 30 GKEARN COc1ccc2c(c1)CC/C(=C\c1cn(-c3ccccc3)nc1CC(C)C)C2=O ZINC000004826307 220770149 /nfs/dbraw/zinc/77/01/49/220770149.db2.gz LTJGVMZQNISWHM-XMHGGMMESA-N 0 0 386.495 5.292 50 30 GKEARN CC(C)Oc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3O)n2)cc1 ZINC000005024438 220812592 /nfs/dbraw/zinc/81/25/92/220812592.db2.gz BWUCXQGQBJXGPT-MFKUBSTISA-N 0 0 398.466 5.236 50 30 GKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)c1 ZINC000004973589 220802796 /nfs/dbraw/zinc/80/27/96/220802796.db2.gz QDEHNHMNTGVEFI-AVRWGWEMSA-N 0 0 397.478 5.070 50 30 GKEARN COc1ccccc1[C@H]1c2c(ccc3ccccc32)NC2=C1C(=O)CC(C)(C)C2 ZINC000005049971 220819336 /nfs/dbraw/zinc/81/93/36/220819336.db2.gz IEQNQPUYIFTLSM-DEOSSOPVSA-N 0 0 383.491 6.049 50 30 GKEARN CC(C)c1cc(Nc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000005051374 220820799 /nfs/dbraw/zinc/82/07/99/220820799.db2.gz CFSMNSJMOLODHD-UHFFFAOYSA-N 0 0 395.293 6.533 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1c[nH]c2ccccc21 ZINC000005190762 220841097 /nfs/dbraw/zinc/84/10/97/220841097.db2.gz IEDJALRKDYLWIL-JOCHJYFZSA-N 0 0 391.902 6.043 50 30 GKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccc(Cl)cc1 ZINC000005457448 220873186 /nfs/dbraw/zinc/87/31/86/220873186.db2.gz NKFVYSYLHARJCL-DHRITJCHSA-N 0 0 387.874 5.329 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccccc4)c3c2C1 ZINC000005501474 220877307 /nfs/dbraw/zinc/87/73/07/220877307.db2.gz UCSLVCYNLWZZAT-AEIQVQRHSA-N 0 0 392.572 6.069 50 30 GKEARN C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000006303378 220927115 /nfs/dbraw/zinc/92/71/15/220927115.db2.gz ANERESFBEAIJBN-OTDCCMHMSA-N 0 0 391.471 5.322 50 30 GKEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006515322 220938760 /nfs/dbraw/zinc/93/87/60/220938760.db2.gz YXTYRIDORJVFJF-UHFFFAOYSA-N 0 0 391.854 5.642 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCC ZINC000006920430 220978551 /nfs/dbraw/zinc/97/85/51/220978551.db2.gz BJQWYEJQWHSSCJ-UHFFFAOYSA-N 0 0 380.745 10.779 50 30 biogenic,in-vitro GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007736802 221008654 /nfs/dbraw/zinc/00/86/54/221008654.db2.gz JXTYTMJWODWPKZ-OAQYLSRUSA-N 0 0 384.504 5.517 50 30 GKEARN N#Cc1ccccc1-c1ccccc1C(=O)NCCCn1ccc2ccccc21 ZINC000008190315 221030256 /nfs/dbraw/zinc/03/02/56/221030256.db2.gz ZHBOKVJYSKMPNP-UHFFFAOYSA-N 0 0 379.463 5.000 50 30 GKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)C(=Cc3ccc(Cl)cc3)S1)C2 ZINC000008968547 221065831 /nfs/dbraw/zinc/06/58/31/221065831.db2.gz PYCCCDOXZRYTIF-CKLBMXLLSA-N 0 0 387.936 5.942 50 30 GKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(Cl)cc1 ZINC000008990397 221066993 /nfs/dbraw/zinc/06/69/93/221066993.db2.gz GCPBWELYZBFXPO-MOURARDWSA-N 0 0 388.850 6.048 50 30 GKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C1 ZINC000012617509 221215291 /nfs/dbraw/zinc/21/52/91/221215291.db2.gz BUZNDDFEFGDSGA-GFCCVEGCSA-N 0 0 388.920 5.194 50 30 GKEARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 ZINC000012651255 221217137 /nfs/dbraw/zinc/21/71/37/221217137.db2.gz ZREIWXREXCATQW-UHFFFAOYSA-N 0 0 399.425 5.881 50 30 GKEARN Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000013116528 221262026 /nfs/dbraw/zinc/26/20/26/221262026.db2.gz BIKSSCIMZPXPMW-ZVHZXABRSA-N 0 0 391.858 5.148 50 30 GKEARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1/N=C/c1ccc(Cl)cc1 ZINC000013940640 221293656 /nfs/dbraw/zinc/29/36/56/221293656.db2.gz WDEDNBRHAZYXPU-ZMSCOZPXSA-N 0 0 393.320 5.229 50 30 GKEARN N#Cc1c(Sc2nccc3ccccc32)nc(-c2cccs2)c2c1CCCC2 ZINC000016545108 221365103 /nfs/dbraw/zinc/36/51/03/221365103.db2.gz IKBBPCNTVXIGIT-UHFFFAOYSA-N 0 0 399.544 6.260 50 30 GKEARN CN(C)c1ccc(N=C2N=C(Nc3ccccc3)C(=Nc3ccccc3)S2)cc1 ZINC000017252211 221382506 /nfs/dbraw/zinc/38/25/06/221382506.db2.gz ZVDZXGJOEJSOLX-LVWGJNHUSA-N 0 0 399.523 5.728 50 30 GKEARN N#Cc1c(NC(=O)c2cc3ccc4ccccc4c3oc2=N)sc2c1CCCC2 ZINC000017081706 221379217 /nfs/dbraw/zinc/37/92/17/221379217.db2.gz PFBAZPABNGKQHO-UHFFFAOYSA-N 0 0 399.475 5.130 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000018190063 221388867 /nfs/dbraw/zinc/38/88/67/221388867.db2.gz RMBGQJMJDUUVDJ-QFIPXVFZSA-N 0 0 380.919 6.179 50 30 GKEARN Cc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc(C)c1O ZINC000018180095 221389008 /nfs/dbraw/zinc/38/90/08/221389008.db2.gz KREDMCGDINHIFH-RBBKRZOGSA-N 0 0 399.490 5.051 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1Cl)OCO3 ZINC000018197443 221389933 /nfs/dbraw/zinc/38/99/33/221389933.db2.gz YRDQARMEHRPBIX-FQEVSTJZSA-N 0 0 381.859 5.269 50 30 GKEARN CC(C)c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000018197523 221390400 /nfs/dbraw/zinc/39/04/00/221390400.db2.gz TWBGMXNEADDIOW-QHCPKHFHSA-N 0 0 389.495 5.739 50 30 GKEARN Cc1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000020806615 136202998 /nfs/dbraw/zinc/20/29/98/136202998.db2.gz JZSYXRKPEAIDSI-UHFFFAOYSA-N 0 0 389.505 5.183 50 30 GKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@@]21C ZINC000257349468 209080122 /nfs/dbraw/zinc/08/01/22/209080122.db2.gz OJFSRAVBTAGBIM-OZXJBWNJSA-N 0 0 386.664 7.629 50 30 GKEARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2ccccc2C#N)n1 ZINC000037509980 221871614 /nfs/dbraw/zinc/87/16/14/221871614.db2.gz WKCPWQLLFYSJBN-UHFFFAOYSA-N 0 0 395.915 5.957 50 30 GKEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000058773065 222056431 /nfs/dbraw/zinc/05/64/31/222056431.db2.gz RKINWGFJTVSTPY-UHFFFAOYSA-N 0 0 398.249 5.613 50 30 GKEARN COc1ccc(C(=O)c2coc3ccc(OCc4ccc(C#N)cc4)cc32)cc1 ZINC000096184079 222397132 /nfs/dbraw/zinc/39/71/32/222397132.db2.gz FBXBAZRNVUTSHU-UHFFFAOYSA-N 0 0 383.403 5.123 50 30 GKEARN O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1)c1cc2ccccc2o1 ZINC000095482059 534323521 /nfs/dbraw/zinc/32/35/21/534323521.db2.gz FVZPYKSXMAYDPZ-ZMOGYAJESA-N 0 0 390.826 5.795 50 30 GKEARN Brc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)cc1 ZINC000054201900 518207234 /nfs/dbraw/zinc/20/72/34/518207234.db2.gz NQPOYLYLUNYCKK-FBHDLOMBSA-N 0 0 397.301 5.500 50 30 GKEARN Brc1ccc(N=CC=CNc2ccc(Br)cc2)cc1 ZINC000100470221 518209527 /nfs/dbraw/zinc/20/95/27/518209527.db2.gz GYJFZOJMRGIYGJ-PBDUKYKTSA-N 0 0 380.083 5.540 50 30 GKEARN C(=N/c1ccc(Nc2ccccc2)cc1)\c1cccc(OCc2ccccc2)c1 ZINC000002821168 518377913 /nfs/dbraw/zinc/37/79/13/518377913.db2.gz NRGHMFZNYSUKNE-ZXVVBBHZSA-N 0 0 378.475 6.760 50 30 GKEARN C/C(=N/OCc1ccccc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843432 518456949 /nfs/dbraw/zinc/45/69/49/518456949.db2.gz XBECVIDQYRXGTH-USHMODERSA-N 0 0 398.481 6.533 50 30 GKEARN C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)c(Cl)c1 ZINC000019835467 518460148 /nfs/dbraw/zinc/46/01/48/518460148.db2.gz OUBIELZXZQQUJV-OEAKJJBVSA-N 0 0 396.749 5.189 50 30 GKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000004826071 518466739 /nfs/dbraw/zinc/46/67/39/518466739.db2.gz DFYNJFXCKNPATB-JVWAILMASA-N 0 0 386.886 6.095 50 30 GKEARN CC(C)(C#N)c1ccc(Nc2c(N)cnc3ccc(Br)cc32)cc1 ZINC000033359413 518506913 /nfs/dbraw/zinc/50/69/13/518506913.db2.gz FVQNIUZKXMCFME-UHFFFAOYSA-N 0 0 381.277 5.124 50 30 GKEARN C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000005544600 518547480 /nfs/dbraw/zinc/54/74/80/518547480.db2.gz ANJVKMCXPATZIP-KNLQTVQXSA-N 0 0 395.458 6.472 50 30 GKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2cccc(OC)c2OC)C(C)C)o1 ZINC000036202358 518587240 /nfs/dbraw/zinc/58/72/40/518587240.db2.gz ZRQHYHVJBRNGMM-UHFFFAOYSA-N 0 0 399.531 5.047 50 30 GKEARN C=C(C)Cn1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sccc21 ZINC000037525710 518639014 /nfs/dbraw/zinc/63/90/14/518639014.db2.gz AEXVTSYWXWPCAO-UHFFFAOYSA-N 0 0 378.419 5.228 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccco2)c1 ZINC000057450922 518646543 /nfs/dbraw/zinc/64/65/43/518646543.db2.gz YVEMOVATEJFKPQ-KNQAVFIVSA-N 0 0 380.532 5.649 50 30 GKEARN C=C(Cl)COc1cccc(CN(C(=O)c2ccccc2F)C2CCCC2)c1 ZINC000014879262 518651398 /nfs/dbraw/zinc/65/13/98/518651398.db2.gz QZUQARGAOLLUSO-UHFFFAOYSA-N 0 0 387.882 5.542 50 30 GKEARN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]12 ZINC000248260200 518665393 /nfs/dbraw/zinc/66/53/93/518665393.db2.gz MECHNRXZTMCUDQ-PDTZBGHHSA-N 0 0 396.659 7.641 50 30 GKEARN C=CCC(O)(CC=C)c1ccc(CN(Cc2ccco2)Cc2ccccc2F)o1 ZINC000036167875 518688569 /nfs/dbraw/zinc/68/85/69/518688569.db2.gz AFWLSSHYXZGRGU-UHFFFAOYSA-N 0 0 395.474 5.554 50 30 GKEARN C=CCCC(O)(CCC=C)c1ccc(CN(CCOC)Cc2ccsc2)o1 ZINC000036202696 518696142 /nfs/dbraw/zinc/69/61/42/518696142.db2.gz CJBLIZHKBLEJDJ-UHFFFAOYSA-N 0 0 389.561 5.110 50 30 GKEARN C=CCN(C(=O)c1ccc(OC)cc1)c1nc(-c2c[nH]c3ccccc32)cs1 ZINC000066409962 518738601 /nfs/dbraw/zinc/73/86/01/518738601.db2.gz CTJROEYUXAXOOH-UHFFFAOYSA-N 0 0 389.480 5.133 50 30 GKEARN C=CCN(C[C@H](O)CN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000002083432 518776806 /nfs/dbraw/zinc/77/68/06/518776806.db2.gz BALXTILGWDXKMW-FQEVSTJZSA-N 0 0 388.536 5.343 50 30 biogenic GKEARN C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000009517072 518790578 /nfs/dbraw/zinc/79/05/78/518790578.db2.gz URWVNRKGMYMIBZ-QFIPXVFZSA-N 0 0 392.524 5.244 50 30 GKEARN C=CCN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)SC1=S ZINC000100483438 518830855 /nfs/dbraw/zinc/83/08/55/518830855.db2.gz RAHKICODFUWOPE-MSYUKONTSA-N 0 0 381.482 5.195 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccccc1 ZINC000100062344 518831987 /nfs/dbraw/zinc/83/19/87/518831987.db2.gz SFDHKRYXZNIMQG-ZFAMVZCKSA-N 0 0 399.313 5.239 50 30 GKEARN C=CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OC ZINC000002838439 519004636 /nfs/dbraw/zinc/00/46/36/519004636.db2.gz BXSFXTAEWXSEBC-UHFFFAOYSA-N 0 0 396.712 5.596 50 30 GKEARN C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000046075863 519005442 /nfs/dbraw/zinc/00/54/42/519005442.db2.gz KCVJWJCJSMOGEY-QGZVFWFLSA-N 0 0 391.492 5.463 50 30 GKEARN CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2-c2ccc(Cl)cc2)cc1 ZINC000012621308 519010305 /nfs/dbraw/zinc/01/03/05/519010305.db2.gz OTOLABDGPNNPCB-UHFFFAOYSA-N 0 0 396.947 5.891 50 30 GKEARN C=CCOc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000004808928 519010970 /nfs/dbraw/zinc/01/09/70/519010970.db2.gz UVASKESEGAJDKK-OQKWZONESA-N 0 0 395.458 6.125 50 30 GKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 ZINC000005496756 519023454 /nfs/dbraw/zinc/02/34/54/519023454.db2.gz RFOBUZLENBVGDE-WGOQTCKBSA-N 0 0 391.898 6.607 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 ZINC000028291374 519024986 /nfs/dbraw/zinc/02/49/86/519024986.db2.gz BHEBXBQJPJGJNT-UHFFFAOYSA-N 0 0 396.849 5.286 50 30 GKEARN C=CCOc1ccc(C(=O)Nc2ccc(OCCCC)c3ncccc23)cc1 ZINC000028293282 519029063 /nfs/dbraw/zinc/02/90/63/519029063.db2.gz FAGOLKXYPSEFDC-UHFFFAOYSA-N 0 0 376.456 5.231 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OC ZINC000046075888 519043256 /nfs/dbraw/zinc/04/32/56/519043256.db2.gz LPHYAIZHJSKPJU-KRWDZBQOSA-N 0 0 391.492 5.463 50 30 GKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1 ZINC000046077066 519044210 /nfs/dbraw/zinc/04/42/10/519044210.db2.gz OOKPRPASYAMUSI-SFHVURJKSA-N 0 0 379.456 5.593 50 30 GKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000102684378 519045841 /nfs/dbraw/zinc/04/58/41/519045841.db2.gz RMEPKQWWVDQZPC-AHWVRZQESA-N 0 0 396.490 5.802 50 30 GKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076567 519048354 /nfs/dbraw/zinc/04/83/54/519048354.db2.gz NXICMDFTXOFVRO-QGZVFWFLSA-N 0 0 379.456 5.593 50 30 GKEARN CC(C)(C)c1ccccc1/N=C/c1cccc(/C=N/c2ccccc2C(C)(C)C)c1 ZINC000002182778 519055704 /nfs/dbraw/zinc/05/57/04/519055704.db2.gz AEJWHDBPSBJVMC-CZYCKNNWSA-N 0 0 396.578 7.783 50 30 GKEARN C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1cc(F)ccc1F ZINC000035927871 519063558 /nfs/dbraw/zinc/06/35/58/519063558.db2.gz GPAOBNZWNXDKSX-UHFFFAOYSA-N 0 0 398.453 5.061 50 30 GKEARN C=CCOc1ccccc1/C=C1/CCC/C(=C/c2ccccc2OCC=C)C1=O ZINC000033572567 519066030 /nfs/dbraw/zinc/06/60/30/519066030.db2.gz VCNSLUQFOIMPTI-RSFSRFMPSA-N 0 0 386.491 6.036 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)S1 ZINC000003003798 519076056 /nfs/dbraw/zinc/07/60/56/519076056.db2.gz JFXDYMVJABWZRL-GDNBJRDFSA-N 0 0 386.454 5.053 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(=O)S1 ZINC000003002044 519076364 /nfs/dbraw/zinc/07/63/64/519076364.db2.gz IPRXEWBLPPRLNC-ATVHPVEESA-N 0 0 397.521 5.164 50 30 GKEARN C=CCS/C(=N\S(=O)(=O)c1ccc(C)cc1)Sc1ccc(Cl)cc1 ZINC000002997311 519076595 /nfs/dbraw/zinc/07/65/95/519076595.db2.gz QIGOWAKSEVWMIA-HTXNQAPBSA-N 0 0 397.974 5.405 50 30 GKEARN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C)cc1 ZINC000254394489 519148975 /nfs/dbraw/zinc/14/89/75/519148975.db2.gz XCOOARJLJVADBR-UHFFFAOYSA-N 0 0 375.324 6.250 50 30 GKEARN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/c1cccc2ccccc21 ZINC000100477501 519150311 /nfs/dbraw/zinc/15/03/11/519150311.db2.gz CWZZSEBFLRESRC-GHVJWSGMSA-N 0 0 387.464 5.696 50 30 GKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc21 ZINC000017299702 519167328 /nfs/dbraw/zinc/16/73/28/519167328.db2.gz FALAEUJRLVTBHT-MOSHPQCFSA-N 0 0 391.471 5.357 50 30 GKEARN C=CCn1c(Cc2cccs2)nnc1SCc1c(F)cccc1Cl ZINC000014113219 519194144 /nfs/dbraw/zinc/19/41/44/519194144.db2.gz PBLYUJHIUSPEHM-UHFFFAOYSA-N 0 0 379.913 5.201 50 30 GKEARN C=CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O ZINC000003221168 519197609 /nfs/dbraw/zinc/19/76/09/519197609.db2.gz FAJWSLCDQBQUHH-UHFFFAOYSA-N 0 0 398.553 5.018 50 30 GKEARN C=CCn1c(SCc2c(C)noc2C)nnc1-c1ccc(Cl)cc1Cl ZINC000022613565 519237259 /nfs/dbraw/zinc/23/72/59/519237259.db2.gz QPZKWKCZJGOTAJ-UHFFFAOYSA-N 0 0 395.315 5.335 50 30 GKEARN C=CCn1c(SCc2cc(C)on2)nnc1-c1ccc(Cl)cc1Cl ZINC000007836076 519239193 /nfs/dbraw/zinc/23/91/93/519239193.db2.gz AYSPJAYUGJDBCE-UHFFFAOYSA-N 0 0 381.288 5.027 50 30 GKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000006022324 519240100 /nfs/dbraw/zinc/24/01/00/519240100.db2.gz WMGNATVOTLYGKA-UHFFFAOYSA-N 0 0 376.312 5.730 50 30 GKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccs1 ZINC000002374020 519241682 /nfs/dbraw/zinc/24/16/82/519241682.db2.gz FIUGLMNDSZZNNW-UHFFFAOYSA-N 0 0 392.347 5.247 50 30 GKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478532 519242167 /nfs/dbraw/zinc/24/21/67/519242167.db2.gz XWKYRYMFVMHFMP-UHFFFAOYSA-N 0 0 397.975 6.374 50 30 GKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000017076770 519242342 /nfs/dbraw/zinc/24/23/42/519242342.db2.gz JMZLSBLFPTZXSN-UHFFFAOYSA-N 0 0 375.419 5.442 50 30 GKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000006317572 519242635 /nfs/dbraw/zinc/24/26/35/519242635.db2.gz VFKBLOWAMLWHED-UHFFFAOYSA-N 0 0 381.448 5.504 50 30 GKEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1csc2c1CCCC2 ZINC000017081366 519243452 /nfs/dbraw/zinc/24/34/52/519243452.db2.gz HJPNNDXSINNMEZ-UHFFFAOYSA-N 0 0 397.569 5.372 50 30 GKEARN C=CCn1c2ccc(C)cc2s/c1=N\C(=O)c1cccc(OCCCCC)c1 ZINC000100874079 519260905 /nfs/dbraw/zinc/26/09/05/519260905.db2.gz HDMKNGFUUIKXMG-VHXPQNKSSA-N 0 0 394.540 5.507 50 30 GKEARN C=CCn1c2ccc(C(C)C)cc2sc1=NC(=O)Cc1ccccc1Cl ZINC000100875972 519261205 /nfs/dbraw/zinc/26/12/05/519261205.db2.gz LJDDCHGHEHEWTK-XTQSDGFTSA-N 0 0 384.932 5.336 50 30 GKEARN C=CCn1cc(/C=N/c2sccc2C(=O)NCc2ccco2)c2ccccc21 ZINC000006317580 519275211 /nfs/dbraw/zinc/27/52/11/519275211.db2.gz SCGPXQBPMFNTFS-ZMOGYAJESA-N 0 0 389.480 5.162 50 30 GKEARN CC(=CNOC(=O)c1cccs1)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000095626609 519348757 /nfs/dbraw/zinc/34/87/57/519348757.db2.gz DMCNABMQWHMXTM-NDILIQOGSA-N 0 0 390.679 5.339 50 30 GKEARN CC(=O)/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1C ZINC000033502580 519351430 /nfs/dbraw/zinc/35/14/30/519351430.db2.gz DLDNVPYUPIMXQK-SXGWCWSVSA-N 0 0 381.781 5.278 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2)cs1)c1c(C)cccc1C ZINC000096924488 519476860 /nfs/dbraw/zinc/47/68/60/519476860.db2.gz ROOXUQMGHDBWRD-QXMHVHEDSA-N 0 0 394.471 5.480 50 30 GKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cccc(O)c2)cs1)c1c(C)cccc1C ZINC000096924532 519477164 /nfs/dbraw/zinc/47/71/64/519477164.db2.gz BHMCLJPTUDFDEC-KHPPLWFESA-N 0 0 392.480 5.046 50 30 GKEARN CC(C)C(=O)Nc1sc(N=NCc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000016806428 519532616 /nfs/dbraw/zinc/53/26/16/519532616.db2.gz VOGNLQPEYJKLJO-WSDLNYQXSA-N 0 0 398.919 5.504 50 30 GKEARN CC(C)CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1 ZINC000033677263 519603645 /nfs/dbraw/zinc/60/36/45/519603645.db2.gz UHFLVTQEYSASSY-XGICHPGQSA-N 0 0 386.289 5.330 50 30 GKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1F)O2)CC(C)C ZINC000020663782 519718154 /nfs/dbraw/zinc/71/81/54/519718154.db2.gz HKXORXUAKBKVTL-JJFYIABZSA-N 0 0 397.490 5.262 50 30 GKEARN CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000036517089 519839404 /nfs/dbraw/zinc/83/94/04/519839404.db2.gz BHNGKGLYGZDJSD-JOCHJYFZSA-N 