smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1c(-c2cccc(F)c2)ncn1Cc1ccccc1OC ZINC000095564926 185380112 /nfs/dbraw/zinc/38/01/12/185380112.db2.gz IZIPKPLJJKWXRU-UHFFFAOYSA-N 0 0 324.399 4.699 3 0 DJAFRN Cn1ccc2c1c1c(cc2-c2cccc(C=O)c2)[C@@H]2CC[C@H]1O2 ZINC000095566293 185380323 /nfs/dbraw/zinc/38/03/23/185380323.db2.gz DYKUHRUAZBUTSP-ZWKOTPCHSA-N 0 0 303.361 4.564 1 0 DJAFRN Cc1ccc(-c2nc3ccc(C)cn3c2Cc2ccccn2)cc1 ZINC000095571045 185380508 /nfs/dbraw/zinc/38/05/08/185380508.db2.gz ALOXMJHJPMLKMV-UHFFFAOYSA-N 0 0 313.404 4.604 3 0 DJAFRN NC(=O)N1c2ccc(Cl)cc2C=Cc2cc(Cl)ccc21 ZINC000095577648 185380745 /nfs/dbraw/zinc/38/07/45/185380745.db2.gz DBIFDJZCYFHVDV-UHFFFAOYSA-N 0 0 305.164 4.694 1 0 DJAFRN Cc1ccc(C(C)C)c2cc(Cc3ccccc3O)c(=O)oc12 ZINC000095576456 185380810 /nfs/dbraw/zinc/38/08/10/185380810.db2.gz LPJIGZWNPQFFEE-UHFFFAOYSA-N 0 0 308.377 4.521 1 0 DJAFRN Cc1ccc(-n2c(Cn3ccnc3)cc3ccc(Cl)cc32)cc1 ZINC000095587427 185381479 /nfs/dbraw/zinc/38/14/79/185381479.db2.gz ZJXOFPLELJNSAA-UHFFFAOYSA-N 0 0 321.811 4.837 1 0 DJAFRN CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCO)O2 ZINC000096914570 185391125 /nfs/dbraw/zinc/39/11/25/185391125.db2.gz UEIPJHHLOSFGGH-FRYIKTPZSA-N 0 0 306.490 4.859 1 0 DJAFRN O=C(c1ccc(-c2ccc(O)c(Cl)c2)cc1)c1cccc(O)c1 ZINC000082153527 192362308 /nfs/dbraw/zinc/36/23/08/192362308.db2.gz KHDREIFFVIZQAM-UHFFFAOYSA-N 0 0 324.763 4.649 1 0 DJAFRN FC(F)(F)C1=NN=C(c2ccc(Cl)cc2)/C1=C\c1ccco1 ZINC000084602591 192444896 /nfs/dbraw/zinc/44/48/96/192444896.db2.gz VXIIXHJENNKTRA-XYOKQWHBSA-N 0 0 324.689 4.738 1 0 DJAFRN Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(F)cc2)n1 ZINC000072108837 191037998 /nfs/dbraw/zinc/03/79/98/191037998.db2.gz MHFAEQWEFZACHX-UHFFFAOYSA-N 0 0 318.355 4.816 1 0 DJAFRN Cn1ccc2cc(-c3ccc4oc(N5CCCC5)nc4c3)ccc21 ZINC000140473382 186026727 /nfs/dbraw/zinc/02/67/27/186026727.db2.gz WNQNEAHDERILFU-UHFFFAOYSA-N 0 0 317.392 4.587 1 0 DJAFRN c1c(C2CCCCC2)nnn1C(c1ccccc1)c1ccccc1 ZINC000072181916 191072294 /nfs/dbraw/zinc/07/22/94/191072294.db2.gz CRBCJGDMFIERAV-UHFFFAOYSA-N 0 0 317.436 4.964 1 0 DJAFRN Cc1csc2cc(C(=O)Nc3cccc(Cl)c3C)cnc12 ZINC000072323053 191121620 /nfs/dbraw/zinc/12/16/20/191121620.db2.gz RTBBOXINSRMXCP-UHFFFAOYSA-N 0 0 316.813 4.819 2 0 DJAFRN c1ccc(OCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000000085804 180687563 /nfs/dbraw/zinc/68/75/63/180687563.db2.gz GWQQGMUWCHQZCE-UHFFFAOYSA-N 0 0 300.361 4.605 1 0 DJAFRN Cn1c2ccccc2c2c1[C@@H]1Cc3c4ccccc4n(C)c3[C@@H]1C2 ZINC000001635355 180881409 /nfs/dbraw/zinc/88/14/09/180881409.db2.gz HZQZIMXMZLPAHS-QZTJIDSGSA-N 0 0 312.416 4.650 1 0 DJAFRN O=C1N(c2ccccc2)[C@]2(c3ccccc3)C[C@H]3CCC[C@]13S2 ZINC000001863623 180900167 /nfs/dbraw/zinc/90/01/67/180900167.db2.gz HZNSFJWOZITKMB-NSISKUIASA-N 0 0 321.445 4.562 1 0 DJAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)C2 ZINC000003992528 181060467 /nfs/dbraw/zinc/06/04/67/181060467.db2.gz XEJHUBFVQWSNJW-WSTZPKSXSA-N 0 0 302.458 4.517 1 0 DJAFRN C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCC1 ZINC000073403511 191312451 /nfs/dbraw/zinc/31/24/51/191312451.db2.gz HMRCUYGASMXTND-SUMWQHHRSA-N 0 0 316.445 4.516 1 0 DJAFRN CC(C)c1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000005134196 181208016 /nfs/dbraw/zinc/20/80/16/181208016.db2.gz DNJTUHNORWLHBQ-UHFFFAOYSA-N 0 0 310.422 4.915 3 0 DJAFRN C[C@@]12CC[C@@H](OC(=O)c3ccccc3)C[C@@H]1CCc1ccccc12 ZINC000005275895 181225750 /nfs/dbraw/zinc/22/57/50/181225750.db2.gz WZTOFZUQULCBTG-NNMXDRDESA-N 0 0 320.432 4.916 1 0 DJAFRN Cc1ccc2c(c1)-c1c3c(nn1C)-c1ccccc1S[C@@H]3O2 ZINC000005823949 181286764 /nfs/dbraw/zinc/28/67/64/181286764.db2.gz VFZJZLLVULVZED-SFHVURJKSA-N 0 0 306.390 4.559 1 0 DJAFRN CCCCc1c(CC)c(OC)c2ccccc2c1OC(C)=O ZINC000005831776 181287500 /nfs/dbraw/zinc/28/75/00/181287500.db2.gz DGGZMBWZBNGMDH-UHFFFAOYSA-N 0 0 300.398 4.679 1 0 DJAFRN Cc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 ZINC000005892468 181293776 /nfs/dbraw/zinc/29/37/76/181293776.db2.gz JEVPGEQVOZXWRA-OAQYLSRUSA-N 0 0 313.404 4.824 1 0 DJAFRN N=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1ccccc1 ZINC000005933997 181297870 /nfs/dbraw/zinc/29/78/70/181297870.db2.gz KGSHAJBYUHHTJW-UHFFFAOYSA-N 0 0 324.387 4.734 1 0 DJAFRN CC[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000006424656 181339813 /nfs/dbraw/zinc/33/98/13/181339813.db2.gz NMAMXUWRFJFECP-QDOXYTLXSA-N 0 0 314.469 4.635 1 0 DJAFRN COc1ccc2c(c1)sc1c2ncnc1Nc1ccc(C)cc1 ZINC000095594271 193445820 /nfs/dbraw/zinc/44/58/20/193445820.db2.gz VUCGPHXUWGCTFL-UHFFFAOYSA-N 0 0 321.405 4.905 1 0 DJAFRN C[C@@]12CC[C@@H](OC(=O)c3ccccc3)C[C@H]1CCc1ccccc12 ZINC000008681533 181572417 /nfs/dbraw/zinc/57/24/17/181572417.db2.gz WZTOFZUQULCBTG-WOIUINJBSA-N 0 0 320.432 4.916 1 0 DJAFRN Oc1ccc2c(c1)C[C@]1(C2)c2ccccc2C=C1c1ccccc1 ZINC000013487455 181855010 /nfs/dbraw/zinc/85/50/10/181855010.db2.gz SGBUUCIHANKAQI-HSZRJFAPSA-N 0 0 310.396 4.983 1 0 in-vivo DJAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCCO1 ZINC000013835234 181904955 /nfs/dbraw/zinc/90/49/55/181904955.db2.gz BNQOICJTIFVNJQ-MJCUULBUSA-N 0 0 312.453 4.798 1 0 DJAFRN O=C(CSc1ccccc1Oc1ccccc1)C(F)(F)F ZINC000013859403 181907655 /nfs/dbraw/zinc/90/76/55/181907655.db2.gz UCWUEHKBMMMIIH-UHFFFAOYSA-N 0 0 312.312 4.702 1 0 DJAFRN Nc1sc(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1 ZINC000019776168 182147271 /nfs/dbraw/zinc/14/72/71/182147271.db2.gz RHKSBBGKNMVTEV-UHFFFAOYSA-N 0 0 313.809 4.882 1 0 DJAFRN COc1ccc(-c2nc(C)sc2-c2ccc(OC)cc2)cc1 ZINC000023386339 182359352 /nfs/dbraw/zinc/35/93/52/182359352.db2.gz XBPHWPQFUOTPOG-UHFFFAOYSA-N 0 0 311.406 4.803 1 0 DJAFRN CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(cc(F)cc1F)[C@H]3O ZINC000026662420 182449055 /nfs/dbraw/zinc/44/90/55/182449055.db2.gz TVLDOKOBXPYHMO-SFHVURJKSA-N 0 0 313.347 4.634 1 0 DJAFRN CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccncc1 ZINC000027187233 182464446 /nfs/dbraw/zinc/46/44/46/182464446.db2.gz IVFXRNLKWBTXTF-UHFFFAOYSA-N 0 0 317.388 4.862 1 0 DJAFRN CN1c2ccccc2C[C@@H](c2ccccc2)N=C1c1ccccc1 ZINC000027407816 182471441 /nfs/dbraw/zinc/47/14/41/182471441.db2.gz ROPFPNCDXRTEDY-FQEVSTJZSA-N 0 0 312.416 4.867 1 0 DJAFRN C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 ZINC000029327241 182560844 /nfs/dbraw/zinc/56/08/44/182560844.db2.gz VTYIEOYGVYUNIX-BZNIZROVSA-N 0 0 320.223 4.794 1 0 DJAFRN Cn1cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000100629847 193802478 /nfs/dbraw/zinc/80/24/78/193802478.db2.gz WUCUCMLLCKOSJZ-LJQANCHMSA-N 0 0 321.424 4.897 1 0 DJAFRN C[C@H]1CC2=C(C(=O)O1)[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000101556030 193821016 /nfs/dbraw/zinc/82/10/16/193821016.db2.gz BKAXXJUAKNRSHW-SGTLLEGYSA-N 0 0 306.365 4.504 1 0 DJAFRN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)O[C@@H](C)C3)cc1 ZINC000101709458 193837672 /nfs/dbraw/zinc/83/76/72/193837672.db2.gz KZXGPNGPOAPKEG-DJJJIMSYSA-N 0 0 320.392 4.813 1 0 DJAFRN COc1cc([C@H]2C[C@H]2/C=C/c2ccccc2)cc(OC)c1OC ZINC000040406297 183062297 /nfs/dbraw/zinc/06/22/97/183062297.db2.gz RBAGFNBNYRHTDZ-AMMZPXFLSA-N 0 0 310.393 4.529 1 0 DJAFRN O=c1[nH]c2cc(Oc3ccccc3)ccc2n1CC1CCCCC1 ZINC000040762263 183130692 /nfs/dbraw/zinc/13/06/92/183130692.db2.gz RJKYWJUTUYFGPK-UHFFFAOYSA-N 0 0 322.408 4.702 1 0 DJAFRN Clc1cc2nc(SCc3ccncc3)[nH]c2cc1Cl ZINC000040913907 183148400 /nfs/dbraw/zinc/14/84/00/183148400.db2.gz CXWLDXYCBQXFJM-UHFFFAOYSA-N 0 0 310.209 4.557 1 0 DJAFRN c1ccc(-c2cc3ccncc3cc2OCc2ccncc2)cc1 ZINC000040940458 183149781 /nfs/dbraw/zinc/14/97/81/183149781.db2.gz UZVSTTJNFDYTPV-UHFFFAOYSA-N 0 0 312.372 4.876 1 0 DJAFRN COc1ccc2c(c1)C[C@H](C)C(c1cncc3ccccc31)=C2 ZINC000040975287 183153532 /nfs/dbraw/zinc/15/35/32/183153532.db2.gz QCSKVMGDCMKCLG-AWEZNQCLSA-N 0 0 301.389 4.976 1 0 DJAFRN COc1ccc2c(c1)C[C@@H](C)C(c1cncc3ccccc31)=C2 ZINC000040975285 183153569 /nfs/dbraw/zinc/15/35/69/183153569.db2.gz QCSKVMGDCMKCLG-CQSZACIVSA-N 0 0 301.389 4.976 1 0 DJAFRN COC(C)(C)[C@H](O)CC/C(C)=C/CC/C(C)=C/CCC(C)=O ZINC000040980178 183154541 /nfs/dbraw/zinc/15/45/41/183154541.db2.gz HMWOJWOBZVLXGN-CCPODNGTSA-N 0 0 310.478 4.595 1 0 DJAFRN CC1=C(c2ccccc2)N2C(=N[C@@H]3c4ccccc4CC[C@@H]32)S1 ZINC000049589863 183744761 /nfs/dbraw/zinc/74/47/61/183744761.db2.gz YPRUIGBGUYVZBV-ZWKOTPCHSA-N 0 0 318.445 4.850 1 0 DJAFRN O=C(OCc1ccccc1)c1ccc2[nH]c3ccccc3c2c1 ZINC000053243141 183894488 /nfs/dbraw/zinc/89/44/88/183894488.db2.gz YIWZHIIVPDYUIX-UHFFFAOYSA-N 0 0 301.345 4.678 1 0 DJAFRN COc1ccc(-c2ccccc2)cc1NC(=O)C1CCCCC1 ZINC000058590665 184124273 /nfs/dbraw/zinc/12/42/73/184124273.db2.gz ZBFJOJMTHZFIKO-UHFFFAOYSA-N 0 0 309.409 4.881 1 0 DJAFRN Cc1ccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cc1C ZINC000061904920 184194188 /nfs/dbraw/zinc/19/41/88/184194188.db2.gz SOCSFODVVZBCSP-KRWDZBQOSA-N 0 0 313.397 4.648 3 0 DJAFRN Cc1ccc([C@@](O)(c2nc3ccccc3s2)C2CC2)c(C)c1 ZINC000064549332 184299635 /nfs/dbraw/zinc/29/96/35/184299635.db2.gz PZJDSSBDEFJKFP-LJQANCHMSA-N 0 0 309.434 4.559 1 0 DJAFRN CC(C)c1ccc(-n2c(=O)oc3ccc(F)cc3c2=S)cc1 ZINC000064549974 184299715 /nfs/dbraw/zinc/29/97/15/184299715.db2.gz KNGLSCNMRXDKCT-UHFFFAOYSA-N 0 0 315.369 4.576 1 0 DJAFRN CCc1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=S)cc1 ZINC000064559148 184299870 /nfs/dbraw/zinc/29/98/70/184299870.db2.gz LQDCCOKFRBDHNQ-UHFFFAOYSA-N 0 0 317.797 4.529 1 0 DJAFRN Cc1ccccc1Nc1c(-c2cccs2)nc2ncccn21 ZINC000004903123 256517354 /nfs/dbraw/zinc/51/73/54/256517354.db2.gz RTIXDTVQOBAQBR-UHFFFAOYSA-N 0 0 306.394 4.510 1 0 DJAFRN C[C@@H]1CC[C@@]2(C)[C@H](C)CC(=O)C[C@@H]2[C@@]1(C)C[C@@H](O)c1ccoc1 ZINC000033831678 560088704 /nfs/dbraw/zinc/08/87/04/560088704.db2.gz HTVHDLXQOUSORC-IXFQNSDBSA-N 0 0 318.457 4.761 1 0 biogenic,in-vitro DJAFRN Oc1ccc(-c2nc3cc(O)cc(-c4cccs4)c3o2)cc1 ZINC000013583730 581101442 /nfs/dbraw/zinc/10/14/42/581101442.db2.gz NWLIKAKSXLGUIS-UHFFFAOYSA-N 0 0 309.346 4.635 1 0 DJAFRN COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1cccs1 ZINC000095554557 185379712 /nfs/dbraw/zinc/37/97/12/185379712.db2.gz ZEZHWNYYLAYPLE-YVLHZVERSA-N 0 0 306.390 4.604 1 0 DJAFRN COc1ccc2[nH]c(-c3cc(-c4cccc(F)c4)on3)cc2c1 ZINC000095560832 185379887 /nfs/dbraw/zinc/37/98/87/185379887.db2.gz QQOGIMAOWJMOMY-UHFFFAOYSA-N 0 0 308.312 4.638 1 0 DJAFRN COc1cc(/C=C/c2cc3ccccc3o2)cc(OC)c1OC ZINC000095561002 185379914 /nfs/dbraw/zinc/37/99/14/185379914.db2.gz KGQOYGBSVPZZNQ-CMDGGOBGSA-N 0 0 310.349 4.629 1 0 DJAFRN Fc1ccc(C2=NO[C@H]3CCCCCC[C@@H]23)cc1C(F)(F)F ZINC000095578416 185380731 /nfs/dbraw/zinc/38/07/31/185380731.db2.gz PTCNDYVSDJGJEI-RISCZKNCSA-N 0 0 315.310 4.918 1 0 DJAFRN Cc1ccc(Cc2cccc(COc3ccc(C)cc3)n2)cc1 ZINC000095581625 185381394 /nfs/dbraw/zinc/38/13/94/185381394.db2.gz XRNKKDKAXAGLDX-UHFFFAOYSA-N 0 0 303.405 4.868 1 0 DJAFRN COc1cc([C@@H]2C[C@H]2/C=C/c2ccccc2)cc(OC)c1OC ZINC000095585667 185381761 /nfs/dbraw/zinc/38/17/61/185381761.db2.gz RBAGFNBNYRHTDZ-FKLRVFMWSA-N 0 0 310.393 4.529 1 0 DJAFRN Nc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc21 ZINC000096907777 185390717 /nfs/dbraw/zinc/39/07/17/185390717.db2.gz DOOVOCKWYMYRGX-UHFFFAOYSA-N 0 0 303.390 4.608 1 0 DJAFRN Clc1ccc(-c2cnc(Nc3ccc4n[nH]cc4c3)o2)cc1 ZINC000096905700 185390859 /nfs/dbraw/zinc/39/08/59/185390859.db2.gz XYEYSZFSZZQEOJ-UHFFFAOYSA-N 0 0 310.744 4.615 1 0 DJAFRN Clc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 ZINC000096911332 185391326 /nfs/dbraw/zinc/39/13/26/185391326.db2.gz YJIJWKHWJDXHEC-UHFFFAOYSA-N 0 0 313.788 4.534 1 0 DJAFRN OCc1cc2c(o1)c1ccccc1n2Cc1ccccc1Cl ZINC000096917224 185391503 /nfs/dbraw/zinc/39/15/03/185391503.db2.gz FTAVRFWLDRLURH-UHFFFAOYSA-N 0 0 311.768 4.582 1 0 DJAFRN C[C@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000082035208 192352845 /nfs/dbraw/zinc/35/28/45/192352845.db2.gz OUSYQBSJZLHBEK-PSXZQQPGSA-N 0 0 320.517 4.531 1 0 DJAFRN COc1cc(/C=C/c2cccc(Oc3ccccc3)c2)oc(=O)c1 ZINC000082156436 192362735 /nfs/dbraw/zinc/36/27/35/192362735.db2.gz MRYPIYDPVCUZPN-ZHACJKMWSA-N 0 0 320.344 4.611 1 0 DJAFRN Cc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccccc21 ZINC000103250688 185440615 /nfs/dbraw/zinc/44/06/15/185440615.db2.gz URNSRCBJYLCWSG-UHFFFAOYSA-N 0 0 309.800 4.676 1 0 DJAFRN Oc1ccc([C@@H]2Nc3ccccc3-n3c2cc2ccccc23)cc1 ZINC000071341950 190961605 /nfs/dbraw/zinc/96/16/05/190961605.db2.gz HISRZDJMVBUMMM-NRFANRHFSA-N 0 0 312.372 4.851 1 0 DJAFRN Clc1ccc2nc(-c3ccco3)c(Cc3ccsc3)n2c1 ZINC000072138356 191048460 /nfs/dbraw/zinc/04/84/60/191048460.db2.gz SXKKMHGUKVFJBR-UHFFFAOYSA-N 0 0 314.797 4.900 3 0 DJAFRN O=C1CCCc2cc3c(cc2N1)[nH]c1cc(C(F)(F)F)ccc13 ZINC000072108068 191038067 /nfs/dbraw/zinc/03/80/67/191038067.db2.gz GKOBOJROAQVPNP-UHFFFAOYSA-N 0 0 318.298 4.615 1 0 DJAFRN O=C1N[C@@H](c2ccccc2)c2c3c(ccc2O1)oc1ccccc13 ZINC000072172075 191069352 /nfs/dbraw/zinc/06/93/52/191069352.db2.gz OBBXDTKPDPRMGE-IBGZPJMESA-N 0 0 315.328 4.777 1 0 DJAFRN Clc1ccc(CNc2nccc3c4ccccc4[nH]c32)cc1 ZINC000072176793 191071143 /nfs/dbraw/zinc/07/11/43/191071143.db2.gz QMPVKUIERXFRFY-UHFFFAOYSA-N 0 0 307.784 4.982 1 0 DJAFRN CCCCCNc1nc(SCCCCC)nc2ncccc21 ZINC000072182070 191072793 /nfs/dbraw/zinc/07/27/93/191072793.db2.gz CRXBNMKZNHAVMK-UHFFFAOYSA-N 0 0 318.490 4.909 1 0 DJAFRN CC[C@H](NCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000072185684 191073926 /nfs/dbraw/zinc/07/39/26/191073926.db2.gz UETAEOKKUJZYBP-SFHVURJKSA-N 0 0 310.372 4.722 1 0 DJAFRN Cc1cc2nc3n(c2cc1C)[C@@H](c1c(F)cccc1F)SC3 ZINC000001643593 180882673 /nfs/dbraw/zinc/88/26/73/180882673.db2.gz HCPAEUVAOSHABF-QGZVFWFLSA-N 0 0 316.376 4.725 1 0 DJAFRN CCOc1ccc(C(=O)c2cccc3ccccc32)cc1OCC ZINC000073165131 191286846 /nfs/dbraw/zinc/28/68/46/191286846.db2.gz XETZKCRXSHSPTB-UHFFFAOYSA-N 0 0 320.388 4.868 1 0 DJAFRN Cc1nc(-c2ccncc2C)n2c1c(C)nc1ccc(Cl)cc12 ZINC000073168802 191287576 /nfs/dbraw/zinc/28/75/76/191287576.db2.gz YLDDMTIJXUXGIW-UHFFFAOYSA-N 0 0 322.799 4.523 1 0 DJAFRN CCOc1ccc(C(=O)c2ccc3ccccc3c2)cc1OCC ZINC000073169250 191288314 /nfs/dbraw/zinc/28/83/14/191288314.db2.gz RVTOPRDKBOHSBC-UHFFFAOYSA-N 0 0 320.388 4.868 1 0 DJAFRN Cc1c2c(c(C)c(N)c1C)C[C@](C)(CCc1ccc(F)cc1)O2 ZINC000003776379 181045461 /nfs/dbraw/zinc/04/54/61/181045461.db2.gz MHYNVJVRWPXSMU-FQEVSTJZSA-N 0 0 313.416 4.660 1 0 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320.006 4.968 1 0 DJAFRN CC1(C)CC[C@H](O)[C@@]2(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]12 ZINC000029487549 190656083 /nfs/dbraw/zinc/65/60/83/190656083.db2.gz XUVGLDLMWDJMST-FIRLOTFOSA-N 0 0 314.469 4.635 1 0 DJAFRN CC[C@H](c1ccc(O)c(OC)c1)c1cccc(C(C)C)c1O ZINC000072120149 191040010 /nfs/dbraw/zinc/04/00/10/191040010.db2.gz UXIFHVIQBKXZQU-CQSZACIVSA-N 0 0 300.398 4.772 1 0 DJAFRN CCCCCNc1nc2ccccc2c(NCCCCC)n1 ZINC000072141216 191048756 /nfs/dbraw/zinc/04/87/56/191048756.db2.gz JYDVXKIIUMWINP-UHFFFAOYSA-N 0 0 300.450 4.834 1 0 DJAFRN Clc1cccc(CNc2nccc3c4ccccc4[nH]c32)c1 ZINC000072176885 191071115 /nfs/dbraw/zinc/07/11/15/191071115.db2.gz MXIAYYMQZFSLAW-UHFFFAOYSA-N 0 0 307.784 4.982 1 0 DJAFRN Clc1ccccc1CNc1nccc2c3ccccc3[nH]c21 ZINC000072176687 191071364 /nfs/dbraw/zinc/07/13/64/191071364.db2.gz OEXQJRPVXMTQQB-UHFFFAOYSA-N 0 0 307.784 4.982 1 0 DJAFRN CC(C)c1ccc(NCc2coc(-c3ccc(O)cc3)n2)cc1 ZINC000072185681 191073740 /nfs/dbraw/zinc/07/37/40/191073740.db2.gz FRGJVGWTZLRIEN-UHFFFAOYSA-N 0 0 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Fc1cccc(F)c1[C@@H]1SCc2nc3cc(Cl)ccc3n21 ZINC000013222669 181838394 /nfs/dbraw/zinc/83/83/94/181838394.db2.gz DOYMANWEFQYWJA-HNNXBMFYSA-N 0 0 322.767 4.762 1 0 DJAFRN Oc1ccc(C2(c3ccc(O)cc3)C3CCCC2CCC3)cc1 ZINC000013517937 181857572 /nfs/dbraw/zinc/85/75/72/181857572.db2.gz AEVJDLLHPPMGSW-UHFFFAOYSA-N 0 0 308.421 4.984 1 0 DJAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5occc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000013651799 181873524 /nfs/dbraw/zinc/87/35/24/181873524.db2.gz UUIOUWUAYNUKCZ-DGWDJNBYSA-N 0 0 314.469 4.598 1 0 DJAFRN CC[C@@]1(c2ccccc2)Cc2ccccc2-n2cccc2C1=O ZINC000013675366 181876649 /nfs/dbraw/zinc/87/66/49/181876649.db2.gz PBHVZXGYFPOEMG-NRFANRHFSA-N 0 0 301.389 4.564 1 0 DJAFRN Cc1nc2cc(-c3ccccc3)[nH]c2c(Nc2ccccc2)n1 ZINC000013835015 181904991 /nfs/dbraw/zinc/90/49/91/181904991.db2.gz HDLPVGHOVBWOPQ-UHFFFAOYSA-N 0 0 300.365 4.677 1 0 DJAFRN COC(=O)c1cc2c(cncc2Sc2ccc(C)cc2)s1 ZINC000013862326 181907462 /nfs/dbraw/zinc/90/74/62/181907462.db2.gz ZRGXRYWWKICVIL-UHFFFAOYSA-N 0 0 315.419 4.543 1 0 DJAFRN FC(F)(F)c1ccc(-c2cn(Cc3ccccc3)cn2)cc1 ZINC000014946218 181977127 /nfs/dbraw/zinc/97/71/27/181977127.db2.gz DRWRWALCWFLZQN-UHFFFAOYSA-N 0 0 302.299 4.617 1 0 DJAFRN Cc1ccc(SCCN2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000015937193 182025621 /nfs/dbraw/zinc/02/56/21/182025621.db2.gz YSWCMXBRVDUNHN-INIZCTEOSA-N 0 0 319.514 4.762 3 0 DJAFRN c1ccc(C2=N[C@@H](c3ccccc3)N3[C@@H]2[C@H]3c2ccccc2)cc1 ZINC000020506495 182226053 /nfs/dbraw/zinc/22/60/53/182226053.db2.gz GYTWZWMAZNKVQZ-KPRVRVNESA-N 0 0 310.400 4.614 2 0 DJAFRN CCCCOc1ccc(/C=C/c2ccc(NC(C)=O)cc2)cc1 ZINC000025993601 182428076 /nfs/dbraw/zinc/42/80/76/182428076.db2.gz GRNVYCRFQOLPLK-AATRIKPKSA-N 0 0 309.409 4.994 1 0 DJAFRN Cc1cn(C(=O)c2ccc(C)cc2)c(=S)n1-c1ccccc1C ZINC000098082794 193783216 /nfs/dbraw/zinc/78/32/16/193783216.db2.gz HQWPPELAJTWOMN-UHFFFAOYSA-N 0 0 322.433 4.622 1 0 DJAFRN c1ccc(-c2cc(-c3cccnc3)nc(-c3ccccn3)c2)cc1 ZINC000026580220 182447590 /nfs/dbraw/zinc/44/75/90/182447590.db2.gz GJYNLUDMTSJFDE-UHFFFAOYSA-N 0 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183140517 /nfs/dbraw/zinc/14/05/17/183140517.db2.gz LLDXHQGRHXLQFN-FQEVSTJZSA-N 0 0 305.425 4.616 1 0 DJAFRN O=C(Nc1ccc(-c2ccc(Cl)cc2)cn1)c1ccccc1 ZINC000040891550 183146257 /nfs/dbraw/zinc/14/62/57/183146257.db2.gz VLTWAAOQGXMXDI-UHFFFAOYSA-N 0 0 308.768 4.654 1 0 DJAFRN COc1ccc([C@H](OC)c2ccc(N(C)C)c3ccccc32)cc1 ZINC000040954295 183150612 /nfs/dbraw/zinc/15/06/12/183150612.db2.gz MKZJAGRWJLISRA-NRFANRHFSA-N 0 0 321.420 4.650 1 0 DJAFRN O=c1oc(OCCC2CCCCC2)c(Cl)c2ccccc12 ZINC000040954787 183151605 /nfs/dbraw/zinc/15/16/05/183151605.db2.gz KPFPKMOBHXDCNE-UHFFFAOYSA-N 0 0 306.789 4.796 1 0 DJAFRN Cc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2cccccc1-2 ZINC000043195353 183343900 /nfs/dbraw/zinc/34/39/00/183343900.db2.gz QJSLBNHQZCNYHL-ZDLGFXPLSA-N 0 0 303.336 4.732 1 0 DJAFRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nnc(-c2cccs2)o1 ZINC000103274432 193926228 /nfs/dbraw/zinc/92/62/28/193926228.db2.gz OOAJKRNXFWTPLO-XVKPBYJWSA-N 0 0 315.225 4.857 1 0 DJAFRN COc1ccc(-c2nc(-c3c[nH]c4ccccc43)co2)cc1OC 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C[C@@](O)(c1nc(-c2cc3ccccc3o2)cs1)c1ccccc1 ZINC000061895810 184193109 /nfs/dbraw/zinc/19/31/09/184193109.db2.gz ZZZMTDBOVOBSDF-IBGZPJMESA-N 0 0 321.401 4.812 3 0 DJAFRN O[C@@]1(C(F)(F)F)CCCc2c3cc(Cl)c(Cl)cc3[nH]c21 ZINC000064549998 184299522 /nfs/dbraw/zinc/29/95/22/184299522.db2.gz OZXBEIHRSWLQHT-LBPRGKRZSA-N 0 0 324.129 4.561 1 0 DJAFRN O[C@]1(C(F)(F)F)CCCc2c3cc(Cl)cc(Cl)c3[nH]c21 ZINC000064573265 184300356 /nfs/dbraw/zinc/30/03/56/184300356.db2.gz GLOACQUUNCBWQT-GFCCVEGCSA-N 0 0 324.129 4.561 1 0 DJAFRN CC(C)[C@H]1CC[C@@H]2[C@]34C[C@H]3[C@@]3(C)CC[C@]4(CC[C@]12C)C(=O)O3 ZINC000095909702 560059451 /nfs/dbraw/zinc/05/94/51/560059451.db2.gz PVBHKDWHAKOECD-HMJFWSPYSA-N 0 0 302.458 4.571 1 0 biogenic,in-vitro DJAFRN CC[C@]1(C)C[C@@H](O)C(=O)[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@]3(C4)CC[C@@H]12 ZINC000069481975 560078560 /nfs/dbraw/zinc/07/85/60/560078560.db2.gz HETYCMLUZUQZCY-IIDSPLMYSA-N 0 0 316.485 4.515 1 0 biogenic,in-vitro DJAFRN CC(C)c1cc2c(cc1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 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0 301.283 4.528 1 0 DJAFRN Fc1ccc(C2=NO[C@@H]3CCCCC[C@@H]23)cc1C(F)(F)F ZINC000095572592 185380420 /nfs/dbraw/zinc/38/04/20/185380420.db2.gz KEABUZHEZUGZSM-ZWNOBZJWSA-N 0 0 301.283 4.528 1 0 DJAFRN COc1cc(/C=C/c2ccc(OCCCF)cc2)cc(OC)c1 ZINC000095579526 185380762 /nfs/dbraw/zinc/38/07/62/185380762.db2.gz ZULYBXQEZWZPQA-SNAWJCMRSA-N 0 0 316.372 4.613 1 0 DJAFRN Fc1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(C(F)(F)F)c1 ZINC000095579576 185380830 /nfs/dbraw/zinc/38/08/30/185380830.db2.gz QPYQMDMYSOQRFO-WCQYABFASA-N 0 0 301.283 4.528 1 0 DJAFRN Cc1csc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1 ZINC000095583410 185380952 /nfs/dbraw/zinc/38/09/52/185380952.db2.gz IJGWEVGJJBQARB-GOSISDBHSA-N 0 0 320.417 4.828 1 0 DJAFRN Fc1ccc(C2=NO[C@H]3CCCCCC[C@H]23)c(C(F)(F)F)c1 ZINC000095580643 185381139 /nfs/dbraw/zinc/38/11/39/185381139.db2.gz LFKWVDHNWBUTDZ-JSGCOSHPSA-N 0 0 315.310 4.918 1 0 DJAFRN COc1ccc(-c2cc(Oc3cccc(OC)c3)ccn2)cc1 ZINC000095579870 185381295 /nfs/dbraw/zinc/38/12/95/185381295.db2.gz QBRFHDAWZNJHIS-UHFFFAOYSA-N 0 0 307.349 4.558 1 0 DJAFRN Cc1cccc(-c2ccc(Cn3cccc(O)c3=S)cc2)c1 ZINC000095587958 185381550 /nfs/dbraw/zinc/38/15/50/185381550.db2.gz VCVFDFCFZRXJQH-UHFFFAOYSA-N 0 0 307.418 4.947 1 0 DJAFRN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc3ccccc32)cc1 ZINC000096915215 185391299 /nfs/dbraw/zinc/39/12/99/185391299.db2.gz FMQFXEZNVQTWAV-HXUWFJFHSA-N 0 0 319.429 4.927 1 0 DJAFRN CCCCCn1c2ccccc2c2cc(C(=O)OCC)ncc21 ZINC000096938360 185392966 /nfs/dbraw/zinc/39/29/66/185392966.db2.gz SMIQBGJYAHZANN-UHFFFAOYSA-N 0 0 310.397 4.556 1 0 DJAFRN C/C1=C\CC/C(C)=C\[C@H](O)C[C@](C)(O)/C=C\[C@H](C(C)C)CC1 ZINC000090628626 185307431 /nfs/dbraw/zinc/30/74/31/185307431.db2.gz RIVKDDXPCFBMOV-PAKBLTCFSA-N 0 0 306.490 4.783 1 0 DJAFRN C[C@]1(c2ccccc2)CCN(c2cccc(Cl)c2)C(=O)O1 ZINC000072116815 191038679 /nfs/dbraw/zinc/03/86/79/191038679.db2.gz DBQPIDKKFFBXHS-QGZVFWFLSA-N 0 0 301.773 4.602 1 0 DJAFRN C[C@]1(c2ccccc2)CCN(c2ccc(Cl)cc2)C(=O)O1 ZINC000072116761 191039059 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/nfs/dbraw/zinc/07/04/62/191070462.db2.gz IDFDGQMNVDQNTK-UHFFFAOYSA-N 0 0 307.784 4.982 1 0 DJAFRN Clc1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 ZINC000072177043 191071514 /nfs/dbraw/zinc/07/15/14/191071514.db2.gz RMVTUCNOSKCGCJ-UHFFFAOYSA-N 0 0 307.784 4.982 1 0 DJAFRN Cc1csc2cc(C(=O)Nc3ccc(C)c(Cl)c3)cnc12 ZINC000072323054 191122183 /nfs/dbraw/zinc/12/21/83/191122183.db2.gz CWNZZBWDISFAKS-UHFFFAOYSA-N 0 0 316.813 4.819 2 0 DJAFRN CC(=O)CC[C@H]1[C@@H](C[C@@H](C)C(=O)c2ccc(O)c(C)c2)C1(C)C ZINC000095099205 290936019 /nfs/dbraw/zinc/93/60/19/290936019.db2.gz XBFZOHMYMWZROB-XOKHGSTOSA-N 0 0 316.441 4.551 1 0 biogenic,in-vitro DJAFRN FC(F)(F)c1ccccc1-c1ncnn1-c1ccc(Cl)cc1 ZINC000000218577 180730158 /nfs/dbraw/zinc/73/01/58/180730158.db2.gz GGMQWMVPXASGJK-UHFFFAOYSA-N 0 0 323.705 4.607 1 0 DJAFRN Cc1cc(C)n2c(nc(CC(C)C)c2Nc2c(C)cccc2C)n1 ZINC000000320625 180759125 /nfs/dbraw/zinc/75/91/25/180759125.db2.gz NDNAGXZOJJKUOS-UHFFFAOYSA-N 0 0 322.456 4.905 3 0 DJAFRN Cc1ccn2c(c1)nc(-c1ccccc1)c2NCc1ccco1 ZINC000004848438 181162467 /nfs/dbraw/zinc/16/24/67/181162467.db2.gz DRJACFNPQVCNBN-UHFFFAOYSA-N 0 0 303.365 4.515 1 0 DJAFRN C/C1=C\[C@H](O)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C\CC1 ZINC000005132433 181208089 /nfs/dbraw/zinc/20/80/89/181208089.db2.gz RIVKDDXPCFBMOV-NDQQFGIASA-N 0 0 306.490 4.783 1 0 DJAFRN Cc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 ZINC000005892424 181293825 /nfs/dbraw/zinc/29/38/25/181293825.db2.gz JEVPGEQVOZXWRA-NRFANRHFSA-N 0 0 313.404 4.824 1 0 DJAFRN C/C1=C\C=C(/C(C)(C)O)[C@@H](O)C/C(C)=C\CC/C(C)=C/CC1 ZINC000195339227 201381314 /nfs/dbraw/zinc/38/13/14/201381314.db2.gz SAZDJCIBQKXMSM-RVFQJPMUSA-N 0 0 304.474 4.848 1 0 DJAFRN COC(=O)c1cc2oc3ccccc3c2n1Cc1ccc(C)cc1 ZINC000006750635 181383131 /nfs/dbraw/zinc/38/31/31/181383131.db2.gz BFHVRSQIWSGWKW-UHFFFAOYSA-N 0 0 319.360 4.531 1 0 DJAFRN c1c2ncnc(NCc3ccccc3)c2sc1-c1ccccc1 ZINC000013588157 181866227 /nfs/dbraw/zinc/86/62/27/181866227.db2.gz BLFZNAYMDSJOEJ-UHFFFAOYSA-N 0 0 317.417 4.970 1 0 DJAFRN CC1=C2CC/C(C)=C\CC[C@@H](C)C(=O)CC/C(C)=C/[C@@H]2OC1=O ZINC000014691144 181965657 /nfs/dbraw/zinc/96/56/57/181965657.db2.gz HKOGWSMBRHOKTR-PALMUWOLSA-N 0 0 316.441 4.680 1 0 DJAFRN C[C@@H]1C=C[C@@H](C)[C@@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000016955407 182065901 /nfs/dbraw/zinc/06/59/01/182065901.db2.gz URBRMKMYZLDTHF-XNFNUYLZSA-N 0 0 318.416 4.827 1 0 DJAFRN Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCC2 ZINC000019776224 182146838 /nfs/dbraw/zinc/14/68/38/182146838.db2.gz ULVNQPQEQWFJDV-UHFFFAOYSA-N 0 0 319.429 4.717 1 0 DJAFRN CCOC(=O)c1sc2ccccc2c1Nc1ccc(F)cc1 ZINC000028571148 182530092 /nfs/dbraw/zinc/53/00/92/182530092.db2.gz CLCSQFCNYVUHJD-UHFFFAOYSA-N 0 0 315.369 4.961 1 0 DJAFRN CC[C@@H](c1cc(-c2ccc(F)c(F)c2)cs1)n1ccnc1 ZINC000029131303 182553529 /nfs/dbraw/zinc/55/35/29/182553529.db2.gz LHQBOBSDAYQVIZ-HNNXBMFYSA-N 0 0 304.365 4.889 1 0 DJAFRN Cc1ccc([C@H]2CC(=O)Oc3ccc4cc(C)ccc4c32)cc1 ZINC000029135849 182554270 /nfs/dbraw/zinc/55/42/70/182554270.db2.gz FFMUDELSZJEJKF-GOSISDBHSA-N 0 0 302.373 4.898 1 0 DJAFRN Cc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 ZINC000100068464 193794798 /nfs/dbraw/zinc/79/47/98/193794798.db2.gz HEYDQOFVQHBNAX-UHFFFAOYSA-N 0 0 317.367 4.546 1 0 DJAFRN CC[C@H]1C[C@@H](C)c2cc3c(cc2N1)oc(=O)cc3C(F)(F)F ZINC000100827400 193804548 /nfs/dbraw/zinc/80/45/48/193804548.db2.gz OEPZGYKIBZAXIN-BDAKNGLRSA-N 0 0 311.303 4.510 1 0 DJAFRN Nc1ccc(/C=C/C=C/C=C/c2ccc(NCCF)cc2)cc1 ZINC000036143489 182807014 /nfs/dbraw/zinc/80/70/14/182807014.db2.gz FVHZSWVKULWXON-CRQXNEITSA-N 0 0 308.400 4.933 1 0 DJAFRN Clc1ccc(-c2ccnc(-c3ccccn3)n2)cc1Cl ZINC000038600282 183003452 /nfs/dbraw/zinc/00/34/52/183003452.db2.gz TUYINAUNZVWOCW-UHFFFAOYSA-N 0 0 302.164 4.512 1 0 DJAFRN COc1ccccc1[C@](C)(O)/C=C/C1=C(C)CCCC1(C)C ZINC000038926745 183012593 /nfs/dbraw/zinc/01/25/93/183012593.db2.gz XEDFAKIVTPUUOS-CMQXMCPJSA-N 0 0 300.442 4.986 1 0 DJAFRN CCCCC(=O)c1cnc2ccc(-c3ccccc3)cc2c1O ZINC000040827657 183138207 /nfs/dbraw/zinc/13/82/07/183138207.db2.gz OBIBYDMAXSQQGL-UHFFFAOYSA-N 0 0 305.377 4.568 1 0 DJAFRN CC1=CCC[C@@H]2[C@]3(CCc4ccoc4)C(=O)O[C@H](C[C@@]12C)[C@H]3C ZINC000042923173 183318860 /nfs/dbraw/zinc/31/88/60/183318860.db2.gz ZPVBIJINMBNDCY-WGLCMCTQSA-N 0 0 314.425 4.526 1 0 DJAFRN Cc1nc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000043064408 183333460 /nfs/dbraw/zinc/33/34/60/183333460.db2.gz BBMSPRHXDZFSPK-UHFFFAOYSA-N 0 0 303.287 4.701 1 0 DJAFRN COc1ccc2c(c1)sc1c2cc(-c2ccccc2)oc1=O ZINC000043079275 183335202 /nfs/dbraw/zinc/33/52/02/183335202.db2.gz LIDSOAHJEUKIPU-UHFFFAOYSA-N 0 0 308.358 4.683 1 0 DJAFRN Cc1sc(Nc2ccc3c(c2)CCC3)nc1-c1ccncc1 ZINC000045302327 183496548 /nfs/dbraw/zinc/49/65/48/183496548.db2.gz VHZMMNZIQOBKQN-UHFFFAOYSA-N 0 0 307.422 4.746 1 0 DJAFRN S=C1Nc2ccc(Cl)cc2CN1CCC1CCCCC1 ZINC000045373031 183502131 /nfs/dbraw/zinc/50/21/31/183502131.db2.gz VGNFRDFHRDSAFT-UHFFFAOYSA-N 0 0 308.878 4.823 1 0 DJAFRN Fc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c43)cc1 ZINC000045368012 183502234 /nfs/dbraw/zinc/50/22/34/183502234.db2.gz GIOSYHLAACJPJI-LJQANCHMSA-N 0 0 315.351 4.884 1 0 DJAFRN CCCCC1=Cc2ccc(Cl)cc2[P@](=O)(OCC)O1 ZINC000049783945 183758760 /nfs/dbraw/zinc/75/87/60/183758760.db2.gz ORYDRHADRMQBNJ-IBGZPJMESA-N 0 0 300.722 4.756 1 0 DJAFRN Cc1ccc(C[C@@]2(C)C(=O)Nc3c2c(Cl)ccc3Cl)cc1 ZINC000061926446 184196179 /nfs/dbraw/zinc/19/61/79/184196179.db2.gz VEIZTYHGCMDPCK-QGZVFWFLSA-N 0 0 320.219 4.754 3 0 DJAFRN Cc1ccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1 ZINC000061926484 184196344 /nfs/dbraw/zinc/19/63/44/184196344.db2.gz ZILCMCHFYSDYMG-HXUWFJFHSA-N 0 0 314.388 