0 0 391.555 6.624 50 30 GKEARN CCCC(C)(C)[C@@H]1C[C@@H](C)CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101673112 519882768 /nfs/dbraw/zinc/88/27/68/519882768.db2.gz VYVCOPUKBOFTDG-CTKJFBEOSA-N 0 0 376.457 5.533 50 30 GKEARN CCCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@@H](c2ccccc2)CC1=O ZINC000004406336 519905395 /nfs/dbraw/zinc/90/53/95/519905395.db2.gz YCEPSSZBPMWNCO-JOCHJYFZSA-N 0 0 397.518 6.412 50 30 GKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000027562600 519921204 /nfs/dbraw/zinc/92/12/04/519921204.db2.gz QVWQXZUCASTXIF-OEAKJJBVSA-N 0 0 395.463 5.364 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2cc(C)ccn21 ZINC000102993337 519962834 /nfs/dbraw/zinc/96/28/34/519962834.db2.gz DFUAARIDBGZYIR-UHFFFAOYSA-N 0 0 379.504 5.617 50 30 GKEARN CCCCCCCC(=O)NC1CCN(c2nc3ccccc3n2C(C)C)CC1 ZINC000102993025 519963246 /nfs/dbraw/zinc/96/32/46/519963246.db2.gz XZLYJQAYBKOECP-UHFFFAOYSA-N 0 0 384.568 5.063 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000003122765 519963577 /nfs/dbraw/zinc/96/35/77/519963577.db2.gz HTDPEZOIKHRDAB-KRWDZBQOSA-N 0 0 393.786 5.888 50 30 GKEARN CCCCCCCC(=O)Nc1c(-c2cccc(Cl)c2)nc2ccc(C)cn21 ZINC000102993309 519963744 /nfs/dbraw/zinc/96/37/44/519963744.db2.gz AJIVMZUIBUUKDI-UHFFFAOYSA-N 0 0 383.923 6.262 50 30 GKEARN CCCCCCCCC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c21 ZINC000002583754 519973018 /nfs/dbraw/zinc/97/30/18/519973018.db2.gz WLSCZNTXZOTUFQ-UHFFFAOYSA-N 0 0 386.717 6.240 50 30 GKEARN CCCCCCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2cc(C)ccn21 ZINC000102996480 519973783 /nfs/dbraw/zinc/97/37/83/519973783.db2.gz JZVHLBSERHIWBT-UHFFFAOYSA-N 0 0 391.559 6.616 50 30 GKEARN CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCC ZINC000097944224 519979208 /nfs/dbraw/zinc/97/92/08/519979208.db2.gz UTHPRQBCDYTNGP-UHFFFAOYSA-N 0 0 396.660 6.280 50 30 GKEARN CCCCCCCCCC(=O)c1ccc(OCCCCCCCC)cc1O ZINC000100730656 519979483 /nfs/dbraw/zinc/97/94/83/519979483.db2.gz PXXKACKLESGKIJ-UHFFFAOYSA-N 0 0 376.581 7.455 50 30 GKEARN CCCCCCCCCC(=O)OCCc1ccc(OCc2ccccc2)cc1 ZINC000100047511 519979711 /nfs/dbraw/zinc/97/97/11/519979711.db2.gz MKSNYWIILLZWOY-UHFFFAOYSA-N 0 0 382.544 6.492 50 30 GKEARN CCCCCCCCCCCC(=O)C1=C(OC)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100740663 519981587 /nfs/dbraw/zinc/98/15/87/519981587.db2.gz IYDDVEFHLYPXJZ-FQEVSTJZSA-N 0 0 394.552 5.165 50 30 biogenic GKEARN CCCCCCCCCCCC(=O)C1=C(OC)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100740664 519981947 /nfs/dbraw/zinc/98/19/47/519981947.db2.gz IYDDVEFHLYPXJZ-HXUWFJFHSA-N 0 0 394.552 5.165 50 30 biogenic GKEARN CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)[C@H](C)CC ZINC000102999535 519982342 /nfs/dbraw/zinc/98/23/42/519982342.db2.gz ATMWCCQSPRFCEQ-GOSISDBHSA-N 0 0 393.572 5.470 50 30 GKEARN CCCCCCCCCCCC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098001457 519983307 /nfs/dbraw/zinc/98/33/07/519983307.db2.gz BQRRIYFBCQUFGQ-UHFFFAOYSA-N 0 0 396.531 7.121 50 30 biogenic GKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000097944221 519984160 /nfs/dbraw/zinc/98/41/60/519984160.db2.gz GLAQYYNGQZCUMO-UHFFFAOYSA-N 0 0 392.609 5.975 50 30 GKEARN CCCCCCCCCCCCCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000097950590 519987437 /nfs/dbraw/zinc/98/74/37/519987437.db2.gz QHKLMQNDPDBRSI-UHFFFAOYSA-N 0 0 391.596 6.064 50 30 GKEARN CCCCCCCCCCCCCC(=O)N(CCC)CC(=O)Nc1ccon1 ZINC000103000670 519987479 /nfs/dbraw/zinc/98/74/79/519987479.db2.gz TUQWJLXTHKAICR-UHFFFAOYSA-N 0 0 393.572 5.553 50 30 GKEARN CCCCCCCCCCCCCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000103000720 519988428 /nfs/dbraw/zinc/98/84/28/519988428.db2.gz BYZUUYFKSGZVJM-UHFFFAOYSA-N 0 0 397.603 7.510 50 30 GKEARN CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC ZINC000082040288 519988604 /nfs/dbraw/zinc/98/86/04/519988604.db2.gz DFQOCHPHORLRID-UHFFFAOYSA-N 0 0 396.700 9.152 50 30 GKEARN CCCCCCCCCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000100442412 519991155 /nfs/dbraw/zinc/99/11/55/519991155.db2.gz UIZIOTNMVKWJMT-UHFFFAOYSA-N 0 0 376.541 7.015 50 30 GKEARN CCCCCCCCCCCCCCCCCCNC(=O)Cc1ccccc1 ZINC000033353026 519994159 /nfs/dbraw/zinc/99/41/59/519994159.db2.gz PMNNKCGDKSIBLA-UHFFFAOYSA-N 0 0 387.652 7.607 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC ZINC000085922183 519994260 /nfs/dbraw/zinc/99/42/60/519994260.db2.gz AKXFYSSXNQQBNT-UHFFFAOYSA-N 0 0 396.700 9.152 50 30 GKEARN CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000085913235 519994981 /nfs/dbraw/zinc/99/49/81/519994981.db2.gz MSVLAXSCPVNLFM-XMMPIXPASA-N 0 0 398.672 7.732 50 30 GKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000100061148 519998621 /nfs/dbraw/zinc/99/86/21/519998621.db2.gz LXAJCOHPBQVOJT-UHFFFAOYSA-N 0 0 395.653 6.755 50 30 GKEARN CCCCCCCCCCCCCCCCNC(=S)Nc1ccccc1 ZINC000100061152 519999047 /nfs/dbraw/zinc/99/90/47/519999047.db2.gz AGGCPIHYQNXMTR-UHFFFAOYSA-N 0 0 376.654 7.454 50 30 GKEARN CCCCCCCCCCCCNC(=S)Nc1sc(C)cc1C(=O)OC ZINC000103005169 520009848 /nfs/dbraw/zinc/00/98/48/520009848.db2.gz KZYGUJDQYNUCAD-UHFFFAOYSA-N 0 0 398.638 6.050 50 30 GKEARN CCCCCCCCCCCCSC(=S)S[C@@](C)(C#N)CCCO ZINC000101772374 520012842 /nfs/dbraw/zinc/01/28/42/520012842.db2.gz SAFBIHFUHZPVOZ-LJQANCHMSA-N 0 0 389.696 6.713 50 30 GKEARN CCCCCCCCCCCCS[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100393774 520013038 /nfs/dbraw/zinc/01/30/38/520013038.db2.gz DGHWILNQPWZCPC-FQEVSTJZSA-N 0 0 375.578 5.973 50 30 GKEARN CCCCCCCCCCCCOc1ccccc1NC(=O)c1cccc(N)c1 ZINC000101016651 520013303 /nfs/dbraw/zinc/01/33/03/520013303.db2.gz RQQGEEBEOHUBKI-UHFFFAOYSA-N 0 0 396.575 6.821 50 30 GKEARN CCCCCCCCCCCCSCCS(=O)(=O)Oc1ccccc1 ZINC000101014985 520014354 /nfs/dbraw/zinc/01/43/54/520014354.db2.gz DQSUKWYFELVLHW-UHFFFAOYSA-N 0 0 386.623 6.049 50 30 GKEARN CCCCCCCCCCCc1nc(C2CCC(CCCCCC)CC2)no1 ZINC000059211788 520016960 /nfs/dbraw/zinc/01/69/60/520016960.db2.gz FYLFDYIDQFOLET-UHFFFAOYSA-N 0 0 390.656 8.387 50 30 GKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000097951618 520018325 /nfs/dbraw/zinc/01/83/25/520018325.db2.gz RVMQYPIISHOYNH-UHFFFAOYSA-N 0 0 392.544 6.395 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000008403854 520022312 /nfs/dbraw/zinc/02/23/12/520022312.db2.gz DCQFZWMUONTKFL-BGYRXZFFSA-N 0 0 390.568 5.847 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(C)cn2)cc1 ZINC000102454801 520022901 /nfs/dbraw/zinc/02/29/01/520022901.db2.gz CJXUFZWYORGOPI-UHFFFAOYSA-N 0 0 383.536 6.554 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000098048836 520023187 /nfs/dbraw/zinc/02/31/87/520023187.db2.gz LFLNYGRMNDVWJX-NRFANRHFSA-N 0 0 376.541 5.507 50 30 GKEARN CCCCCCCCCCOc1ccc(OCCCCCCCCCC)cc1 ZINC000068569062 520023236 /nfs/dbraw/zinc/02/32/36/520023236.db2.gz MMGPQYJNRFGRQK-UHFFFAOYSA-N 0 0 390.652 8.726 50 30 GKEARN CCCCCCCCCCOc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000098043297 520023596 /nfs/dbraw/zinc/02/35/96/520023596.db2.gz AKHAZPQCPLOBNC-UHFFFAOYSA-N 0 0 382.548 6.528 50 30 GKEARN CCCCCCCCCCc1ccc(-c2ccc(SCCCCC)cc2)nc1 ZINC000098045009 520025542 /nfs/dbraw/zinc/02/55/42/520025542.db2.gz VCOCEARQHUVWSU-UHFFFAOYSA-N 0 0 397.672 8.714 50 30 GKEARN CCCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052395 520030751 /nfs/dbraw/zinc/03/07/51/520030751.db2.gz RTQFMHKEIOUPDD-PSYPFIQXSA-N 0 0 391.559 7.817 50 30 GKEARN CCCCCCCCCc1noc(-c2ccc(C3CCC(CCC)CC3)cc2)n1 ZINC000100486436 520030912 /nfs/dbraw/zinc/03/09/12/520030912.db2.gz YDRNAGQORVZQCT-UHFFFAOYSA-N 0 0 396.619 8.104 50 30 GKEARN CCCCCCCCCc1noc(-c2c(C)onc2-c2ccccc2Cl)n1 ZINC000059211782 520031501 /nfs/dbraw/zinc/03/15/01/520031501.db2.gz DAUXRJUDIJNARD-UHFFFAOYSA-N 0 0 387.911 6.647 50 30 GKEARN CCCCCCCCCc1cnc(-c2ccc(OCCCCCC)cc2)nc1 ZINC000097997878 520031590 /nfs/dbraw/zinc/03/15/90/520031590.db2.gz YQQXBCJQEGWHRW-UHFFFAOYSA-N 0 0 382.592 7.396 50 30 GKEARN CCCCCCCCCc1nc(=S)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000097951153 520031783 /nfs/dbraw/zinc/03/17/83/520031783.db2.gz WLCHQBWSOGTEGD-UHFFFAOYSA-N 0 0 378.607 6.498 50 30 GKEARN CCCCCCCCCn1c2ccccc2nc1/N=C/c1c[nH]c2ccccc12 ZINC000050860178 520032125 /nfs/dbraw/zinc/03/21/25/520032125.db2.gz AECIWALZGAYHKI-ZXVVBBHZSA-N 0 0 386.543 7.019 50 30 GKEARN CCCCCCCCNC(=O)c1ccc(Br)cc1Br ZINC000002061872 520035057 /nfs/dbraw/zinc/03/50/57/520035057.db2.gz VPALKDSAWSOEQS-UHFFFAOYSA-N 0 0 391.147 5.302 50 30 GKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(C)cc(C)c1 ZINC000050861926 520035856 /nfs/dbraw/zinc/03/58/56/520035856.db2.gz UUHSRBAWCGPPJU-UHFFFAOYSA-N 0 0 377.532 5.733 50 30 GKEARN CCCCCCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000098048088 520037384 /nfs/dbraw/zinc/03/73/84/520037384.db2.gz RYKAPGYXPGHULL-UHFFFAOYSA-N 0 0 392.591 6.775 50 30 GKEARN CCCCCCCCNc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097952303 520039507 /nfs/dbraw/zinc/03/95/07/520039507.db2.gz RTCSIKXDALCTLY-UHFFFAOYSA-N 0 0 398.576 5.863 50 30 GKEARN CCCCCCCCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000059722873 520040823 /nfs/dbraw/zinc/04/08/23/520040823.db2.gz NWKQMOUREHAMPG-UHFFFAOYSA-N 0 0 387.973 5.254 50 30 GKEARN CCCCCCCCO[P@](=O)(CCCCCC)Oc1ccc([N+](=O)[O-])cc1 ZINC000255963063 520041347 /nfs/dbraw/zinc/04/13/47/520041347.db2.gz ASHRBQSEDCWUGD-HHHXNRCGSA-N 0 0 399.468 7.124 50 30 in-vitro GKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000098044716 520041874 /nfs/dbraw/zinc/04/18/74/520041874.db2.gz BFWSABNUHRRFJG-UHFFFAOYSA-N 0 0 395.543 5.565 50 30 GKEARN CCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCC)n1 ZINC000097997867 520041995 /nfs/dbraw/zinc/04/19/95/520041995.db2.gz FORDXJAQFYHGMX-UHFFFAOYSA-N 0 0 391.552 6.116 50 30 biogenic GKEARN CCCCCCCCOc1ccc(C(=O)OC)c(OCCCCCCCC)c1 ZINC000100730602 520042851 /nfs/dbraw/zinc/04/28/51/520042851.db2.gz MGDRZVHZPXKZTH-UHFFFAOYSA-N 0 0 392.580 6.952 50 30 GKEARN CCCCCCCCOc1cnc(-c2ccc(CCCCCCC)cc2)nc1 ZINC000100092042 520046000 /nfs/dbraw/zinc/04/60/00/520046000.db2.gz ROUZDYXXSLYRSA-UHFFFAOYSA-N 0 0 382.592 7.396 50 30 GKEARN CCCCCCCCn1c2ccccc2nc1/N=C/c1nc2ccccc2n1C ZINC000050860265 520051566 /nfs/dbraw/zinc/05/15/66/520051566.db2.gz ZGLPUYPKSJDPOS-XIEYBQDHSA-N 0 0 387.531 6.034 50 30 GKEARN CCCCCCCNC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000098045219 520054084 /nfs/dbraw/zinc/05/40/84/520054084.db2.gz KBBLWPVVYHMOSL-UHFFFAOYSA-N 0 0 396.531 5.071 50 30 GKEARN CCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000002751625 520055126 /nfs/dbraw/zinc/05/51/26/520055126.db2.gz LVWJWTLEVCXNDA-UHFFFAOYSA-N 0 0 376.500 5.611 50 30 GKEARN CCCCCCCNC(=O)c1cccnc1SCc1ccccc1Cl ZINC000002922030 520055816 /nfs/dbraw/zinc/05/58/16/520055816.db2.gz RYPVVEZPKZQUGF-UHFFFAOYSA-N 0 0 376.953 5.728 50 30 GKEARN CCCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000103557398 520061861 /nfs/dbraw/zinc/06/18/61/520061861.db2.gz BDQMWWHMBRWIMI-PTGBLXJZSA-N 0 0 376.500 5.842 50 30 GKEARN CCCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc(Cl)cc1 ZINC000100730169 520063368 /nfs/dbraw/zinc/06/33/68/520063368.db2.gz DTLQCFPILXHNTQ-CAPFRKAQSA-N 0 0 397.902 6.034 50 30 GKEARN CCCCCCCOc1cccc(NC[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000100039129 520063643 /nfs/dbraw/zinc/06/36/43/520063643.db2.gz YYIFHWLSOGXYDL-NRFANRHFSA-N 0 0 397.603 7.213 50 30 GKEARN CCCCCCCOc1cccc(NCc2ccccc2OCCOCC)c1 ZINC000100039139 520063896 /nfs/dbraw/zinc/06/38/96/520063896.db2.gz HERLBHGYKSRISZ-UHFFFAOYSA-N 0 0 385.548 6.063 50 30 GKEARN CCCCCCCOc1ccc(NC[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000100033635 520064188 /nfs/dbraw/zinc/06/41/88/520064188.db2.gz GNXUVMAQLSZRGD-GOSISDBHSA-N 0 0 375.940 6.569 50 30 GKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000002292101 520065301 /nfs/dbraw/zinc/06/53/01/520065301.db2.gz OWUDOGKZSAEKLJ-AWEZNQCLSA-N 0 0 391.650 6.487 50 30 GKEARN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O ZINC000002289590 520065862 /nfs/dbraw/zinc/06/58/62/520065862.db2.gz UEGJXTZPGOXDQB-SILNSSARSA-N 0 0 381.447 5.519 50 30 GKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(CCCCC)cc3)n2)cc1 ZINC000003022785 520069291 /nfs/dbraw/zinc/06/92/91/520069291.db2.gz QPZBURUWWDDSOB-UHFFFAOYSA-N 0 0 390.571 7.649 50 30 GKEARN CCCCCCCc1ccc(-c2nnc(-c3ccc(OCCCC)cc3)o2)cc1 ZINC000003022772 520069555 /nfs/dbraw/zinc/06/95/55/520069555.db2.gz QPQSFHJNAVRBSK-UHFFFAOYSA-N 0 0 392.543 7.095 50 30 GKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000098045137 520069907 /nfs/dbraw/zinc/06/99/07/520069907.db2.gz JUBVURIRPJNHMK-UHFFFAOYSA-N 0 0 380.488 5.934 50 30 GKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ZINC000033353659 520070713 /nfs/dbraw/zinc/07/07/13/520070713.db2.gz FWIXMXWLRSTHQF-UHFFFAOYSA-N 0 0 375.306 6.181 50 30 biogenic GKEARN CCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000050704980 520071581 /nfs/dbraw/zinc/07/15/81/520071581.db2.gz LSTYQKLTUJFWGI-UHFFFAOYSA-N 0 0 378.560 6.883 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000009334898 520076535 /nfs/dbraw/zinc/07/65/35/520076535.db2.gz KESKVGGLRNZSRB-OAQYLSRUSA-N 0 0 395.474 5.293 50 30 GKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 ZINC000102598151 520077400 /nfs/dbraw/zinc/07/74/00/520077400.db2.gz UBTAMHWCHUNWDY-MRJHHRETSA-N 0 0 395.474 5.136 50 30 GKEARN CCCCCCOc1ccc(CN=NC(=S)Nc2ccccc2)cc1OC ZINC000012374264 520104185 /nfs/dbraw/zinc/10/41/85/520104185.db2.gz LKSKNWGUNPEARU-JWGURIENSA-N 0 0 385.533 5.386 50 30 GKEARN CC/N=C1/S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC ZINC000005523085 520204061 /nfs/dbraw/zinc/20/40/61/520204061.db2.gz FDGMHVXFEWDBLE-AXMBFVIUSA-N 0 0 392.933 5.396 50 30 GKEARN CCCCCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000017086363 520248181 /nfs/dbraw/zinc/24/81/81/520248181.db2.gz OVLFNCSSNGQYOG-JJIBRWJFSA-N 0 0 379.529 6.215 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Cl)c1 ZINC000101275156 520257466 /nfs/dbraw/zinc/25/74/66/520257466.db2.gz LEMJQZCQWHOECM-LJQANCHMSA-N 0 0 389.882 5.278 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1 ZINC000100563544 520257866 /nfs/dbraw/zinc/25/78/66/520257866.db2.gz XJHGLZJWGACNPS-LJQANCHMSA-N 0 0 389.882 5.278 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@H]2c1cccs1 ZINC000018116891 520259635 /nfs/dbraw/zinc/25/96/35/520259635.db2.gz WGSFLBVCBPASIR-NRFANRHFSA-N 0 0 392.524 5.301 50 30 GKEARN CC1(C)CC(=O)C=C(/C=C/c2ccc(/C=C\C3=CC(=O)CC(C)(C)C3)s2)C1 ZINC000097414786 520273391 /nfs/dbraw/zinc/27/33/91/520273391.db2.gz PABMYDYPNAGGKV-CGXWXWIYSA-N 0 0 380.553 6.406 50 30 GKEARN c1ccc(N=NC(=C(NNc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000100333959 534493299 /nfs/dbraw/zinc/49/32/99/534493299.db2.gz ZYBRJAQAIDDAIV-IDDWGTJGSA-N 0 0 390.490 6.019 50 30 GKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C)o1)O2 ZINC000020647350 520496013 /nfs/dbraw/zinc/49/60/13/520496013.db2.gz MARUDRBVLWYMLQ-STZFKDTASA-N 0 0 383.488 5.312 50 30 GKEARN CCCCN(CCCC)c1ccc(/C=C2\N=C(SCC)SC2=O)cc1 ZINC000004123994 520498234 /nfs/dbraw/zinc/49/82/34/520498234.db2.gz FEVQUZYABRKFCU-SDXDJHTJSA-N 0 0 376.591 5.817 50 30 GKEARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 ZINC000100117603 520572733 /nfs/dbraw/zinc/57/27/33/520572733.db2.gz VGXKBFMACSIFSA-BMNAXSRBSA-N 0 0 398.481 5.781 50 30 GKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1 ZINC000022130592 520621980 /nfs/dbraw/zinc/62/19/80/520621980.db2.gz VCRHIDQIGRXWFP-RCCKNPSSSA-N 0 0 399.446 5.009 50 30 GKEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccccc1 ZINC000015009506 520637203 /nfs/dbraw/zinc/63/72/03/520637203.db2.gz LGPBPKSZRDIBEW-HAHDFKILSA-N 0 0 388.488 5.994 50 30 GKEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OC ZINC000015009500 520637674 /nfs/dbraw/zinc/63/76/74/520637674.db2.gz BNPQASJKGNKMIV-YBEGLDIGSA-N 0 0 391.286 5.186 50 30 GKEARN CCOc1ccc(-c2csc(C(C#N)=NNc3cccc(Cl)c3)n2)cc1 ZINC000006355342 520812855 /nfs/dbraw/zinc/81/28/55/520812855.db2.gz WGXFMVGCYRAWHI-ULJHMMPZSA-N 0 0 382.876 5.202 50 30 GKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019536437 520819682 /nfs/dbraw/zinc/81/96/82/520819682.db2.gz OTFDWSUSTRONCA-NRFANRHFSA-N 0 0 399.918 5.184 50 30 GKEARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccccc2)cc1 ZINC000004821962 520821596 /nfs/dbraw/zinc/82/15/96/520821596.db2.gz ICMMKLQBKLQVII-OBGWFSINSA-N 0 0 394.474 5.834 50 30 GKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000019774569 520822257 /nfs/dbraw/zinc/82/22/57/520822257.db2.gz UVLZBIXCZAPYBP-QHCPKHFHSA-N 0 0 389.495 5.007 50 30 GKEARN CCCCOc1ccc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)cc1 ZINC000012377888 520858177 /nfs/dbraw/zinc/85/81/77/520858177.db2.gz KXYSWXHOYCSAMX-HEHNFIMWSA-N 0 0 398.462 5.825 50 30 GKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2CC)cc1 ZINC000097464897 520859154 /nfs/dbraw/zinc/85/91/54/520859154.db2.gz HGAXWNXBKWZTNH-YISMEOAQSA-N 0 0 386.904 5.363 