4.620 3 0 DJAFRN Cc1ccc2ccccc2c1[C@H](O)c1nc(-c2ccccc2)c[nH]1 ZINC000061895903 184193046 /nfs/dbraw/zinc/19/30/46/184193046.db2.gz UXEUZHORDAEVSE-FQEVSTJZSA-N 0 0 314.388 4.620 3 0 DJAFRN CCCCn1c2ccccc2c2ccnc(Br)c21 ZINC000064446516 184297171 /nfs/dbraw/zinc/29/71/71/184297171.db2.gz MDVHHFYNSIOHDS-UHFFFAOYSA-N 0 0 303.203 4.752 1 0 DJAFRN CC1=N[C@H](C)Cc2c(-c3cccc4ccccc43)ccc(O)c21 ZINC000064454417 184297370 /nfs/dbraw/zinc/29/73/70/184297370.db2.gz OMIXRGPRFMDONE-CYBMUJFWSA-N 0 0 301.389 4.966 1 0 DJAFRN Cc1[nH]c2cc(Cl)c(Cl)cc2c(=O)c1-c1ccccc1 ZINC000064541060 184299364 /nfs/dbraw/zinc/29/93/64/184299364.db2.gz UBRMHUCDWLYMTA-UHFFFAOYSA-N 0 0 304.176 4.810 1 0 DJAFRN ON[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000064587490 184301163 /nfs/dbraw/zinc/30/11/63/184301163.db2.gz CNVVAECHCZOKCI-CYBMUJFWSA-N 0 0 300.572 4.695 1 0 DJAFRN Cc1cc(-c2cccc3cc[nH]c32)cc2c1NC(C)(C)[C@H](O)[C@H]2C ZINC000066076087 184387063 /nfs/dbraw/zinc/38/70/63/184387063.db2.gz KBVAAPQYHHBNTR-RNODOKPDSA-N 0 0 320.436 4.812 1 0 DJAFRN O=C(Cc1cccnc1)c1cc2cc(-c3ccccc3)ccc2[nH]1 ZINC000066075436 184387222 /nfs/dbraw/zinc/38/72/22/184387222.db2.gz XGMKDFJPTZRWLD-UHFFFAOYSA-N 0 0 312.372 4.655 1 0 DJAFRN c1c2ccc(Cc3ccccc3)cc2[nH]c1-c1[nH]nc2cccnc21 ZINC000066079104 184387393 /nfs/dbraw/zinc/38/73/93/184387393.db2.gz IQUQJZMUWIUVSL-UHFFFAOYSA-N 0 0 324.387 4.697 1 0 DJAFRN Oc1cccc(-c2ccc3c(ccc(O)c3-c3cccnc3)c2)c1 ZINC000066103270 184389770 /nfs/dbraw/zinc/38/97/70/184389770.db2.gz AXMKFPDKHLZNID-UHFFFAOYSA-N 0 0 313.356 4.980 1 0 DJAFRN CC(C)(C)OC(=O)C(C)(C)c1nc(-c2ccc(F)cc2)cs1 ZINC000319614091 333323607 /nfs/dbraw/zinc/32/36/07/333323607.db2.gz XRPXFUPYNBYDDS-UHFFFAOYSA-N 0 0 321.417 4.569 1 0 DJAFRN CC[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@@H](O)C[C@@H]21 ZINC000095912106 560057559 /nfs/dbraw/zinc/05/75/59/560057559.db2.gz GSYGABCZSUAKHS-QIXFSGBHSA-N 0 0 308.506 4.697 1 0 biogenic,in-vitro DJAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)[C@H]1CC2 ZINC000095912012 560057628 /nfs/dbraw/zinc/05/76/28/560057628.db2.gz ZSMYLYMVTJVQIR-VAMGGRTRSA-N 0 0 302.458 4.518 1 0 biogenic,in-vitro DJAFRN CC(C)c1c(O)ccc2c1CC[C@@H]1[C@@](C)(CO)CCC[C@]21C ZINC000001556415 560182116 /nfs/dbraw/zinc/18/21/16/560182116.db2.gz NFEAIVZJRVEKFD-MISYRCLQSA-N 0 0 302.458 4.518 3 0 in-vitro DJAFRN Cc1c(O)c2c(c3c1OC(C)(C)C=C3)C=Cc1c(O)cccc1O2 ZINC000013375721 560215467 /nfs/dbraw/zinc/21/54/67/560215467.db2.gz BQFBLGBPUARBGM-UHFFFAOYSA-N 0 0 322.360 4.867 1 0 in-vitro DJAFRN C/C1=C\CC[C@@](C)(O)/C=C/C[C@@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000013384749 560216119 /nfs/dbraw/zinc/21/61/19/560216119.db2.gz AOQMWFKDNPIGHO-SSZGVQAKSA-N 0 0 306.490 4.783 1 0 biogenic,in-vitro DJAFRN Cc1cccc([C@H]2N[C@H](c3cccc(C)c3)[C@@H](C)C(=O)[C@@H]2C)c1 ZINC000169302548 563646373 /nfs/dbraw/zinc/64/63/73/563646373.db2.gz AHESAKCLGLIIOI-YKCBXCCJSA-N 0 0 307.437 4.530 1 0 DJAFRN CC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C ZINC000013779206 581095098 /nfs/dbraw/zinc/09/50/98/581095098.db2.gz YFUHWDPSKXJUAK-UHFFFAOYSA-N 0 0 308.421 4.885 1 0 DJAFRN CC(C)[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000095552490 185379321 /nfs/dbraw/zinc/37/93/21/185379321.db2.gz CMWQZUPPKUGMEP-HXUWFJFHSA-N 0 0 322.452 4.665 1 0 DJAFRN COc1cccc(-c2csc(-c3cc(OC)ccc3F)n2)c1 ZINC000095561486 185380105 /nfs/dbraw/zinc/38/01/05/185380105.db2.gz ZUXVSOHUMMBRKE-UHFFFAOYSA-N 0 0 315.369 4.633 1 0 DJAFRN Fc1ccc(C2=NO[C@@H]3CCCCCC[C@H]23)cc1C(F)(F)F ZINC000095578415 185380746 /nfs/dbraw/zinc/38/07/46/185380746.db2.gz PTCNDYVSDJGJEI-SMDDNHRTSA-N 0 0 315.310 4.918 1 0 DJAFRN O=C(NCc1ccccc1)N1c2ccccc2Oc2ccccc21 ZINC000095577518 185380873 /nfs/dbraw/zinc/38/08/73/185380873.db2.gz AMPGXADARHMNHS-UHFFFAOYSA-N 0 0 316.360 4.840 1 0 DJAFRN S=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 ZINC000095582682 185381345 /nfs/dbraw/zinc/38/13/45/185381345.db2.gz SLGDMPYQLCTMDZ-UHFFFAOYSA-N 0 0 323.417 4.666 1 0 DJAFRN Oc1ccc(F)c(-c2ccc(-c3cc(O)ccc3F)s2)c1 ZINC000095587535 185381821 /nfs/dbraw/zinc/38/18/21/185381821.db2.gz FZPLZDPOWKGBSJ-UHFFFAOYSA-N 0 0 304.317 4.772 1 0 DJAFRN Clc1ccc([C@@H]2C[C@@H]3Cc4cc(Cl)ccc4N2O3)cc1 ZINC000096900632 185390402 /nfs/dbraw/zinc/39/04/02/185390402.db2.gz IMMJTEJZXCXFBR-HOCLYGCPSA-N 0 0 306.192 4.801 1 0 DJAFRN Clc1ccc2c(c1)C[C@H]1C[C@@H](c3ccccc3Cl)N2O1 ZINC000096900625 185390612 /nfs/dbraw/zinc/39/06/12/185390612.db2.gz MOHAXXMLZOBXKE-LRDDRELGSA-N 0 0 306.192 4.801 1 0 DJAFRN CC1=C(C(=O)Nc2ccsc2[C@@H](C)CC(C)C)CCCO1 ZINC000103200419 185438194 /nfs/dbraw/zinc/43/81/94/185438194.db2.gz NMMRRAKRULCVNX-LBPRGKRZSA-N 0 0 307.459 4.921 1 0 DJAFRN Cc1ccc2nc(-c3ccco3)c(Cc3cccc(F)c3)n2c1 ZINC000072102108 191037097 /nfs/dbraw/zinc/03/70/97/191037097.db2.gz NWKYLULTQGAEFN-UHFFFAOYSA-N 0 0 306.340 4.633 3 0 DJAFRN CCS[C@@H](CC(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000072115056 191037729 /nfs/dbraw/zinc/03/77/29/191037729.db2.gz XXDCATIIZPFAFR-SFHVURJKSA-N 0 0 300.423 4.762 1 0 DJAFRN C[C@]1(c2ccccc2)CCN(c2ccccc2Cl)C(=O)O1 ZINC000072116703 191039560 /nfs/dbraw/zinc/03/95/60/191039560.db2.gz PNIHGQHDPPRIPD-QGZVFWFLSA-N 0 0 301.773 4.602 1 0 DJAFRN c1ccc(-c2ccc(S[C@@H]3CCCc4ccccc43)nn2)nc1 ZINC000072141127 191049468 /nfs/dbraw/zinc/04/94/68/191049468.db2.gz BVNWEMBLNBBWQD-GOSISDBHSA-N 0 0 319.433 4.708 1 0 DJAFRN Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(C)cc3)co2)cc1 ZINC000072184259 191071647 /nfs/dbraw/zinc/07/16/47/191071647.db2.gz VMAPRFWYLAMSMX-INIZCTEOSA-N 0 0 306.409 4.809 1 0 DJAFRN Cc1cccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)c1 ZINC000072186349 191073023 /nfs/dbraw/zinc/07/30/23/191073023.db2.gz BZUVLAKVZILLGU-UHFFFAOYSA-N 0 0 322.452 4.708 1 0 DJAFRN Cc1cn(Cc2coc(-c3ccc(C(C)(C)C)cc3)n2)c(C)n1 ZINC000072185337 191073035 /nfs/dbraw/zinc/07/30/35/191073035.db2.gz DJBSOCSHBCCZJH-UHFFFAOYSA-N 0 0 309.413 4.501 1 0 DJAFRN CC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1 ZINC000084653569 192451490 /nfs/dbraw/zinc/45/14/90/192451490.db2.gz JUWBRBFRRKTLLO-UHFFFAOYSA-N 0 0 319.408 4.806 1 0 DJAFRN CCCCn1cc(C(=O)Nc2cc(C)cc(C)c2)c2cccnc21 ZINC000072323486 191121534 /nfs/dbraw/zinc/12/15/34/191121534.db2.gz LHUKTOWYNFRZDM-UHFFFAOYSA-N 0 0 321.424 4.706 2 0 DJAFRN Cc1cccc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)c1C ZINC000072323189 191122250 /nfs/dbraw/zinc/12/22/50/191122250.db2.gz MPCOPTUYCDJWIU-UHFFFAOYSA-N 0 0 321.424 4.660 2 0 DJAFRN C/C1=C\CC/C(C)=C/[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000029058529 290934774 /nfs/dbraw/zinc/93/47/74/290934774.db2.gz RIVKDDXPCFBMOV-PZSVDHCGSA-N 0 0 306.490 4.783 1 0 biogenic,in-vitro DJAFRN CC(C)=CCc1ccc2c(c1)[C@@H]1Oc3cc(O)ccc3[C@H]1CO2 ZINC000095486077 290936562 /nfs/dbraw/zinc/93/65/62/290936562.db2.gz XZLSYZVFSUOLCA-XLIONFOSSA-N 0 0 308.377 4.511 1 0 biogenic,in-vitro DJAFRN CCCCCCc1ccc(CCc2ccc(O)c(OC)c2)o1 ZINC000013310882 290937628 /nfs/dbraw/zinc/93/76/28/290937628.db2.gz WZHSIDQBPQYZNL-UHFFFAOYSA-N 0 0 302.414 4.902 1 0 endogenous,in-man DJAFRN CCCCC[C@H](CCCCc1ccc(O)c(OC)c1)OC(C)=O ZINC000059588608 290937971 /nfs/dbraw/zinc/93/79/71/290937971.db2.gz PRDMIHPNLYATSW-QGZVFWFLSA-N 0 0 322.445 4.626 1 0 biogenic,in-vitro DJAFRN CN1C[C@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21 ZINC000073160752 191287242 /nfs/dbraw/zinc/28/72/42/191287242.db2.gz OJHFHFQRLRFUTR-OAQYLSRUSA-N 0 0 301.389 4.924 1 0 DJAFRN CCn1ccc2cc([C@@H](c3ccc(F)cc3)n3ccnc3)ccc21 ZINC000003917253 181058103 /nfs/dbraw/zinc/05/81/03/181058103.db2.gz OTIGTACSUNMYAA-HXUWFJFHSA-N 0 0 319.383 4.635 1 0 DJAFRN CC(C)Oc1cc(-c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000073280167 191299584 /nfs/dbraw/zinc/29/95/84/191299584.db2.gz LZCHVOKXAAYWSS-UHFFFAOYSA-N 0 0 306.409 4.755 1 0 DJAFRN Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2sccn21 ZINC000004597533 181128946 /nfs/dbraw/zinc/12/89/46/181128946.db2.gz BQWRASZIBMTOET-UHFFFAOYSA-N 0 0 320.421 4.818 1 0 DJAFRN O=C(Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)n1cccc1 ZINC000005055270 181198102 /nfs/dbraw/zinc/19/81/02/181198102.db2.gz FKTRHCIEGKRZSE-SFHVURJKSA-N 0 0 324.811 4.564 1 0 DJAFRN CCOC[C@@H](C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21 ZINC000005139837 181208465 /nfs/dbraw/zinc/20/84/65/181208465.db2.gz ZZHFGUKEUYKLDX-OAHLLOKOSA-N 0 0 321.420 4.778 1 0 DJAFRN CC1=CC[C@@H]2C[C@H]1C(C(=O)c1c[nH]c3ccccc13)=NC2(C)C ZINC000005757653 181281697 /nfs/dbraw/zinc/28/16/97/181281697.db2.gz SEFQLMNDSVHUGG-UKRRQHHQSA-N 0 0 306.409 4.556 1 0 DJAFRN Fc1ccc([C@@](F)(c2cncnc2)c2ccccc2Cl)cc1 ZINC000006095442 181312813 /nfs/dbraw/zinc/31/28/13/181312813.db2.gz CDSRNQCFNULNQW-QGZVFWFLSA-N 0 0 316.738 4.531 1 0 DJAFRN Clc1ccc([C@@H]2c3ccc(Cl)cc3-c3ncncc32)cc1 ZINC000006093234 181311865 /nfs/dbraw/zinc/31/18/65/181311865.db2.gz ZKGILAGEAKMIIG-MRXNPFEDSA-N 0 0 313.187 4.944 1 0 DJAFRN Fc1ccc([C@](F)(c2cncnc2)c2ccccc2Cl)cc1 ZINC000006095473 181312545 /nfs/dbraw/zinc/31/25/45/181312545.db2.gz CDSRNQCFNULNQW-KRWDZBQOSA-N 0 0 316.738 4.531 1 0 DJAFRN CCOC(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1 ZINC000006403788 181338558 /nfs/dbraw/zinc/33/85/58/181338558.db2.gz OMIPKISOSVSNES-UHFFFAOYSA-N 0 0 323.367 4.519 1 0 DJAFRN COc1ccc(C2=Nc3ccccc3S[C@@H](C)C2)cc1OC ZINC000006480862 181344147 /nfs/dbraw/zinc/34/41/47/181344147.db2.gz VPZLURDTWPWZGJ-LBPRGKRZSA-N 0 0 313.422 4.709 1 0 DJAFRN CC(C)c1c(O)ccc2c1CC[C@H]1[C@@]2(C)CCC[C@]1(C)CO ZINC000008681239 181572305 /nfs/dbraw/zinc/57/23/05/181572305.db2.gz NFEAIVZJRVEKFD-RLLQIKCJSA-N 0 0 302.458 4.518 3 0 in-vitro DJAFRN FC(F)(F)c1cccnc1Sc1nc2ccccc2s1 ZINC000013222871 181838479 /nfs/dbraw/zinc/83/84/79/181838479.db2.gz ZHZQQNCMAAAFDU-UHFFFAOYSA-N 0 0 312.341 4.861 1 0 DJAFRN CC/C=C/[C@H](CC)C[C@]1(CC)C=C(CC)/C(=C/C(=O)OC)O1 ZINC000013458511 181851871 /nfs/dbraw/zinc/85/18/71/181851871.db2.gz KQEJJCDYCOPPSL-NMKLUNCLSA-N 0 0 306.446 4.941 1 0 DJAFRN Cc1cccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1 ZINC000013684394 181879308 /nfs/dbraw/zinc/87/93/08/181879308.db2.gz HMNGAGOWDHFPFL-UHFFFAOYSA-N 0 0 312.376 4.509 1 0 DJAFRN c1cc2nc(-c3ccccc3)nc(NCc3ccccc3)c2s1 ZINC000013781383 181895303 /nfs/dbraw/zinc/89/53/03/181895303.db2.gz DIFMLVKPCQLZQY-UHFFFAOYSA-N 0 0 317.417 4.970 1 0 DJAFRN CC[C@@H](C)[C@H]1CNC(=S)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000015952545 182025697 /nfs/dbraw/zinc/02/56/97/182025697.db2.gz YDSSMLMHHCUHKK-VWSOIFEKSA-N 0 0 320.546 4.609 3 0 DJAFRN CCCC[C@@H]1CNC(=S)N1CCc1cccc2ccccc21 ZINC000015952976 182026781 /nfs/dbraw/zinc/02/67/81/182026781.db2.gz CLKHAOBENXLRAU-QGZVFWFLSA-N 0 0 312.482 4.543 3 0 DJAFRN CN(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000016951375 182065703 /nfs/dbraw/zinc/06/57/03/182065703.db2.gz LYCDYVURSXYADR-SFTDATJTSA-N 0 0 303.405 4.598 1 0 DJAFRN Cc1cccc(-c2nc3ncccn3c2NC2CCC(C)CC2)c1 ZINC000021631323 182281614 /nfs/dbraw/zinc/28/16/14/182281614.db2.gz MGJOPKJNHIPKCF-UHFFFAOYSA-N 0 0 320.440 4.695 1 0 DJAFRN CCOc1cc(-c2cccc(F)c2)cnc1Nc1cccc(C)n1 ZINC000028528161 182527051 /nfs/dbraw/zinc/52/70/51/182527051.db2.gz IPDVTRZYAHHNMH-UHFFFAOYSA-N 0 0 323.371 4.733 1 0 DJAFRN CCCCc1cnnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000028825638 182540835 /nfs/dbraw/zinc/54/08/35/182540835.db2.gz KWCDETUHFZCWEV-UHFFFAOYSA-N 0 0 304.608 4.570 1 0 DJAFRN COP(=O)(OC)[C@@H](/C=C/c1ccccc1)Nc1ccccc1 ZINC000034892719 182741646 /nfs/dbraw/zinc/74/16/46/182741646.db2.gz JCYGETVSCSXWBM-CLVCIHKQSA-N 0 0 317.325 4.624 1 0 DJAFRN CN1C(=O)C(c2[nH]c3ccccc3c2N=O)c2cccc(F)c21 ZINC000036473557 182826417 /nfs/dbraw/zinc/82/64/17/182826417.db2.gz JMVDKEKLBLCLCF-UHFFFAOYSA-N 0 0 309.300 4.569 1 0 DJAFRN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)O[C@@H](C)C3)cc1 ZINC000101709453 193837497 /nfs/dbraw/zinc/83/74/97/193837497.db2.gz KZXGPNGPOAPKEG-ORAYPTAESA-N 0 0 320.392 4.813 1 0 DJAFRN C[C@@H](CCO)CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000039086453 183014406 /nfs/dbraw/zinc/01/44/06/183014406.db2.gz MCHQEVJMCLOQAZ-FPPGBKCQSA-N 0 0 310.522 4.779 1 0 in-vitro DJAFRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1c1nnc(-c2cccs2)o1 ZINC000039175983 183014672 /nfs/dbraw/zinc/01/46/72/183014672.db2.gz OOAJKRNXFWTPLO-OIBJUYFYSA-N 0 0 315.225 4.857 1 0 DJAFRN Clc1ccc(C[C@@H](Cc2ccccc2)n2ccnc2)s1 ZINC000040404043 183062247 /nfs/dbraw/zinc/06/22/47/183062247.db2.gz OZSAQRPUZCLBDH-CQSZACIVSA-N 0 0 302.830 4.625 1 0 DJAFRN C[C@]1(c2ccc(Cl)cc2)ON=C(c2cccc(Cl)c2)O1 ZINC000040423578 183065422 /nfs/dbraw/zinc/06/54/22/183065422.db2.gz ALOAFEXAOKLZDN-OAHLLOKOSA-N 0 0 308.164 4.575 1 0 DJAFRN CC(C)c1cccc(NCc2cncn2Cc2ccccc2)c1 ZINC000040424178 183065460 /nfs/dbraw/zinc/06/54/60/183065460.db2.gz JKFRLPCPCOIRLY-UHFFFAOYSA-N 0 0 305.425 4.667 1 0 DJAFRN Fc1cc(F)cc(Cn2c(=S)[nH]c3ccc(Cl)cc32)c1 ZINC000040834060 183140526 /nfs/dbraw/zinc/14/05/26/183140526.db2.gz KZJKJQLKBFSCNM-UHFFFAOYSA-N 0 0 310.756 4.679 1 0 DJAFRN COc1cccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)c1 ZINC000040897982 183147267 /nfs/dbraw/zinc/14/72/67/183147267.db2.gz RPLYQBNGIVQYAD-ICSRJNTNSA-N 0 0 317.388 4.656 1 0 DJAFRN COc1cc([C@H]2C[C@H]2/C=C\c2ccccc2)cc(OC)c1OC ZINC000040918361 183148950 /nfs/dbraw/zinc/14/89/50/183148950.db2.gz RBAGFNBNYRHTDZ-GUKXCFJFSA-N 0 0 310.393 4.529 1 0 DJAFRN Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)cc2)n1 ZINC000040874542 183145473 /nfs/dbraw/zinc/14/54/73/183145473.db2.gz IVAREHJIGRSXHE-UHFFFAOYSA-N 0 0 322.795 4.963 1 0 DJAFRN Clc1ccc(C2=NCCCN=C2c2ccc(Cl)cc2)cc1 ZINC000042891113 183316786 /nfs/dbraw/zinc/31/67/86/183316786.db2.gz FIFPDTWDPKQVCK-UHFFFAOYSA-N 0 0 317.219 4.676 1 0 DJAFRN O=C(CCC(c1ccccc1)c1ccccc1)Nc1cccnc1 ZINC000043070469 183334545 /nfs/dbraw/zinc/33/45/45/183334545.db2.gz CEQRPUYSSDGEML-UHFFFAOYSA-N 0 0 316.404 4.632 1 0 in-vivo DJAFRN N[C@H](c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(F)c1 ZINC000061902474 184193681 /nfs/dbraw/zinc/19/36/81/184193681.db2.gz NYVRBHSOVNAOKW-HNNXBMFYSA-N 0 0 318.804 4.651 3 0 DJAFRN Cc1cccc(-c2c[nH]c([C@@H](O)c3ccc4ccccc4c3)n2)c1 ZINC000061904567 184194132 /nfs/dbraw/zinc/19/41/32/184194132.db2.gz PKCTYCMEQVOZEN-FQEVSTJZSA-N 0 0 314.388 4.620 3 0 DJAFRN CC(C)c1cccc(-c2csc([C@](C)(O)c3ccncc3)n2)c1 ZINC000061906535 184194263 /nfs/dbraw/zinc/19/42/63/184194263.db2.gz GGUMBQSDPHQAQV-LJQANCHMSA-N 0 0 324.449 4.584 3 0 DJAFRN O[C@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 ZINC000061928337 184196207 /nfs/dbraw/zinc/19/62/07/184196207.db2.gz BGNHYLFRPRRYMJ-HNNXBMFYSA-N 0 0 319.788 4.684 3 0 DJAFRN O=C(C1CCCCC1)N1CC[C@@H]2C[C@H]1c1cc(Cl)ccc12 ZINC000061943026 184197894 /nfs/dbraw/zinc/19/78/94/184197894.db2.gz PSXVCTOKFHOLQN-DYVFJYSZSA-N 0 0 303.833 4.681 1 0 DJAFRN COc1ccc2c(c1)occ(-c1ccc(OCC(C)C)cc1)c2=O ZINC000066260252 184399470 /nfs/dbraw/zinc/39/94/70/184399470.db2.gz KUHOHJBREKQBBJ-UHFFFAOYSA-N 0 0 324.376 4.503 1 0 DJAFRN C[C@@H](c1ccc(C=O)cc1)[C@H]1CC[C@@H](Cc2cccc(O)c2)C1 ZINC000085547973 560072170 /nfs/dbraw/zinc/07/21/70/560072170.db2.gz ZBYDMQGSEAHIOB-QSFXBCCZSA-N 0 0 308.421 4.967 1 0 biogenic,in-vitro DJAFRN COc1oc(CCCCCCCCCC(C)=O)c(C)c(=O)c1C ZINC000014676580 560224130 /nfs/dbraw/zinc/22/41/30/560224130.db2.gz JPKAYTBHECLDKV-UHFFFAOYSA-N 0 0 322.445 4.518 1 0 biogenic,in-vitro DJAFRN Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccccc2)cc1 ZINC000095559259 185380034 /nfs/dbraw/zinc/38/00/34/185380034.db2.gz GLXWHSSCMFPQGL-UHFFFAOYSA-N 0 0 307.418 4.947 1 0 DJAFRN CCCc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1OC ZINC000095564627 185380107 /nfs/dbraw/zinc/38/01/07/185380107.db2.gz YSZRFYNFFKSOBN-UHFFFAOYSA-N 0 0 324.399 4.699 3 0 DJAFRN CCCc1c(-c2ccccc2)ncn1Cc1ccccc1OC ZINC000095564751 185380131 /nfs/dbraw/zinc/38/01/31/185380131.db2.gz OQCQLNGIEDESEO-UHFFFAOYSA-N 0 0 306.409 4.560 3 0 DJAFRN Cn1ccc2c1c1c(cc2-c2cccc(C=O)c2)[C@H]2CC[C@@H]1O2 ZINC000095566292 185380160 /nfs/dbraw/zinc/38/01/60/185380160.db2.gz DYKUHRUAZBUTSP-MSOLQXFVSA-N 0 0 303.361 4.564 1 0 DJAFRN Fc1ccc(C2=NO[C@H]3CCCCC[C@@H]23)cc1C(F)(F)F ZINC000095572591 185380532 /nfs/dbraw/zinc/38/05/32/185380532.db2.gz KEABUZHEZUGZSM-MFKMUULPSA-N 0 0 301.283 4.528 1 0 DJAFRN Fc1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000095579577 185380760 /nfs/dbraw/zinc/38/07/60/185380760.db2.gz QPYQMDMYSOQRFO-YPMHNXCESA-N 0 0 301.283 4.528 1 0 DJAFRN Nc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)ccc1Cl ZINC000095579943 185380889 /nfs/dbraw/zinc/38/08/89/185380889.db2.gz VVLPIOCURATVJJ-UHFFFAOYSA-N 0 0 320.783 4.528 1 0 DJAFRN COc1cc([C@@H]2C[C@@H]2/C=C/c2ccccc2)cc(OC)c1OC ZINC000095583771 185381064 /nfs/dbraw/zinc/38/10/64/185381064.db2.gz RBAGFNBNYRHTDZ-ZMMKQQPBSA-N 0 0 310.393 4.529 1 0 DJAFRN Fc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1 ZINC000095583273 185381296 /nfs/dbraw/zinc/38/12/96/185381296.db2.gz KQILIEQOKXOCSD-UHFFFAOYSA-N 0 0 310.376 4.509 1 0 DJAFRN Oc1ccc(-c2cscc2-c2ccc(O)cc2F)c(F)c1 ZINC000095587219 185381505 /nfs/dbraw/zinc/38/15/05/185381505.db2.gz APIVWORSVXKTBM-UHFFFAOYSA-N 0 0 304.317 4.772 1 0 DJAFRN Oc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1 ZINC000095587727 185381534 /nfs/dbraw/zinc/38/15/34/185381534.db2.gz KKTKAMKVBQSPOV-UHFFFAOYSA-N 0 0 304.317 4.772 1 0 in-vitro DJAFRN COc1cccc(-c2nc(Cl)nc3cc(Cl)ccc32)c1 ZINC000095602387 185382442 /nfs/dbraw/zinc/38/24/42/185382442.db2.gz PXDQEMVDQASOQF-UHFFFAOYSA-N 0 0 305.164 4.612 3 0 DJAFRN Clc1cccc(-c2cnc(Nc3ccc4n[nH]cc4c3)o2)c1 ZINC000096905699 185390697 /nfs/dbraw/zinc/39/06/97/185390697.db2.gz KJKSHWUWRCHTNT-UHFFFAOYSA-N 0 0 310.744 4.615 1 0 DJAFRN Clc1ccccc1-c1cnc(Nc2ccc3n[nH]cc3c2)o1 ZINC000096905698 185390711 /nfs/dbraw/zinc/39/07/11/185390711.db2.gz LFMYWIXERQVMCC-UHFFFAOYSA-N 0 0 310.744 4.615 1 0 DJAFRN C/C1=C/C=C(\C(C)(C)O)[C@@H](O)C/C(C)=C\CC/C(C)=C\CC1 ZINC000169369627 197746458 /nfs/dbraw/zinc/74/64/58/197746458.db2.gz SAZDJCIBQKXMSM-TZJVKCTESA-N 0 0 304.474 4.848 1 0 DJAFRN COC(=O)c1c2cc(Cl)ccc2nc(C)c1-c1ccccc1 ZINC000072108600 191037825 /nfs/dbraw/zinc/03/78/25/191037825.db2.gz AQKWWWQEGJMHRF-UHFFFAOYSA-N 0 0 311.768 4.650 1 0 DJAFRN Cn1ccc2c1c1c(cc2-c2ccc(CO)cc2)[C@H]2CC[C@@H]1C2 ZINC000072134834 191046630 /nfs/dbraw/zinc/04/66/30/191046630.db2.gz QIERDOBOSKGCNP-JKSUJKDBSA-N 0 0 303.405 4.702 1 0 DJAFRN Cc1ccc([C@H]2CC(=O)Nc3ccc4cc(C)ccc4c32)cc1 ZINC000072171948 191069694 /nfs/dbraw/zinc/06/96/94/191069694.db2.gz LWEKMYBEUVCTHN-GOSISDBHSA-N 0 0 301.389 4.931 1 0 DJAFRN COc1cc(=O)oc(-c2cc(C)cc(C)c2-c2ccccc2)c1 ZINC000072178140 191070625 /nfs/dbraw/zinc/07/06/25/191070625.db2.gz PKGPVVFVJPDDHE-UHFFFAOYSA-N 0 0 306.361 4.599 1 0 in-vitro DJAFRN CCCc1cn([C@@H](C)c2ccc3oc4ccccc4c3c2)nn1 ZINC000084758926 192466734 /nfs/dbraw/zinc/46/67/34/192466734.db2.gz QJNYLESYMLTOTL-ZDUSSCGKSA-N 0 0 305.381 4.739 1 0 DJAFRN CSc1cccc(NC(=O)c2cnc3c(C)csc3c2)c1 ZINC000072322942 191121973 /nfs/dbraw/zinc/12/19/73/191121973.db2.gz GNJYSTKUHAIGRT-UHFFFAOYSA-N 0 0 314.435 4.579 2 0 DJAFRN CCCCn1cc(C(=O)Nc2ccc(CC)cc2)c2cccnc21 ZINC000072323471 191122366 /nfs/dbraw/zinc/12/23/66/191122366.db2.gz XXBPFHBYJKHZPK-UHFFFAOYSA-N 0 0 321.424 4.651 2 0 DJAFRN CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@H]3N3CC3)[C@]4(C)[C@@]25CC1 ZINC000085548296 290937125 /nfs/dbraw/zinc/93/71/25/290937125.db2.gz HGVUZSKYHURSNZ-KMNJVMMSSA-N 0 0 309.497 4.944 1 0 biogenic,in-vitro DJAFRN CCC(=O)CCCCCCCCc1oc(OC)c(C)c(=O)c1C ZINC000001545562 290937629 /nfs/dbraw/zinc/93/76/29/290937629.db2.gz VBQVELYGNWXYIV-UHFFFAOYSA-N 0 0 322.445 4.518 1 0 biogenic,in-vitro DJAFRN Clc1ccc(-c2nc3cnccn3c2Nc2ccccc2)cc1 ZINC000003896475 181053692 /nfs/dbraw/zinc/05/36/92/181053692.db2.gz PIUASMQHYZNWOU-UHFFFAOYSA-N 0 0 320.783 4.793 1 0 DJAFRN Cc1cccc2c3c([nH]c21)-c1c(cnn1-c1ccccc1)CCC3 ZINC000073198985 191291999 /nfs/dbraw/zinc/29/19/99/191291999.db2.gz CPDOLWLNEWLORF-UHFFFAOYSA-N 0 0 313.404 4.818 1 0 DJAFRN c1cc(-c2nc3ccccc3c(NCc3ccccc3)n2)co1 ZINC000004265399 181090100 /nfs/dbraw/zinc/09/01/00/181090100.db2.gz SCCBABNBFARERN-UHFFFAOYSA-N 0 0 301.349 4.502 1 0 DJAFRN Cc1cccc(C2(c3cccc(C)c3)OC(=O)c3ccccc32)c1 ZINC000004566477 181125095 /nfs/dbraw/zinc/12/50/95/181125095.db2.gz KROILPPVVWCRKD-UHFFFAOYSA-N 0 0 314.384 4.766 3 0 DJAFRN CC[C@H](C)[C@@H]1COC(c2cccn2Cc2c(C)cc(C)cc2C)=N1 ZINC000004970712 181181655 /nfs/dbraw/zinc/18/16/55/181181655.db2.gz XSVZYACAWZRIKN-KXBFYZLASA-N 0 0 324.468 4.653 1 0 DJAFRN CC(C)c1cc2c(cc1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2 ZINC000005761563 181281604 /nfs/dbraw/zinc/28/16/04/181281604.db2.gz NKGGFTFDYGTUSL-ICSRJNTNSA-N 0 0 302.458 4.518 1 0 biogenic,in-vitro DJAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21 ZINC000005821099 181287204 /nfs/dbraw/zinc/28/72/04/181287204.db2.gz YHIZWEDKQCYPIV-HZPDHXFCSA-N 0 0 316.441 4.749 1 0 DJAFRN CC(C)(C)CN1[C@@H]2CCCC[C@H]2N(CC(C)(C)C)P1(C)=O ZINC000005885309 181292779 /nfs/dbraw/zinc/29/27/79/181292779.db2.gz GZBIJJQBRYAUSP-HUUCEWRRSA-N 0 0 314.454 4.830 1 0 DJAFRN C/C1=C\CC[C@@](C)(O)/C=C\[C@H](C(C)C)C/C=C(/C)CC(=O)C1 ZINC000195142689 201345743 /nfs/dbraw/zinc/34/57/43/201345743.db2.gz QZVGSTYTRPBOKT-VDXNLYCZSA-N 0 0 304.474 4.992 1 0 DJAFRN Cc1c2c(c(C)c(N)c1C)C[C@](C)(CSc1ccccc1)O2 ZINC000013652076 181874523 /nfs/dbraw/zinc/87/45/23/181874523.db2.gz JIVJQOIRHLYLOY-LJQANCHMSA-N 0 0 313.466 4.680 1 0 DJAFRN Fc1ccc([C@H]2N[C@H](c3ccc(F)cc3)c3ccccc32)cc1 ZINC000013835362 181905213 /nfs/dbraw/zinc/90/52/13/181905213.db2.gz ZUHCFEVGJOWEPN-WOJBJXKFSA-N 0 0 307.343 4.747 1 0 DJAFRN CCc1cc(=O)oc2ccc(Oc3ccc(Cl)cc3O)cc12 ZINC000021263123 182270482 /nfs/dbraw/zinc/27/04/82/182270482.db2.gz MJUVRDAMKFDZHT-UHFFFAOYSA-N 0 0 316.740 4.507 1 0 DJAFRN CC1=CC(C)(C)Nc2cc3c(cc21)-c1cc(F)cc(F)c1[C@@H]3O ZINC000026657242 182449030 /nfs/dbraw/zinc/44/90/30/182449030.db2.gz FHKNTLPINYLAFY-GOSISDBHSA-N 0 0 313.347 4.634 1 0 DJAFRN CCCCCCNC(=O)c1cc2c(cn1)sc1ccccc12 ZINC000026842040 182454999 /nfs/dbraw/zinc/45/49/99/182454999.db2.gz MHSYWXDPOIMSBT-UHFFFAOYSA-N 0 0 312.438 4.760 1 0 DJAFRN CCOC(=O)c1oc2cc(-c3ccccc3)cc(OC)c2c1C ZINC000027090078 182462140 /nfs/dbraw/zinc/46/21/40/182462140.db2.gz SIOHFESGTFNBCH-UHFFFAOYSA-N 0 0 310.349 4.594 1 0 DJAFRN CCCN(CCC)c1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000027188983 182464245 /nfs/dbraw/zinc/46/42/45/182464245.db2.gz NBWJVGCPMCIGMO-UHFFFAOYSA-N 0 0 322.456 4.640 1 0 DJAFRN CC(C)(C)O[C@H]1CC[C@@H]2[C@H]3CC[C@H](CCO)C[C@@H]3CC[C@@]21C ZINC000027519969 182474076 /nfs/dbraw/zinc/47/40/76/182474076.db2.gz FCJFBYQAMNQGPO-PHEZNFQVSA-N 0 0 308.506 4.795 1 0 DJAFRN CCc1ccc2c(ccc3c2[C@H](c2ccccc2)CC(=O)O3)c1 ZINC000029151309 182554178 /nfs/dbraw/zinc/55/41/78/182554178.db2.gz HVDKRRUAHWTDDN-SFHVURJKSA-N 0 0 302.373 4.843 1 0 DJAFRN COC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)NC(C)C ZINC000029309015 182559365 /nfs/dbraw/zinc/55/93/65/182559365.db2.gz ISZVVEHLLQTZBZ-UQHDCKCOSA-N 0 0 309.494 4.635 1 0 DJAFRN CCCc1cc2c(cc1O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000035823988 182789017 /nfs/dbraw/zinc/78/90/17/182789017.db2.gz GKLBBZSFNQVMEN-HPNQWNLUSA-N 0 0 312.453 4.770 1 0 DJAFRN Cc1cccc(CN2Cc3cccc4c3[C@H](C=CC4)CC2=S)c1 ZINC000036383135 182821420 /nfs/dbraw/zinc/82/14/20/182821420.db2.gz GCEQTCHAKJFIHA-GOSISDBHSA-N 0 0 319.473 4.924 1 0 DJAFRN COc1ccc([C@@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000038538131 183001462 /nfs/dbraw/zinc/00/14/62/183001462.db2.gz CLWPGAGULOCRHB-PKHIPVCBSA-N 0 0 300.442 4.986 1 0 DJAFRN COc1ccccc1[C@@](C)(O)/C=C/C1=C(C)CCCC1(C)C ZINC000038926744 183012989 /nfs/dbraw/zinc/01/29/89/183012989.db2.gz XEDFAKIVTPUUOS-PKHIPVCBSA-N 0 0 300.442 4.986 1 0 DJAFRN COc1ccc(C2=Nc3cc(C(F)(F)F)ccc3SC2)cc1 ZINC000040847971 183141350 /nfs/dbraw/zinc/14/13/50/183141350.db2.gz ULEBCRGEKVRIAM-UHFFFAOYSA-N 0 0 323.339 4.941 1 0 DJAFRN C[C@@](O)(CSc1ccc(Cl)cc1)c1cc2ccccc2[nH]1 ZINC000040753163 183128976 /nfs/dbraw/zinc/12/89/76/183128976.db2.gz AJYMFDVFQOFUMO-QGZVFWFLSA-N 0 0 317.841 4.821 1 0 DJAFRN C[C@]1(c2ccc(Cl)cc2)ON=C(c2ccc(Cl)cc2)O1 ZINC000040933295 183149002 /nfs/dbraw/zinc/14/90/02/183149002.db2.gz YMGIYMMZVYSABB-OAHLLOKOSA-N 0 0 308.164 4.575 1 0 DJAFRN O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2cccc(Cl)c2)C1 ZINC000040937039 183149411 /nfs/dbraw/zinc/14/94/11/183149411.db2.gz GQWYJHPHWZDDKA-MJGOQNOKSA-N 0 0 323.823 4.954 1 0 DJAFRN c1ccc(-c2cc3ccncc3cc2OCc2cccnc2)cc1 ZINC000040938911 183149666 /nfs/dbraw/zinc/14/96/66/183149666.db2.gz GICYSARMNVCHON-UHFFFAOYSA-N 0 0 312.372 4.876 1 0 DJAFRN COc1ccc([C@@H](OC)c2ccc(N(C)C)c3ccccc32)cc1 ZINC000040954293 183150547 /nfs/dbraw/zinc/15/05/47/183150547.db2.gz MKZJAGRWJLISRA-OAQYLSRUSA-N 0 0 321.420 4.650 1 0 DJAFRN Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F ZINC000040972444 183153745 /nfs/dbraw/zinc/15/37/45/183153745.db2.gz DZEUSCNAQKYWAB-UHFFFAOYSA-N 0 0 317.363 4.971 1 0 DJAFRN CC(=O)c1ccc(Nc2ccnc3ccc4[nH]ccc4c32)cc1 ZINC000040872555 183145424 /nfs/dbraw/zinc/14/54/24/183145424.db2.gz STPIPGQNQOEASR-UHFFFAOYSA-N 0 0 301.349 4.662 1 0 DJAFRN CC[C@@]12CC[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000040874356 183145497 /nfs/dbraw/zinc/14/54/97/183145497.db2.gz QTOLHRDDANXQPI-STZQEDGTSA-N 0 0 322.448 4.674 1 0 DJAFRN CC[C@@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1ccnc1 ZINC000042989302 183326102 /nfs/dbraw/zinc/32/61/02/183326102.db2.gz IZQNXPIWJTTZEN-KRWDZBQOSA-N 0 0 312.800 4.909 1 0 DJAFRN Cc1ccc2c(c1)CN(CCCCc1ccccc1)C(=S)N2 ZINC000045370177 183502060 /nfs/dbraw/zinc/50/20/60/183502060.db2.gz NMQISGMVIJCFNR-UHFFFAOYSA-N 0 0 310.466 4.530 1 0 DJAFRN COc1cccc([C@](C)(O)/C=C/C2=C(C)CCCC2(C)C)c1 ZINC000049054567 183707731 /nfs/dbraw/zinc/70/77/31/183707731.db2.gz KIQHDLSEPZJDDQ-VSFZPWCASA-N 0 0 300.442 4.986 1 0 DJAFRN COCCn1c(-c2ccc(C(C)C)cc2)nc2cccc(C)c21 ZINC000058576080 184122553 /nfs/dbraw/zinc/12/25/53/184122553.db2.gz YJNOCIALSZQSDZ-UHFFFAOYSA-N 0 0 308.425 4.782 1 0 DJAFRN Cc1cccc(-c2c[nH]c([C@H](O)c3ccc4ccccc4c3)n2)c1 ZINC000061904566 184194077 /nfs/dbraw/zinc/19/40/77/184194077.db2.gz PKCTYCMEQVOZEN-HXUWFJFHSA-N 0 0 314.388 4.620 3 0 DJAFRN O[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 ZINC000061928335 184196159 /nfs/dbraw/zinc/19/61/59/184196159.db2.gz BGNHYLFRPRRYMJ-OAHLLOKOSA-N 0 0 319.788 4.684 3 0 DJAFRN CC1=N[C@H](C)Cc2c(-c3ccc(C(F)(F)F)cc3)ccc(O)c21 ZINC000064454454 184297664 /nfs/dbraw/zinc/29/76/64/184297664.db2.gz ALHOBEXVYHMRCJ-SNVBAGLBSA-N 0 0 319.326 4.832 1 0 DJAFRN O[C@@]1(C(F)(F)F)CCCc2c3c(ccc(Cl)c3Cl)[nH]c21 ZINC000064550000 184299506 /nfs/dbraw/zinc/29/95/06/184299506.db2.gz BFVQEOVSAUKIEG-LBPRGKRZSA-N 0 0 324.129 4.561 1 0 DJAFRN O[C@@]1(C(F)(F)F)CCCc2c3cc(Cl)cc(Cl)c3[nH]c21 ZINC000064573263 184300370 /nfs/dbraw/zinc/30/03/70/184300370.db2.gz GLOACQUUNCBWQT-LBPRGKRZSA-N 0 0 324.129 4.561 1 0 DJAFRN COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1 ZINC000071331336 518137395 /nfs/dbraw/zinc/13/73/95/518137395.db2.gz SRJASQFQGYABJR-UHFFFAOYSA-N 0 0 308.356 4.508 1 0 DJAFRN COc1cc2cc3c4cc(ccc4oc31)CC[C@@H](O)CCCC2 ZINC000070455431 560047255 /nfs/dbraw/zinc/04/72/55/560047255.db2.gz XUJZVQWJIFWHHY-HNNXBMFYSA-N 0 0 310.393 4.615 1 0 biogenic,in-vitro DJAFRN CC(C)CCCCCCCCOC(=O)c1cc(O)ccc1N ZINC000001535639 560181902 /nfs/dbraw/zinc/18/19/02/560181902.db2.gz NGQKBZVVKVAIIG-UHFFFAOYSA-N 0 0 307.434 4.518 1 0 in-vitro DJAFRN C/C1=C\CC/C(C)=C/[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000004642941 560198812 /nfs/dbraw/zinc/19/88/12/560198812.db2.gz RIVKDDXPCFBMOV-PTDQARIVSA-N 