50 30 GKEARN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000000680918 520859560 /nfs/dbraw/zinc/85/95/60/520859560.db2.gz VZAMONKNZLWTAY-KOEQRZSOSA-N 0 0 375.468 5.814 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)c(O)c1 ZINC000000669901 520882240 /nfs/dbraw/zinc/88/22/40/520882240.db2.gz DCNSBLZLNKQIFF-KOEQRZSOSA-N 0 0 387.483 5.241 50 30 GKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000004475421 520883386 /nfs/dbraw/zinc/88/33/86/520883386.db2.gz AVWBGAIGBSIABP-FYJGNVAPSA-N 0 0 395.488 5.011 50 30 GKEARN CCN(CC)c1ccc(/N=C(/C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000004116021 520885333 /nfs/dbraw/zinc/88/53/33/520885333.db2.gz CAEYGFATCOPAHM-WNAAXNPUSA-N 0 0 399.494 5.127 50 30 GKEARN CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000095471660 520895623 /nfs/dbraw/zinc/89/56/23/520895623.db2.gz PWVKRDRWQVOXOX-MJHJUBQXSA-N 0 0 391.496 5.067 50 30 GKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000005093727 520896880 /nfs/dbraw/zinc/89/68/80/520896880.db2.gz VDTVXPWZRHCESD-UQTBGETHSA-N 0 0 393.556 5.246 50 30 GKEARN CCCCOc1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000002272185 520898508 /nfs/dbraw/zinc/89/85/08/520898508.db2.gz FWAZRWLMUSJDBH-ZXVVBBHZSA-N 0 0 395.506 6.469 50 30 GKEARN CCCCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000009597532 520978325 /nfs/dbraw/zinc/97/83/25/520978325.db2.gz YTXFNBPOHNOECK-IBGZPJMESA-N 0 0 396.560 5.137 50 30 GKEARN CCCC[C@H](CC)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)c2ccccc21 ZINC000004655632 521164692 /nfs/dbraw/zinc/16/46/92/521164692.db2.gz VPZWBKSYSNFFTK-IBGZPJMESA-N 0 0 390.523 6.436 50 30 GKEARN CCCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000002325760 521253851 /nfs/dbraw/zinc/25/38/51/521253851.db2.gz HIZMJNVAYKEKLE-NAZSODNNSA-N 0 0 379.529 5.019 50 30 GKEARN CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(Cl)c2)c1O ZINC000102417321 521317377 /nfs/dbraw/zinc/31/73/77/521317377.db2.gz WDTAOMPYMUGBCO-WSDLNYQXSA-N 0 0 384.819 5.040 50 30 GKEARN CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000019973822 521328535 /nfs/dbraw/zinc/32/85/35/521328535.db2.gz PXMMYQSOTQXPCO-UHFFFAOYSA-N 0 0 393.527 5.059 50 30 GKEARN CCOC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)csc1/N=C/N(C)C ZINC000004284146 521371998 /nfs/dbraw/zinc/37/19/98/521371998.db2.gz PKUGPGMTCOBNPZ-HZHRSRAPSA-N 0 0 394.496 5.606 50 30 GKEARN CCOC(=O)c1c(NC2=CC(=O)C[C@@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000001445986 521413783 /nfs/dbraw/zinc/41/37/83/521413783.db2.gz VFIFMHORVCJYFT-INIZCTEOSA-N 0 0 395.524 5.246 50 30 GKEARN CCN1C(=O)C(=CNc2ccc(C)cc2)S/C1=N\c1ccc(C)c(Cl)c1 ZINC000017837905 521514604 /nfs/dbraw/zinc/51/46/04/521514604.db2.gz PAGWUPVXCHQLTB-INNVFMJMSA-N 0 0 385.920 5.493 50 30 GKEARN CCCc1sc(/N=C/c2ccc3ccccc3c2O)c(C(=O)OCC)c1C ZINC000103762453 521612176 /nfs/dbraw/zinc/61/21/76/521612176.db2.gz CRXNZFFKUCXZBY-YDZHTSKRSA-N 0 0 381.497 5.795 50 30 GKEARN CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 ZINC000103217593 521698472 /nfs/dbraw/zinc/69/84/72/521698472.db2.gz PLWHKCGSRJDMBE-MPIQAULUSA-N 0 0 396.512 5.108 50 30 GKEARN CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000100233462 521699035 /nfs/dbraw/zinc/69/90/35/521699035.db2.gz ZFKWOSBYAQXQPC-MPIQAULUSA-N 0 0 396.512 5.108 50 30 GKEARN CCc1cccc2c(/C=C3\S/C(=N\c4ccc(C)cc4)N(C)C3=O)c[nH]c21 ZINC000017146094 521785466 /nfs/dbraw/zinc/78/54/66/521785466.db2.gz XSLPDOIECBNPGJ-WRANEOQNSA-N 0 0 375.497 5.273 50 30 GKEARN CC[C@@H](C)N=C(Nc1ccc(C)cc1)C(=N[C@H](C)CC)Nc1ccc(C)cc1 ZINC000017154948 521898963 /nfs/dbraw/zinc/89/89/63/521898963.db2.gz FMGGNWIDZMOMJX-WOJBJXKFSA-N 0 0 378.564 6.031 50 30 GKEARN COc1cc(/C=C/C(=O)Oc2ccc(Cl)c3ccccc23)ccc1OCC#N ZINC000003335915 521938488 /nfs/dbraw/zinc/93/84/88/521938488.db2.gz CCLKGULFXMZSOL-YRNVUSSQSA-N 0 0 393.826 5.023 50 30 GKEARN COc1cc(/C=C\C(=O)c2cccc3ccccc32)cc(Br)c1O ZINC000098053747 521984094 /nfs/dbraw/zinc/98/40/94/521984094.db2.gz OBFVIIRXVKCJEY-KTKRTIGZSA-N 0 0 383.241 5.213 50 30 GKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000004119365 521994903 /nfs/dbraw/zinc/99/49/03/521994903.db2.gz YJKCURVEYNVXQN-OEAKJJBVSA-N 0 0 389.480 5.330 50 30 GKEARN COc1cc(/C=N/c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1cccs1 ZINC000001044798 521997658 /nfs/dbraw/zinc/99/76/58/521997658.db2.gz WCTSBTUPLRDMHH-LQXWQKHGSA-N 0 0 397.883 5.780 50 30 GKEARN COc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1 ZINC000100889453 522000364 /nfs/dbraw/zinc/00/03/64/522000364.db2.gz LRJKDCPZTDQZOA-ZMOGYAJESA-N 0 0 383.806 5.458 50 30 GKEARN COc1cc(/C=N/c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103748304 522001032 /nfs/dbraw/zinc/00/10/32/522001032.db2.gz BWDYFOHUIDKRJG-FYJGNVAPSA-N 0 0 393.355 5.055 50 30 GKEARN N#CCOc1ccc(C(=O)/C=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000096792337 534690196 /nfs/dbraw/zinc/69/01/96/534690196.db2.gz MBLGMVDLLSSQJV-TWGQIWQCSA-N 0 0 398.245 6.052 50 30 GKEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3F)nc3ccccc32)cc1 ZINC000005032680 523363769 /nfs/dbraw/zinc/36/37/69/523363769.db2.gz VUEJJNYVIQGERX-DICXZTSXSA-N 0 0 386.430 5.281 50 30 GKEARN COc1ccc(/C(CCCCCC/C(=N/O)c2ccc(OC)cc2)=N/O)cc1 ZINC000100514297 523366709 /nfs/dbraw/zinc/36/67/09/523366709.db2.gz RTPYQQFQMYVZHY-MMUCEYJRSA-N 0 0 384.476 5.101 50 30 GKEARN COc1ccc(/C=C/C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000002257300 523384780 /nfs/dbraw/zinc/38/47/80/523384780.db2.gz RPYXTXTWHYNJBZ-VNQWHQNRSA-N 0 0 391.898 6.174 50 30 GKEARN COc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2OC)c(OC)c1 ZINC000004473137 523400609 /nfs/dbraw/zinc/40/06/09/523400609.db2.gz DRMKYWDUTUSQSZ-ZRDIBKRKSA-N 0 0 396.483 5.126 50 30 GKEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccc(F)cc1 ZINC000033287011 523410949 /nfs/dbraw/zinc/41/09/49/523410949.db2.gz PBYKDHBMTIGAPX-RGEXLXHISA-N 0 0 388.438 5.626 50 30 GKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000245241831 523418620 /nfs/dbraw/zinc/41/86/20/523418620.db2.gz QMUTWRBFFVDYDU-ZEMGRZRJSA-N 0 0 388.507 5.520 50 30 GKEARN COc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1 ZINC000012374185 523424489 /nfs/dbraw/zinc/42/44/89/523424489.db2.gz BUGWKJKCGHOULW-UUYOSTAYSA-N 0 0 392.838 5.544 50 30 biogenic GKEARN COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004027132 523438825 /nfs/dbraw/zinc/43/88/25/523438825.db2.gz NATKEWUCHCEYAD-GGIRWFOVSA-N 0 0 395.543 5.502 50 30 biogenic GKEARN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)nc3ccccc32)cc1OC ZINC000004989994 523446816 /nfs/dbraw/zinc/44/68/16/523446816.db2.gz DJRMDNNGXJDPEU-MFKUBSTISA-N 0 0 398.466 5.068 50 30 GKEARN COc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(OC)cc3)c2OC)cc1 ZINC000103749731 523466550 /nfs/dbraw/zinc/46/65/50/523466550.db2.gz RROAKGKIJLKWOP-RYQLWAFASA-N 0 0 388.467 5.522 50 30 GKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000032107138 523467146 /nfs/dbraw/zinc/46/71/46/523467146.db2.gz JZKZXUMBEFSGTI-GSSCTWANSA-N 0 0 380.513 5.264 50 30 GKEARN COc1ccc(Br)cc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004603618 523492631 /nfs/dbraw/zinc/49/26/31/523492631.db2.gz POAKPCKYJWTDBE-VXLYETTFSA-N 0 0 388.290 5.027 50 30 GKEARN COc1ccc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1 ZINC000012619716 523536276 /nfs/dbraw/zinc/53/62/76/523536276.db2.gz HSKXBEBXWQVBPV-XSFVSMFZSA-N 0 0 393.446 5.476 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2ccccc2)c1 ZINC000004279073 523538995 /nfs/dbraw/zinc/53/89/95/523538995.db2.gz ADFNOMMHXACYGE-NTEUORMPSA-N 0 0 392.838 5.464 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cccc(OC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000004044775 523540719 /nfs/dbraw/zinc/54/07/19/523540719.db2.gz CTLQDHDDHYCSHW-OTYYAQKOSA-N 0 0 384.431 5.210 50 30 biogenic GKEARN COc1ccc(C(=O)/C=C/c2ccccc2F)c(OC(=O)c2ccccc2C)c1 ZINC000004279056 523540885 /nfs/dbraw/zinc/54/08/85/523540885.db2.gz TXYWAJAUGJXJBH-SDNWHVSQSA-N 0 0 390.410 5.258 50 30 GKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000004805229 523541148 /nfs/dbraw/zinc/54/11/48/523541148.db2.gz UPEYJJWZLLDMMN-SAPNQHFASA-N 0 0 394.474 5.752 50 30 GKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc(F)cc3)c2)cc1 ZINC000005030420 523541303 /nfs/dbraw/zinc/54/13/03/523541303.db2.gz FKPUZYHXERXYHX-QLKAYGNNSA-N 0 0 392.426 5.318 50 30 GKEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)cc1 ZINC000004724728 523861658 /nfs/dbraw/zinc/86/16/58/523861658.db2.gz PMWLUZUSRGXSDM-PFONDFGASA-N 0 0 384.504 6.059 50 30 GKEARN COc1ccc(C2CC(=O)C(=CNc3ccc(Cl)c(Cl)c3)C(=O)C2)cc1 ZINC000100424319 523882268 /nfs/dbraw/zinc/88/22/68/523882268.db2.gz SGYSDIKZDCCGCX-UHFFFAOYSA-N 0 0 390.266 5.014 50 30 GKEARN CN(C)/C=N/c1ncc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)s1 ZINC000100914854 523968880 /nfs/dbraw/zinc/96/88/80/523968880.db2.gz SZGQZQGLTHEHAB-ZVBGSRNCSA-N 0 0 394.283 5.162 50 30 GKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000028051673 524056848 /nfs/dbraw/zinc/05/68/48/524056848.db2.gz YMYUGJLLILEKJS-CVDCTZTESA-N 0 0 384.479 5.504 50 30 GKEARN Cc1ccc2oc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000003025687 524085852 /nfs/dbraw/zinc/08/58/52/524085852.db2.gz GORSNQCVIVWHSU-KMNHIJHVSA-N 0 0 399.406 5.833 50 30 GKEARN Cc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(C)c2)c1 ZINC000002848888 524153770 /nfs/dbraw/zinc/15/37/70/524153770.db2.gz DSYPDJCFSCKGRJ-CZYCKNNWSA-N 0 0 388.514 7.472 50 30 GKEARN Cc1ccc(C)c(S(=O)(=O)N=C(Nc2ccccc2)c2ccc(Cl)cc2)c1 ZINC000018058245 524184025 /nfs/dbraw/zinc/18/40/25/524184025.db2.gz AORINAXMMWCYLK-UHFFFAOYSA-N 0 0 398.915 5.204 50 30 GKEARN COc1ccc(Cl)cc1N=NC(Cl)N=Nc1cc(Cl)ccc1OC ZINC000006995675 524192320 /nfs/dbraw/zinc/19/23/20/524192320.db2.gz BUUAUVXEFLODCF-RKKIVZTMSA-N 0 0 387.654 5.716 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2Cl)C12CCCCC2 ZINC000013302820 524244184 /nfs/dbraw/zinc/24/41/84/524244184.db2.gz LRMIIQLRMDNITN-UHFFFAOYSA-N 0 0 397.975 6.084 50 30 GKEARN COc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(C2CCCC2)C1=O ZINC000100076492 524321559 /nfs/dbraw/zinc/32/15/59/524321559.db2.gz KIDVENPRLZSWAT-MPIQAULUSA-N 0 0 378.497 5.242 50 30 GKEARN COc1ccccc1CN=Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004828134 524326658 /nfs/dbraw/zinc/32/66/58/524326658.db2.gz JXIXYXDKIBWQJB-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN COc1ccccc1C(=O)N=C1Nc2ccccc2N=C(C)[C@H]1c1ccccc1 ZINC000009305432 524329952 /nfs/dbraw/zinc/32/99/52/524329952.db2.gz SGYNPVXSORBZDE-QFIPXVFZSA-N 0 0 383.451 5.236 50 30 GKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000020072028 524338775 /nfs/dbraw/zinc/33/87/75/524338775.db2.gz XDGFECPBTPOFNN-JMIUGGIZSA-N 0 0 377.421 5.801 50 30 GKEARN COc1ccccc1C(=O)Oc1ccc(F)cc1C(=O)/C=C/c1cccs1 ZINC000004279071 524362639 /nfs/dbraw/zinc/36/26/39/524362639.db2.gz GXGFCDSWWFVDCO-MDZDMXLPSA-N 0 0 382.412 5.011 50 30 GKEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 ZINC000005023318 524379908 /nfs/dbraw/zinc/37/99/08/524379908.db2.gz CIWPXICRCFEMMG-QOMWVZHYSA-N 0 0 390.512 5.357 50 30 GKEARN COc1ccccc1N(CCC#N)C(=O)CSc1cc(Cl)ccc1Cl ZINC000002626103 524529006 /nfs/dbraw/zinc/52/90/06/524529006.db2.gz YUHLJBYVMVIBRQ-UHFFFAOYSA-N 0 0 395.311 5.041 50 30 GKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)c1 ZINC000102884594 524531841 /nfs/dbraw/zinc/53/18/41/524531841.db2.gz HGJRIYVIAIVCTE-MXTUDFRFSA-N 0 0 395.458 5.178 50 30 GKEARN Cc1cccc(N2C(=S)N=C(Nc3ccccc3C)[C@@]23CCOC(C)(C)C3)c1 ZINC000017147270 524535640 /nfs/dbraw/zinc/53/56/40/524535640.db2.gz OFSZASWJBNBWLR-QHCPKHFHSA-N 0 0 393.556 5.467 50 30 GKEARN Cc1ccccc1/C=C\C(=O)c1c(C)nc2ccccc2c1-c1ccc(Cl)cc1 ZINC000096265984 534794295 /nfs/dbraw/zinc/79/42/95/534794295.db2.gz XQLNQSPNEPHWNH-SSZFMOIBSA-N 0 0 397.905 7.068 50 30 GKEARN Cc1ccccc1NC1=NC(=S)N(c2ccc(Cl)cc2)C12CCCCC2 ZINC000009434745 534795389 /nfs/dbraw/zinc/79/53/89/534795389.db2.gz SGYOFYYJGOYQGX-UHFFFAOYSA-N 0 0 383.948 5.776 50 30 GKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000034378414 524917495 /nfs/dbraw/zinc/91/74/95/524917495.db2.gz AEASYVZYAQJXBT-DEMHQBCASA-N 0 0 395.458 5.178 50 30 GKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000001759655 534819701 /nfs/dbraw/zinc/81/97/01/534819701.db2.gz WROZZYFYCZVUFR-XMHGGMMESA-N 0 0 389.838 5.264 50 30 GKEARN Cc1ccccc1/C=C/C(=O)c1c(=O)n(C)c2ccccc2c1-c1ccccc1 ZINC000069351891 525040660 /nfs/dbraw/zinc/04/06/60/525040660.db2.gz FVMSSUALMMABKF-WUKNDPDISA-N 0 0 379.459 5.410 50 30 GKEARN Cc1ccccc1NN=C(N=Nc1nc2ccccc2s1)c1ccccc1O ZINC000013600738 525041708 /nfs/dbraw/zinc/04/17/08/525041708.db2.gz KLXUPQKIIDXUHO-SVTQBPDFSA-N 0 0 387.468 5.290 50 30 GKEARN Cc1ccccc1/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000003117315 525042100 /nfs/dbraw/zinc/04/21/00/525042100.db2.gz JHCJVLGLFUXWGL-ZMOGYAJESA-N 0 0 384.262 6.272 50 30 GKEARN Cc1ccc(NC(=O)ONC(=N)C(c2ccccc2)c2ccccc2)cc1Cl ZINC000006550668 525187774 /nfs/dbraw/zinc/18/77/74/525187774.db2.gz ZZYDCZFYMVMBPH-UHFFFAOYSA-N 0 0 393.874 5.301 50 30 GKEARN Cc1ccc(NC(=O)[C@@H](Nc2ccc(CC#N)cc2)c2ccccc2)cc1Cl ZINC000015499118 525197023 /nfs/dbraw/zinc/19/70/23/525197023.db2.gz UXMYJPIGZXDILU-QFIPXVFZSA-N 0 0 389.886 5.506 50 30 GKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(-c4ccccc4)cnn32)cc1 ZINC000072333077 525227466 /nfs/dbraw/zinc/22/74/66/525227466.db2.gz ISOQFAIBTNAITN-HSZRJFAPSA-N 0 0 399.494 5.217 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000018106983 525232293 /nfs/dbraw/zinc/23/22/93/525232293.db2.gz JPSRTIPVKBXNMI-BVZFJXPGSA-N 0 0 397.478 5.070 50 30 biogenic,in-vitro GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000018123017 525233409 /nfs/dbraw/zinc/23/34/09/525233409.db2.gz LVFBSAHSTUIEHZ-SIBVEZHUSA-N 0 0 396.490 5.675 50 30 GKEARN COc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000005540841 525261561 /nfs/dbraw/zinc/26/15/61/525261561.db2.gz JAWNGGCVNXIWKM-KOYYFNRMSA-N 0 0 385.463 5.368 50 30 GKEARN Cc1ccc(NC(=S)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)cc1 ZINC000002938153 525267340 /nfs/dbraw/zinc/26/73/40/525267340.db2.gz MBTVUCNBFGPEIK-JSAVKQRWSA-N 0 0 397.547 6.064 50 30 GKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)cc1OC ZINC000012371282 525281730 /nfs/dbraw/zinc/28/17/30/525281730.db2.gz FULVUKFWGMCSLL-HSZRJFAPSA-N 0 0 385.463 5.422 50 30 GKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(O)c1 ZINC000100689265 525342887 /nfs/dbraw/zinc/34/28/87/525342887.db2.gz ZNMQEQKJBBXSQE-FLFQWRMESA-N 0 0 393.556 5.981 50 30 GKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(-c4ccccc4)cnn32)cc1 ZINC000072333076 525391576 /nfs/dbraw/zinc/39/15/76/525391576.db2.gz ISOQFAIBTNAITN-QHCPKHFHSA-N 0 0 399.494 5.217 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1 ZINC000020732277 525401057 /nfs/dbraw/zinc/40/10/57/525401057.db2.gz FCNAYAICRQMOHO-FOIQADDNSA-N 0 0 392.480 5.011 50 30 GKEARN Cc1[nH]c2ccccc2c1/C=C1\N=C(SCc2ccccc2Cl)SC1=O ZINC000015016460 525433378 /nfs/dbraw/zinc/43/33/78/525433378.db2.gz HQDJOFRVDKVSJK-ZDLGFXPLSA-N 0 0 398.940 6.033 50 30 GKEARN Cc1cccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc12 ZINC000004024661 525452494 /nfs/dbraw/zinc/45/24/94/525452494.db2.gz GPCSHVDANKFUHN-DHRITJCHSA-N 0 0 393.849 5.653 50 30 GKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000012371418 525452949 /nfs/dbraw/zinc/45/29/49/525452949.db2.gz CJNARFWTZFZHOB-ODLFYWEKSA-N 0 0 379.393 5.193 50 30 GKEARN Cc1ccc(Oc2ncccc2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000003105128 525478961 /nfs/dbraw/zinc/47/89/61/525478961.db2.gz QUNJCTKTIKKJHQ-WYMPLXKRSA-N 0 0 387.266 6.040 50 30 GKEARN Cc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc(C)c1O ZINC000019569935 525487187 /nfs/dbraw/zinc/48/71/87/525487187.db2.gz KREDMCGDINHIFH-IRLDBZIGSA-N 0 0 399.490 5.051 50 30 GKEARN COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)CC[C@@H]12 ZINC000019834132 525533425 /nfs/dbraw/zinc/53/34/25/525533425.db2.gz CZUYRYFVJAOCAN-QVJHRNDBSA-N 0 0 386.535 6.204 50 30 GKEARN COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccccc3)CC[C@@H]12 ZINC000019834128 525533485 /nfs/dbraw/zinc/53/34/85/525533485.db2.gz CZUYRYFVJAOCAN-TYHXXCJYSA-N 0 0 386.535 6.204 50 30 GKEARN Cc1cc2c(cc1C)NC1(CCCCCC1)C(=NCc1ccc3c(c1)OCO3)N2 ZINC000046153048 525592272 /nfs/dbraw/zinc/59/22/72/525592272.db2.gz IUCFDBHSUVWEKT-UHFFFAOYSA-N 0 0 391.515 5.561 50 30 biogenic GKEARN Cc1nc(/C=C/c2cccc(C#N)c2)sc1C(=O)/C=C/c1cccc(C#N)c1 ZINC000058367090 534868215 /nfs/dbraw/zinc/86/82/15/534868215.db2.gz WFJGFTZVNVGONM-GFULKKFKSA-N 0 0 381.460 5.261 50 30 GKEARN Cc1ccc(Sc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 ZINC000006031481 525670739 /nfs/dbraw/zinc/67/07/39/525670739.db2.gz OHPCVGDLVBGBEP-YBFXNURJSA-N 0 0 398.400 5.002 50 30 GKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4cccc(Cl)c4)o3)o2)cc1 