0 0 306.490 4.783 1 0 in-vitro DJAFRN CC(C)c1cc2c(cc1O)C[C@@]1(O)CCCC(C)(C)[C@H]1CC2 ZINC000005733699 560202735 /nfs/dbraw/zinc/20/27/35/560202735.db2.gz UZNOTFOFROXACM-QUCCMNQESA-N 0 0 302.458 4.562 1 0 biogenic,in-vitro DJAFRN CC(C)=CCc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1 ZINC000014610049 560222895 /nfs/dbraw/zinc/22/28/95/560222895.db2.gz KDDIWXQFRQYXCG-UHFFFAOYSA-N 0 0 310.349 4.725 1 0 biogenic,in-vitro DJAFRN CC(C)=CCOc1ccc(-c2cnc(-c3cccnc3)o2)cc1 ZINC000015266387 571738614 /nfs/dbraw/zinc/73/86/14/571738614.db2.gz CPMFTHYYYPZYOB-UHFFFAOYSA-N 0 0 306.365 4.749 1 0 endogenous,in-man DJAFRN CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)(O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012496221 571695419 /nfs/dbraw/zinc/69/54/19/571695419.db2.gz JBSVQUOGNMYMSF-HAXSJCRZSA-N 0 0 320.517 4.736 1 0 endogenous,in-man DJAFRN C[C@]12CC[C@@H]3c4cc(Cl)c(O)cc4CC[C@H]3[C@@H]1CCCC2=O ZINC000035875795 581092621 /nfs/dbraw/zinc/09/26/21/581092621.db2.gz JPMPZOSFYWJSOX-QPWUGHHJSA-N 0 0 318.844 4.861 1 0 DJAFRN CC[C@H](C(=O)Nc1ccccc1-n1cccc1)c1ccccc1 ZINC000095552556 185379490 /nfs/dbraw/zinc/37/94/90/185379490.db2.gz YMKSNPNHFDHINA-KRWDZBQOSA-N 0 0 304.393 4.610 1 0 DJAFRN CC(C)(C)Nc1c(-c2cccc3ccccc32)nc2cnccn21 ZINC000095563539 185379915 /nfs/dbraw/zinc/37/99/15/185379915.db2.gz CYWMCMMWHPSXGO-UHFFFAOYSA-N 0 0 316.408 4.760 1 0 DJAFRN COc1ccc(Nc2ncnc3c4ccccc4sc32)cc1 ZINC000095572399 185380518 /nfs/dbraw/zinc/38/05/18/185380518.db2.gz FNRORYQZFTWMPM-UHFFFAOYSA-N 0 0 307.378 4.597 1 0 DJAFRN O=C(Cc1ccccc1)N1c2ccccc2Oc2ccccc21 ZINC000095577936 185380678 /nfs/dbraw/zinc/38/06/78/185380678.db2.gz YPGJNIKJFWZBTG-UHFFFAOYSA-N 0 0 301.345 4.700 1 0 DJAFRN Fc1ccc(C2=NO[C@H]3CCCCCC[C@H]23)cc1C(F)(F)F ZINC000095578414 185380816 /nfs/dbraw/zinc/38/08/16/185380816.db2.gz PTCNDYVSDJGJEI-FZMZJTMJSA-N 0 0 315.310 4.918 1 0 DJAFRN CCCCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CC1)N2 ZINC000095589204 185381962 /nfs/dbraw/zinc/38/19/62/185381962.db2.gz GBQVMEOAUDISBW-IPELMVKDSA-N 0 0 301.430 4.537 1 0 DJAFRN Oc1ccc(-c2csc(-c3ccc(O)cc3F)c2)c(F)c1 ZINC000095588940 185382193 /nfs/dbraw/zinc/38/21/93/185382193.db2.gz CFMSGFDIIDYVAI-UHFFFAOYSA-N 0 0 304.317 4.772 1 0 DJAFRN COc1ccc2c(c1)sc1c2ncnc1Nc1ccccc1 ZINC000095597239 185382328 /nfs/dbraw/zinc/38/23/28/185382328.db2.gz VYEWQLWEFDCUQK-UHFFFAOYSA-N 0 0 307.378 4.597 1 0 DJAFRN C/C1=C\CC/C(C)=C/[C@H](O)C[C@](C)(O)/C=C\[C@@H](C(C)C)CC1 ZINC000096888408 185390253 /nfs/dbraw/zinc/39/02/53/185390253.db2.gz RIVKDDXPCFBMOV-RDRDHYJASA-N 0 0 306.490 4.783 1 0 DJAFRN Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1 ZINC000096911330 185390910 /nfs/dbraw/zinc/39/09/10/185390910.db2.gz WWHKQEBVMYLQSW-UHFFFAOYSA-N 0 0 313.788 4.534 1 0 DJAFRN Clc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1 ZINC000096911331 185390959 /nfs/dbraw/zinc/39/09/59/185390959.db2.gz VMGMBMKDGCPCOA-UHFFFAOYSA-N 0 0 313.788 4.534 1 0 DJAFRN Cc1cc(C)n(-c2c3cc(F)ccc3[nH]c2-c2ccccc2)n1 ZINC000096910149 185391077 /nfs/dbraw/zinc/39/10/77/185391077.db2.gz HFVTYDPLMBTIEJ-UHFFFAOYSA-N 0 0 305.356 4.777 1 0 DJAFRN Cc1onc(-c2ccc(Br)o2)c1-c1ccccc1 ZINC000096909041 185391080 /nfs/dbraw/zinc/39/10/80/185391080.db2.gz JHMGVWICIJTVHP-UHFFFAOYSA-N 0 0 304.143 4.673 1 0 DJAFRN FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1CC1CC1 ZINC000082154731 192362153 /nfs/dbraw/zinc/36/21/53/192362153.db2.gz FRROFRFAQMVYRA-UHFFFAOYSA-N 0 0 309.118 4.772 1 0 DJAFRN C/C1=C/CC/C(C)=C\C[C@@H](C2=CC[C@H](C(C)(C)O)OC2)CC1 ZINC000169356945 197746066 /nfs/dbraw/zinc/74/60/66/197746066.db2.gz QYYYSRKHZDULBG-HFXNYKNVSA-N 0 0 304.474 4.946 1 0 DJAFRN CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1O[C@@H](C)c1ccccc1 ZINC000103282135 185443824 /nfs/dbraw/zinc/44/38/24/185443824.db2.gz VIAZJBCWJLJWGB-NAHVHIFSSA-N 0 0 324.420 4.582 1 0 DJAFRN Cc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1Cl ZINC000072115010 191037881 /nfs/dbraw/zinc/03/78/81/191037881.db2.gz MJVSJULHQKELSA-CQSZACIVSA-N 0 0 316.832 4.791 1 0 DJAFRN CCS[C@H](CC(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000072115057 191038239 /nfs/dbraw/zinc/03/82/39/191038239.db2.gz XXDCATIIZPFAFR-GOSISDBHSA-N 0 0 300.423 4.762 1 0 DJAFRN COc1ccccc1Cc1c(C(C)(C)C)nc2ccc(C)cn21 ZINC000072137910 191048627 /nfs/dbraw/zinc/04/86/27/191048627.db2.gz YIHMOTALUHRXJT-UHFFFAOYSA-N 0 0 308.425 4.540 3 0 DJAFRN COc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1C ZINC000072179177 191070932 /nfs/dbraw/zinc/07/09/32/191070932.db2.gz GORRUIALEVAHBX-UHFFFAOYSA-N 0 0 320.388 4.908 1 0 in-vitro DJAFRN COc1cc(/C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1 ZINC000072179260 191071397 /nfs/dbraw/zinc/07/13/97/191071397.db2.gz NLLRTVRDMOKHDF-RMMMMZSOSA-N 0 0 308.377 4.711 1 0 in-vitro DJAFRN Cc1cc(C)cc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)c1 ZINC000072323191 191121970 /nfs/dbraw/zinc/12/19/70/191121970.db2.gz ITNFIZPKEUWFKS-UHFFFAOYSA-N 0 0 321.424 4.660 2 0 DJAFRN O=C(c1ccc(-c2ccc(O)cc2Cl)cc1)c1cccc(O)c1 ZINC000073198998 191291028 /nfs/dbraw/zinc/29/10/28/191291028.db2.gz WOSDRBVPQTZWNZ-UHFFFAOYSA-N 0 0 324.763 4.649 1 0 DJAFRN Oc1ccccc1-c1nc2sccn2c1Nc1ccccc1 ZINC000003909988 181057552 /nfs/dbraw/zinc/05/75/52/181057552.db2.gz ZBASTSYSXXTTLP-UHFFFAOYSA-N 0 0 307.378 4.512 1 0 DJAFRN c1csc(CNc2nc(-c3ccoc3)nc3ccccc32)c1 ZINC000004266174 181089896 /nfs/dbraw/zinc/08/98/96/181089896.db2.gz HJYIIOLLFVDUBA-UHFFFAOYSA-N 0 0 307.378 4.563 1 0 aggregator DJAFRN Fc1ccc(Nc2ncnc3ccc(-c4ccoc4)cc32)cc1 ZINC000004266430 181090035 /nfs/dbraw/zinc/09/00/35/181090035.db2.gz HCVDOQOETCJCDC-UHFFFAOYSA-N 0 0 305.312 4.773 1 0 DJAFRN Brc1ccc2c3[nH]c(C4CCCC4)nc3cnc2c1 ZINC000073391235 191311139 /nfs/dbraw/zinc/31/11/39/191311139.db2.gz FLSILZPRASICNB-UHFFFAOYSA-N 0 0 316.202 4.531 1 0 DJAFRN Cc1ccc2c(Cl)c(Cc3ccccc3)c(=S)[nH]c2n1 ZINC000005602452 181262435 /nfs/dbraw/zinc/26/24/35/181262435.db2.gz KRGULNTWJREXFU-UHFFFAOYSA-N 0 0 300.814 4.845 3 0 DJAFRN COC1=CC(=O)O[C@H](/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C1 ZINC000005757426 181280915 /nfs/dbraw/zinc/28/09/15/181280915.db2.gz KWMXSAMVKSULMY-CQXRVQDGSA-N 0 0 316.441 4.861 1 0 DJAFRN COC1=CC(=O)O[C@@H](/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C1 ZINC000005812809 181285542 /nfs/dbraw/zinc/28/55/42/181285542.db2.gz KWMXSAMVKSULMY-RMBCIFKASA-N 0 0 316.441 4.861 1 0 DJAFRN Cc1ccc2c(=O)cc(-c3ccc(-c4ccccc4)s3)nc-2[nH]1 ZINC000006522906 181348990 /nfs/dbraw/zinc/34/89/90/181348990.db2.gz VLBKMOGBALWCFG-UHFFFAOYSA-N 0 0 318.401 4.627 1 0 DJAFRN CN1c2ccccc2C(C)(C)/C1=C/C(=S)Nc1ccccc1 ZINC000012511981 181768926 /nfs/dbraw/zinc/76/89/26/181768926.db2.gz PPYWMUJUBCIVKS-LGMDPLHJSA-N 0 0 308.450 4.737 3 0 DJAFRN O=c1cc(-c2ccccc2)c(-c2ccccc2)nn1C1CCCC1 ZINC000013470387 181853454 /nfs/dbraw/zinc/85/34/54/181853454.db2.gz VARIPBRBEAUYRV-UHFFFAOYSA-N 0 0 316.404 4.692 1 0 DJAFRN FC(F)(F)c1ccc(-c2noc(-c3occc3Cl)n2)cc1 ZINC000013671440 181876078 /nfs/dbraw/zinc/87/60/78/181876078.db2.gz DESITDPOPSFMMW-UHFFFAOYSA-N 0 0 314.650 4.669 1 0 DJAFRN O=C(NCC1(c2ccccc2)CCCCC1)Nc1ccccc1 ZINC000013833471 181904965 /nfs/dbraw/zinc/90/49/65/181904965.db2.gz MUOLSUHKNWPWAP-UHFFFAOYSA-N 0 0 308.425 4.710 1 0 DJAFRN CN(c1ccccc1)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000016951374 182065726 /nfs/dbraw/zinc/06/57/26/182065726.db2.gz LYCDYVURSXYADR-RTWAWAEBSA-N 0 0 303.405 4.598 1 0 DJAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5occc5C[C@]34C)[C@@H]1CC[C@@H]2O ZINC000027424280 182472238 /nfs/dbraw/zinc/47/22/38/182472238.db2.gz UUIOUWUAYNUKCZ-MXRBDKCISA-N 0 0 314.469 4.598 1 0 DJAFRN O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2ccncc21 ZINC000028455256 182524197 /nfs/dbraw/zinc/52/41/97/182524197.db2.gz MEWQZVRRNOXYMJ-UHFFFAOYSA-N 0 0 324.409 4.603 1 0 DJAFRN CC1(C)C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H](O)C1 ZINC000029483027 182567698 /nfs/dbraw/zinc/56/76/98/182567698.db2.gz FSEVJOAEQZAUQH-UNJWAJPSSA-N 0 0 314.469 4.635 1 0 DJAFRN CCCn1c(C)c(C)c2ccnc(OCc3ccc(F)cc3)c21 ZINC000035941411 182790944 /nfs/dbraw/zinc/79/09/44/182790944.db2.gz VTCTWQBTLXLKIP-UHFFFAOYSA-N 0 0 312.388 4.781 1 0 DJAFRN C[C@@H]1CC2=C(C(=O)O1)[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000101556026 193820468 /nfs/dbraw/zinc/82/04/68/193820468.db2.gz BKAXXJUAKNRSHW-XIKOKIGWSA-N 0 0 306.365 4.504 1 0 DJAFRN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)O[C@H](C)C3)cc1 ZINC000101709450 193837218 /nfs/dbraw/zinc/83/72/18/193837218.db2.gz KZXGPNGPOAPKEG-YJYMSZOUSA-N 0 0 320.392 4.813 1 0 DJAFRN C[C@@]1(c2ccc(Cl)cc2)ON=C(c2ccccc2Cl)O1 ZINC000040379406 183057942 /nfs/dbraw/zinc/05/79/42/183057942.db2.gz JKVCATMTDJYIAG-HNNXBMFYSA-N 0 0 308.164 4.575 1 0 DJAFRN O=C(Nc1cc(NC2CCCC2)nc2ccccc21)C1CCCC1 ZINC000040392878 183060610 /nfs/dbraw/zinc/06/06/10/183060610.db2.gz UBGJTKNQGYXSEH-UHFFFAOYSA-N 0 0 323.440 4.718 1 0 DJAFRN Cc1oc2ccc3c(C)cc(=O)n(Cc4ccccc4)c3c2c1C ZINC000040423957 183065427 /nfs/dbraw/zinc/06/54/27/183065427.db2.gz MILRBNGKFKCGQG-UHFFFAOYSA-N 0 0 317.388 4.721 1 0 DJAFRN Cc1cc2c(s1)CN(C)C[C@@H]2c1c(Cl)cccc1Cl ZINC000040466968 183072768 /nfs/dbraw/zinc/07/27/68/183072768.db2.gz YVHAJKZTWQGJIP-NSHDSACASA-N 0 0 312.265 4.941 1 0 DJAFRN Cc1c2cc(Cl)ccc2nc2c1C(=O)C[C@H](C(F)(F)F)C2 ZINC000040834389 183140167 /nfs/dbraw/zinc/14/01/67/183140167.db2.gz DLXOXRQUGXEDEN-MRVPVSSYSA-N 0 0 313.706 4.504 1 0 DJAFRN C[C@](O)(CSc1ccc(Cl)cc1)c1cc2ccccc2[nH]1 ZINC000040753165 183128941 /nfs/dbraw/zinc/12/89/41/183128941.db2.gz AJYMFDVFQOFUMO-KRWDZBQOSA-N 0 0 317.841 4.821 1 0 DJAFRN Clc1ccc(C2=NCCCN=C2c2ccccc2Cl)cc1 ZINC000040976077 183153655 /nfs/dbraw/zinc/15/36/55/183153655.db2.gz DDXOEFCWUNIMJN-UHFFFAOYSA-N 0 0 317.219 4.676 1 0 DJAFRN Cc1ccc(O[C@@H](CCn2ccnc2)c2ccc(F)cc2)cc1 ZINC000040863068 183144627 /nfs/dbraw/zinc/14/46/27/183144627.db2.gz JWSSNEAKZRPZFZ-IBGZPJMESA-N 0 0 310.372 4.541 1 0 DJAFRN CCOc1c(O)c(-c2ccccc2)c(O)cc1-c1ccccc1 ZINC000040875919 183145225 /nfs/dbraw/zinc/14/52/25/183145225.db2.gz FSSZLEJYIINGNP-UHFFFAOYSA-N 0 0 306.361 4.831 1 0 DJAFRN CC[C@@]12C[C@H](O)[C@H](c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000040892264 183146001 /nfs/dbraw/zinc/14/60/01/183146001.db2.gz GCOOQJNTLZWDDG-QTPAZIJBSA-N 0 0 322.448 4.541 1 0 DJAFRN Cc1nc2ccccc2c(Nc2ccc(Cl)cc2Cl)n1 ZINC000043020324 183328628 /nfs/dbraw/zinc/32/86/28/183328628.db2.gz ZVRMPOBJBLIABD-UHFFFAOYSA-N 0 0 304.180 4.989 1 0 DJAFRN CC[C@@H](c1ccc(-c2cc(C)c(O)c(C)c2)cc1)n1ccnc1 ZINC000043022649 183330286 /nfs/dbraw/zinc/33/02/86/183330286.db2.gz DBNZDJDCWSGGOH-IBGZPJMESA-N 0 0 306.409 4.872 1 0 DJAFRN C[C@H](Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000043023428 183330507 /nfs/dbraw/zinc/33/05/07/183330507.db2.gz SSNXHVVYEQKECS-LLVKDONJSA-N 0 0 302.830 4.993 1 0 DJAFRN CC(C)CCOc1c2ccccc2[nH]c(=O)c1CCC(C)C ZINC000049070235 183710097 /nfs/dbraw/zinc/71/00/97/183710097.db2.gz NLTSIROGGMLXHG-UHFFFAOYSA-N 0 0 301.430 4.542 1 0 DJAFRN CCCCC[NH2+]CC[C@@H]1CCC[C@@H]1CCCCCCC(=O)[O-] ZINC000059782202 184140948 /nfs/dbraw/zinc/14/09/48/184140948.db2.gz GVQZPPYXSNWJHN-ROUUACIJSA-N 0 0 311.510 4.998 1 0 DJAFRN N[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(F)c1 ZINC000061902475 184193536 /nfs/dbraw/zinc/19/35/36/184193536.db2.gz NYVRBHSOVNAOKW-OAHLLOKOSA-N 0 0 318.804 4.651 3 0 DJAFRN CC(C)NC(=O)c1cccc2c(-c3ccc(F)c(F)c3)coc21 ZINC000061905907 184194353 /nfs/dbraw/zinc/19/43/53/184194353.db2.gz ATNFWBYCRXYGQH-UHFFFAOYSA-N 0 0 315.319 4.516 3 0 DJAFRN O[C@H](c1nc(-c2ccccc2)cs1)c1cccc(Cl)c1 ZINC000061908778 184194681 /nfs/dbraw/zinc/19/46/81/184194681.db2.gz UECUOCCVFWYPMH-HNNXBMFYSA-N 0 0 301.798 4.545 3 0 DJAFRN Cc1ccccc1C(=O)N1CC[C@@H]2C[C@H]1c1cc(Cl)ccc12 ZINC000061942405 184197190 /nfs/dbraw/zinc/19/71/90/184197190.db2.gz GPVCYOUXOPGQIY-ACJLOTCBSA-N 0 0 311.812 4.723 1 0 DJAFRN Cc1ccc2c(c1)oc(=O)n(-c1ccc(C(C)C)cc1)c2=S ZINC000064559011 184299465 /nfs/dbraw/zinc/29/94/65/184299465.db2.gz CGZQZZHLNPTLQQ-UHFFFAOYSA-N 0 0 311.406 4.745 1 0 DJAFRN CN(C)c1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1 ZINC000064586025 184301193 /nfs/dbraw/zinc/30/11/93/184301193.db2.gz GSKRIWINHRKBII-UHFFFAOYSA-N 0 0 314.388 4.549 1 0 DJAFRN CCCOc1cc(O)c2c(c1)CCCCCCC[C@@H](C)OC2=O ZINC000066074329 184386790 /nfs/dbraw/zinc/38/67/90/184386790.db2.gz ULILGPWLHXZNKM-CQSZACIVSA-N 0 0 320.429 4.623 1 0 DJAFRN CCCCC/C=C/c1c(O)cc(CC=C(C)C)c(O)c1CO ZINC000072110339 184930719 /nfs/dbraw/zinc/93/07/19/184930719.db2.gz DLFLMSMGNSXYFJ-CMDGGOBGSA-N 0 0 304.430 4.692 1 0 DJAFRN FC(F)(F)[C@]1(c2ccccc2)SCc2nc3ccccc3n21 ZINC000012939903 518195885 /nfs/dbraw/zinc/19/58/85/518195885.db2.gz AEDWGXDMNJOYFH-HNNXBMFYSA-N 0 0 320.339 4.547 1 0 DJAFRN c1ccc(C2(c3nnc4n3CCCCCC4)CCCCC2)cc1 ZINC000029045258 581091316 /nfs/dbraw/zinc/09/13/16/581091316.db2.gz DFFWGGJNBZJCEH-UHFFFAOYSA-N 0 0 309.457 4.645 1 0 DJAFRN CC(C)[C@@H]1SC(Nc2ccc(C3CCCCC3)cc2)=NC1=O ZINC000028826736 581092788 /nfs/dbraw/zinc/09/27/88/581092788.db2.gz KCPXXPAUXJLANH-INIZCTEOSA-N 0 0 316.470 4.800 1 0 DJAFRN Oc1ccc(-c2c3ccccc3oc2-c2cc(O)cc(O)c2)cc1 ZINC000095557088 185379831 /nfs/dbraw/zinc/37/98/31/185379831.db2.gz YPOKRWTXDPUPLG-UHFFFAOYSA-N 0 0 318.328 4.884 1 0 DJAFRN Cc1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1 ZINC000095566606 185380245 /nfs/dbraw/zinc/38/02/45/185380245.db2.gz ILFGTCBUOPNNCQ-UHFFFAOYSA-N 0 0 304.418 4.962 3 0 DJAFRN COc1cc([C@H]2C[C@@H]2/C=C/c2ccccc2)cc(OC)c1OC ZINC000095585666 185381604 /nfs/dbraw/zinc/38/16/04/185381604.db2.gz RBAGFNBNYRHTDZ-PRHORXKJSA-N 0 0 310.393 4.529 1 0 DJAFRN O=c1cccc2oc(-c3ccc(-c4ccccc4)cc3)cc(O)c1-2 ZINC000096922783 185391799 /nfs/dbraw/zinc/39/17/99/185391799.db2.gz BBQATSUGRGRBBM-UHFFFAOYSA-N 0 0 