ZINC000005543133 525742363 /nfs/dbraw/zinc/74/23/63/525742363.db2.gz GSHMEAXBVJIYTK-PKNBQFBNSA-N 0 0 388.850 7.065 50 30 GKEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 ZINC000015016513 525750961 /nfs/dbraw/zinc/75/09/61/525750961.db2.gz CCYJTQFYWJIIFW-ZSOIEALJSA-N 0 0 397.714 5.847 50 30 GKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000004828787 525773219 /nfs/dbraw/zinc/77/32/19/525773219.db2.gz LQRKCQKFOLAWRN-ZVHZXABRSA-N 0 0 388.858 5.405 50 30 GKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Cl)cc3Cl)n2)cc1 ZINC000013408204 525778067 /nfs/dbraw/zinc/77/80/67/525778067.db2.gz OQXDBNYUGRKMBO-JLPGSUDCSA-N 0 0 387.295 5.765 50 30 GKEARN Cc1ccc(-c2csc(N=NCc3cc(Br)ccc3O)n2)cc1 ZINC000004551233 525781196 /nfs/dbraw/zinc/78/11/96/525781196.db2.gz JYJATPAAPVRCEY-DJKKODMXSA-N 0 0 388.290 5.033 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O ZINC000013769801 525815624 /nfs/dbraw/zinc/81/56/24/525815624.db2.gz XOBPTMAPVIEWKG-ODLFYWEKSA-N 0 0 382.868 5.905 50 30 GKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O ZINC000013787056 525816902 /nfs/dbraw/zinc/81/69/02/525816902.db2.gz OBQJOJUDMKDOKO-WQRHYEAKSA-N 0 0 380.396 5.031 50 30 GKEARN Cc1ccsc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017167345 525817252 /nfs/dbraw/zinc/81/72/52/525817252.db2.gz JJYQYCVZTMFVCR-XKZIYDEJSA-N 0 0 386.586 5.810 50 30 GKEARN Cc1ccc(-c2nc3c4ccccc4ccn3c2C(=O)/C=C\c2cccs2)cc1 ZINC000097361911 525820038 /nfs/dbraw/zinc/82/00/38/525820038.db2.gz BEGPUASCUUDONL-SEYXRHQNSA-N 0 0 394.499 6.421 50 30 GKEARN Cc1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1 ZINC000102417485 525824432 /nfs/dbraw/zinc/82/44/32/525824432.db2.gz HOFZDBKZJNRLAA-YDZHTSKRSA-N 0 0 391.268 6.316 50 30 GKEARN Cc1ccc(-c2nc3sccn3c2/C=N/OCc2c(F)cccc2Cl)cc1 ZINC000004003177 525827086 /nfs/dbraw/zinc/82/70/86/525827086.db2.gz AYULTHADSBBCGS-FOKLQQMPSA-N 0 0 399.878 5.714 50 30 GKEARN COc1cccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000004833957 525840596 /nfs/dbraw/zinc/84/05/96/525840596.db2.gz FZEWTRPDYDKGRL-YRNVUSSQSA-N 0 0 394.373 5.089 50 30 GKEARN Cc1c2cc(Cl)ccc2sc1C(=O)C(C#N)=NNc1ccc(C(C)C)cc1 ZINC000002153912 525954078 /nfs/dbraw/zinc/95/40/78/525954078.db2.gz SNJKUDPDAURLHR-XIEYBQDHSA-N 0 0 395.915 6.161 50 30 GKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)o1 ZINC000013768451 525959513 /nfs/dbraw/zinc/95/95/13/525959513.db2.gz ZMFJYKQJYBGROF-ODLFYWEKSA-N 0 0 380.783 5.077 50 30 GKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)c(C)c1 ZINC000003112616 525968019 /nfs/dbraw/zinc/96/80/19/525968019.db2.gz NSSJQJVLELZIBJ-WPWMEQJKSA-N 0 0 379.459 6.426 50 30 GKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000017919625 525968057 /nfs/dbraw/zinc/96/80/57/525968057.db2.gz QTXDIXIFZISQRF-BKHCZYBLSA-N 0 0 381.306 7.111 50 30 GKEARN Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1C ZINC000017023243 525968806 /nfs/dbraw/zinc/96/88/06/525968806.db2.gz ITBKMMTZWKUKGM-DHRITJCHSA-N 0 0 398.289 6.580 50 30 GKEARN Cc1ccc(C(=O)C=CNc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 ZINC000002792075 526015476 /nfs/dbraw/zinc/01/54/76/526015476.db2.gz XGLFVKFBSKDFTK-ZHACJKMWSA-N 0 0 386.423 5.528 50 30 GKEARN Cc1cc(-c2ccccc2)sc1C(=O)Cc1nc2cc(Cl)ccc2oc1=O ZINC000100820675 526044143 /nfs/dbraw/zinc/04/41/43/526044143.db2.gz VKXCBGPLYZVKQW-LFIBNONCSA-N 0 0 395.867 5.475 50 30 GKEARN Cc1cc(/N=C/c2ccc(Cl)cc2)c(/N=C/c2ccc(Cl)cc2)cc1C ZINC000017004779 526099186 /nfs/dbraw/zinc/09/91/86/526099186.db2.gz HTRIWMYBNMNFQO-BKHCZYBLSA-N 0 0 381.306 7.111 50 30 GKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)C(C)(C)C)[C@@H](c2ccccc2)C1(C#N)C#N ZINC000169619845 526145702 /nfs/dbraw/zinc/14/57/02/526145702.db2.gz JWDRLCSIVQWUDO-YTFSRNRJSA-N 0 0 395.506 5.012 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009554153 526173916 /nfs/dbraw/zinc/17/39/16/526173916.db2.gz UPSGOGQPPFIFLB-HSZRJFAPSA-N 0 0 375.516 5.283 50 30 GKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccco1 ZINC000017015518 526209382 /nfs/dbraw/zinc/20/93/82/526209382.db2.gz CDCCTBKHXGWFTL-VOIUYBSRSA-N 0 0 398.462 5.346 50 30 GKEARN C[C@@H]1CC/C(=C\c2ccc3ccccc3c2)C(=O)/C1=C/c1ccc2ccccc2c1 ZINC000102265881 526233003 /nfs/dbraw/zinc/23/30/03/526233003.db2.gz QNLVDFIRFSFTSB-MSAJQZRRSA-N 0 0 388.510 7.459 50 30 GKEARN Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000005617849 526236833 /nfs/dbraw/zinc/23/68/33/526236833.db2.gz FDJQKCHTNAWAAI-AGIZDPOVSA-N 0 0 387.454 5.807 50 30 GKEARN Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000005617815 526237074 /nfs/dbraw/zinc/23/70/74/526237074.db2.gz FDJQKCHTNAWAAI-MIHXGWCRSA-N 0 0 387.454 5.807 50 30 GKEARN Cc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000005617841 526237272 /nfs/dbraw/zinc/23/72/72/526237272.db2.gz FDJQKCHTNAWAAI-UXHOKJDVSA-N 0 0 387.454 5.807 50 30 GKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)cc1 ZINC000004118232 526238094 /nfs/dbraw/zinc/23/80/94/526238094.db2.gz WNDPUZGRKXXECD-CAOOACKPSA-N 0 0 384.475 6.234 50 30 GKEARN COc1cccc(Oc2ccc(NC(C)=CC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000006021296 526241231 /nfs/dbraw/zinc/24/12/31/526241231.db2.gz QQECFUPSZJNCGJ-JQIJEIRASA-N 0 0 393.870 6.340 50 30 GKEARN Cc1ccc2nc(/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1 ZINC000002208329 526242944 /nfs/dbraw/zinc/24/29/44/526242944.db2.gz ZYZWDUUUTWFRTP-MFKUBSTISA-N 0 0 394.503 6.208 50 30 GKEARN Cc1ccc2nc(C)c(C(=O)/C=C\c3ccccc3C)c(-c3ccccc3)c2c1 ZINC000096315869 526244773 /nfs/dbraw/zinc/24/47/73/526244773.db2.gz JZISEZBAMZRGNQ-PEZBUJJGSA-N 0 0 377.487 6.723 50 30 GKEARN Fc1c(F)c(F)c(-c2c(F)c(F)c(Br)c(F)c2F)c(F)c1F ZINC000097949412 526291876 /nfs/dbraw/zinc/29/18/76/526291876.db2.gz LIEUYSNHMAGQQH-UHFFFAOYSA-N 0 0 395.018 5.368 50 30 GKEARN Fc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(F)F ZINC000095681774 526292129 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S=c1[n-]nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002359624 526386720 /nfs/dbraw/zinc/38/67/20/526386720.db2.gz IGLBTJHGLOHLBO-HZHRSRAPSA-N 0 0 386.480 5.069 50 30 GKEARN N#CC(=NNc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 ZINC000017156734 526428320 /nfs/dbraw/zinc/42/83/20/526428320.db2.gz IKDZPZGKYGQABF-IWIPYMOSSA-N 0 0 391.258 5.596 50 30 GKEARN O=C(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1cccs1 ZINC000001086642 526438262 /nfs/dbraw/zinc/43/82/62/526438262.db2.gz GUDZXBFUZWQQKA-FSJBWODESA-N 0 0 375.371 5.737 50 30 GKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccc(Cl)c1 ZINC000013773858 526447231 /nfs/dbraw/zinc/44/72/31/526447231.db2.gz CWKQCIOYCTWPFC-MOSHPQCFSA-N 0 0 392.863 5.889 50 30 GKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccnc1Cl ZINC000027527883 526447569 /nfs/dbraw/zinc/44/75/69/526447569.db2.gz RKCWBONJWAUHLA-PDGQHHTCSA-N 0 0 393.851 5.284 50 30 GKEARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)O/N=C/c1ccc(Cl)cc1 ZINC000002158746 526450105 /nfs/dbraw/zinc/45/01/05/526450105.db2.gz 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O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)cc1 ZINC000100505826 527343885 /nfs/dbraw/zinc/34/38/85/527343885.db2.gz KRQGRPXMPSRDFF-CGIFWJFOSA-N 0 0 387.370 5.958 50 30 GKEARN O=[N+]([O-])c1ccc(N=NC(=CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004947331 527357959 /nfs/dbraw/zinc/35/79/59/527357959.db2.gz DOFSKZGGZIADCE-QDRLFBGFSA-N 0 0 388.383 5.033 50 30 GKEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c1 ZINC000004365200 527381633 /nfs/dbraw/zinc/38/16/33/527381633.db2.gz ZKIDVRIZBRRHGF-JJIBRWJFSA-N 0 0 383.407 6.027 50 30 GKEARN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000002756725 527395390 /nfs/dbraw/zinc/39/53/90/527395390.db2.gz RUBGVKAZSUZHCB-SWHXDCQXSA-N 0 0 383.407 5.743 50 30 GKEARN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000100502871 527396317 /nfs/dbraw/zinc/39/63/17/527396317.db2.gz YXJNLFOSNVMFJX-HRLJDNPUSA-N 0 0 387.370 5.958 50 30 GKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1 ZINC000012350215 527537741 /nfs/dbraw/zinc/53/77/41/527537741.db2.gz RQZFRMOIDYEMKM-OYKKKHCWSA-N 0 0 377.900 6.453 50 30 GKEARN O=C(/C(=C/OCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000003290208 527591141 /nfs/dbraw/zinc/59/11/41/527591141.db2.gz DUZBZQOGDHTSLK-CAPFRKAQSA-N 0 0 397.301 6.520 50 30 GKEARN O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000004377888 527592284 /nfs/dbraw/zinc/59/22/84/527592284.db2.gz UIFBOEVRFGMANG-HKWRFOASSA-N 0 0 380.365 5.855 50 30 GKEARN O=C(C=CNc1cccc(Br)c1)c1ccc(Br)cc1 ZINC000032100155 527598436 /nfs/dbraw/zinc/59/84/36/527598436.db2.gz RIMYXXXIHLQJRQ-CMDGGOBGSA-N 0 0 381.067 5.020 50 30 GKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000005031225 527602560 /nfs/dbraw/zinc/60/25/60/527602560.db2.gz AMUFVGLELAQVAV-RMKNXTFCSA-N 0 0 388.206 6.058 50 30 GKEARN O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(NC2=NCCCS2)cc1 ZINC000006366523 527607395 /nfs/dbraw/zinc/60/73/95/527607395.db2.gz AROGRRNGUFWYIC-WEVVVXLNSA-N 0 0 391.323 5.794 50 30 GKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000006344039 527607590 /nfs/dbraw/zinc/60/75/90/527607590.db2.gz GQGCIHXHBIVGCT-UKTHLTGXSA-N 0 0 397.257 6.109 50 30 GKEARN O=C(/C=C/c1ccc2c(c1)OCCCO2)c1ccccc1OCc1ccccc1 ZINC000004070533 527619549 /nfs/dbraw/zinc/61/95/49/527619549.db2.gz HHGJLRQHFMPWJB-ACCUITESSA-N 0 0 386.447 5.323 50 30 GKEARN O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)cc1 ZINC000006338499 527625856 /nfs/dbraw/zinc/62/58/56/527625856.db2.gz IVSYWRJGVPHONJ-MDWZMJQESA-N 0 0 377.827 5.194 50 30 GKEARN O=C(/C=C/c1cccc2ccccc12)c1ccc(NC(=O)c2cccs2)cc1 ZINC000004828599 527628477 /nfs/dbraw/zinc/62/84/77/527628477.db2.gz UUBQOMGCLVHKDV-NTCAYCPXSA-N 0 0 383.472 6.050 50 30 GKEARN O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000016956352 527630043 /nfs/dbraw/zinc/63/00/43/527630043.db2.gz AIXXTYSNQRMLAS-LJJIPZOBSA-N 0 0 399.421 5.008 50 30 GKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009340525 527633594 /nfs/dbraw/zinc/63/35/94/527633594.db2.gz MEDCPANRTUZFKJ-TXTIWSOFSA-N 0 0 386.378 5.061 50 30 GKEARN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1 ZINC000006829391 527633604 /nfs/dbraw/zinc/63/36/04/527633604.db2.gz LUSURHMWGBHVGB-SYDKJXQISA-N 0 0 394.426 5.948 50 30 GKEARN O=C(/C=C/c1ccccc1Cl)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC000002707050 527635237 /nfs/dbraw/zinc/63/52/37/527635237.db2.gz JSYRFZOWNMQQCD-KBUKTMQNSA-N 0 0 379.818 5.849 50 30 biogenic,in-vitro GKEARN O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccccc1OCc1ccccc1 ZINC000004193807 527650127 /nfs/dbraw/zinc/65/01/27/527650127.db2.gz JGWCRYINLGVOEW-FOCLMDBBSA-N 0 0 397.499 6.285 50 30 GKEARN O=C(/C=C\c1ccccc1OC(=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000096600588 527658069 /nfs/dbraw/zinc/65/80/69/527658069.db2.gz GZWZUJVCFCVHSH-KAMYIIQDSA-N 0 0 386.378 5.687 50 30 GKEARN O=C(/C=C\c1ccccc1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 ZINC000034701687 527658238 /nfs/dbraw/zinc/65/82/38/527658238.db2.gz LUSURHMWGBHVGB-PFWKHLNASA-N 0 0 394.426 5.948 50 30 GKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS ZINC000095681693 527662066 /nfs/dbraw/zinc/66/20/66/527662066.db2.gz GTPHVVCYEWPQFE-UHFFFAOYSA-N 0 0 380.169 5.045 50 30 GKEARN O=C(C/C=N/OCc1c(F)cccc1Cl)c1cc(Cl)sc1Cl ZINC000004013616 527671263 /nfs/dbraw/zinc/67/12/63/527671263.db2.gz GFJQBSIDTQFCDU-PTXOJBNSSA-N 0 0 380.655 5.623 50 30 GKEARN FC(F)(F)c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000015012185 527684376 /nfs/dbraw/zinc/68/43/76/527684376.db2.gz VLIBQVOSMRGKBJ-FOKLQQMPSA-N 0 0 387.386 6.021 50 30 GKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl ZINC000098019752 528120497 /nfs/dbraw/zinc/12/04/97/528120497.db2.gz UGSJFOLKMBRZMI-UHFFFAOYSA-N 0 0 375.944 6.122 50 30 GKEARN CCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000097942932 528121607 /nfs/dbraw/zinc/12/16/07/528121607.db2.gz XEJTUYLFPHAGHX-UHFFFAOYSA-N 0 0 379.566 5.881 50 30 GKEARN CCCCCCCCCC(=O)NCc1ccc(-c2ccccc2)c2ccncc12 ZINC000098020144 528121831 /nfs/dbraw/zinc/12/18/31/528121831.db2.gz ZCJUVSWXDZVXHC-UHFFFAOYSA-N 0 0 388.555 6.659 50 30 GKEARN CCCCCCCCCCSCC(=O)Nc1ccc(Br)cc1 ZINC000098023182 528126090 /nfs/dbraw/zinc/12/60/90/528126090.db2.gz MEWRLJLWRRARRS-UHFFFAOYSA-N 0 0 386.399 6.262 50 30 GKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 ZINC000097940017 528134156 /nfs/dbraw/zinc/13/41/56/528134156.db2.gz TVQIWNRCMAWWKS-HXUWFJFHSA-N 0 0 395.543 5.925 50 30 GKEARN CCCOc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1 ZINC000006246247 528643414 /nfs/dbraw/zinc/64/34/14/528643414.db2.gz WWANTYYPCDFSEN-SILNSSARSA-N 0 0 384.435 5.435 50 30 GKEARN CCCCOc1ccc(C(=O)O/N=C2\CCCc3cc(OC)c(C)cc32)cc1 ZINC000005298422 528668746 /nfs/dbraw/zinc/66/87/46/528668746.db2.gz GEWZMWOLROMIPZ-DARPEHSRSA-N 0 0 381.472 5.080 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccccc1Cl ZINC000095482961 528878702 /nfs/dbraw/zinc/87/87/02/528878702.db2.gz WOUVTKDIPNMELY-FPOVZHCZSA-N 0 0 389.882 5.382 50 30 GKEARN FC(F)(F)c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Br ZINC000169725653 570784768 /nfs/dbraw/zinc/78/47/68/570784768.db2.gz UHEBGNRDYXXOQE-UHFFFAOYSA-N 0 0 391.027 5.340 50 30 GKEARN C(#Cc1c2ccccc2c(C#Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000002167088 560186552 /nfs/dbraw/zinc/18/65/52/560186552.db2.gz ZHBOFZNNPZNWGB-UHFFFAOYSA-N 0 0 378.474 6.793 50 30 in-vitro GKEARN Cc1cc(Br)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 ZINC000005930700 560203827 /nfs/dbraw/zinc/20/38/27/560203827.db2.gz MKODFMNTDYAPSG-UHFFFAOYSA-N 0 0 394.276 5.215 50 30 in-vitro GKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCCC ZINC000006920420 560206634 /nfs/dbraw/zinc/20/66/34/560206634.db2.gz ZYURHZPYMFLWSH-UHFFFAOYSA-N 0 0 394.772 11.169 50 30 biogenic,in-vitro GKEARN CCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000008022561 560206685 /nfs/dbraw/zinc/20/66/85/560206685.db2.gz TWJJFOWLTIEYFO-UHFFFAOYSA-N 0 0 391.596 6.238 50 30 in-vitro GKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000000629515 570211757 /nfs/dbraw/zinc/21/17/57/570211757.db2.gz JGLMCEREXQUKPR-UHFFFAOYSA-N 0 0 383.919 5.313 50 30 GKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000682625 570217475 /nfs/dbraw/zinc/21/74/75/570217475.db2.gz UBDXRYCEMPVNBE-XMMPIXPASA-N 0 0 389.543 5.755 50 30 biogenic GKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000000720483 570220045 /nfs/dbraw/zinc/22/00/45/570220045.db2.gz VWTJBNWEENSQDU-LFVRLGFBSA-N 0 0 390.483 5.867 50 30 GKEARN CCCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@@H](c2ccccc2)CC1=O ZINC000000721593 570220463 /nfs/dbraw/zinc/22/04/63/570220463.db2.gz ZSKGYVWJEFWBIQ-OAQYLSRUSA-N 0 0 383.491 6.022 50 30 GKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)c(C)c3)nc2c1 ZINC000000725411 570220819 /nfs/dbraw/zinc/22/08/19/570220819.db2.gz UHFVYVNPWLLVJB-WYMPLXKRSA-N 0 0 376.843 6.221 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1[N+](=O)[O-])Nc1cc3ccccc3cc12 ZINC000000727424 570221458 /nfs/dbraw/zinc/22/14/58/570221458.db2.gz VICGYDVSIBUOFV-XMMPIXPASA-N 0 0 398.462 6.058 50 30 GKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000816091 570224877 /nfs/dbraw/zinc/22/48/77/570224877.db2.gz YUTDNEPKVJJKKW-OAQYLSRUSA-N 0 0 397.902 5.558 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCOCC2)cc1 ZINC000048253035 570227112 /nfs/dbraw/zinc/22/71/12/570227112.db2.gz YMYNOZINEWLNKX-PKNBQFBNSA-N 0 0 393.870 5.333 50 30 GKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc2ccccc21 ZINC000000977549 570232976 /nfs/dbraw/zinc/23/29/76/570232976.db2.gz FHLYXDFQQCFEEU-UHFFFAOYSA-N 0 0 377.443 5.710 50 30 GKEARN COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)c1 ZINC000011614206 570235425 /nfs/dbraw/zinc/23/54/25/570235425.db2.gz ZDENFGIODJUVSQ-XDJHFCHBSA-N 0 0 385.419 5.269 50 30 GKEARN O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccccc1O ZINC000001470839 570236417 /nfs/dbraw/zinc/23/64/17/570236417.db2.gz LNZUWJPUMJSHIF-LPYMAVHISA-N 0 0 380.241 5.136 50 30 GKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3F)o2)SC1=S ZINC000012343707 570237104 /nfs/dbraw/zinc/23/71/04/570237104.db2.gz DIPDXASSSIBZIR-OQLLNIDSSA-N 0 0 379.865 5.126 50 30 GKEARN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C(F)(F)F)cc3)nc1-2 ZINC000001043265 570238028 /nfs/dbraw/zinc/23/80/28/570238028.db2.gz LPTAARGWKWKRMF-BHGWPJFGSA-N 0 0 388.414 5.687 50 30 GKEARN Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2C(=O)c2ccccc2)cc1 ZINC000006047718 570239170 /nfs/dbraw/zinc/23/91/70/570239170.db2.gz OCBLKBFNFPDHHW-WUKNDPDISA-N 0 0 392.458 5.308 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001102348 570242069 /nfs/dbraw/zinc/24/20/69/570242069.db2.gz PRDXGRWAMLLMHF-HSZRJFAPSA-N 0 0 399.450 5.453 50 30 GKEARN C=CCN(C(=O)[C@@H]1Cc2ccccc2S1)c1nc(-c2ccccc2)cs1 