314.340 4.833 1 0 DJAFRN O=c1c(-c2ccccc2)c[nH]cc1-c1cccc(C(F)(F)F)c1 ZINC000103195441 185437929 /nfs/dbraw/zinc/43/79/29/185437929.db2.gz IBMFYIVDYOTODR-UHFFFAOYSA-N 0 0 315.294 4.728 1 0 DJAFRN C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)c1ccccc1 ZINC000064526640 190702851 /nfs/dbraw/zinc/70/28/51/190702851.db2.gz FKRRGAJQEMJONC-ZDUSSCGKSA-N 0 0 316.360 4.634 1 0 DJAFRN O=C1c2ccccc2OC[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000084605028 192445627 /nfs/dbraw/zinc/44/56/27/192445627.db2.gz SNRPVCFQOBNKRY-IBGZPJMESA-N 0 0 300.357 4.713 1 0 DJAFRN CCCCn1cc(C(=O)Nc2ccc(C)c(C)c2)c2cccnc21 ZINC000072323485 191121994 /nfs/dbraw/zinc/12/19/94/191121994.db2.gz AVAKKDGEJQDXMW-UHFFFAOYSA-N 0 0 321.424 4.706 2 0 DJAFRN CC[C@H]1CCCCN1C(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000000428979 180787870 /nfs/dbraw/zinc/78/78/70/180787870.db2.gz UBNGXMQPGLCIKQ-INIZCTEOSA-N 0 0 322.408 4.694 1 0 DJAFRN O=C1c2ccccc2-c2cc(Br)cc3cccc1c32 ZINC000003894593 181053826 /nfs/dbraw/zinc/05/38/26/181053826.db2.gz JLPIRWUZYOQKQZ-UHFFFAOYSA-N 0 0 309.162 4.814 1 0 DJAFRN Clc1cnc2nc1Nc1cccc(c1)CCc1cccc(c1)N2 ZINC000073198260 191291256 /nfs/dbraw/zinc/29/12/56/191291256.db2.gz CKFWQMKTWDFRPE-UHFFFAOYSA-N 0 0 322.799 4.716 1 0 DJAFRN CC(=O)C[C@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000004031232 181064901 /nfs/dbraw/zinc/06/49/01/181064901.db2.gz XHETYBHZFONUCC-OGWHTMIXSA-N 0 0 308.462 4.530 1 0 DJAFRN CC(C)(C)c1ncccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004409925 181107629 /nfs/dbraw/zinc/10/76/29/181107629.db2.gz MMLLOUYPTFKQQM-UHFFFAOYSA-N 0 0 313.441 4.501 1 0 DJAFRN Cc1nc2ccccc2c2oc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc21 ZINC000004902697 181170915 /nfs/dbraw/zinc/17/09/15/181170915.db2.gz DPTGIFFEZWRUOM-BLLLJJGKSA-N 0 0 322.408 4.598 1 0 DJAFRN CCCCc1cc(OC)c2c(C)ccc(C)c2c1OC(C)=O ZINC000005831932 181287520 /nfs/dbraw/zinc/28/75/20/181287520.db2.gz SXSFNBJBVSRXOE-UHFFFAOYSA-N 0 0 300.398 4.733 1 0 DJAFRN Clc1ccc([C@H]2c3ccc(Cl)cc3-c3ncncc32)cc1 ZINC000006093303 181312235 /nfs/dbraw/zinc/31/22/35/181312235.db2.gz ZKGILAGEAKMIIG-INIZCTEOSA-N 0 0 313.187 4.944 1 0 DJAFRN O=C(NC1CCCCC1)c1cc2c(s1)-c1ccsc1CC2 ZINC000009777176 181640873 /nfs/dbraw/zinc/64/08/73/181640873.db2.gz OKNZUAKWCQMZIF-UHFFFAOYSA-N 0 0 317.479 4.638 1 0 DJAFRN CCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccccc1C ZINC000013742206 181887766 /nfs/dbraw/zinc/88/77/66/181887766.db2.gz OAEPPJBDGPGZQD-UHFFFAOYSA-N 0 0 320.392 4.975 1 0 DJAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1 ZINC000013727238 181885175 /nfs/dbraw/zinc/88/51/75/181885175.db2.gz DTZBHUMFEUZNDI-UHFFFAOYSA-N 0 0 320.392 4.970 1 0 DJAFRN CC1(C)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2NC1=O ZINC000013860672 181907446 /nfs/dbraw/zinc/90/74/46/181907446.db2.gz CQXYSOWCFMSEJU-UHFFFAOYSA-N 0 0 306.192 4.890 1 0 DJAFRN CCCC[C@@H]1CNC(=S)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000015952991 182026343 /nfs/dbraw/zinc/02/63/43/182026343.db2.gz DDNJBOPCKTYBIL-YMVOSSCXSA-N 0 0 320.546 4.753 3 0 DJAFRN Cc1ccccc1-c1nc2ncccn2c1NC1CCC(C)CC1 ZINC000021631358 182281430 /nfs/dbraw/zinc/28/14/30/182281430.db2.gz NMSPRWWVKVYBNA-UHFFFAOYSA-N 0 0 320.440 4.695 1 0 DJAFRN FC(F)(F)c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000028525717 182527023 /nfs/dbraw/zinc/52/70/23/182527023.db2.gz YZLRMPIIVGXAIO-UHFFFAOYSA-N 0 0 322.355 4.960 1 0 DJAFRN CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(N)=O ZINC000029558522 182570797 /nfs/dbraw/zinc/57/07/97/182570797.db2.gz AYEYCUZNUZTKCK-JGKLHWIESA-N 0 0 319.489 4.588 1 0 DJAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](O)CC(C)(C)[C@H]1CC2 ZINC000033833588 182723670 /nfs/dbraw/zinc/72/36/70/182723670.db2.gz PRYXPGFZVGZNBL-BOUXLOLZSA-N 0 0 302.458 4.517 1 0 biogenic,in-vitro DJAFRN Cc1nccn1-c1cc(C)cc(OCc2cccc(Cl)c2)c1 ZINC000036352027 182817826 /nfs/dbraw/zinc/81/78/26/182817826.db2.gz WNBNWGJNGDVFAS-UHFFFAOYSA-N 0 0 312.800 4.722 1 0 DJAFRN FC(F)(F)Oc1ccc(SCSC(F)(F)F)cc1 ZINC000039130258 183014096 /nfs/dbraw/zinc/01/40/96/183014096.db2.gz NQIFJDCDSSVYRH-UHFFFAOYSA-N 0 0 308.268 4.888 1 0 DJAFRN Cc1ccc(O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2)cc1 ZINC000040395416 183060706 /nfs/dbraw/zinc/06/07/06/183060706.db2.gz ABSDUJJVZAVKOL-SFHVURJKSA-N 0 0 312.800 4.665 1 0 DJAFRN CCOC(=O)c1c2ccccc2n(C)c1N[C@@H](C)c1ccccc1 ZINC000040566878 183103763 /nfs/dbraw/zinc/10/37/63/183103763.db2.gz FGRJDANNDVUGKE-AWEZNQCLSA-N 0 0 322.408 4.528 1 0 DJAFRN O=C(Nc1ccc(-c2cccc(Cl)c2)cn1)c1ccccc1 ZINC000040834743 183140130 /nfs/dbraw/zinc/14/01/30/183140130.db2.gz FVYRTNUAQBLSIV-UHFFFAOYSA-N 0 0 308.768 4.654 1 0 DJAFRN CC(C)CCN1c2ccccc2[C@]2(CCC(C)C)CCN(C)[C@H]12 ZINC000040836297 183140358 /nfs/dbraw/zinc/14/03/58/183140358.db2.gz ZYKGTEZXVRKGSC-RTWAWAEBSA-N 0 0 314.517 4.888 1 0 DJAFRN Clc1ccc([C@H](CCn2ccnc2)Oc2ccccc2)cc1 ZINC000040848059 183141395 /nfs/dbraw/zinc/14/13/95/183141395.db2.gz CTRZCHIMRCQCPV-SFHVURJKSA-N 0 0 312.800 4.747 1 0 DJAFRN COc1ccccc1Cc1cc2c(C(C)C)ccc(C)c2oc1=O ZINC000040894502 183147206 /nfs/dbraw/zinc/14/72/06/183147206.db2.gz LETCVVHTUNUZFS-UHFFFAOYSA-N 0 0 322.404 4.824 1 0 DJAFRN C[C@@H]1CCC2=C(C[C@H]3C[C@]2(C)C(=O)O3)[C@@]1(C)CCc1ccoc1 ZINC000040933225 183149197 /nfs/dbraw/zinc/14/91/97/183149197.db2.gz FDUDLSYSEPOLKN-VGJAGTOYSA-N 0 0 314.425 4.671 1 0 DJAFRN Cc1cccc(NC(=O)c2cc(F)cc(-c3ccccc3C)c2)n1 ZINC000040876244 183145086 /nfs/dbraw/zinc/14/50/86/183145086.db2.gz CJCKZKHIPRLAKA-UHFFFAOYSA-N 0 0 320.367 4.757 1 0 DJAFRN COc1cc(/C=C\c2ccc(OC)c(O)c2)cc2sccc21 ZINC000040873486 183145562 /nfs/dbraw/zinc/14/55/62/183145562.db2.gz DPROZTOPRHLDGW-ARJAWSKDSA-N 0 0 312.390 4.795 1 0 DJAFRN Cc1c2oc(-c3cnccn3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043009848 183327845 /nfs/dbraw/zinc/32/78/45/183327845.db2.gz DOTOEJILVAUZIO-UHFFFAOYSA-N 0 0 308.381 4.610 1 0 DJAFRN CC(C)=CCN1Cc2ccccc2-c2c3ccccc3[nH]c2C1=O ZINC000043121507 183339362 /nfs/dbraw/zinc/33/93/62/183339362.db2.gz BTRXHDXKBWKDIC-UHFFFAOYSA-N 0 0 316.404 4.757 1 0 DJAFRN COc1cc(OC)cc(-c2cc3occ(C)c3c(=S)o2)c1 ZINC000045337281 183498410 /nfs/dbraw/zinc/49/84/10/183498410.db2.gz GLDGJWDMIBQPRB-UHFFFAOYSA-N 0 0 302.351 4.748 1 0 DJAFRN CCO[P@]1(=O)OC(c2ccccc2)=Cc2ccc(Cl)cc21 ZINC000049088109 183711732 /nfs/dbraw/zinc/71/17/32/183711732.db2.gz ROYUIAKRPHAXTH-NRFANRHFSA-N 0 0 320.712 4.723 1 0 DJAFRN Clc1cccc(Cl)c1[C@@H]1C[C@@H]2Cc3ccccc3N1O2 ZINC000053229481 183894013 /nfs/dbraw/zinc/89/40/13/183894013.db2.gz WJCRNEJVPVXHJG-NHYWBVRUSA-N 0 0 306.192 4.801 1 0 DJAFRN CC(C)(C)c1ccc([C@H](O)c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000061907456 184194521 /nfs/dbraw/zinc/19/45/21/184194521.db2.gz YQBPREDEOMFCBU-SFHVURJKSA-N 0 0 324.399 4.595 3 0 DJAFRN COc1ccc(-c2coc3c2cccc3C(=O)NC(C)C)c(C)c1 ZINC000061896810 184193153 /nfs/dbraw/zinc/19/31/53/184193153.db2.gz WFXDWVYWXUUUNS-UHFFFAOYSA-N 0 0 323.392 4.555 3 0 DJAFRN Cc1cc(Cl)ccc1[C@](C)(O)c1nc2ccccc2s1 ZINC000064549218 184299550 /nfs/dbraw/zinc/29/95/50/184299550.db2.gz DTSMWLQTKIUCPK-INIZCTEOSA-N 0 0 303.814 4.514 1 0 DJAFRN Clc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000066259830 184399300 /nfs/dbraw/zinc/39/93/00/184399300.db2.gz BTMJQBGORCGANK-UHFFFAOYSA-N 0 0 306.152 4.787 1 0 DJAFRN Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@H]2c2ccc(F)cc2)S3)on1 ZINC000066262310 184399764 /nfs/dbraw/zinc/39/97/64/184399764.db2.gz LXAGRMZFEDEAAM-XJNFMUPTSA-N 0 0 303.402 4.657 1 0 DJAFRN CC1=CC(C)(C)N(Cc2ccc(F)c(F)c2)c2ccc(O)cc21 ZINC000066156646 134829632 /nfs/dbraw/zinc/82/96/32/134829632.db2.gz IPSBPNRPIHENTJ-UHFFFAOYSA-N 0 0 315.363 4.873 1 0 DJAFRN CC1(C)C=Cc2c(ccc3c2O[C@H](c2ccccc2)CC3=O)O1 ZINC000031170242 560090129 /nfs/dbraw/zinc/09/01/29/560090129.db2.gz GJRSGESHUAFWMY-SFHVURJKSA-N 0 0 306.361 4.577 1 0 biogenic,in-vitro DJAFRN C/C=C/CCCCc1c(O)cc(CC=C(C)C)c(O)c1C=O ZINC000013374439 560215531 /nfs/dbraw/zinc/21/55/31/560215531.db2.gz HBLOFOWPCVDNCG-SNAWJCMRSA-N 0 0 302.414 4.708 1 0 in-vitro DJAFRN COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]1(O)C2 ZINC000014515170 560222251 /nfs/dbraw/zinc/22/22/51/560222251.db2.gz VYTJHRLRPJAMJT-FPOVZHCZSA-N 0 0 316.485 4.865 1 0 biogenic,in-vitro DJAFRN COc1cc(/C=C\c2cc3ccccc3o2)cc(OC)c1OC ZINC000095561956 185380001 /nfs/dbraw/zinc/38/00/01/185380001.db2.gz KGQOYGBSVPZZNQ-HJWRWDBZSA-N 0 0 310.349 4.629 1 0 DJAFRN COc1ccc2[nH]c(-c3cc(-c4cccc(F)c4)no3)cc2c1 ZINC000095560865 185380073 /nfs/dbraw/zinc/38/00/73/185380073.db2.gz VZECXRQGJVNKSX-UHFFFAOYSA-N 0 0 308.312 4.638 1 0 DJAFRN Fc1ccc(C2=NO[C@@H]3CCCCCC[C@@H]23)cc1C(F)(F)F ZINC000095578417 185380783 /nfs/dbraw/zinc/38/07/83/185380783.db2.gz PTCNDYVSDJGJEI-BXUZGUMPSA-N 0 0 315.310 4.918 1 0 DJAFRN CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3n[nH]cc3C[C@]21C ZINC000095576560 185380856 /nfs/dbraw/zinc/38/08/56/185380856.db2.gz ZTJLUUBYUUWSGE-LAUBAEHRSA-N 0 0 324.468 4.593 1 0 DJAFRN Fc1ccc(C2=NO[C@@H]3CCCCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000095580646 185381098 /nfs/dbraw/zinc/38/10/98/185381098.db2.gz LFKWVDHNWBUTDZ-TZMCWYRMSA-N 0 0 315.310 4.918 1 0 DJAFRN CCc1nccn1[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000095590404 185381891 /nfs/dbraw/zinc/38/18/91/185381891.db2.gz GFCARFXQSCOCLG-FQEVSTJZSA-N 0 0 302.377 4.829 1 0 DJAFRN Cc1cc(C)n(-c2c3cc(C)ccc3[nH]c2-c2ccccc2)n1 ZINC000096910150 185391037 /nfs/dbraw/zinc/39/10/37/185391037.db2.gz ILWOLJOLFAFSNT-UHFFFAOYSA-N 0 0 301.393 4.946 1 0 DJAFRN COc1ccc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)cc1 ZINC000096927860 185391920 /nfs/dbraw/zinc/39/19/20/185391920.db2.gz GADKSHRXWACYOC-UHFFFAOYSA-N 0 0 314.768 4.739 1 0 DJAFRN Cc1ccn2cc(-c3ccc(NCc4ccccc4)cc3)nc2c1 ZINC000169350553 197745462 /nfs/dbraw/zinc/74/54/62/197745462.db2.gz TUHAENOWYHJYGF-UHFFFAOYSA-N 0 0 313.404 4.922 1 0 DJAFRN O=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)oc2ccccc12 ZINC000103171681 185436499 /nfs/dbraw/zinc/43/64/99/185436499.db2.gz QCDQYCKIWYDYQC-JXMROGBWSA-N 0 0 316.278 4.982 1 0 DJAFRN CC[C@]1(C(=O)N[C@@H](C)C2CCCCCC2)[C@@H](C)C1(Cl)Cl ZINC000103294010 185445105 /nfs/dbraw/zinc/44/51/05/185445105.db2.gz PWMYNWKXMOJQAE-YWPYICTPSA-N 0 0 320.304 4.682 1 0 DJAFRN CC(C)c1ccc2c(c1O)CC[C@H]1[C@](C)(CO)CCC[C@]21C ZINC000103298206 185445199 /nfs/dbraw/zinc/44/51/99/185445199.db2.gz ZGQGBEGMJCXLOB-YSIASYRMSA-N 0 0 302.458 4.518 1 0 DJAFRN CCCCCCc1cc[nH]c1/C=C1\N=C(c2ccc[nH]2)C=C1OC ZINC000072139772 191048001 /nfs/dbraw/zinc/04/80/01/191048001.db2.gz JYQNQHBQVBUIAH-UYRXBGFRSA-N 0 0 323.440 4.840 1 0 DJAFRN Clc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 ZINC000072175696 191070344 /nfs/dbraw/zinc/07/03/44/191070344.db2.gz HKNGHBXTYJUNBW-UHFFFAOYSA-N 0 0 307.784 4.982 1 0 DJAFRN CCCCCSc1nc2ncccc2c(NCCCC)n1 ZINC000072182202 191071592 /nfs/dbraw/zinc/07/15/92/191071592.db2.gz LSYRSNJWUGTTTR-UHFFFAOYSA-N 0 0 304.463 4.519 1 0 DJAFRN CC(C)c1nccn1Cc1coc(-c2cccc3ccccc32)n1 ZINC000072182924 191072008 /nfs/dbraw/zinc/07/20/08/191072008.db2.gz IEZGBECFPDNBRK-UHFFFAOYSA-N 0 0 317.392 4.863 1 0 DJAFRN Cc1ccc(-c2nc(CN[C@H](C)c3ccc(C)cc3)co2)cc1 ZINC000072180071 191072221 /nfs/dbraw/zinc/07/22/21/191072221.db2.gz VMAPRFWYLAMSMX-MRXNPFEDSA-N 0 0 306.409 4.809 1 0 DJAFRN Cc1csc2cc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cnc12 ZINC000072322888 191122298 /nfs/dbraw/zinc/12/22/98/191122298.db2.gz CHIQPRVAWAJMSW-SMDDNHRTSA-N 0 0 316.470 4.549 2 0 DJAFRN CC(=O)O[C@H]1C(C)=C(c2ccccc2)[C@H](c2ccccc2)[C@H]1C ZINC000072481849 191181117 /nfs/dbraw/zinc/18/11/17/191181117.db2.gz MPDMNTGZHPNSNG-XWRIVVANSA-N 0 0 306.405 4.825 2 0 DJAFRN CC(=O)O[C@H]1C(C)=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C ZINC000072481848 191181478 /nfs/dbraw/zinc/18/14/78/191181478.db2.gz MPDMNTGZHPNSNG-UQIDSAAFSA-N 0 0 306.405 4.825 2 0 DJAFRN c1[nH]c2ccccc2c1-c1cnc(-c2c[nH]c3ccccc32)cn1 ZINC000001655070 180884496 /nfs/dbraw/zinc/88/44/96/180884496.db2.gz KENUOBFZYLZIHY-UHFFFAOYSA-N 0 0 310.360 4.773 1 0 DJAFRN O=c1cc2c(c(SCc3ccccc3Cl)[nH]1)CCCC2 ZINC000073142206 191282736 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181088804 /nfs/dbraw/zinc/08/88/04/181088804.db2.gz NNUPKVVHXZMMGM-UHFFFAOYSA-N 0 0 316.364 4.645 1 0 DJAFRN O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055271 181197886 /nfs/dbraw/zinc/19/78/86/181197886.db2.gz FKTRHCIEGKRZSE-GOSISDBHSA-N 0 0 324.811 4.564 1 0 DJAFRN Fc1cccc(F)c1[C@H]1SCc2nc3cc(Cl)ccc3n21 ZINC000005580460 181259722 /nfs/dbraw/zinc/25/97/22/181259722.db2.gz DOYMANWEFQYWJA-OAHLLOKOSA-N 0 0 322.767 4.762 1 0 DJAFRN Fc1cccc(F)c1[C@H]1SCc2nc3ccc(Cl)cc3n21 ZINC000005580443 181260017 /nfs/dbraw/zinc/26/00/17/181260017.db2.gz AYHMQULRXBSYMV-OAHLLOKOSA-N 0 0 322.767 4.762 1 0 DJAFRN Clc1cccc(Cl)c1[C@@H]1SCc2nc3ncccc3n21 ZINC000005580435 181260044 /nfs/dbraw/zinc/26/00/44/181260044.db2.gz XVUUYRULOQPAAT-AWEZNQCLSA-N 0 0 322.220 4.532 1 0 DJAFRN Clc1ccc(-c2[nH]c3nccnc3c2Cc2ccccc2)cc1 ZINC000013492972 181855864 /nfs/dbraw/zinc/85/58/64/181855864.db2.gz RIFUFLYTGPSIHT-UHFFFAOYSA-N 0 0 319.795 4.869 1 0 DJAFRN C[C@@H]1C=C[C@H](C)[C@@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000016955409 182066065 /nfs/dbraw/zinc/06/60/65/182066065.db2.gz URBRMKMYZLDTHF-WOUAJJJCSA-N 0 0 318.416 4.827 3 0 DJAFRN CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3=O ZINC000024611445 182385115 /nfs/dbraw/zinc/38/51/15/182385115.db2.gz LMLBXQAVRKJIKS-UHFFFAOYSA-N 0 0 311.331 4.784 1 0 DJAFRN Nc1ccc2c(c1)[nH]c(-c1ccc(F)cc1)c2-c1ccncc1 ZINC000026989129 182460758 /nfs/dbraw/zinc/46/07/58/182460758.db2.gz CYBPFCXTRADFRZ-UHFFFAOYSA-N 0 0 303.340 4.618 1 0 DJAFRN COc1cc(/C=C/C=C/c2nc3cc(C)ccc3o2)ccc1O ZINC000027213383 182465344 /nfs/dbraw/zinc/46/53/44/182465344.db2.gz SVPHIHNMQVQVDC-GGWOSOGESA-N 0 0 307.349 4.577 1 0 DJAFRN CCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 ZINC000029128683 182553263 /nfs/dbraw/zinc/55/32/63/182553263.db2.gz FFZGPAHRUNZOGB-UHFFFAOYSA-N 0 0 312.457 5.000 1 0 DJAFRN CCO[C@@H](/C=C/c1ccccc1)c1ccc(C(C)C)cc(=O)c1O ZINC000029469140 182566036 /nfs/dbraw/zinc/56/60/36/182566036.db2.gz IRTFQFQUKFPGSB-YPNIWSFNSA-N 0 0 324.420 4.667 1 0 DJAFRN Fc1ccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)cc1 ZINC000040380007 183057990 /nfs/dbraw/zinc/05/79/90/183057990.db2.gz FEGUMLPHNPYTPR-HKUYNNGSSA-N 0 0 305.352 4.787 1 0 DJAFRN O=C1Nc2ccccc2/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000040407672 183062081 /nfs/dbraw/zinc/06/20/81/183062081.db2.gz SDHIVYBWQHVMKJ-XMHGGMMESA-N 0 0 313.356 4.972 1 0 DJAFRN Cn1c(-c2ccccc2)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040425335 183065121 /nfs/dbraw/zinc/06/51/21/183065121.db2.gz AMRNFCHSNOKVDZ-UHFFFAOYSA-N 0 0 323.827 4.606 1 0 DJAFRN C[C@]12CCCC(C)(C)C1=C[C@H]1C(=O)O[C@H](c3ccc(F)cc3)[C@H]12 ZINC000040847714 183140938 /nfs/dbraw/zinc/14/09/38/183140938.db2.gz NKKUEIFRKHGZLD-ASKNOMKYSA-N 0 0 314.400 4.812 1 0 DJAFRN C[C@@]1(c2ccc(Cl)cc2)ON=C(c2ccc(Cl)cc2)O1 ZINC000040933293 183148996 /nfs/dbraw/zinc/14/89/96/183148996.db2.gz YMGIYMMZVYSABB-HNNXBMFYSA-N 0 0 308.164 4.575 1 0 DJAFRN CCCC[C@H]1NC(=O)c2[nH]c3ccccc3c2-c2ccccc21 ZINC000040937916 183149287 /nfs/dbraw/zinc/14/92/87/183149287.db2.gz KXBPIZOYWOVUQA-MRXNPFEDSA-N 0 0 304.393 4.810 1 0 DJAFRN Cc1ccc(-c2ccc(C(=O)Oc3cncc(Cl)c3)o2)cc1 ZINC000040953416 183150528 /nfs/dbraw/zinc/15/05/28/183150528.db2.gz VTLDRSZXYSISAA-UHFFFAOYSA-N 0 0 313.740 4.523 1 0 DJAFRN CN(C)c1ccc(-c2cc(-c3ccccc3)ccc2C=O)cc1 ZINC000040980107 183154318 /nfs/dbraw/zinc/15/43/18/183154318.db2.gz QHLYAPWVYDKIDB-UHFFFAOYSA-N 0 0 301.389 4.899 1 0 DJAFRN CC[C@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1ccnc1 ZINC000042989304 183326213 /nfs/dbraw/zinc/32/62/13/183326213.db2.gz IZQNXPIWJTTZEN-QGZVFWFLSA-N 0 0 312.800 4.909 1 0 DJAFRN CCCCNc1nc(C(Cl)(Cl)Cl)nc2ccccc21 ZINC000043064894 183333983 /nfs/dbraw/zinc/33/39/83/183333983.db2.gz BMQCESKONJVHEW-UHFFFAOYSA-N 0 0 318.635 4.669 1 0 DJAFRN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nnc(-c2cccs2)o1 ZINC000103274426 193926946 /nfs/dbraw/zinc/92/69/46/193926946.db2.gz OOAJKRNXFWTPLO-GMSGAONNSA-N 0 0 315.225 4.857 1 0 DJAFRN Cc1ccc(Nc2nccc(-c3ccnc4ccccc43)n2)cc1 ZINC000049034171 183703901 /nfs/dbraw/zinc/70/39/01/183703901.db2.gz HFJKLAQBWSUMDJ-UHFFFAOYSA-N 0 0 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ZINC000004913868 581091188 /nfs/dbraw/zinc/09/11/88/581091188.db2.gz UVAQHLGVSKJLTI-XUDSTZEESA-N 0 0 314.469 4.677 1 0 DJAFRN O=Cc1ccc([C@H](CN2CC23CCCCC3)C2CCCC2)cc1 ZINC000085547956 560072154 /nfs/dbraw/zinc/07/21/54/560072154.db2.gz OUHQZQRGXVHIAA-PSDZMVHGSA-N 0 0 311.469 4.791 1 0 biogenic,in-vitro DJAFRN C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000015156365 560097761 /nfs/dbraw/zinc/09/77/61/560097761.db2.gz GYQICJPGOHABHH-SIKIZQCASA-N 0 0 314.425 4.528 1 0 biogenic DJAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@H](O)CC(C)(C)[C@@H]1CC2 ZINC000013302086 560213865 /nfs/dbraw/zinc/21/38/65/560213865.db2.gz PRYXPGFZVGZNBL-HEFCMCLBSA-N 0 0 302.458 4.517 1 0 in-vitro DJAFRN CC(C)=CCc1c(O)ccc2c1OCc1c3ccc(O)cc3oc1-2 ZINC000015115235 560228500 /nfs/dbraw/zinc/22/85/00/560228500.db2.gz VREXGHBHPUSDKC-UHFFFAOYSA-N 0 0 322.360 4.912 1 0 biogenic,in-vitro DJAFRN CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012493502 574412998 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/nfs/dbraw/zinc/38/08/96/185380896.db2.gz RYRXBEZSJBUEFM-UHFFFAOYSA-N 0 0 307.349 4.558 1 0 DJAFRN Cc1cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl ZINC000095581655 185380924 /nfs/dbraw/zinc/38/09/24/185380924.db2.gz KRDUMXYLMIWMMP-UHFFFAOYSA-N 0 0 312.800 4.994 1 0 in-vitro DJAFRN Fc1ccc(C2=NO[C@@H]3CCCCCC[C@H]23)c(C(F)(F)F)c1 ZINC000095580644 185381042 /nfs/dbraw/zinc/38/10/42/185381042.db2.gz LFKWVDHNWBUTDZ-GXTWGEPZSA-N 0 0 315.310 4.918 1 0 DJAFRN NC(=O)c1ccccc1Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000095580498 185381073 /nfs/dbraw/zinc/38/10/73/185381073.db2.gz QQBRYMUXUBLRID-KHPPLWFESA-N 0 0 314.388 4.700 1 0 DJAFRN Cc1ccc(-c2ccc(Cn3cccc(O)c3=S)cc2)cc1 ZINC000095591791 185382014 /nfs/dbraw/zinc/38/20/14/185382014.db2.gz QBARVXAQLMAXTF-UHFFFAOYSA-N 0 0 307.418 4.947 1 0 DJAFRN O=C(NC1CCCCCCC1)c1cc2cc(Cl)ccc2o1 ZINC000095604203 185382311 /nfs/dbraw/zinc/38/23/11/185382311.db2.gz SBTRSJXIVBEZNS-UHFFFAOYSA-N 0 0 305.805 4.929 1 0 DJAFRN CN(Cc1ccccc1)c1ccc2nc(-c3ccccc3)oc2n1 ZINC000096911324 185391015 /nfs/dbraw/zinc/39/10/15/185391015.db2.gz UILUPKDWRGXCCA-UHFFFAOYSA-N 0 0 315.376 4.526 1 0 DJAFRN COc1ccc2cc(CCCCC(=O)C(F)(F)F)ccc2c1 ZINC000096915454 185391492 /nfs/dbraw/zinc/39/14/92/185391492.db2.gz JSYOJQCEZIQBNY-UHFFFAOYSA-N 0 0 310.315 4.693 1 0 DJAFRN c1ccc(-c2n[nH]c(C3CC3)c2-c2ccnc3ccccc32)nc1 ZINC000012365475 190637272 /nfs/dbraw/zinc/63/72/72/190637272.db2.gz KUWVOCJVMUNDRT-UHFFFAOYSA-N 0 0 312.376 4.564 1 0 DJAFRN COc1cc(-c2nc(C)nc3[nH]c(C)cc32)c(Cl)cc1Cl ZINC000071341207 190961218 /nfs/dbraw/zinc/96/12/18/190961218.db2.gz KKSXYVCGRGBHJZ-UHFFFAOYSA-N 0 0 322.195 4.557 1 0 DJAFRN Cn1ccc2c1c1c(cc2N2CCCCCCC2)[C@@H]2CC[C@H]1O2 ZINC000072137744 191047908 /nfs/dbraw/zinc/04/79/08/191047908.db2.gz PWAJIQFOEXCAEU-ZWKOTPCHSA-N 0 0 310.441 4.855 1 0 DJAFRN CCCc1nc2ccc(C)cn2c1Cc1ccc(OC)cc1C ZINC000072139362 191048121 /nfs/dbraw/zinc/04/81/21/191048121.db2.gz QANVKQHNGJYUCU-UHFFFAOYSA-N 0 0 308.425 4.503 3 0 DJAFRN c1c2ccccc2[nH]c1-c1nsc(-c2cc3ccccc3[nH]2)n1 ZINC000072126952 191042501 /nfs/dbraw/zinc/04/25/01/191042501.db2.gz HBEPTQWIUKWGSP-UHFFFAOYSA-N 0 0 316.389 4.835 1 0 DJAFRN CCCCCc1ccc(-c2nc(C)c(C(=O)OC)s2)cc1 ZINC000072172225 191069855 /nfs/dbraw/zinc/06/98/55/191069855.db2.gz UPHGOTBHDQHKQB-UHFFFAOYSA-N 0 0 303.427 4.638 1 0 DJAFRN CSc1nn(-c2ccccc2)c2cc(-c3ccncc3)ccc12 ZINC000072177583 191070717 /nfs/dbraw/zinc/07/07/17/191070717.db2.gz NKUZUVBGIYSYCQ-UHFFFAOYSA-N 0 0 317.417 4.809 1 0 DJAFRN CCCCN(CCCC)C(=O)c1cnc2c(C)csc2c1 ZINC000072322928 191121740 /nfs/dbraw/zinc/12/17/40/191121740.db2.gz JGRVKWJGESUMQW-UHFFFAOYSA-N 0 0 304.459 4.647 2 0 DJAFRN Cc1csc2cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)cnc12 ZINC000072322890 191121743 /nfs/dbraw/zinc/12/17/43/191121743.db2.gz CHIQPRVAWAJMSW-BXUZGUMPSA-N 0 0 316.470 4.549 2 0 DJAFRN CCCCn1cc(C(=O)Nc2cccc(C)c2C)c2cccnc21 ZINC000072323484 191122355 /nfs/dbraw/zinc/12/23/55/191122355.db2.gz SWURAIWHFMIRRS-UHFFFAOYSA-N 0 0 321.424 4.706 2 0 DJAFRN CC[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@H](O)C[C@@H]21 ZINC000095912105 290937980 /nfs/dbraw/zinc/93/79/80/290937980.db2.gz GSYGABCZSUAKHS-CISPMOHPSA-N 0 0 308.506 4.697 1 0 biogenic,in-vitro DJAFRN COC[C@@]1(O)C2(CCCC2)[C@@H]2CC[C@@]1(C)[C@@]2(C)C1CCCCC1 ZINC000085545651 290937983 /nfs/dbraw/zinc/93/79/83/290937983.db2.gz XMUPDNDAPQJFTD-JKBKZWBZSA-N 0 0 320.517 4.941 1 0 biogenic,in-vitro DJAFRN Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3 ZINC000014724912 290938547 /nfs/dbraw/zinc/93/85/47/290938547.db2.gz DYYRDAOHGZJZRW-HNNXBMFYSA-N 0 0 314.425 4.962 1 0 biogenic,in-vitro DJAFRN CCCc1nc(-c2cc(N)ccn2)c(-c2ccccc2C)s1 ZINC000000016726 180669613 /nfs/dbraw/zinc/66/96/13/180669613.db2.gz RVIDGZASLPEQDJ-UHFFFAOYSA-N 0 0 309.438 4.715 1 0 DJAFRN CC(=O)O[C@H]1C(C)=C(c2ccccc2)[C@@H](c2ccccc2)[C@H]1C ZINC000072481847 191180599 /nfs/dbraw/zinc/18/05/99/191180599.db2.gz MPDMNTGZHPNSNG-YFZFPPMRSA-N 0 0 306.405 4.825 2 0 DJAFRN CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cn1C ZINC000001638643 180882425 /nfs/dbraw/zinc/88/24/25/180882425.db2.gz GVKIAERLQJXJRW-UHFFFAOYSA-N 0 0 305.377 4.536 1 0 DJAFRN Cc1nc(-c2ccccc2C)n2c1c(C)nc1ccc(F)cc12 ZINC000073157526 191285670 /nfs/dbraw/zinc/28/56/70/191285670.db2.gz VCYNWUHOQVCKIZ-UHFFFAOYSA-N 0 0 305.356 4.614 1 0 DJAFRN c1c(-c2cccc(-c3nc4ccccc4[nH]3)c2)nc2ccccn12 ZINC000073157605 191286345 /nfs/dbraw/zinc/28/63/45/191286345.db2.gz GXKGMHZDCDTBEX-UHFFFAOYSA-N 0 0 310.360 4.545 1 0 DJAFRN O=c1c(Cc2ccc(Cl)cc2)coc2ccc(Cl)cc12 ZINC000003637274 181042701 /nfs/dbraw/zinc/04/27/01/181042701.db2.gz TYGCSMFETMMFKY-UHFFFAOYSA-N 0 0 305.160 4.691 1 0 DJAFRN CO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000073200126 191291105 /nfs/dbraw/zinc/29/11/05/191291105.db2.gz HMZCGBXTUICPOE-PDGQHHTCSA-N 0 0 313.372 4.575 1 0 DJAFRN COc1cc2cc(-c3sccc3Cl)cnc2cc1OC ZINC000003834022 181047689 /nfs/dbraw/zinc/04/76/89/181047689.db2.gz KYBWLWWAINBJFX-UHFFFAOYSA-N 0 0 305.786 4.634 1 0 DJAFRN Fc1cc2[nH]cc(-c3nc4ccccc4nc3Cl)c2cc1F ZINC000073199587 191291977 /nfs/dbraw/zinc/29/19/77/191291977.db2.gz 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ZINC000006520535 181348684 /nfs/dbraw/zinc/34/86/84/181348684.db2.gz IRWWPMAJFGDAIF-UHFFFAOYSA-N 0 0 321.804 4.809 1 0 DJAFRN Nc1nc(-c2ccccn2)c(-c2cccc3ccccc32)s1 ZINC000013581990 181864946 /nfs/dbraw/zinc/86/49/46/181864946.db2.gz FBRYPDFBOXDMJY-UHFFFAOYSA-N 0 0 303.390 4.608 1 0 DJAFRN CC[C@@H](C)NC(=O)c1nc(-c2ccccc2)c2ccccc2c1C ZINC000013765086 181892268 /nfs/dbraw/zinc/89/22/68/181892268.db2.gz AKJZELBCYQKPGD-CQSZACIVSA-N 0 0 318.420 4.739 1 0 DJAFRN CCc1c2cc(C(F)(F)F)ccc2[nH]c1C1(O)CCCCC1 ZINC000015935068 182025455 /nfs/dbraw/zinc/02/54/55/182025455.db2.gz CQRWZLUKOOUZNU-UHFFFAOYSA-N 0 0 311.347 4.901 3 0 DJAFRN Cc1ccc(SCCN2CC[C@H](C(C)(C)C)CCC2=O)cc1 ZINC000015937195 182025996 /nfs/dbraw/zinc/02/59/96/182025996.db2.gz YSWCMXBRVDUNHN-MRXNPFEDSA-N 0 0 319.514 4.762 3 0 DJAFRN CC[C@H](C)N1Cc2c(nc3ccccc3c2-c2ccccc2)C1=O ZINC000026733640 182451554 /nfs/dbraw/zinc/45/15/54/182451554.db2.gz WEEAJLJMULCXJN-AWEZNQCLSA-N 0 0 316.404 4.656 1 0 DJAFRN Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCCCC2 ZINC000027308744 182467996 /nfs/dbraw/zinc/46/79/96/182467996.db2.gz DZKPGWQFDAWZRT-UHFFFAOYSA-N 0 0 321.445 4.983 1 0 DJAFRN Oc1ccc(C2=C(c3ccccc3)Cc3ccccc3O2)cc1 ZINC000026969961 182460254 /nfs/dbraw/zinc/46/02/54/182460254.db2.gz ZVVWCUYMMPSAFB-UHFFFAOYSA-N 0 0 300.357 4.896 1 0 DJAFRN CCOP(=O)(OCC)Oc1ccc(SC)c(Cl)c1 ZINC000027736593 182489196 /nfs/dbraw/zinc/48/91/96/182489196.db2.gz UONVQNGPCKJJAS-UHFFFAOYSA-N 0 0 310.739 4.622 1 0 DJAFRN O=C1N(c2ccccc2)[C@]2(c3ccccc3)C[C@@H]3CCC[C@]13S2 ZINC000031904804 182629242 /nfs/dbraw/zinc/62/92/42/182629242.db2.gz HZNSFJWOZITKMB-PWIZWCRZSA-N 0 0 321.445 4.562 1 0 DJAFRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000038982806 183013577 /nfs/dbraw/zinc/01/35/77/183013577.db2.gz IETGKXOQYQPRKB-CMPLNLGQSA-N 0 0 309.196 4.795 1 0 DJAFRN COc1cc(/C=C\c2ccc(OC)c(N)c2)cc2sccc21 ZINC000040380163 183058370 /nfs/dbraw/zinc/05/83/70/183058370.db2.gz SWHQLZRVYDRWHC-ARJAWSKDSA-N 0 0 311.406 4.671 1 0 DJAFRN O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2ccccc2Cl)C1 ZINC000040403943 183061705 /nfs/dbraw/zinc/06/17/05/183061705.db2.gz FCSBOSFFDCBLHP-BEFAXECRSA-N 0 0 323.823 4.954 1 0 DJAFRN NC1=Nc2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1 ZINC000040410861 183063096 /nfs/dbraw/zinc/06/30/96/183063096.db2.gz WRBQHLURNAIPDE-SFHVURJKSA-N 0 0 317.417 4.730 1 0 DJAFRN Cc1cc2c(cc1Br)[C@]1(C)CC[C@](C)(CO2)[C@@H]1C ZINC000040430252 183065748 /nfs/dbraw/zinc/06/57/48/183065748.db2.gz YWFBAVMDQGSKKV-IUIKQTSFSA-N 0 0 309.247 4.844 1 0 DJAFRN COc1cccc2oc(-c3ccc(Cl)c(Cl)c3)cc(=O)c12 ZINC000040504431 183084823 /nfs/dbraw/zinc/08/48/23/183084823.db2.gz IYAPTTHGBGUKOU-UHFFFAOYSA-N 0 0 321.159 4.775 1 0 DJAFRN CC[C@H](c1ccc(-c2ccc(NC(C)=O)cc2)cc1)n1ccnc1 ZINC000040977554 183154185 /nfs/dbraw/zinc/15/41/85/183154185.db2.gz GMHNBYFCCAFDRN-HXUWFJFHSA-N 0 0 319.408 4.508 1 0 DJAFRN FC(F)(F)c1ccc(Nc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000040981001 183154213 /nfs/dbraw/zinc/15/42/13/183154213.db2.gz ALLOTYDUFSDLCW-UHFFFAOYSA-N 0 0 311.694 4.979 1 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DJAFRN CCO[P@@]1(=O)OC(c2ccccc2)=C(Cl)c2ccccc21 ZINC000049115990 183713615 /nfs/dbraw/zinc/71/36/15/183713615.db2.gz VFQGFJBHSUGMCM-OAQYLSRUSA-N 0 0 320.712 4.636 1 0 DJAFRN C[C@]1(Cc2ccc(F)c(Cl)c2)C(=O)Nc2c1cccc2Cl ZINC000061902839 184193669 /nfs/dbraw/zinc/19/36/69/184193669.db2.gz QFYKSMPDQZFLLK-MRXNPFEDSA-N 0 0 324.182 4.585 3 0 DJAFRN O[C@H](Cc1ccccc1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000061904283 184193942 /nfs/dbraw/zinc/19/39/42/184193942.db2.gz NSNNMZQOGHURPA-HXUWFJFHSA-N 0 0 314.388 4.506 3 0 DJAFRN CC(C)(C)c1ccc([C@H](O)c2nc(-c3ccccc3F)c[nH]2)cc1 ZINC000061904746 184194131 /nfs/dbraw/zinc/19/41/31/184194131.db2.gz OEQYVFOXDDMADI-SFHVURJKSA-N 0 0 324.399 4.595 3 0 DJAFRN Cc1ccc(F)cc1-c1nc(NCC2CC2)nc2ccsc21 ZINC000061925598 184195725 /nfs/dbraw/zinc/19/57/25/184195725.db2.gz XFTXRGJGNWUBIE-UHFFFAOYSA-N 0 0 313.401 4.628 3 0 DJAFRN Cc1ccccc1C(=O)N1CC[C@H]2C[C@@H]1c1cc(Cl)ccc12 ZINC000061942402 184197365 /nfs/dbraw/zinc/19/73/65/184197365.db2.gz GPVCYOUXOPGQIY-SCLBCKFNSA-N 0 0 311.812 4.723 1 0 DJAFRN C[C@](O)(c1nc(-c2cc3ccccc3o2)cs1)c1ccccc1 ZINC000061895809 184192985 /nfs/dbraw/zinc/19/29/85/184192985.db2.gz ZZZMTDBOVOBSDF-LJQANCHMSA-N 0 0 321.401 4.812 3 0 DJAFRN O[C@@]1(C(F)(F)F)CCCc2c3c([nH]c21)c(Cl)ccc3Cl ZINC000064573548 184300745 /nfs/dbraw/zinc/30/07/45/184300745.db2.gz XXNGJSGAPJBRTC-LBPRGKRZSA-N 0 0 324.129 4.561 1 0 DJAFRN COc1cc2[nH]c(C)c(C3CCCCC3)c(=O)c2cc1Cl ZINC000064540559 184299369 /nfs/dbraw/zinc/29/93/69/184299369.db2.gz GWSLCTAUIFWVTR-UHFFFAOYSA-N 0 0 305.805 4.546 1 0 DJAFRN O[C@]1(C(F)(F)F)CCCc2c3cc(Cl)c(Cl)cc3[nH]c21 ZINC000064549997 184299432 /nfs/dbraw/zinc/29/94/32/184299432.db2.gz OZXBEIHRSWLQHT-GFCCVEGCSA-N 0 0 324.129 4.561 1 0 DJAFRN Cc1cc(Cl)ccc1[C@@](C)(O)c1nc2ccccc2s1 