ZINC000014055278 570243294 /nfs/dbraw/zinc/24/32/94/570243294.db2.gz PDPSIEGIRUGHMK-IBGZPJMESA-N 0 0 378.522 5.046 50 30 GKEARN C=CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N ZINC000016732270 570249689 /nfs/dbraw/zinc/24/96/89/570249689.db2.gz KPGXZIFOTCJDPU-UHFFFAOYSA-N 0 0 399.235 5.680 50 30 GKEARN CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000001157963 570250604 /nfs/dbraw/zinc/25/06/04/570250604.db2.gz ZTPQRAPCMROKJZ-AREMUKBSSA-N 0 0 396.534 6.215 50 30 GKEARN C=C(C)Cn1c2sc3c(c2c(=O)nc1Sc1ccc(C)cc1)CCCC3 ZINC000001016420 570251278 /nfs/dbraw/zinc/25/12/78/570251278.db2.gz VBCFCWVTSHRHEE-UHFFFAOYSA-N 0 0 382.554 5.373 50 30 GKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000001203949 570251719 /nfs/dbraw/zinc/25/17/19/570251719.db2.gz QIYXXLIOZPSGPR-UHFFFAOYSA-N 0 0 388.511 5.960 50 30 aggregator GKEARN C=CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002183049 570252825 /nfs/dbraw/zinc/25/28/25/570252825.db2.gz JLOGVCOQSWWOFI-UHFFFAOYSA-N 0 0 392.568 5.671 50 30 biogenic GKEARN COc1cccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1O ZINC000001508580 570253201 /nfs/dbraw/zinc/25/32/01/570253201.db2.gz HJVJZEYDDUPXRP-FSJBWODESA-N 0 0 378.815 5.613 50 30 GKEARN C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002452466 570253538 /nfs/dbraw/zinc/25/35/38/570253538.db2.gz AOBJMUNQVARRQQ-UHFFFAOYSA-N 0 0 391.584 6.338 50 30 GKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)c(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001182265 570255498 /nfs/dbraw/zinc/25/54/98/570255498.db2.gz BWYYBGXRSZADPH-QFIPXVFZSA-N 0 0 398.909 6.318 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)c(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001182264 570255571 /nfs/dbraw/zinc/25/55/71/570255571.db2.gz BWYYBGXRSZADPH-JOCHJYFZSA-N 0 0 398.909 6.318 50 30 GKEARN Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(C)(C)CC4=O)cc3)sc2c1 ZINC000001199757 570257237 /nfs/dbraw/zinc/25/72/37/570257237.db2.gz SQBOHGXDKYGTEK-UHFFFAOYSA-N 0 0 390.508 5.526 50 30 GKEARN Cc1ccc(/N=C/c2cccc(Br)c2)c(C(=O)c2ccccc2)c1 ZINC000001920196 570270183 /nfs/dbraw/zinc/27/01/83/570270183.db2.gz DYLVXAUYKMAWMW-OEAKJJBVSA-N 0 0 378.269 5.739 50 30 GKEARN CC(C)=NOC(=O)Nc1ccc(Cc2ccc(NC(=O)ON=C(C)C)cc2)cc1 ZINC000004775439 570270414 /nfs/dbraw/zinc/27/04/14/570270414.db2.gz UXIWTRMFQNBNBK-UHFFFAOYSA-N 0 0 396.447 5.166 50 30 GKEARN CC1CCN(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)CC1 ZINC000049640507 570271575 /nfs/dbraw/zinc/27/15/75/570271575.db2.gz ZMPIPJCBHRAQDJ-UHFFFAOYSA-N 0 0 398.359 5.361 50 30 GKEARN C=C[C@@H](C)C[C@@H](C)[C@H]1O[C@@H](c2ccccc2)OC[C@@H]1C1SCCCS1 ZINC000043763351 570271756 /nfs/dbraw/zinc/27/17/56/570271756.db2.gz JHSPSPUXFFWHNL-AFKBCAQJSA-N 0 0 378.603 5.761 50 30 GKEARN CCCCCCCCOP(=O)(CC(=O)N(C)C)OCCCCCCCC ZINC000101020650 570272342 /nfs/dbraw/zinc/27/23/42/570272342.db2.gz PDHZWRRGUNXYMB-UHFFFAOYSA-N 0 0 391.533 6.022 50 30 GKEARN CCCCCCCCCCCCCCCc1cccc(OCC(=O)OCC)c1 ZINC000101016204 570272365 /nfs/dbraw/zinc/27/23/65/570272365.db2.gz PISZURKEVBXQNK-UHFFFAOYSA-N 0 0 390.608 7.262 50 30 GKEARN CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCC ZINC000101019838 570272395 /nfs/dbraw/zinc/27/23/95/570272395.db2.gz PCPVQTNQMJCULF-UHFFFAOYSA-N 0 0 395.716 8.725 50 30 GKEARN C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC3=O)CC[C@@H]2C)O[C@@H](Sc2ccccc2)C1 ZINC000071786319 570272441 /nfs/dbraw/zinc/27/24/41/570272441.db2.gz BZZIHBDJKCVSRV-HLEJILCDSA-N 0 0 396.596 6.572 50 30 GKEARN CCCCCCCCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC ZINC000101019857 570272454 /nfs/dbraw/zinc/27/24/54/570272454.db2.gz NIHGZRLFETYPGP-UHFFFAOYSA-N 0 0 384.601 6.600 50 30 GKEARN CCCCCCCCOc1ccc(-c2ccc(Br)cc2F)cc1 ZINC000002049278 570272474 /nfs/dbraw/zinc/27/24/74/570272474.db2.gz GNHQJBAQBHWKSP-UHFFFAOYSA-N 0 0 379.313 6.995 50 30 GKEARN O=c1oc2ccccc2cc1-c1cccc(/N=C/c2c(O)ccc3ccccc32)c1 ZINC000002053264 570272562 /nfs/dbraw/zinc/27/25/62/570272562.db2.gz UYXNUKGMKUPRCL-JVWAILMASA-N 0 0 391.426 6.069 50 30 GKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000002055459 570272859 /nfs/dbraw/zinc/27/28/59/570272859.db2.gz GBBVONKEWZWGEI-FQEVSTJZSA-N 0 0 387.907 5.041 50 30 GKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000002062840 570273094 /nfs/dbraw/zinc/27/30/94/570273094.db2.gz XGDZABPTEJGZPS-UHFFFAOYSA-N 0 0 399.874 5.268 50 30 GKEARN Cc1ccc2sc(-c3ccc(/N=C/c4cccc(Cl)c4Cl)cc3)nc2c1 ZINC000002067324 570273185 /nfs/dbraw/zinc/27/31/85/570273185.db2.gz UUDLCQSPMJUFEG-WYMPLXKRSA-N 0 0 397.330 7.329 50 30 GKEARN C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000002677960 570273866 /nfs/dbraw/zinc/27/38/66/570273866.db2.gz MESAXWLEEXTUOR-ATPAHOSSSA-N 0 0 381.522 5.214 50 30 GKEARN CCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002086028 570274283 /nfs/dbraw/zinc/27/42/83/570274283.db2.gz GIWNXHQCBZTQGW-UHFFFAOYSA-N 0 0 378.969 6.933 50 30 GKEARN CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1C ZINC000002104162 570274898 /nfs/dbraw/zinc/27/48/98/570274898.db2.gz WIQUUXWEMMSTAY-WQRHYEAKSA-N 0 0 386.904 5.247 50 30 GKEARN CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C)C2 ZINC000002186025 570277904 /nfs/dbraw/zinc/27/79/04/570277904.db2.gz SKYFMMVJTMKZPD-LBPRGKRZSA-N 0 0 390.936 5.302 50 30 GKEARN C=CCN1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 ZINC000101226833 570281836 /nfs/dbraw/zinc/28/18/36/570281836.db2.gz XRJOFDSEIGPUQY-OQVOIMAYSA-N 0 0 396.519 5.740 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000002358440 570283907 /nfs/dbraw/zinc/28/39/07/570283907.db2.gz ATPKCTQVDWCBLS-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN C=CCN(C(=O)c1csc(-c2ccsc2)n1)c1nc2c(s1)CCCC2 ZINC000021598039 570285901 /nfs/dbraw/zinc/28/59/01/570285901.db2.gz FWDRGFUYBPDUPY-UHFFFAOYSA-N 0 0 387.555 5.040 50 30 GKEARN Cc1cccc(/C=N\c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O ZINC000100108633 570290366 /nfs/dbraw/zinc/29/03/66/570290366.db2.gz URXAHYOQAWYPDC-YSMPRRRNSA-N 0 0 378.431 6.413 50 30 GKEARN O=C1c2ccccc2C(Nc2ccc(OC(F)(F)F)cc2)=C1c1ccccc1 ZINC000002549977 570290642 /nfs/dbraw/zinc/29/06/42/570290642.db2.gz PJCPBWIXCGWHBG-UHFFFAOYSA-N 0 0 381.353 5.762 50 30 GKEARN Cc1cc(C)c(NC(=O)CNC(=O)c2cc3ccc(F)cc3nc2C)c(C)c1 ZINC000012918950 570293555 /nfs/dbraw/zinc/29/35/55/570293555.db2.gz NRAMACJJEFXCDZ-UHFFFAOYSA-N 0 0 379.435 5.200 50 30 GKEARN O=C1c2ccccc2/C(=N/c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004825642 570293958 /nfs/dbraw/zinc/29/39/58/570293958.db2.gz YVNJSZZFCPZYFB-OBOGJDLMSA-N 0 0 376.799 5.349 50 30 GKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000021660300 570294277 /nfs/dbraw/zinc/29/42/77/570294277.db2.gz HGEDOJKAJDKNKU-INIZCTEOSA-N 0 0 377.271 5.490 50 30 GKEARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CC/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000004826119 570294410 /nfs/dbraw/zinc/29/44/10/570294410.db2.gz YEAIIXWGVOJLAH-JOBJLJCHSA-N 0 0 396.330 6.554 50 30 GKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3)n2)c(Cl)c1 ZINC000004827550 570295077 /nfs/dbraw/zinc/29/50/77/570295077.db2.gz KUFZLSQDXDDSIO-ZMOGYAJESA-N 0 0 393.277 6.050 50 30 GKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1Cl ZINC000002695863 570295468 /nfs/dbraw/zinc/29/54/68/570295468.db2.gz KRNKMNMHCNTKFH-UFWORHAWSA-N 0 0 383.691 5.076 50 30 GKEARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C\C=C1C(=O)c2ccccc2C1=O ZINC000005580292 570296026 /nfs/dbraw/zinc/29/60/26/570296026.db2.gz MGZOKNHCACVLNG-RHMYBJFYSA-N 0 0 381.475 5.416 50 30 GKEARN CC[C@@H](C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002738391 570297372 /nfs/dbraw/zinc/29/73/72/570297372.db2.gz GKBLBLUMSHRFAY-MRVPVSSYSA-N 0 0 395.265 5.607 50 30 GKEARN Cc1cccc(C(C)C)c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002750782 570298268 /nfs/dbraw/zinc/29/82/68/570298268.db2.gz BJPPENABZUUINU-UHFFFAOYSA-N 0 0 395.265 5.525 50 30 GKEARN CCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000002818465 570304685 /nfs/dbraw/zinc/30/46/85/570304685.db2.gz LXUWBFKLIOOJMU-AREMUKBSSA-N 0 0 383.491 6.302 50 30 GKEARN Oc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 ZINC000002832066 570305645 /nfs/dbraw/zinc/30/56/45/570305645.db2.gz DWTLMIGAWJUELH-XUIWWLCJSA-N 0 0 392.458 6.266 50 30 GKEARN Cc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3C)cc2)cc1 ZINC000002842481 570307253 /nfs/dbraw/zinc/30/72/53/570307253.db2.gz BMPBLUSPLPGTSG-CZYCKNNWSA-N 0 0 388.514 7.472 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 ZINC000027664010 570308498 /nfs/dbraw/zinc/30/84/98/570308498.db2.gz XBDHSFPKBMYKOT-UHFFFAOYSA-N 0 0 383.900 5.813 50 30 GKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1 ZINC000027740368 570308793 /nfs/dbraw/zinc/30/87/93/570308793.db2.gz KLSORBUFTPAHMR-UHFFFAOYSA-N 0 0 377.509 5.777 50 30 GKEARN O=C(NC1CCCCC1)ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002901155 570317802 /nfs/dbraw/zinc/31/78/02/570317802.db2.gz KFKMKKZQZHOTSW-UHFFFAOYSA-N 0 0 391.298 5.805 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000006188350 570318899 /nfs/dbraw/zinc/31/88/99/570318899.db2.gz YRVXOSOINMTCFR-FQEVSTJZSA-N 0 0 389.838 5.123 50 30 GKEARN c1ccc(C(=NCCN=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000001601669 570323909 /nfs/dbraw/zinc/32/39/09/570323909.db2.gz FIGOKMMIHCSNRE-UHFFFAOYSA-N 0 0 388.514 6.062 50 30 GKEARN C=CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000002999522 570325439 /nfs/dbraw/zinc/32/54/39/570325439.db2.gz RFEJVTKUPWFYQJ-UHFFFAOYSA-N 0 0 384.859 5.033 50 30 GKEARN C=C(C)c1ccc(C(C)(C)NC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000000783598 570326334 /nfs/dbraw/zinc/32/63/34/570326334.db2.gz XNIUJNBFHCAGOF-UHFFFAOYSA-N 0 0 388.511 5.960 50 30 GKEARN COc1ccc([C@H]2CC(=O)C(c3ccccc3)=C(Nc3ccccc3)S2)cc1 ZINC000003052279 570327238 /nfs/dbraw/zinc/32/72/38/570327238.db2.gz VTOSBOIXMCTQIN-JOCHJYFZSA-N 0 0 387.504 5.923 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C2CCCCC2)cc1 ZINC000011690107 570328506 /nfs/dbraw/zinc/32/85/06/570328506.db2.gz SXCLTKFGJCJHMM-JQIJEIRASA-N 0 0 390.910 7.544 50 30 GKEARN CCCCCCCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C ZINC000003121709 570329333 /nfs/dbraw/zinc/32/93/33/570329333.db2.gz YYOCROVHZSOZKJ-NZQKXSOJSA-N 0 0 378.560 6.716 50 30 GKEARN N#C[C@@H](c1ccccc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000003133308 570329977 /nfs/dbraw/zinc/32/99/77/570329977.db2.gz SKRWCLXPEBYLAL-LBPRGKRZSA-N 0 0 381.279 5.323 50 30 GKEARN N#C[C@H](c1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000003133356 570330147 /nfs/dbraw/zinc/33/01/47/570330147.db2.gz ZRKYNGPRWDWZJQ-LJQANCHMSA-N 0 0 384.237 6.019 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000003147771 570330784 /nfs/dbraw/zinc/33/07/84/570330784.db2.gz GPHXFXSCEKRHEC-INIZCTEOSA-N 0 0 379.759 5.580 50 30 GKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000003147773 570331198 /nfs/dbraw/zinc/33/11/98/570331198.db2.gz DARAKBGXSWAPOM-INIZCTEOSA-N 0 0 379.759 5.580 50 30 GKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000003147774 570331263 /nfs/dbraw/zinc/33/12/63/570331263.db2.gz DARAKBGXSWAPOM-MRXNPFEDSA-N 0 0 379.759 5.580 50 30 GKEARN O/N=C(/c1ccccc1)c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000003185724 570331694 /nfs/dbraw/zinc/33/16/94/570331694.db2.gz BTWIEYKCQXBFKJ-JWKPFVQPSA-N 0 0 395.256 5.132 50 30 GKEARN CCCCCCCCN1C(=S)N=NC1COc1ccc(Br)cc1 ZINC000003259262 570334860 /nfs/dbraw/zinc/33/48/60/570334860.db2.gz IWMADDLLTQHYKL-UHFFFAOYSA-N 0 0 398.370 5.269 50 30 GKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000022975461 570339685 /nfs/dbraw/zinc/33/96/85/570339685.db2.gz WHSYIUXUKRXODP-UHFFFAOYSA-N 0 0 378.910 5.383 50 30 GKEARN N#Cc1c(C(=O)c2cccs2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000006242940 570347508 /nfs/dbraw/zinc/34/75/08/570347508.db2.gz OOHKTYBPEOOEMX-UHFFFAOYSA-N 0 0 389.867 5.357 50 30 GKEARN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCC2)C1=O ZINC000100288576 570349382 /nfs/dbraw/zinc/34/93/82/570349382.db2.gz KIDVENPRLZSWAT-BLFRMDKKSA-N 0 0 378.497 5.242 50 30 GKEARN COc1ccccc1NC=Cc1onc(-c2c(Cl)cccc2Cl)c1C#N ZINC000100296192 570350179 /nfs/dbraw/zinc/35/01/79/570350179.db2.gz HOMJNHWMNCYLRF-MDZDMXLPSA-N 0 0 386.238 5.611 50 30 GKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C12 ZINC000003684449 570350235 /nfs/dbraw/zinc/35/02/35/570350235.db2.gz TUYBNLOGQYRUGG-QFIPXVFZSA-N 0 0 375.880 6.207 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2C[C@@H](C)C[C@H](C)C2)c1CCC(C)C ZINC000004869586 570351481 /nfs/dbraw/zinc/35/14/81/570351481.db2.gz PZWQIBGAZCNSMO-ROUUACIJSA-N 0 0 388.559 5.739 50 30 GKEARN COc1ccccc1[C@H]1N(c2ccccc2)OC(=O)N1c1ccc(Cl)cc1 ZINC000006259553 570351779 /nfs/dbraw/zinc/35/17/79/570351779.db2.gz MODJJYIXHPUCDQ-HXUWFJFHSA-N 0 0 380.831 5.426 50 30 GKEARN C=CCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004883253 570356336 /nfs/dbraw/zinc/35/63/36/570356336.db2.gz BNGNBDXXYIRXQJ-PDGQHHTCSA-N 0 0 398.915 5.320 50 30 GKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000004074977 570356565 /nfs/dbraw/zinc/35/65/65/570356565.db2.gz TTXPQQKLSIZVJF-GYCJOSAFSA-N 0 0 386.451 5.268 50 30 GKEARN CCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000004889365 570356620 /nfs/dbraw/zinc/35/66/20/570356620.db2.gz OTYYFZLLXQGSDJ-SUOUMBACSA-N 0 0 393.527 6.120 50 30 GKEARN O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000100389535 570357176 /nfs/dbraw/zinc/35/71/76/570357176.db2.gz VUAZIAQMHKSEQZ-IVTNFPRSSA-N 0 0 382.916 5.887 50 30 GKEARN O=C1c2ccccc2[C@H]2S/C(=C\c3ccccc3)C(=O)c3ccsc3CN12 ZINC000004108858 570357758 /nfs/dbraw/zinc/35/77/58/570357758.db2.gz YOALXIDWTXMNLX-OFFMQOAPSA-N 0 0 389.501 5.373 50 30 GKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898413 570359161 /nfs/dbraw/zinc/35/91/61/570359161.db2.gz MZEUQPDYXQTRDH-AXMNZLFYSA-N 0 0 397.519 5.158 50 30 GKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000004897819 570359241 /nfs/dbraw/zinc/35/92/41/570359241.db2.gz OWXHCAALULOPQF-ILBGXUMGSA-N 0 0 382.463 5.494 50 30 GKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 ZINC000004199723 570362675 /nfs/dbraw/zinc/36/26/75/570362675.db2.gz HALYYPSSMMGSJS-AFMDSPMNSA-N 0 0 396.490 5.680 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(C(C)C)cc1 ZINC000004919090 570366120 /nfs/dbraw/zinc/36/61/20/570366120.db2.gz PFHATXYHMZUSRK-UPVQGACJSA-N 0 0 392.495 5.138 50 30 GKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1c(F)cccc1Cl ZINC000004920004 570366454 /nfs/dbraw/zinc/36/64/54/570366454.db2.gz BDBNDHWIWLHYRZ-IIBYNOLFSA-N 0 0 386.850 5.107 50 30 GKEARN CC(=O)[C@]12CC(C)=C(C)C[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913463 570366621 /nfs/dbraw/zinc/36/66/21/570366621.db2.gz DWXXDCFQXAHBDL-UYVWDJBWSA-N 0 0 394.599 6.450 50 30 GKEARN CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000118915861 570367295 /nfs/dbraw/zinc/36/72/95/570367295.db2.gz RVYRVPOBLIJZMR-HZSKKDISSA-N 0 0 394.603 6.207 50 30 GKEARN N=C(NOC(=O)c1sc2ccccc2c1Cl)c1c(Cl)cccc1Cl ZINC000004322587 570367896 /nfs/dbraw/zinc/36/78/96/570367896.db2.gz DLBYTAAIICTICY-UHFFFAOYSA-N 0 0 399.686 5.339 50 30 GKEARN Cc1nn(C)cc1/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118921971 570368094 /nfs/dbraw/zinc/36/80/94/570368094.db2.gz KVDDTNQRMJYZPQ-CCNZDMEYSA-N 0 0 380.576 5.724 50 30 GKEARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 ZINC000118928059 570368870 /nfs/dbraw/zinc/36/88/70/570368870.db2.gz BLUXDDQLXIXNPG-VVNOJODNSA-N 0 0 380.576 5.898 50 30 GKEARN Cc1ccc(C)n1-c1ccc(C=NNc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000004363050 570371020 /nfs/dbraw/zinc/37/10/20/570371020.db2.gz GNGLXGRIMWNCNB-BRJLIKDPSA-N 0 0 391.824 6.212 50 30 GKEARN C/C(=N\OC(=O)c1ccccc1Cl)c1sc2ccc(Cl)cc2c1C ZINC000004365628 570371028 /nfs/dbraw/zinc/37/10/28/570371028.db2.gz IIGPFAWJASXNAO-SRZZPIQSSA-N 0 0 378.280 6.098 50 30 GKEARN FC(F)(F)c1ccc(C=NNc2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000004389631 570373152 /nfs/dbraw/zinc/37/31/52/570373152.db2.gz AQFLNFFBDSRAJS-QPSGOUHRSA-N 0 0 390.217 6.068 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000004406264 570373706 /nfs/dbraw/zinc/37/37/06/570373706.db2.gz YTJHHAYQGFRZDT-JOCHJYFZSA-N 0 0 398.909 6.318 50 30 GKEARN C=CCOc1cc(N(CC)CC)ccc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000004457699 570375953 /nfs/dbraw/zinc/37/59/53/570375953.db2.gz KOKXKDZZNOWGSY-PCLIKHOPSA-N 0 0 393.556 5.660 50 30 GKEARN CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1c1ccc(Cl)cc1 ZINC000004475019 570376579 /nfs/dbraw/zinc/37/65/79/570376579.db2.gz VHZNKZYDSJVAGY-NMWGTECJSA-N 0 0 383.948 6.312 50 30 GKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000005775797 570380298 /nfs/dbraw/zinc/38/02/98/570380298.db2.gz QDCCZPQZONMYHG-JVWAILMASA-N 0 0 390.442 6.618 50 30 GKEARN COc1cccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c1 ZINC000050647523 570380646 /nfs/dbraw/zinc/38/06/46/570380646.db2.gz VZHBLBGSKFCAGF-ZHZULCJRSA-N 0 0 393.446 5.476 50 30 GKEARN Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2cccc3ccccc32)cc1 ZINC000004953988 570381214 /nfs/dbraw/zinc/38/12/14/570381214.db2.gz AYUAGQVQJFONOG-SVJCCZHLSA-N 0 0 387.508 5.002 50 30 GKEARN N#CCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccccc1 ZINC000004958596 570381595 /nfs/dbraw/zinc/38/15/95/570381595.db2.gz BRTUMLMKJRKYME-UHFFFAOYSA-N 0 0 389.886 5.327 50 30 GKEARN CCOc1ccc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000004523256 570381780 /nfs/dbraw/zinc/38/17/80/570381780.db2.gz OOFSHCOVDHANAX-PGMHBOJBSA-N 0 0 383.447 5.958 50 30 GKEARN COc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004543557 570383147 /nfs/dbraw/zinc/38/31/47/570383147.db2.gz XCPDYISMPLCKGJ-XMMPIXPASA-N 0 0 384.479 5.553 50 30 GKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 ZINC000004595639 570386693 /nfs/dbraw/zinc/38/66/93/570386693.db2.gz LFPIXOGEWFJVKC-PKAZHMFMSA-N 0 0 380.451 5.352 50 30 GKEARN CCCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004614130 570387694 /nfs/dbraw/zinc/38/76/94/570387694.db2.gz SRWVLYILVSBFJV-HSZRJFAPSA-N 0 0 376.500 5.697 50 30 GKEARN CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000135743924 570388139 /nfs/dbraw/zinc/38/81/39/570388139.db2.gz AGNGGBVHXRJUQV-GHTZIAJQSA-N 0 0 393.531 5.659 50 30 GKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCc1cccc2ccccc21 ZINC000526052518 570388221 /nfs/dbraw/zinc/38/82/21/570388221.db2.gz WYZLDCJRXRSLRG-UHFFFAOYSA-N 0 0 375.431 6.132 50 30 GKEARN Cc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000004649380 570389378 /nfs/dbraw/zinc/38/93/78/570389378.db2.gz DXVMHNVYAKISJL-WZZJWJHMSA-N 0 0 376.403 5.248 50 30 GKEARN CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1C ZINC000004660119 570390254 /nfs/dbraw/zinc/39/02/54/570390254.db2.gz SJYGYHRMWVBVQW-CFDZAGTRSA-N 0 0 386.904 5.281 50 30 GKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000004663273 570390659 /nfs/dbraw/zinc/39/06/59/570390659.db2.gz SFQFBJZKEKZFRQ-HSZRJFAPSA-N 0 0 394.902 5.647 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(F)cc4)c3c2C1 ZINC000004680383 570392513 /nfs/dbraw/zinc/39/25/13/570392513.db2.gz JWXYOWBUMUDXNB-ZXGJNYTGSA-N 0 0 396.535 5.818 50 30 GKEARN CCOc1cc(C=NNc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000004685356 570393221 /nfs/dbraw/zinc/39/32/21/570393221.db2.gz RJFQUEQTMNQGJL-BUVRLJJBSA-N 0 0 380.875 5.764 50 30 GKEARN O=C(Nc1cccc(Cl)c1)O/N=C1\C[C@H](c2ccccc2)Oc2ccccc21 ZINC000004697312 570394267 /nfs/dbraw/zinc/39/42/67/570394267.db2.gz DDTREYQIOMDWCG-MDVMQCDRSA-N 0 0 392.842 5.817 50 30 GKEARN C/C(=N\OC(=O)c1cc(Cl)cc(Cl)c1)c1cc(-c2ccccc2)no1 ZINC000004710155 570396918 /nfs/dbraw/zinc/39/69/18/570396918.db2.gz CFNBPCIACWAOOP-SRZZPIQSSA-N 0 0 375.211 5.229 50 30 GKEARN N#CC(=NNc1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 ZINC000005023068 570400158 /nfs/dbraw/zinc/40/01/58/570400158.db2.gz JQPDAHMANGTIME-XHPQRKPJSA-N 0 0 388.883 5.956 50 30 GKEARN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000004741867 570400932 /nfs/dbraw/zinc/40/09/32/570400932.db2.gz MGYNDEYVHHEBPN-FOKLQQMPSA-N 0 0 398.297 5.723 50 30 GKEARN C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCCCC3 ZINC000002892011 570402590 /nfs/dbraw/zinc/40/25/90/570402590.db2.gz JBPTZFNIGGDFSC-UHFFFAOYSA-N 0 0 396.581 5.595 50 30 GKEARN CCSC1=N/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)S1 ZINC000004755140 570403306 /nfs/dbraw/zinc/40/33/06/570403306.db2.gz BFZMADZCZMXHMQ-LCYFTJDESA-N 0 0 394.315 5.433 50 30 GKEARN CSC1=N/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(=O)S1 ZINC000004755352 570403342 /nfs/dbraw/zinc/40/33/42/570403342.db2.gz FJEXEWOMQAMFTD-GDNBJRDFSA-N 0 0 375.902 5.252 50 30 GKEARN Cc1cc2c(cc1C)N[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004759518 570404047 /nfs/dbraw/zinc/40/40/47/570404047.db2.gz UHXWIQLTTKLPLV-JOCHJYFZSA-N 0 0 380.919 6.179 50 30 GKEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000004809605 570406918 /nfs/dbraw/zinc/40/69/18/570406918.db2.gz FNYGJENOJHPYQU-LRTDBIEQSA-N 0 0 387.464 5.107 50 30 GKEARN CCCSC1=N/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)S1 ZINC000004915740 570418074 /nfs/dbraw/zinc/41/80/74/570418074.db2.gz SGFHJFRWJJPWOF-VBKFSLOCSA-N 0 0 391.602 6.101 50 30 GKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 ZINC000004919152 570418410 /nfs/dbraw/zinc/41/84/10/570418410.db2.gz IBNOZONAIUHATG-JXMROGBWSA-N 0 0 398.212 5.513 50 30 GKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)c1 ZINC000004973556 570420656 /nfs/dbraw/zinc/42/06/56/570420656.db2.gz MFAWMWGIMDIRIC-IQGLISFBSA-N 0 0 397.478 5.070 50 30 GKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)c1 ZINC000004973586 570420709 /nfs/dbraw/zinc/42/07/09/570420709.db2.gz QDEHNHMNTGVEFI-CJAUYULYSA-N 0 0 397.478 5.070 50 30 GKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)c1 ZINC000004973602 570420722 /nfs/dbraw/zinc/42/07/22/570420722.db2.gz BOFLPTBJGFKEOZ-GYCJOSAFSA-N 0 0 386.451 5.268 50 30 GKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004973553 570420759 /nfs/dbraw/zinc/42/07/59/570420759.db2.gz JIXXSAROIHSYJS-CMJOXMDJSA-N 0 0 390.870 5.913 50 30 GKEARN Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)o4)c(C)c3)cc2C)o1 ZINC000004991869 570422129 /nfs/dbraw/zinc/42/21/29/570422129.db2.gz WHRKXKWPBOYSEL-DPCVLPDWSA-N 0 0 396.490 7.274 50 30 GKEARN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000004990390 570422143 /nfs/dbraw/zinc/42/21/43/570422143.db2.gz KBEWMTALBWXCPI-ZXVVBBHZSA-N 0 0 378.475 6.760 50 30 GKEARN CC(Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)=C1C(=O)c2ccccc2C1=O ZINC000005129716 570422589 /nfs/dbraw/zinc/42/25/89/570422589.db2.gz BDXBMPRCMBYZKY-UHFFFAOYSA-N 0 0 391.511 5.752 50 30 GKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000006446324 570424195 /nfs/dbraw/zinc/42/41/95/570424195.db2.gz GOVLMAITRUNKFF-RCCKNPSSSA-N 0 0 386.476 5.157 50 30 GKEARN COc1ccccc1[C@@H]1c2c(ccc3ccccc32)NC2=C1C(=O)CC(C)(C)C2 ZINC000005049970 570426178 /nfs/dbraw/zinc/42/61/78/570426178.db2.gz IEQNQPUYIFTLSM-XMMPIXPASA-N 0 0 383.491 6.049 50 30 GKEARN O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000005050567 570426468 /nfs/dbraw/zinc/42/64/68/570426468.db2.gz SSFOOHAWZOBIOZ-NBVRZTHBSA-N 0 0 375.880 6.373 50 30 GKEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000005073298 570428111 /nfs/dbraw/zinc/42/81/11/570428111.db2.gz GRLSDDSZURUVOB-OVCLIPMQSA-N 0 0 393.280 5.924 50 30 GKEARN CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(C)cc2)C1=O ZINC000005093719 570428868 /nfs/dbraw/zinc/42/88/68/570428868.db2.gz ZTOJCHCQJGHBPP-BOPFTXTBSA-N 0 0 399.899 5.192 50 30 GKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000005092444 570428943 /nfs/dbraw/zinc/42/89/43/570428943.db2.gz WWAVCBOISREDOL-CJAUYULYSA-N 0 0 382.463 5.372 50 30 GKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000005100846 570429141 /nfs/dbraw/zinc/42/91/41/570429141.db2.gz SEONDMUAXCMQED-HSZRJFAPSA-N 0 0 392.474 5.379 50 30 GKEARN O=C(/C(=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1)c1ccccc1 ZINC000005102065 570429224 /nfs/dbraw/zinc/42/92/24/570429224.db2.gz XDTKSUPIIXUCLO-VKAVYKQESA-N 0 0 386.432 5.628 50 30 GKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 ZINC000005137232 570430458 /nfs/dbraw/zinc/43/04/58/570430458.db2.gz GBAAEFXMKIWZKF-SSOJOUAXSA-N 0 0 397.478 5.070 50 30 GKEARN Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000005218485 570431822 /nfs/dbraw/zinc/43/18/22/570431822.db2.gz RHZHUVHAOMPSGO-OAQYLSRUSA-N 0 0 384.882 6.009 50 30 GKEARN CCCSc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 ZINC000027748519 570442216 /nfs/dbraw/zinc/44/22/16/570442216.db2.gz MZHRRNDURDDFOR-UHFFFAOYSA-N 0 0 387.914 5.684 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(O)cc4)c3c2C1 ZINC000005501430 570442983 /nfs/dbraw/zinc/44/29/83/570442983.db2.gz JYOOGSJNUSSGLU-HURLIOHXSA-N 0 0 394.544 5.384 50 30 GKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(O)cc4)c3c2C1 ZINC000005501500 570443042 /nfs/dbraw/zinc/44/30/42/570443042.db2.gz JYOOGSJNUSSGLU-FCUAXUHVSA-N 0 0 394.544 5.384 50 30 GKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccncc4)c3c2C1 ZINC000005501462 570443154 /nfs/dbraw/zinc/44/31/54/570443154.db2.gz WVCPWVOBXUXRQP-HURLIOHXSA-N 0 0 379.533 5.073 50 30 GKEARN Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1Cl ZINC000003113881 570444259 /nfs/dbraw/zinc/44/42/59/570444259.db2.gz BPADUBGOOGMRJA-FSJBWODESA-N 0 0 383.303 7.021 50 30 GKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000006475793 570446420 /nfs/dbraw/zinc/44/64/20/570446420.db2.gz YRVXOSOINMTCFR-HXUWFJFHSA-N 0 0 389.838 5.123 50 30 GKEARN CCn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3Cl)o2)c(C)n1 ZINC000006490235 570449935 /nfs/dbraw/zinc/44/99/35/570449935.db2.gz ODLGQINEQPXHIR-BQYQJAHWSA-N 0 0 388.826 5.072 50 30 GKEARN CSc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000005669430 570450509 /nfs/dbraw/zinc/45/05/09/570450509.db2.gz DLDRECSRDVAEKT-FYJGNVAPSA-N 0 0 382.558 5.509 50 30 GKEARN COc1ccc(CN=Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000005670359 570450618 /nfs/dbraw/zinc/45/06/18/570450618.db2.gz GKDUCRRQXGELGU-YSURURNPSA-N 0 0 394.887 5.466 50 30 GKEARN Cc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 ZINC000001947840 570451044 /nfs/dbraw/zinc/45/10/44/570451044.db2.gz KAGKWKJKCRBIAP-OEAKJJBVSA-N 0 0 380.285 5.805 50 30 GKEARN O=[N+]([O-])c1ccc2c(c1)Cc1cc(/N=C/c3ccc(Br)cc3)ccc1-2 ZINC000001955724 570451150 /nfs/dbraw/zinc/45/11/50/570451150.db2.gz OVFLVKMXUBCXSV-WSDLNYQXSA-N 0 0 393.240 5.679 50 30 GKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)C12CCCCC2 ZINC000005705435 570452139 /nfs/dbraw/zinc/45/21/39/570452139.db2.gz JHIRGOQAGWKOIN-UHFFFAOYSA-N 0 0 397.975 6.084 50 30 GKEARN Cc1cccc(NC(=O)C2=CC(=O)C[C@H](c3ccc(Cl)cc3Cl)O2)c1C ZINC000005711202 570452175 /nfs/dbraw/zinc/45/21/75/570452175.db2.gz KJPHOXPHFAFMAH-GOSISDBHSA-N 0 0 390.266 5.163 50 30 GKEARN Cc1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCCC3)c(C)c1 ZINC000005798775 570457490 /nfs/dbraw/zinc/45/74/90/570457490.db2.gz LGADKDJUSZYKPK-UHFFFAOYSA-N 0 0 391.584 6.048 50 30 GKEARN N#CCCn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2ccccc21 ZINC000006506908 570460084 /nfs/dbraw/zinc/46/00/84/570460084.db2.gz BIYQUXBCGPXFAH-UHFFFAOYSA-N 0 0 388.474 6.279 50 30 GKEARN Cc1n[nH]c(=S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000006056456 570465468 /nfs/dbraw/zinc/46/54/68/570465468.db2.gz CMFDCNUOBRNPHW-AWQFTUOYSA-N 0 0 393.299 5.017 50 30 GKEARN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)O1 ZINC000329521062 570465876 /nfs/dbraw/zinc/46/58/76/570465876.db2.gz QOIKDOPVZJFEQT-MXASKKJJSA-N 0 0 398.425 5.161 50 30 GKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccccc1OC(F)F ZINC000006341275 570477370 /nfs/dbraw/zinc/47/73/70/570477370.db2.gz LWDFJZSOZBFKDJ-JIDPPIHHSA-N 0 0 378.374 5.688 50 30 GKEARN CCOC(=O)c1c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000005165294 570479107 /nfs/dbraw/zinc/47/91/07/570479107.db2.gz QYPLJUCMOWPCCO-BXQACYKASA-N 0 0 384.457 5.128 50 30 GKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000002027805 570488770 /nfs/dbraw/zinc/48/87/70/570488770.db2.gz PWAMURQPMFKAFK-UHFFFAOYSA-N 0 0 381.266 5.611 50 30 GKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3cccc(Cl)c3)o2)c1 ZINC000005173491 570492590 /nfs/dbraw/zinc/49/25/90/570492590.db2.gz JSBPGRFKSJLGOT-KEBDBYFISA-N 0 0 376.199 5.608 50 30 GKEARN COc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000005187176 570498267 /nfs/dbraw/zinc/49/82/67/570498267.db2.gz GTIPXSAFWBZYKD-SIBCGJTDSA-N 0 0 390.523 6.196 50 30 GKEARN CCOC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000002063999 570501617 /nfs/dbraw/zinc/50/16/17/570501617.db2.gz DCMCVIAOZNORSR-UHFFFAOYSA-N 0 0 388.492 5.251 50 30 GKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cc(Cl)ccc3Cl)o2)c(Cl)c1 ZINC000003087867 570502623 /nfs/dbraw/zinc/50/26/23/570502623.db2.gz LUWRKRFRRRDZGU-ZVBGSRNCSA-N 0 0 395.629 6.566 50 30 GKEARN c1sc(N=NCc2cccc(OCc3ccccc3)c2)nc1-c1ccccc1 ZINC000031854359 570506796 /nfs/dbraw/zinc/50/67/96/570506796.db2.gz MRZREOZKKIJMBM-IWIPYMOSSA-N 0 0 385.492 5.835 50 30 GKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1 ZINC000005214811 570512407 /nfs/dbraw/zinc/51/24/07/570512407.db2.gz JLODBLUMNHZMOL-ZRDIBKRKSA-N 0 0 393.269 7.303 50 30 GKEARN O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000005224696 570517396 /nfs/dbraw/zinc/51/73/96/570517396.db2.gz WTJPHGZNJHBNDA-DHRITJCHSA-N 0 0 398.289 6.436 50 30 GKEARN N#Cc1c2c(sc1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCCC2 ZINC000002892556 570521174 /nfs/dbraw/zinc/52/11/74/570521174.db2.gz HBBLCECUWFSMPT-DNTJNYDQSA-N 0 0 380.256 5.464 50 30 GKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Sc1cccc2cccnc21 ZINC000002948114 570523158 /nfs/dbraw/zinc/52/31/58/570523158.db2.gz OAVBOAUCTFAUHA-UHFFFAOYSA-N 0 0 377.284 5.961 50 30 GKEARN CN1C/C(=C/c2cccc3ccccc23)C(=O)/C(=C\c2cccc3ccccc23)C1 ZINC000033295156 570523616 /nfs/dbraw/zinc/52/36/16/570523616.db2.gz OEDJFAJIJMSAON-YFJQDTPYSA-N 0 0 389.498 5.975 50 30 GKEARN FC(F)(F)c1cnc(C/C=N\OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000005248743 570525024 /nfs/dbraw/zinc/52/50/24/570525024.db2.gz MDBRXQADGBMRJH-WVHIBCRRSA-N 0 0 397.611 5.806 50 30 GKEARN O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\c1ccncc1 ZINC000005249577 570525275 /nfs/dbraw/zinc/52/52/75/570525275.db2.gz LRXDPKRGDAITHG-UKWGHVSLSA-N 0 0 381.790 5.069 50 30 GKEARN Cc1[nH]c2ccccc2c1C1=CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 ZINC000072308178 570526674 /nfs/dbraw/zinc/52/66/74/570526674.db2.gz RUQUQXZKRCTUGK-UHFFFAOYSA-N 0 0 394.478 5.292 50 30 GKEARN CCCCCCCCCCc1ccc(-c2ccc(O[C@H](C)C(N)=O)cc2)cc1 ZINC000008383545 570530519 /nfs/dbraw/zinc/53/05/19/570530519.db2.gz DJJJNXSJBCHMRZ-HXUWFJFHSA-N 0 0 381.560 6.289 50 30 GKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000008432220 570531654 /nfs/dbraw/zinc/53/16/54/570531654.db2.gz VODOEGWCJQEPRF-QGZVFWFLSA-N 0 0 388.621 6.850 50 30 GKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1n[nH]c(CCC)n1 ZINC000008443718 570532011 /nfs/dbraw/zinc/53/20/11/570532011.db2.gz BNPRQPFWXMWPBR-UHFFFAOYSA-N 0 0 399.645 6.012 50 30 GKEARN CCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21 ZINC000008450754 570532054 /nfs/dbraw/zinc/53/20/54/570532054.db2.gz RTIMMZDJHATUCK-UHFFFAOYSA-N 0 0 391.643 9.276 50 30 GKEARN Cc1cc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc2c(C)c1 ZINC000005265307 570533044 /nfs/dbraw/zinc/53/30/44/570533044.db2.gz LUAODVCNHFHTPC-UHFFFAOYSA-N 0 0 398.491 5.027 50 30 GKEARN Cc1nn(C)cc1/C=N/N=C1/CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000147169812 570537991 /nfs/dbraw/zinc/53/79/91/570537991.db2.gz XKGJSFZJELCKIZ-LQMAQYGXSA-N 0 0 394.607 5.936 50 30 GKEARN COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000004006109 570539429 /nfs/dbraw/zinc/53/94/29/570539429.db2.gz BGBOPMKXQGADBE-OUKQBFOZSA-N 0 0 389.407 5.175 50 30 GKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)C1CCCC1 ZINC000036105151 570542039 /nfs/dbraw/zinc/54/20/39/570542039.db2.gz GQYITPOALFFZSC-UHFFFAOYSA-N 0 0 398.572 5.550 50 30 GKEARN CCCCCCCNC1=C(C(=O)CCC)C(=O)C[C@H](C[C@@H](C)SCC)C1 ZINC000103015789 570542519 /nfs/dbraw/zinc/54/25/19/570542519.db2.gz SQIZOCJDQMRNKG-QZTJIDSGSA-N 0 0 381.626 5.681 50 30 GKEARN CCCCCCCNC1=C(C(=O)CCC)C(=O)C[C@@H](C[C@H](C)SCC)C1 ZINC000103015798 570542531 /nfs/dbraw/zinc/54/25/31/570542531.db2.gz SQIZOCJDQMRNKG-ROUUACIJSA-N 0 0 381.626 5.681 50 30 GKEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(SC)cc1 ZINC000006720446 570548507 /nfs/dbraw/zinc/54/85/07/570548507.db2.gz KRVKVFIQSBCVEW-HSZRJFAPSA-N 0 0 392.524 5.325 50 30 GKEARN O=C1ON(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000006720875 570549963 /nfs/dbraw/zinc/54/99/63/570549963.db2.gz LVKOZNCXJLKFKG-FQEVSTJZSA-N 0 0 394.814 5.146 50 30 GKEARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733058 570557238 /nfs/dbraw/zinc/55/72/38/570557238.db2.gz KJOXCLQZJBTLNJ-NRFANRHFSA-N 0 0 397.522 5.894 50 30 GKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(C)C)n2)cc1 ZINC000004321394 570558584 /nfs/dbraw/zinc/55/85/84/570558584.db2.gz DMRUVCFLEGFISI-UHFFFAOYSA-N 0 0 392.955 6.997 50 30 GKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](c2ccccc2)C1(C#N)C#N ZINC000006755454 570572834 /nfs/dbraw/zinc/57/28/34/570572834.db2.gz JWDRLCSIVQWUDO-VABKMULXSA-N 0 0 395.506 5.012 50 30 GKEARN Cc1ccc(NC(=O)c2c(C)[nH]c(=S)c(C#N)c2-c2cccs2)c(C)c1 ZINC000005442673 570594455 /nfs/dbraw/zinc/59/44/55/570594455.db2.gz DVMMVTBLYDQELW-UHFFFAOYSA-N 0 0 379.510 5.522 50 30 GKEARN O=C(c1cccc([N+](=O)[O-])c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003206285 570596531 /nfs/dbraw/zinc/59/65/31/570596531.db2.gz MHECACPJJCBPKZ-UHFFFAOYSA-N 0 0 378.453 5.220 50 30 GKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000003324119 570603277 /nfs/dbraw/zinc/60/32/77/570603277.db2.gz UEQXYDVCJHDGTP-PGPKDTDWSA-N 0 0 380.365 6.105 50 30 GKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000033011261 570624053 /nfs/dbraw/zinc/62/40/53/570624053.db2.gz IDDSGOZKFQGZCU-UHFFFAOYSA-N 0 0 379.872 5.004 50 30 GKEARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C#N)cc1 ZINC000005520857 570625821 /nfs/dbraw/zinc/62/58/21/570625821.db2.gz REPQHESMVGYORR-UHFFFAOYSA-N 0 0 385.345 5.046 50 30 GKEARN N#Cc1c(SCc2ccc(Cl)cc2)nc(-c2cccs2)c2c1CCCC2 ZINC000004598884 570631515 /nfs/dbraw/zinc/63/15/15/570631515.db2.gz OAKYEYASMUODFK-UHFFFAOYSA-N 0 0 396.968 6.506 50 30 GKEARN CCOc1ccccc1O[C@H]1CCCC[C@H]1N(CCC#N)Cc1ccccc1 ZINC000044125531 570632065 /nfs/dbraw/zinc/63/20/65/570632065.db2.gz RRUIMUSBHYCRSA-YADHBBJMSA-N 0 0 378.516 5.191 50 30 GKEARN CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 ZINC000005551496 570632158 /nfs/dbraw/zinc/63/21/58/570632158.db2.gz CCPIUEXSNCIHDA-CJLVFECKSA-N 0 0 386.520 6.074 50 30 GKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1 ZINC000005551328 570632249 /nfs/dbraw/zinc/63/22/49/570632249.db2.gz DGHCDDKEFMPVII-STZFKDTASA-N 0 0 386.476 5.296 50 30 GKEARN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000005551699 570632670 /nfs/dbraw/zinc/63/26/70/570632670.db2.gz ZBNMKRLBCFQHBL-SXGWCWSVSA-N 0 0 393.295 5.284 50 30 GKEARN CC(C)c1cc(Oc2ccccc2F)nc(SCc2cccc(C#N)c2)n1 ZINC000036349820 570633341 /nfs/dbraw/zinc/63/33/41/570633341.db2.gz JEXSPAOGHNLZNU-UHFFFAOYSA-N 0 0 379.460 5.695 50 30 GKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044835894 570634078 /nfs/dbraw/zinc/63/40/78/570634078.db2.gz BTIUQSZHFDKMJX-IFRROFPPSA-N 0 0 378.575 5.578 50 30 GKEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1 ZINC000004863785 570641294 /nfs/dbraw/zinc/64/12/94/570641294.db2.gz PMWLUZUSRGXSDM-CCEZHUSRSA-N 0 0 384.504 6.059 50 30 GKEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000006844126 570645947 /nfs/dbraw/zinc/64/59/47/570645947.db2.gz PATPFLYOVSMXNF-INIZCTEOSA-N 0 0 396.556 5.405 50 30 GKEARN CCOc1ccc(/N=C2\c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000012406376 570653553 /nfs/dbraw/zinc/65/35/53/570653553.db2.gz LQIXJXMSPOUKJH-UVWSQDQSSA-N 0 0 376.500 5.401 50 30 GKEARN Cc1cc(C)c(C#N)c(SC[C@@]2(O)CCCC[C@@H]2SCc2ccccc2)n1 ZINC000005394263 570661241 /nfs/dbraw/zinc/66/12/41/570661241.db2.gz UBMTXCPNVOHFHJ-UNMCSNQZSA-N 0 0 398.597 5.269 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CCCCC4)o3)o2)cc1C ZINC000033027064 570662811 /nfs/dbraw/zinc/66/28/11/570662811.db2.gz NTSJPDWNJXBBOL-UHFFFAOYSA-N 0 0 391.471 5.747 50 30 GKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1 ZINC000033027099 570662976 /nfs/dbraw/zinc/66/29/76/570662976.db2.gz IYWDZXVXORTDSH-UHFFFAOYSA-N 0 0 399.450 5.529 50 30 GKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)c1 ZINC000033027056 570662979 /nfs/dbraw/zinc/66/29/79/570662979.db2.gz SASCOKPBRDGEAD-UHFFFAOYSA-N 0 0 389.411 5.207 50 30 GKEARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3sc(C)c(C)c3C#N)c12 ZINC000013642051 570663476 /nfs/dbraw/zinc/66/34/76/570663476.db2.gz HCDMCPGRMZBBGU-UHFFFAOYSA-N 0 0 394.481 5.062 50 30 GKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)cc1C ZINC000033027204 570663929 /nfs/dbraw/zinc/66/39/29/570663929.db2.gz WFIMDTAURYAVBU-UHFFFAOYSA-N 0 0 391.471 5.383 50 30 GKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCc1ccncc1 ZINC000003118137 570664626 /nfs/dbraw/zinc/66/46/26/570664626.db2.gz LCQHFJOFKFVIJX-UHFFFAOYSA-N 0 0 385.517 6.036 50 30 GKEARN O=C1c2ccccc2CC/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006339691 570668579 /nfs/dbraw/zinc/66/85/79/570668579.db2.gz HUJSXGBZLCTSBE-OBGWFSINSA-N 0 0 382.488 5.813 50 30 GKEARN N#Cc1sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c1N ZINC000004620156 570675792 /nfs/dbraw/zinc/67/57/92/570675792.db2.gz OOMBYDNWGVMELR-UHFFFAOYSA-N 0 0 377.435 5.237 50 30 GKEARN COc1ccc(/C=C/C(=O)c2cc(C)sc2C)cc1COCC(F)(F)F ZINC000006922044 570707042 /nfs/dbraw/zinc/70/70/42/570707042.db2.gz QIXVOWVKEIESQF-GQCTYLIASA-N 0 0 384.419 5.349 50 30 GKEARN Cc1nc(SCc2ccccc2Cl)c(C#N)c(C)c1/N=N/c1ccccc1 ZINC000004365771 570707579 /nfs/dbraw/zinc/70/75/79/570707579.db2.gz YSHUWYICYSMHNU-OCEACIFDSA-N 0 0 392.915 6.931 50 30 GKEARN CC(/C=C1/S/C(=N\c2ccc(Br)cc2)NC1=O)=C/c1ccccc1 ZINC000006373536 570707871 /nfs/dbraw/zinc/70/78/71/570707871.db2.gz PDIFRSZLSURBJJ-RTNVFWHRSA-N 0 0 399.313 5.287 50 30 GKEARN N#CCCSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000006940941 570714723 /nfs/dbraw/zinc/71/47/23/570714723.db2.gz OVQNQOGGKGKNSR-UHFFFAOYSA-N 0 0 376.529 5.533 50 30 GKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000004366427 570716078 /nfs/dbraw/zinc/71/60/78/570716078.db2.gz MHQKQHXCJPWOKY-UHFFFAOYSA-N 0 0 396.519 5.715 50 30 GKEARN N#Cc1c2c(sc1-n1ncnc1-c1ccc(Cl)cc1Cl)CCCCC2 ZINC000002495221 570722208 /nfs/dbraw/zinc/72/22/08/570722208.db2.gz KAOQKSBLJMQWDS-UHFFFAOYSA-N 0 0 389.311 5.443 50 30 GKEARN CSc1c(C#N)c(-c2cc(C(C)(C)C)oc2C)nn1-c1cc(C)cc(C)c1 ZINC000004390797 570727460 /nfs/dbraw/zinc/72/74/60/570727460.db2.gz NASVEFNRBQRGEY-UHFFFAOYSA-N 0 0 379.529 5.949 50 30 GKEARN Cc1nc(/C=C/c2ccc(C#N)cc2)sc1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000058356126 570728341 /nfs/dbraw/zinc/72/83/41/570728341.db2.gz WMJMEHALUHVKRE-DCIPZJNNSA-N 0 0 381.460 5.261 50 30 GKEARN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1C(C)C ZINC000000947406 570734680 /nfs/dbraw/zinc/73/46/80/570734680.db2.gz LNCAZUTXJIMXBU-AWEZNQCLSA-N 0 0 382.529 5.194 50 30 GKEARN N#Cc1ccc(Oc2cc(Br)c(Cl)c(Br)c2)cc1 ZINC000007004472 570735754 /nfs/dbraw/zinc/73/57/54/570735754.db2.gz UURDKHMRHOVSKQ-UHFFFAOYSA-N 0 0 387.458 5.529 50 30 GKEARN O=C1c2sc(-c3ccccc3)nc2CC/C1=C\c1csc(-c2ccco2)n1 ZINC000060374677 570740944 /nfs/dbraw/zinc/74/09/44/570740944.db2.gz WKJZZMTYRVCTBY-SDNWHVSQSA-N 0 0 390.489 5.739 50 30 GKEARN COc1ccc([C@@H](CC#N)[C@@H](C#N)c2c(Cl)cccc2Cl)cc1OC ZINC000000984244 570743386 /nfs/dbraw/zinc/74/33/86/570743386.db2.gz VTYWIXUOOKUJDC-ZIAGYGMSSA-N 0 0 375.255 5.315 50 30 GKEARN N#Cc1sc(SCc2ccccc2)c2c1C[C@@H](c1ccccc1)CC2=O ZINC000001037844 570747688 /nfs/dbraw/zinc/74/76/88/570747688.db2.gz OBPPNRZCYSIZAF-QGZVFWFLSA-N 0 0 375.518 5.825 50 30 GKEARN N#Cc1c(/N=C/c2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001054935 570747727 /nfs/dbraw/zinc/74/77/27/570747727.db2.gz JSYVLUHZOPVFCV-STBIYBPSSA-N 0 0 387.442 6.717 50 30 GKEARN Cc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000013617998 570763426 /nfs/dbraw/zinc/76/34/26/570763426.db2.gz AIJFEXCNEWPFSG-LTGZKZEYSA-N 0 0 382.463 5.626 50 30 GKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000013635235 570764801 /nfs/dbraw/zinc/76/48/01/570764801.db2.gz LMSIZDUBSBTGNW-JCMHNJIXSA-N 0 0 380.472 5.885 50 30 GKEARN N#Cc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])cc1C#N ZINC000096602291 570774717 /nfs/dbraw/zinc/77/47/17/570774717.db2.gz CAPLWYHVPQGWGE-UHFFFAOYSA-N 0 0 390.786 5.527 50 30 GKEARN O=C(c1ccc(Cl)cc1)n1ccc(-c2ccc(C#Cc3ccccc3)s2)n1 ZINC000003134110 570776153 /nfs/dbraw/zinc/77/61/53/570776153.db2.gz UPESEHJORMGLBD-UHFFFAOYSA-N 0 0 388.879 5.353 50 30 GKEARN N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCCC2 ZINC000005670550 570778690 /nfs/dbraw/zinc/77/86/90/570778690.db2.gz MJOMMGMXASLJSM-UHFFFAOYSA-N 0 0 389.864 5.093 50 30 GKEARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4C#N)cc3)c2O1 ZINC000036647273 570782302 /nfs/dbraw/zinc/78/23/02/570782302.db2.gz OOFRZSQUNGEZHV-UHFFFAOYSA-N 0 0 398.462 5.103 50 30 GKEARN Cc1ccccc1NC1=NC(=S)N(Cc2ccccc2)[C@@]12CCOC(C)(C)C2 ZINC000005854856 570797018 /nfs/dbraw/zinc/79/70/18/570797018.db2.gz KWPAIRRIOJMPBO-HSZRJFAPSA-N 0 0 393.556 5.154 50 30 GKEARN CCCCCCCCCCCCCCCCCCc1c(O)[nH]c(=S)[nH]c1=O ZINC000097950346 570800409 /nfs/dbraw/zinc/80/04/09/570800409.db2.gz KZBCYFXDNOJQML-UHFFFAOYSA-N 0 0 396.641 6.942 50 30 GKEARN COc1ccccc1N(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000005938383 570805793 /nfs/dbraw/zinc/80/57/93/570805793.db2.gz MYEUPQPCBAGFJO-UHFFFAOYSA-N 0 0 385.448 5.155 50 30 GKEARN N#Cc1ccc(-c2ccc(OC(=O)CSc3ccc(Cl)cc3)cc2)cc1 ZINC000005937752 570806602 /nfs/dbraw/zinc/80/66/02/570806602.db2.gz YQGNCPQQXOZNGX-UHFFFAOYSA-N 0 0 379.868 5.576 50 30 GKEARN Cc1ccsc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000018200080 570809038 /nfs/dbraw/zinc/80/90/38/570809038.db2.gz VAZIIDINXXEBRI-XIKOKIGWSA-N 0 0 381.526 5.108 50 30 GKEARN CCCCN(C)c1ccc(/C=N\NC(=S)Nc2ccc(C)cc2Cl)cc1 ZINC000033096917 570809713 /nfs/dbraw/zinc/80/97/13/570809713.db2.gz HEHIBGHWDGOEEN-HMAPJEAMSA-N 0 0 388.968 5.205 50 30 GKEARN CCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(C)cc2Cl)cc1 ZINC000033096941 570809764 /nfs/dbraw/zinc/80/97/64/570809764.db2.gz BEFPNDTVUFTBQG-HMAPJEAMSA-N 0 0 388.968 5.205 50 30 GKEARN C=C1[C@H](C(=O)Nc2cccc3ccccc32)[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000018205424 570810247 /nfs/dbraw/zinc/81/02/47/570810247.db2.gz NRVBVXXCCOBZLH-PSWAGMNNSA-N 0 0 392.458 5.372 50 30 GKEARN N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1Cl ZINC000005971752 570810595 /nfs/dbraw/zinc/81/05/95/570810595.db2.gz UAVJFXJGZZFRRM-UHFFFAOYSA-N 0 0 385.901 5.066 50 30 GKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3cccs3)n2)n1 ZINC000036774899 570811367 /nfs/dbraw/zinc/81/13/67/570811367.db2.gz VCJRTAZLZBYOOO-UHFFFAOYSA-N 0 0 381.404 5.289 50 30 GKEARN C(=N/n1c(SCc2ccccc2)nnc1-c1ccccc1)\c1cccs1 ZINC000001780562 570814048 /nfs/dbraw/zinc/81/40/48/570814048.db2.gz RJXQYXDSCFSEBQ-KGENOOAVSA-N 0 0 376.510 5.181 50 30 GKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC)n2)cc1 ZINC000006026229 570814735 /nfs/dbraw/zinc/81/47/35/570814735.db2.gz RYEAHTCJGPHZBK-UHFFFAOYSA-N 0 0 394.462 6.320 50 30 GKEARN C[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000007202059 570815074 /nfs/dbraw/zinc/81/50/74/570815074.db2.gz RAQZIWOOUIVYCP-LBPRGKRZSA-N 0 0 395.359 6.009 50 30 GKEARN COc1ccccc1/C=C/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000001802933 570816556 /nfs/dbraw/zinc/81/65/56/570816556.db2.gz ODQJZEPSVPREGJ-TXRZGVEQSA-N 0 0 381.431 5.816 50 30 GKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(F)cc2)c1CCC(C)C ZINC000004674126 570819545 /nfs/dbraw/zinc/81/95/45/570819545.db2.gz CTCJPVGDRPOQGL-UHFFFAOYSA-N 0 0 386.474 6.139 50 30 GKEARN C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000065453267 570820808 /nfs/dbraw/zinc/82/08/08/570820808.db2.gz JDDBGQKAIUGOGN-GFCCVEGCSA-N 0 0 395.311 5.405 50 30 GKEARN CCN(CC)c1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c(O)c1 ZINC000004674874 570820857 /nfs/dbraw/zinc/82/08/57/570820857.db2.gz BASRPXSFQNCJEB-PCLIKHOPSA-N 0 0 384.483 5.304 50 30 GKEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000007276300 570823982 /nfs/dbraw/zinc/82/39/82/570823982.db2.gz PYNYDRWXIAUBRY-UHFFFAOYSA-N 0 0 377.241 5.240 50 30 GKEARN CC(C)(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2Cl)cc1 ZINC000001917905 570826068 /nfs/dbraw/zinc/82/60/68/570826068.db2.gz QFKYHHFAAFOWJK-FSJBWODESA-N 0 0 384.936 5.404 50 30 GKEARN Cc1occc1-c1nnc(SCc2ccccc2C#N)n1Cc1ccccc1 ZINC000007291522 570826255 /nfs/dbraw/zinc/82/62/55/570826255.db2.gz ZPYVSCLRFJGESD-UHFFFAOYSA-N 0 0 386.480 5.059 50 30 GKEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(F)c(Cl)cc1Cl ZINC000012539221 570837912 /nfs/dbraw/zinc/83/79/12/570837912.db2.gz MGPGWRPPCNTBNM-UHFFFAOYSA-N 0 0 385.225 5.180 50 30 GKEARN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCc1cccnc1 ZINC000012539243 570837915 /nfs/dbraw/zinc/83/79/15/570837915.db2.gz BVFCWNZRBVOMQB-UHFFFAOYSA-N 0 0 397.550 5.060 50 30 GKEARN Cn1nc(-c2ccccc2)c([C@@H](O)C#Cc2ccccc2)c1Sc1ccccc1 ZINC000003049327 570839237 /nfs/dbraw/zinc/83/92/37/570839237.db2.gz ODZXJAJAOFFFNZ-QFIPXVFZSA-N 0 0 396.515 5.323 50 30 GKEARN Cn1nc(-c2ccccc2)c([C@H](O)C#Cc2ccccc2)c1Sc1ccccc1 ZINC000003049325 570841035 /nfs/dbraw/zinc/84/10/35/570841035.db2.gz ODZXJAJAOFFFNZ-JOCHJYFZSA-N 0 0 396.515 5.323 50 30 GKEARN CCCCCCCCCOC(=O)NCNC(=O)OCCCCCCCCC ZINC000102129399 570841496 /nfs/dbraw/zinc/84/14/96/570841496.db2.gz GSQPZDIXNSWIJT-UHFFFAOYSA-N 0 0 386.577 5.898 50 30 GKEARN CCOc1ccc2c(c1)C(=NNc1ccc(F)cc1F)c1cc(OCC)ccc1-2 ZINC000004524331 570842659 /nfs/dbraw/zinc/84/26/59/570842659.db2.gz ASUGYDPQIBROAB-UHFFFAOYSA-N 0 0 394.421 5.607 50 30 GKEARN CCc1ccc(/C=N/N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1 ZINC000004705072 570854197 /nfs/dbraw/zinc/85/41/97/570854197.db2.gz LGOROWXNEQCDQH-YJBIHYNGSA-N 0 0 385.536 5.557 50 30 GKEARN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000004703708 570854484 /nfs/dbraw/zinc/85/44/84/570854484.db2.gz LIEOLSWXXQOVGL-PCLIKHOPSA-N 0 0 388.467 5.162 50 30 GKEARN CC(=O)c1ccc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1 ZINC000004544198 570856056 /nfs/dbraw/zinc/85/60/56/570856056.db2.gz HVLDQIOMPRGCOU-ZNLRHDTNSA-N 0 0 394.299 5.291 50 30 GKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000044087161 570862603 /nfs/dbraw/zinc/86/26/03/570862603.db2.gz MPQVBMBPVAIULZ-UHFFFAOYSA-N 0 0 389.293 5.719 50 30 GKEARN C=CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087982 570863086 /nfs/dbraw/zinc/86/30/86/570863086.db2.gz CRCYKZMQWJDISR-UHFFFAOYSA-N 0 0 390.430 6.024 50 30 GKEARN C=C[C@](C)(CC[C@@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@]21C)OC(C)=O ZINC000102974988 570872585 /nfs/dbraw/zinc/87/25/85/570872585.db2.gz JRCDNYSMCYLMMV-PQMPYMPHSA-N 0 0 392.580 5.839 50 30 GKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccc(C(C)C)cc1 ZINC000170618125 570875422 /nfs/dbraw/zinc/87/54/22/570875422.db2.gz FXFLVKQKRZNLQA-URXFXBBRSA-N 0 0 392.495 5.138 50 30 GKEARN Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCC3)c(C)c1 ZINC000004553647 570880177 /nfs/dbraw/zinc/88/01/77/570880177.db2.gz VYDNHWCKPQTCHC-MFKUBSTISA-N 0 0 388.536 6.247 50 30 GKEARN CCOc1ccc(N=CC(=CNc2ccc(OCC)cc2)c2ccccc2)cc1 ZINC000103286770 570880514 /nfs/dbraw/zinc/88/05/14/570880514.db2.gz HDVGMQXYNJZWAK-FYLJGWAWSA-N 0 0 386.495 6.340 50 30 GKEARN Cc1ccc(CN(Cc2ccco2)c2oc(-c3cccs3)nc2C#N)cc1 ZINC000170623777 570881617 /nfs/dbraw/zinc/88/16/17/570881617.db2.gz NWGFDXRTCOVZLW-UHFFFAOYSA-N 0 0 375.453 5.383 50 30 GKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1N(Cc1ccco1)Cc1ccccc1 ZINC000170623770 570881650 /nfs/dbraw/zinc/88/16/50/570881650.db2.gz DISCPOSDFAKMLO-UHFFFAOYSA-N 0 0 389.842 5.666 50 30 GKEARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@@H](C#N)C2)c(C)s1 ZINC000072419556 570881978 /nfs/dbraw/zinc/88/19/78/570881978.db2.gz XUOYQXDIQLYGFK-KRWDZBQOSA-N 0 0 394.519 5.092 50 30 GKEARN COc1ccc2cc(CN3CCC[C@H](C#N)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072440798 570881993 /nfs/dbraw/zinc/88/19/93/570881993.db2.gz MRZOBKDMGCYDDG-MRXNPFEDSA-N 0 0 391.902 5.299 50 30 GKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc4ccccc4s3)sc2C1 ZINC000003669128 570882127 /nfs/dbraw/zinc/88/21/27/570882127.db2.gz WTWXXGGPERGDMH-MMTYYTLLSA-N 0 0 378.566 6.736 50 30 GKEARN O=C(Oc1cccc(/C=N/c2ccccc2)c1)c1sc2ccccc2c1Cl ZINC000003668995 570882338 /nfs/dbraw/zinc/88/23/38/570882338.db2.gz YAPKJJJAXCHDMO-ZVHZXABRSA-N 0 0 391.879 6.525 50 30 GKEARN CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000042032581 570884979 /nfs/dbraw/zinc/88/49/79/570884979.db2.gz WDKIHJNPUNDPRA-UHFFFAOYSA-N 0 0 397.478 5.462 50 30 GKEARN Cc1cc(C)n(-c2ccc(SCc3ccc(-c4ccccc4C#N)cc3)nn2)n1 ZINC000022417378 570889834 /nfs/dbraw/zinc/88/98/34/570889834.db2.gz IUFJHSVPJXGBOJ-UHFFFAOYSA-N 0 0 397.507 5.110 50 30 GKEARN CCCCCCCCC/C=C\C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000103924797 570890404 /nfs/dbraw/zinc/89/04/04/570890404.db2.gz ZBLYBBCUWIWODA-QQBSYFJQSA-N 0 0 393.593 5.306 50 30 GKEARN Cc1c(Cl)cccc1NC(=S)NNc1ncc(C(F)(F)F)cc1Cl ZINC000013479163 570897986 /nfs/dbraw/zinc/89/79/86/570897986.db2.gz HKKJZAZBBRQYEK-UHFFFAOYSA-N 0 0 395.237 5.440 50 30 GKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000031854354 570899730 /nfs/dbraw/zinc/89/97/30/570899730.db2.gz CJZNDPKIGWPUEL-BKUYFWCQSA-N 0 0 395.488 5.011 50 30 GKEARN CC(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000031854552 570899945 /nfs/dbraw/zinc/89/99/45/570899945.db2.gz POENUGCOMBBZNU-YVNNLAQVSA-N 0 0 390.339 6.686 50 30 GKEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1Cc1ccccc1 ZINC000032905215 570903212 /nfs/dbraw/zinc/90/32/12/570903212.db2.gz YOBGBTVFMBMLHZ-UHFFFAOYSA-N 0 0 388.470 5.325 50 30 GKEARN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000015826373 570905494 /nfs/dbraw/zinc/90/54/94/570905494.db2.gz IZRNYTAMOWTTNQ-RUZDIDTESA-N 0 0 384.479 5.769 50 30 GKEARN CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=N/c1ccccc1 ZINC000016101881 570913619 /nfs/dbraw/zinc/91/36/19/570913619.db2.gz CPRQVGSGJMQBAJ-APZPCHNMSA-N 0 0 382.532 6.825 50 30 GKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1cccc2ccccc21 ZINC000016890322 570916744 /nfs/dbraw/zinc/91/67/44/570916744.db2.gz LHVMKCFOOCFATC-UHFFFAOYSA-N 0 0 397.503 5.509 50 30 GKEARN CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1Cl ZINC000004588780 570923433 /nfs/dbraw/zinc/92/34/33/570923433.db2.gz DHHJZTZMNWYDDB-AWQFTUOYSA-N 0 0 395.684 5.216 50 30 GKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccccc1Cl ZINC000004035924 570923553 /nfs/dbraw/zinc/92/35/53/570923553.db2.gz FLBGZRASUOJRMN-QFIPXVFZSA-N 0 0 388.898 6.089 50 30 GKEARN C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(Oc2cccc(C)c2)n1 ZINC000004053160 570925979 /nfs/dbraw/zinc/92/59/79/570925979.db2.gz NIMGMJMLRVWDRG-UHFFFAOYSA-N 0 0 393.537 6.235 50 30 GKEARN Brc1ccc2c(c1)C(=Nc1ccccc1)C(Nc1ccccc1)=N2 ZINC000017207056 570929530 /nfs/dbraw/zinc/92/95/30/570929530.db2.gz KUWPSGCVAXRXJW-UHFFFAOYSA-N 0 0 376.257 5.726 50 30 GKEARN C=CCN(C(=O)c1ccccc1)[C@H](C#N)c1ccccc1OCc1ccccc1 ZINC000001078985 570931363 /nfs/dbraw/zinc/93/13/63/570931363.db2.gz OUTFLSVCYLNOHP-HSZRJFAPSA-N 0 0 382.463 5.159 50 30 GKEARN Cc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000016739216 570932282 /nfs/dbraw/zinc/93/22/82/570932282.db2.gz CGFZQVFQGMSVTQ-WMOWQXFYSA-N 0 0 384.504 6.112 50 30 GKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000004863783 570933613 /nfs/dbraw/zinc/93/36/13/570933613.db2.gz SHQYDKFVJHGZEG-DTQAZKPQSA-N 0 0 384.866 6.089 50 30 GKEARN N#CCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 ZINC000012644291 570934383 /nfs/dbraw/zinc/93/43/83/570934383.db2.gz IILPYPHITNUZHF-UHFFFAOYSA-N 0 0 392.431 5.004 50 30 GKEARN C=C(C)CN(CC)C(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc21 ZINC000012648196 570934855 /nfs/dbraw/zinc/93/48/55/570934855.db2.gz VYXYGVLDJYZUMB-UHFFFAOYSA-N 0 0 397.569 5.183 50 30 GKEARN N#Cc1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCCCC2 ZINC000002097836 570939707 /nfs/dbraw/zinc/93/97/07/570939707.db2.gz QYUMVGHAPGRKOI-UHFFFAOYSA-N 0 0 379.312 5.838 50 30 GKEARN Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2cccc3ccccc32)cc1 ZINC000004954001 570943014 /nfs/dbraw/zinc/94/30/14/570943014.db2.gz AYUAGQVQJFONOG-TXINLPKESA-N 0 0 387.508 5.002 50 30 GKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/[C@@H](C)c1ccccc1 ZINC000004108938 570951857 /nfs/dbraw/zinc/95/18/57/570951857.db2.gz TYPIRWPDHIWOCD-SKTLXTFLSA-N 0 0 395.553 5.110 50 30 GKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(F)c(Cl)c1 ZINC000004740338 570953746 /nfs/dbraw/zinc/95/37/46/570953746.db2.gz GCPVMUVCFWCKJN-NCELDCMTSA-N 0 0 398.865 5.541 50 30 GKEARN COc1cc(C=Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 ZINC000252462650 570961099 /nfs/dbraw/zinc/96/10/99/570961099.db2.gz VALUCLYIJLIZHG-UHFFFAOYSA-N 0 0 392.430 5.122 50 30 GKEARN CC(=NOCc1cc(-c2ccccc2)on1)c1nc2ccccc2n1C(F)F ZINC000252467312 570961609 /nfs/dbraw/zinc/96/16/09/570961609.db2.gz CAGVFQLJDPTPRQ-UHFFFAOYSA-N 0 0 382.370 5.027 50 30 GKEARN CCc1ccccc1NC=C1Nc2ccc(Br)c(Cl)c2C1=O ZINC000004143951 570964020 /nfs/dbraw/zinc/96/40/20/570964020.db2.gz SNNRSNOUJZPLQN-NTEUORMPSA-N 0 0 377.669 5.227 50 30 GKEARN Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(/N=C/c2cc(Cl)ccc2O)c1C ZINC000004754165 570965200 /nfs/dbraw/zinc/96/52/00/570965200.db2.gz QOBXNWOJNFIHCJ-MZJWZYIUSA-N 0 0 393.958 6.881 50 30 GKEARN CN(C)c1nc(-c2ccccc2)nc(Nc2ccc(Cl)cc2Cl)c1C#N ZINC000002154390 570972494 /nfs/dbraw/zinc/97/24/94/570972494.db2.gz AQWZTYUIXBKWGJ-UHFFFAOYSA-N 0 0 384.270 5.132 50 30 GKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O ZINC000002153127 570972945 /nfs/dbraw/zinc/97/29/45/570972945.db2.gz HJQXXYFIBFMMDE-QWQNUTRASA-N 0 0 398.414 5.087 50 30 biogenic GKEARN N#Cc1cnn2c1nccc2-c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000001389991 570973794 /nfs/dbraw/zinc/97/37/94/570973794.db2.gz ZQVUHJLFWVIWPD-UHFFFAOYSA-N 0 0 395.249 5.154 50 30 GKEARN C=CCc1c(Cl)c2cc(Br)ccc2nc1/C=C/c1ccccc1 ZINC000004772575 570978004 /nfs/dbraw/zinc/97/80/04/570978004.db2.gz KNSWGRJKDKHCOO-PKNBQFBNSA-N 0 0 384.704 6.550 50 30 GKEARN Fc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000004772879 570978291 /nfs/dbraw/zinc/97/82/91/570978291.db2.gz ULCDSMYUHZIZEE-OGLMXYFKSA-N 0 0 379.434 6.862 50 30 GKEARN CCN(CC)c1ccc(NC=CC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000044843408 570980270 /nfs/dbraw/zinc/98/02/70/570980270.db2.gz HNXJGGIIQKGEJP-OUKQBFOZSA-N 0 0 387.321 5.412 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Br)cc2F)cc1 ZINC000044843182 570979857 /nfs/dbraw/zinc/97/98/57/570979857.db2.gz LBTQTRMTIUUJKI-ZHACJKMWSA-N 0 0 392.268 5.576 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2cc(OCC)ccc2OCC)cc1 ZINC000044842964 570979892 /nfs/dbraw/zinc/97/98/92/570979892.db2.gz RIXZXUJHDWJQBD-CCEZHUSRSA-N 0 0 383.488 5.471 50 30 GKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000044843284 570979991 /nfs/dbraw/zinc/97/99/91/570979991.db2.gz QPDSQJDSNKZRQH-ZHACJKMWSA-N 0 0 397.824 6.346 50 30 GKEARN N#Cc1c(=O)n(Cc2cccc(C(F)(F)F)c2)ccc1-c1ccc(Cl)cc1 ZINC000001401920 570980961 /nfs/dbraw/zinc/98/09/61/570980961.db2.gz YLQHEPHHYYPHDW-UHFFFAOYSA-N 0 0 388.776 5.107 50 30 GKEARN N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000001402950 570981503 /nfs/dbraw/zinc/98/15/03/570981503.db2.gz RGACZRZQGBIKQM-UHFFFAOYSA-N 0 0 388.776 5.107 50 30 GKEARN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000004181726 570983149 /nfs/dbraw/zinc/98/31/49/570983149.db2.gz DBKKKIRVRISFJD-WXJZPCGISA-N 0 0 394.518 6.581 50 30 GKEARN Cc1cc(Br)ccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000044975016 570984959 /nfs/dbraw/zinc/98/49/59/570984959.db2.gz SZEVAMWZIXSBPC-CMDGGOBGSA-N 0 0 395.094 5.329 50 30 GKEARN O=C(C=CNc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000044974944 570985076 /nfs/dbraw/zinc/98/50/76/570985076.db2.gz SODGDLDIUFUFHS-BQYQJAHWSA-N 0 0 399.057 5.159 50 30 GKEARN CCOc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3s2)cc1 ZINC000004189618 570985590 /nfs/dbraw/zinc/98/55/90/570985590.db2.gz NATBUDAFEWTBAL-RGEXLXHISA-N 0 0 386.476 5.514 50 30 GKEARN CC[C@]1(C)C[C@](CC/N=C/c2ccccc2O)(c2ccccc2OC)CCO1 ZINC000004805417 570995601 /nfs/dbraw/zinc/99/56/01/570995601.db2.gz XTRWYLUNPNUULW-AGFIODOGSA-N 0 0 381.516 5.127 50 30 GKEARN CCCCCCCC(=O)Oc1ccc2c3c1cccc3C(=O)N(CCC)C2=O ZINC000575449257 570995660 /nfs/dbraw/zinc/99/56/60/570995660.db2.gz UHPZBBSXNMQEFY-UHFFFAOYSA-N 0 0 381.472 5.112 50 30 GKEARN O=[N+]([O-])c1ccc(C=Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)s1 ZINC000252589588 570997703 /nfs/dbraw/zinc/99/77/03/570997703.db2.gz AKVCEPKJFDRXNS-UHFFFAOYSA-N 0 0 399.431 6.368 50 30 GKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccc(Cl)cc1 ZINC000004811433 570998579 /nfs/dbraw/zinc/99/85/79/570998579.db2.gz VCKGRBBLEXOHDC-CVKSISIWSA-N 0 0 376.891 5.670 50 30 GKEARN O=c1oc2ccccc2c(NC2CCCCC2)c1NC([O-])=[NH+]c1ccccc1 ZINC000045896318 570998764 /nfs/dbraw/zinc/99/87/64/570998764.db2.gz SNZLVXSZSLTBJT-UHFFFAOYSA-N 0 0 377.444 5.195 50 30 GKEARN COc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001423234 570999382 /nfs/dbraw/zinc/99/93/82/570999382.db2.gz CWXLXUUESSHARQ-QFIPXVFZSA-N 0 0 384.479 5.444 50 30 GKEARN Cc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000004881244 571000804 /nfs/dbraw/zinc/00/08/04/571000804.db2.gz AIJFEXCNEWPFSG-PGMHBOJBSA-N 0 0 382.463 5.626 50 30 GKEARN CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)SC1=Nc1ccccc1 ZINC000252591312 571001073 /nfs/dbraw/zinc/00/10/73/571001073.db2.gz AZDMXYVIMIMKPS-RAYXNOPOSA-N 0 0 386.904 5.363 50 30 GKEARN CCN(CC)c1ccc(N=C(C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000252595357 571003705 /nfs/dbraw/zinc/00/37/05/571003705.db2.gz CAEYGFATCOPAHM-UHFFFAOYSA-N 0 0 399.494 5.127 50 30 GKEARN CC(=O)Nc1ccc(N=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000252598241 571004117 /nfs/dbraw/zinc/00/41/17/571004117.db2.gz CYUIGZQXTLLILM-UHFFFAOYSA-N 0 0 378.859 5.628 50 30 GKEARN CSC1=NC(=Nc2ccccc2)C2(CCCCC2)N1c1cccc(Cl)c1 ZINC000252601519 571005634 /nfs/dbraw/zinc/00/56/34/571005634.db2.gz FBHWOZPXHZMIJF-UHFFFAOYSA-N 0 0 383.948 6.312 50 30 GKEARN C(=Nc1ccc(Sc2ccc(N=Cc3ccccc3)cc2)cc1)c1ccccc1 ZINC000252602423 571006258 /nfs/dbraw/zinc/00/62/58/571006258.db2.gz FHSJCKYAXMJVKF-UHFFFAOYSA-N 0 0 392.527 7.339 50 30 GKEARN CCn1c(C=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2ccccc21 ZINC000252603594 571006688 /nfs/dbraw/zinc/00/66/88/571006688.db2.gz FSGFUVJKHXYHAO-UHFFFAOYSA-N 0 0 377.532 6.107 50 30 GKEARN CCCCOc1ccc(C(=O)ON=C2CCCc3cc(OC)c(C)cc32)cc1 ZINC000252605089 571006700 /nfs/dbraw/zinc/00/67/00/571006700.db2.gz GEWZMWOLROMIPZ-UHFFFAOYSA-N 0 0 381.472 5.080 50 30 GKEARN N#Cc1c2c(sc1N=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl)CCCC2 ZINC000252606684 571006992 /nfs/dbraw/zinc/00/69/92/571006992.db2.gz GUNUBBIJKTWHBT-UHFFFAOYSA-N 0 0 380.256 5.464 50 30 GKEARN COc1cc(Cl)cc(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1O ZINC000252606109 571007162 /nfs/dbraw/zinc/00/71/62/571007162.db2.gz GPODWSRTIYOUFP-UHFFFAOYSA-N 0 0 394.858 5.366 50 30 GKEARN CCOC(=O)c1c(N=Cc2ccc3ccccc3c2O)sc2c1CCCC2 ZINC000252607680 571007634 /nfs/dbraw/zinc/00/76/34/571007634.db2.gz HDZXZNQBMRSFAP-UHFFFAOYSA-N 0 0 379.481 5.413 50 30 GKEARN Cc1ccc2[nH]c3c(c2c1)CCCC3=NN=C1CCCc2c3cc(C)ccc3[nH]c21 ZINC000252608679 571008992 /nfs/dbraw/zinc/00/89/92/571008992.db2.gz HMRMFAQIVXFZGW-UHFFFAOYSA-N 0 0 394.522 6.132 50 30 GKEARN CCc1ccc(-n2nc(C)c3c2nc(OCc2ccccc2C#N)cc3C)cc1 ZINC000045995636 571009383 /nfs/dbraw/zinc/00/93/83/571009383.db2.gz RRUQOBIMCAMPTQ-UHFFFAOYSA-N 0 0 382.467 5.050 50 30 GKEARN CCc1ccc(-n2nc(C)c3c2nc(OCc2ccc(C#N)cc2)cc3C)cc1 ZINC000045995633 571009452 /nfs/dbraw/zinc/00/94/52/571009452.db2.gz KQMNEKJYVNQQIL-UHFFFAOYSA-N 0 0 382.467 5.050 50 30 GKEARN Cc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252611533 571015049 /nfs/dbraw/zinc/01/50/49/571015049.db2.gz IKKDEKJOTRYZJH-KGXUUABDSA-N 0 0 384.504 5.799 50 30 GKEARN COc1ccc(-c2nc3cc(N=C/C=C\c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000252612243 571015056 /nfs/dbraw/zinc/01/50/56/571015056.db2.gz IQSRPVYNVDMCRC-BVZVNWIJSA-N 0 0 399.406 5.827 50 30 GKEARN COc1ccc(-c2nc3cc(N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000252612244 571015089 /nfs/dbraw/zinc/01/50/89/571015089.db2.gz IQSRPVYNVDMCRC-WYWALMBJSA-N 0 0 399.406 5.827 50 30 GKEARN CCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1ccccc1 ZINC000252612012 571015194 /nfs/dbraw/zinc/01/51/94/571015194.db2.gz IOYJVJOSNPUXJC-KAWQFOENSA-N 0 0 375.497 5.572 50 30 GKEARN COc1ccc(C=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000252611059 571015292 /nfs/dbraw/zinc/01/52/92/571015292.db2.gz IGRYDBMATCXPRU-UHFFFAOYSA-N 0 0 396.821 6.242 50 30 GKEARN O=C1/C(=C/C=C/c2ccccc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252619137 571021968 /nfs/dbraw/zinc/02/19/68/571021968.db2.gz LNFZXPUTSFDDBD-GMYPARQWSA-N 0 0 382.488 6.051 50 30 GKEARN Cc1ccc(-c2c(C#N)cnc3c(N=Nc4ccccc4Cl)c(N)nn32)cc1 ZINC000252619430 571022245 /nfs/dbraw/zinc/02/22/45/571022245.db2.gz LPCOESHABCJBQS-UHFFFAOYSA-N 0 0 387.834 5.227 50 30 aggregator GKEARN N#Cc1ccccc1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000252619930 571025674 /nfs/dbraw/zinc/02/56/74/571025674.db2.gz LUNWNQNBJRCYJU-UHFFFAOYSA-N 0 0 383.842 5.268 50 30 aggregator GKEARN Oc1ccc(Cl)cc1C=Nc1cccc(N=Cc2cc(Cl)ccc2O)c1 ZINC000252621359 571033468 /nfs/dbraw/zinc/03/34/68/571033468.db2.gz MWPIOVFIDAJAMO-UHFFFAOYSA-N 0 0 385.250 5.906 50 30 GKEARN Cc1c(N=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000252621640 571033526 /nfs/dbraw/zinc/03/35/26/571033526.db2.gz NDOPNRNVJGFQNL-UHFFFAOYSA-N 0 0 391.858 5.148 50 30 GKEARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252622183 571034054 /nfs/dbraw/zinc/03/40/54/571034054.db2.gz NQJNDERQZNNGKK-OIBHPTRJSA-N 0 0 396.943 6.277 50 30 GKEARN Cc1ccc2oc(-c3cc(N=Cc4ccccc4Cl)ccc3Cl)nc2c1 ZINC000252622531 571034451 /nfs/dbraw/zinc/03/44/51/571034451.db2.gz NXNNBZSMEIGQCT-UHFFFAOYSA-N 0 0 381.262 6.861 50 30 GKEARN Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1 ZINC000012781334 571034726 /nfs/dbraw/zinc/03/47/26/571034726.db2.gz PVNDBMBBHSCXQY-UHFFFAOYSA-N 0 0 388.452 5.001 50 30 GKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccccn1 ZINC000007778763 571036411 /nfs/dbraw/zinc/03/64/11/571036411.db2.gz LYBHTTMQRBGDJQ-QHCPKHFHSA-N 0 0 392.466 5.117 50 30 GKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1cccnc1 ZINC000007778765 571036667 /nfs/dbraw/zinc/03/66/67/571036667.db2.gz DOSBQOVSAZMDHO-QFIPXVFZSA-N 0 0 392.466 5.117 50 30 GKEARN CN(N=Cc1ccccc1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000252623939 571037423 /nfs/dbraw/zinc/03/74/23/571037423.db2.gz PCQKUSDAWPDFHI-UHFFFAOYSA-N 0 0 382.442 5.420 50 30 GKEARN CC1(C)OC(c2ccccc2)=C/C(=C/C=Nc2sc3c(c2C#N)CCCC3)O1 ZINC000252624341 571037651 /nfs/dbraw/zinc/03/76/51/571037651.db2.gz PLXNMQAEHDCQRR-DRZITJQJSA-N 0 0 390.508 5.909 50 30 GKEARN Oc1ccccc1C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000252624472 571037736 /nfs/dbraw/zinc/03/77/36/571037736.db2.gz POLQHUZJDGSJPW-UHFFFAOYSA-N 0 0 393.240 5.714 50 30 GKEARN O=c1c(C=NNc2nc(-c3ccccc3)cs2)coc2ccc(Cl)cc12 ZINC000252624908 571038728 /nfs/dbraw/zinc/03/87/28/571038728.db2.gz PXYDECRSTWPRFB-UHFFFAOYSA-N 0 0 381.844 5.016 50 30 GKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2 ZINC000252624915 571038783 /nfs/dbraw/zinc/03/87/83/571038783.db2.gz PYCCCDOXZRYTIF-QMGOUDKXSA-N 0 0 387.936 5.102 50 30 GKEARN c1ccc(N=NC(N=Nc2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000095868173 571095004 /nfs/dbraw/zinc/09/50/04/571095004.db2.gz MZVXKNNJFCONRG-KHUVJJJTSA-N 0 0 376.463 6.911 50 30 GKEARN CCCCCCCCCCCCC/C=C/C(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000032790470 571744340 /nfs/dbraw/zinc/74/43/40/571744340.db2.gz SOYNLLDADLOGAM-APOCOGJHSA-O 0 0 398.608 5.336 50 30 endogenous,in-man GKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000031854344 230916797 /nfs/dbraw/zinc/91/67/97/230916797.db2.gz MSJJHURCZMGUJO-NKVSQWTQSA-N 0 0 392.362 5.183 50 30 GKEARN O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 ZINC000035681661 230922723 /nfs/dbraw/zinc/92/27/23/230922723.db2.gz CLNILSDRXISBER-JXAWBTAJSA-N 0 0 386.838 5.000 50 30 GKEARN O=C(CN1CCCCC1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000049640517 230935149 /nfs/dbraw/zinc/93/51/49/230935149.db2.gz KVYUTVARXWRBMS-UHFFFAOYSA-N 0 0 384.332 5.115 50 30 GKEARN O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000328592365 231045812 /nfs/dbraw/zinc/04/58/12/231045812.db2.gz DZONMIMVJLKITR-QFIPXVFZSA-N 0 0 393.870 5.324 50 30 GKEARN O=C1c2ccccc2C2=C1[C@H](c1c(F)cccc1Cl)Sc1ccccc1N2 ZINC000018222318 210219000 /nfs/dbraw/zinc/21/90/00/210219000.db2.gz ZQMYYDFBVVULQT-QFIPXVFZSA-N 0 0 393.870 6.346 50 30 GKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000018197206 210217304 /nfs/dbraw/zinc/21/73/04/210217304.db2.gz VSLXGABPRQSZIQ-HSZRJFAPSA-N 0 0 377.484 5.392 50 30 GKEARN CCCC[C@@H](CC)COc1cc(C#N)c(OC[C@@H](CC)CCCC)cc1C#N ZINC000017172951 210205789 /nfs/dbraw/zinc/20/57/89/210205789.db2.gz CKCPPOLWIZCTAL-BGYRXZFFSA-N 0 0 384.564 6.620 50 30 GKEARN N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000017079562 210203164 /nfs/dbraw/zinc/20/31/64/210203164.db2.gz DEJAGIRBEVFZHR-UHFFFAOYSA-N 0 0 389.867 5.741 50 30 GKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(F)cc1 ZINC000102148762 120366391 /nfs/dbraw/zinc/36/63/91/120366391.db2.gz SPXFBPVLGCLUAF-MGXYOJEMSA-N 0 0 399.516 5.210 50 30 GKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc2c1CCCC2 ZINC000015228021 210154097 /nfs/dbraw/zinc/15/40/97/210154097.db2.gz ZZBDKAXYSBPGTP-UHFFFAOYSA-N 0 0 384.504 5.841 50 30 GKEARN N#Cc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 ZINC000014604159 210121410 /nfs/dbraw/zinc/12/14/10/210121410.db2.gz LENICMIVHFIVAL-UHFFFAOYSA-N 0 0 388.279 5.165 50 30 GKEARN N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000014189804 210109375 /nfs/dbraw/zinc/10/93/75/210109375.db2.gz WABUTUNXQYFYCI-UHFFFAOYSA-N 0 0 387.439 5.707 50 30 GKEARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl ZINC000014124724 210105468 /nfs/dbraw/zinc/10/54/68/210105468.db2.gz CPXUSGRLILMRDY-UHFFFAOYSA-N 0 0 389.842 5.089 50 30 GKEARN CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccccc3)c2CO1 ZINC000013763442 210090407 /nfs/dbraw/zinc/09/04/07/210090407.db2.gz KJKSBQVCJNGKOA-UHFFFAOYSA-N 0 0 383.495 5.126 50 30 GKEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000013564516 210068612 /nfs/dbraw/zinc/06/86/12/210068612.db2.gz LPFXTJFIRLVDEP-ZDUSSCGKSA-N 0 0 385.703 5.109 50 30 aggregator GKEARN