ZINC000064549219 184299498 /nfs/dbraw/zinc/29/94/98/184299498.db2.gz DTSMWLQTKIUCPK-MRXNPFEDSA-N 0 0 303.814 4.514 1 0 DJAFRN C[C@@](O)(c1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000064549221 184299643 /nfs/dbraw/zinc/29/96/43/184299643.db2.gz ZWGQBVNTUHZGNM-HNNXBMFYSA-N 0 0 324.232 4.859 1 0 DJAFRN ON[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000064587489 184301289 /nfs/dbraw/zinc/30/12/89/184301289.db2.gz CNVVAECHCZOKCI-ZDUSSCGKSA-N 0 0 300.572 4.695 1 0 DJAFRN CSc1ccc(C/C(=C/c2ccc(Cl)cc2)[N+](=O)[O-])cc1 ZINC000066097745 184388572 /nfs/dbraw/zinc/38/85/72/184388572.db2.gz AAFCZFABFLBQPK-GDNBJRDFSA-N 0 0 319.813 4.922 1 0 DJAFRN CC(=O)N1N=C(c2cccc3ccccc32)C[C@@H]1c1ccccc1 ZINC000066098832 184389196 /nfs/dbraw/zinc/38/91/96/184389196.db2.gz MSRBUUDIIZXZCB-OAQYLSRUSA-N 0 0 314.388 4.537 1 0 DJAFRN Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1cccs1 ZINC000012353789 134505197 /nfs/dbraw/zinc/50/51/97/134505197.db2.gz OUBBDRUPHRMAJH-IBGZPJMESA-N 0 0 307.418 4.606 1 0 DJAFRN CCCc1nc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 ZINC000013834937 134517019 /nfs/dbraw/zinc/51/70/19/134517019.db2.gz WOQKKVHGAHVPNQ-UHFFFAOYSA-N 0 0 320.440 4.568 1 0 DJAFRN CC(=O)CCCCCCCCCCCC[C@H]1CCC(=O)[C@@H](C)[NH2+]1 ZINC000084153830 560046281 /nfs/dbraw/zinc/04/62/81/560046281.db2.gz VQHQDAAWFVGOFT-MOPGFXCFSA-N 0 0 323.521 4.966 1 0 biogenic,in-vitro DJAFRN CC(C)c1c(O)ccc2c1CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000014768466 560226090 /nfs/dbraw/zinc/22/60/90/560226090.db2.gz NORGIWDZGWMMGU-FUHIMQAGSA-N 0 0 302.458 4.517 1 0 biogenic,in-vitro DJAFRN CC(C)[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000095552489 185379005 /nfs/dbraw/zinc/37/90/05/185379005.db2.gz CMWQZUPPKUGMEP-FQEVSTJZSA-N 0 0 322.452 4.665 1 0 DJAFRN COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1 ZINC000095553576 185379288 /nfs/dbraw/zinc/37/92/88/185379288.db2.gz NZVUFAIPCRAJSL-UHFFFAOYSA-N 0 0 305.333 4.665 1 0 DJAFRN CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1cccc(C)c1 ZINC000095553227 185379506 /nfs/dbraw/zinc/37/95/06/185379506.db2.gz JUTYJORVBWXGJA-SFHVURJKSA-N 0 0 322.452 4.728 3 0 DJAFRN COc1ccc(-c2cc(-c3cc4ccccc4n3C)no2)cc1 ZINC000095558258 185379895 /nfs/dbraw/zinc/37/98/95/185379895.db2.gz AJLOXWFTSDYRDD-UHFFFAOYSA-N 0 0 304.349 4.509 1 0 DJAFRN Fc1ccccc1[C@H](Nc1ccccn1)c1c[nH]c2ccccc21 ZINC000095563390 185380010 /nfs/dbraw/zinc/38/00/10/185380010.db2.gz GLMIIVXMUSOTAQ-FQEVSTJZSA-N 0 0 317.367 4.904 1 0 DJAFRN COc1ccc2c(c1)C(=O)c1ccc(-c3ccccc3)cc1CC2 ZINC000095573650 185380606 /nfs/dbraw/zinc/38/06/06/185380606.db2.gz ZRANJMMIAJAMQH-UHFFFAOYSA-N 0 0 314.384 4.692 1 0 DJAFRN O=C(NC1CCCCC1)N1c2ccccc2Oc2ccccc21 ZINC000095577462 185380679 /nfs/dbraw/zinc/38/06/79/185380679.db2.gz WPDNAENPERWJAU-UHFFFAOYSA-N 0 0 308.381 4.973 1 0 DJAFRN NC(=O)c1ccccc1Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000095577205 185380735 /nfs/dbraw/zinc/38/07/35/185380735.db2.gz QQBRYMUXUBLRID-ZHACJKMWSA-N 0 0 314.388 4.700 1 0 DJAFRN COc1cccc(Oc2ccc(-c3cccc(OC)c3)nc2)c1 ZINC000095577464 185380812 /nfs/dbraw/zinc/38/08/12/185380812.db2.gz IMYWDFKCBWKOOX-UHFFFAOYSA-N 0 0 307.349 4.558 1 0 DJAFRN NC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000095582363 185381122 /nfs/dbraw/zinc/38/11/22/185381122.db2.gz OUTCVBBRIOLIRM-UHFFFAOYSA-N 0 0 316.571 4.538 1 0 DJAFRN COc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)ccn2)cc1 ZINC000095579895 185381214 /nfs/dbraw/zinc/38/12/14/185381214.db2.gz NMOBRIDLAWFOOL-UHFFFAOYSA-N 0 0 321.376 4.867 1 0 DJAFRN Cc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1 ZINC000095581366 185381335 /nfs/dbraw/zinc/38/13/35/185381335.db2.gz GINFHXYEUHACPX-UHFFFAOYSA-N 0 0 306.413 4.678 1 0 DJAFRN Cc1cc(Oc2cccc(Cn3cccn3)c2)cc(C)c1Cl ZINC000095582850 185381361 /nfs/dbraw/zinc/38/13/61/185381361.db2.gz NIEYHUMKANGYNC-UHFFFAOYSA-N 0 0 312.800 4.994 1 0 DJAFRN Oc1cc(-c2ccc(-c3ccc(F)c(O)c3)s2)ccc1F ZINC000095587049 185381427 /nfs/dbraw/zinc/38/14/27/185381427.db2.gz GLZZWWFVILISTI-UHFFFAOYSA-N 0 0 304.317 4.772 1 0 DJAFRN CCc1nccn1Cc1c2ccccc2oc1-c1ccccc1 ZINC000096911284 185391016 /nfs/dbraw/zinc/39/10/16/185391016.db2.gz VCIRECVXSCDLNS-UHFFFAOYSA-N 0 0 302.377 4.907 1 0 DJAFRN c1[nH]c2ccccc2c1-c1ncnc2sc3c(c21)CCCC3 ZINC000096909554 185391091 /nfs/dbraw/zinc/39/10/91/185391091.db2.gz XDNXJHMAMLUXCQ-UHFFFAOYSA-N 0 0 305.406 4.718 1 0 DJAFRN CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 ZINC000096938364 185392916 /nfs/dbraw/zinc/39/29/16/185392916.db2.gz IJBUCAHOZIEBSM-UHFFFAOYSA-N 0 0 320.436 4.831 1 0 DJAFRN Cc1cnn([C@H](c2ccc(OCc3ccccc3)cc2)C2CC2)c1 ZINC000096938121 185393008 /nfs/dbraw/zinc/39/30/08/185393008.db2.gz KWUPIVSYWPGHCV-NRFANRHFSA-N 0 0 318.420 4.770 1 0 DJAFRN O=C(Nc1cccc(Cl)c1)c1cccc(Oc2cccnc2)c1 ZINC000096939153 185393104 /nfs/dbraw/zinc/39/31/04/185393104.db2.gz NVOKGGUUOPGPFH-UHFFFAOYSA-N 0 0 324.767 4.780 1 0 DJAFRN O=C(c1ccccc1Cl)c1nccc2c3ccccc3[nH]c21 ZINC000090494735 185299046 /nfs/dbraw/zinc/29/90/46/185299046.db2.gz PGBRWDIOAWHWOX-UHFFFAOYSA-N 0 0 306.752 4.601 1 0 DJAFRN COc1ccc(NC[C@H]2CCc3ccc4ccccc4c3O2)cc1 ZINC000169333234 197742645 /nfs/dbraw/zinc/74/26/45/197742645.db2.gz QBMKFRSEAYSQHO-LJQANCHMSA-N 0 0 319.404 4.654 1 0 DJAFRN CN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 ZINC000169355927 197745950 /nfs/dbraw/zinc/74/59/50/197745950.db2.gz YRDHDRGKBSXFFA-RBUKOAKNSA-N 0 0 318.420 4.721 1 0 DJAFRN CC(C)(C)O[C@H]1CC[C@@H]2[C@H]3CC[C@H](CCO)C[C@H]3CC[C@@]21C ZINC000169372671 197746684 /nfs/dbraw/zinc/74/66/84/197746684.db2.gz FCJFBYQAMNQGPO-SGTQZHETSA-N 0 0 308.506 4.795 1 0 DJAFRN Nc1ccc2c(n1)[nH]c(-c1cccc(Cl)c1)c2-c1ccncc1 ZINC000026998402 190654215 /nfs/dbraw/zinc/65/42/15/190654215.db2.gz DJIQDCXVLBGSFJ-UHFFFAOYSA-N 0 0 320.783 4.528 1 0 DJAFRN CC(C)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000103283151 185443879 /nfs/dbraw/zinc/44/38/79/185443879.db2.gz AGIHPEPFCKAOLU-INIZCTEOSA-N 0 0 301.336 4.606 1 0 DJAFRN CSc1nc2ccccc2c(=S)n1-c1c(F)cccc1F ZINC000103287322 185444604 /nfs/dbraw/zinc/44/46/04/185444604.db2.gz JIBOZLSOYXDOFG-UHFFFAOYSA-N 0 0 320.389 4.755 1 0 DJAFRN Cc1ccc(N(C)Cc2coc(-c3ccccc3Cl)n2)cc1 ZINC000072102930 191037095 /nfs/dbraw/zinc/03/70/95/191037095.db2.gz PNUNKCPVFZWLSS-UHFFFAOYSA-N 0 0 312.800 4.940 1 0 DJAFRN Clc1nc(-c2ccccc2)nc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000072108888 191037615 /nfs/dbraw/zinc/03/76/15/191037615.db2.gz IBOMBGXXGIXCKQ-IACUBPJLSA-N 0 0 324.815 4.508 1 0 DJAFRN COc1ccc2c(cccc2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000084635178 192448569 /nfs/dbraw/zinc/44/85/69/192448569.db2.gz JNZPMSNDSAQTFR-UHFFFAOYSA-N 0 0 324.376 4.541 1 0 DJAFRN CCCCc1ccc(-c2nc(C)c(C(=O)SC)s2)cc1 ZINC000072170616 191068144 /nfs/dbraw/zinc/06/81/44/191068144.db2.gz CJIHTKMJDYCASD-UHFFFAOYSA-N 0 0 305.468 4.964 1 0 DJAFRN COc1cc(/C=C/C(C)=C/C(C)=C\c2ccccc2)oc(=O)c1 ZINC000072179107 191071227 /nfs/dbraw/zinc/07/12/27/191071227.db2.gz NLLRTVRDMOKHDF-CUEQUERMSA-N 0 0 308.377 4.711 1 0 in-vitro DJAFRN CCc1nc(C)cn1Cc1coc(-c2cccc3ccccc32)n1 ZINC000072181075 191071614 /nfs/dbraw/zinc/07/16/14/191071614.db2.gz FNLNVVGTQHRYQW-UHFFFAOYSA-N 0 0 317.392 4.610 1 0 DJAFRN CCCCCCNc1nc(SC(C)C)nc2ncccc21 ZINC000072181138 191072411 /nfs/dbraw/zinc/07/24/11/191072411.db2.gz UFNKRQICFISQTL-UHFFFAOYSA-N 0 0 304.463 4.518 1 0 DJAFRN CCCCCCNc1nc(SCCCC)nc2ncccc21 ZINC000072181027 191072713 /nfs/dbraw/zinc/07/27/13/191072713.db2.gz WFHGGPXMVUMWQF-UHFFFAOYSA-N 0 0 318.490 4.909 1 0 DJAFRN CC(C)(C)C[NH2+]Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072186406 191073690 /nfs/dbraw/zinc/07/36/90/191073690.db2.gz NGRZZOSYJUKQAS-UHFFFAOYSA-N 0 0 300.446 4.775 1 0 DJAFRN Cc1csc2cc(C(=O)Nc3cccc(Cl)c3)cnc12 ZINC000072322933 191121889 /nfs/dbraw/zinc/12/18/89/191121889.db2.gz KCHIENZEEFVNJW-UHFFFAOYSA-N 0 0 302.786 4.510 2 0 DJAFRN Cc1csc2cc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)cnc12 ZINC000072322889 191122127 /nfs/dbraw/zinc/12/21/27/191122127.db2.gz CHIQPRVAWAJMSW-FZMZJTMJSA-N 0 0 316.470 4.549 2 0 DJAFRN CC(C)c1ccc2c(c1O)CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C ZINC000013302197 290937118 /nfs/dbraw/zinc/93/71/18/290937118.db2.gz WENIWZBFJBCNNG-UZLBHIALSA-N 0 0 300.442 4.725 1 0 biogenic,in-vitro DJAFRN CNc1ccccc1C(C)(C)c1cc(-c2cccc(OC)c2)no1 ZINC000003218537 180993017 /nfs/dbraw/zinc/99/30/17/180993017.db2.gz VZFAJIKCBHJIEG-UHFFFAOYSA-N 0 0 322.408 4.718 3 0 DJAFRN Cc1[nH]c2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1C ZINC000003815296 181046887 /nfs/dbraw/zinc/04/68/87/181046887.db2.gz MQEHEANDFNFOSY-UHFFFAOYSA-N 0 0 307.184 4.625 1 0 DJAFRN Cc1cccc(CNc2ncnc3ccc(-c4ccoc4)cc32)c1 ZINC000004268474 181089823 /nfs/dbraw/zinc/08/98/23/181089823.db2.gz DBTWZLIQIQEKBB-UHFFFAOYSA-N 0 0 315.376 4.810 3 0 DJAFRN Fc1ccc(Nc2nc(-c3ccoc3)nc3ccccc32)cc1 ZINC000004265631 181090199 /nfs/dbraw/zinc/09/01/99/181090199.db2.gz DNALVIRHKSVJHJ-UHFFFAOYSA-N 0 0 305.312 4.773 1 0 DJAFRN Cc1ccc(CSCCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000004688276 181137237 /nfs/dbraw/zinc/13/72/37/181137237.db2.gz IWKLJLOGQGOHSF-BQFCYCMXSA-N 0 0 319.514 4.559 1 0 DJAFRN O=C(c1coc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1 ZINC000073351254 191308367 /nfs/dbraw/zinc/30/83/67/191308367.db2.gz XXKUOUAAFYMOTQ-UHFFFAOYSA-N 0 0 316.445 4.660 1 0 DJAFRN C/C(=C\CO)CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000004731147 181143968 /nfs/dbraw/zinc/14/39/68/181143968.db2.gz LEOHDQKUMQKLMP-HHQLMWAKSA-N 0 0 308.506 4.699 1 0 DJAFRN Cc1nc2ccccc2c2oc(C(=O)N[C@@H]3CCCC[C@H]3C)cc21 ZINC000004902719 181170745 /nfs/dbraw/zinc/17/07/45/181170745.db2.gz DPTGIFFEZWRUOM-MLGOLLRUSA-N 0 0 322.408 4.598 1 0 DJAFRN Cc1cc(-c2ccccc2)c2ccc(NC(=O)C(C)(C)C)nc2n1 ZINC000004931761 181174500 /nfs/dbraw/zinc/17/45/00/181174500.db2.gz DQYLHBBKUQJOLQ-UHFFFAOYSA-N 0 0 319.408 4.590 3 0 DJAFRN C/C(=C/CO)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000005369227 181235363 /nfs/dbraw/zinc/23/53/63/181235363.db2.gz LEOHDQKUMQKLMP-UPDAGZRNSA-N 0 0 308.506 4.699 1 0 DJAFRN COc1ccc(C2=Nc3ccccc3S[C@H](C)C2)cc1OC ZINC000005722969 181277329 /nfs/dbraw/zinc/27/73/29/181277329.db2.gz VPZLURDTWPWZGJ-GFCCVEGCSA-N 0 0 313.422 4.709 1 0 DJAFRN C=C/C(C)=C\C[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000005830721 181287730 /nfs/dbraw/zinc/28/77/30/181287730.db2.gz DJOZXNLJMQJGFO-NWGMOTECSA-N 0 0 304.474 4.681 1 0 DJAFRN COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1 ZINC000006482602 181344197 /nfs/dbraw/zinc/34/41/97/181344197.db2.gz KTNJDRXZRDQUKW-UHFFFAOYSA-N 0 0 317.797 4.759 1 0 DJAFRN O=C(CC(Cl)(Cl)C(Cl)(Cl)Cl)c1ccccc1 ZINC000006578520 181356199 /nfs/dbraw/zinc/35/61/99/181356199.db2.gz FJBSUHGAHUQDTQ-UHFFFAOYSA-N 0 0 320.430 4.804 1 0 DJAFRN CCCCCNc1nc2ccccc2n1CCc1ccccc1 ZINC000013539112 181860107 /nfs/dbraw/zinc/86/01/07/181860107.db2.gz ODIUYXBKYJMFSR-UHFFFAOYSA-N 0 0 307.441 4.881 1 0 DJAFRN CC(C)c1cccc(C(C)C)c1-n1sc2ncccc2c1=O ZINC000013738537 181886535 /nfs/dbraw/zinc/88/65/35/181886535.db2.gz POFKYHKGBXJQGG-UHFFFAOYSA-N 0 0 312.438 4.694 1 0 DJAFRN CC[C@H]1CCCCN1c1nc(C)nc2cc(-c3ccccc3)[nH]c21 ZINC000100867659 193805222 /nfs/dbraw/zinc/80/52/22/193805222.db2.gz XVPHXXUIVDUAMH-INIZCTEOSA-N 0 0 320.440 4.654 1 0 DJAFRN COc1ccc([C@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000038538133 183001756 /nfs/dbraw/zinc/00/17/56/183001756.db2.gz CLWPGAGULOCRHB-CMQXMCPJSA-N 0 0 300.442 4.986 1 0 DJAFRN CSCc1cc(OC23CC4CC(CC(C4)C2)C3)cc(C)c1N ZINC000039239919 183015509 /nfs/dbraw/zinc/01/55/09/183015509.db2.gz RGZBRTXJKDMHMX-UHFFFAOYSA-N 0 0 317.498 4.788 1 0 DJAFRN CC(=O)Oc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000040393841 183060957 /nfs/dbraw/zinc/06/09/57/183060957.db2.gz SHPDJRVURUILFF-UHFFFAOYSA-N 0 0 303.317 4.573 1 0 DJAFRN Clc1ccc(C[C@H](Cc2ccccc2)n2ccnc2)s1 ZINC000040404040 183062523 /nfs/dbraw/zinc/06/25/23/183062523.db2.gz OZSAQRPUZCLBDH-AWEZNQCLSA-N 0 0 302.830 4.625 1 0 DJAFRN Cc1cccc(NC(=O)c2cccc(/C=C/c3ccccc3)c2)n1 ZINC000040563913 183102972 /nfs/dbraw/zinc/10/29/72/183102972.db2.gz ZRZFHIFLYWBCKZ-BUHFOSPRSA-N 0 0 314.388 4.813 1 0 DJAFRN CC[C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)n1ccnc1 ZINC000040834106 183140127 /nfs/dbraw/zinc/14/01/27/183140127.db2.gz LLDXHQGRHXLQFN-HXUWFJFHSA-N 0 0 305.425 4.616 1 0 DJAFRN Cc1ccc([C@H]2OC(=O)[C@@H]3C=C4[C@](C)(CCCC4(C)C)[C@@H]32)cc1 ZINC000040848817 183140965 /nfs/dbraw/zinc/14/09/65/183140965.db2.gz WBPDRDVNSJZEKX-HVSHLEFESA-N 0 0 310.437 4.982 1 0 DJAFRN CC[C@]1(c2cccc(Cl)c2)ON=C(c2ccc(Cl)cc2)O1 ZINC000040846707 183141412 /nfs/dbraw/zinc/14/14/12/183141412.db2.gz MJQPAJPIOPWKSS-MRXNPFEDSA-N 0 0 322.191 4.965 1 0 DJAFRN C[C@@H]1CC[C@@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000040940215 183150085 /nfs/dbraw/zinc/15/00/85/183150085.db2.gz YQRXYOHAFOQXMN-XCLNPWKQSA-N 0 0 302.458 4.983 1 0 DJAFRN Cc1ccccc1C(=O)N(C)[C@H](C)c1cccc2ccccc21 ZINC000043059603 183332905 /nfs/dbraw/zinc/33/29/05/183332905.db2.gz UENPHAHEZPFPCU-MRXNPFEDSA-N 0 0 303.405 4.981 1 0 DJAFRN O=C1Nc2ccc(Cl)cc2CN1CCc1ccc(Cl)cc1 ZINC000045369566 183502179 /nfs/dbraw/zinc/50/21/79/183502179.db2.gz WOXNYOAVYDSIJA-UHFFFAOYSA-N 0 0 321.207 4.584 1 0 DJAFRN Fc1ccccc1[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c32 ZINC000045384314 183503413 /nfs/dbraw/zinc/50/34/13/183503413.db2.gz QADMAQZOUQCOPE-LJQANCHMSA-N 0 0 315.351 4.884 1 0 DJAFRN CC1=C(c2ccccc2)N2C(=N[C@H]3c4ccccc4CC[C@H]32)S1 ZINC000049589858 183744779 /nfs/dbraw/zinc/74/47/79/183744779.db2.gz YPRUIGBGUYVZBV-MSOLQXFVSA-N 0 0 318.445 4.850 1 0 DJAFRN CC1=C(c2ccccc2)N2C(=N[C@H]3c4ccccc4CC[C@@H]32)S1 ZINC000049589860 183744793 /nfs/dbraw/zinc/74/47/93/183744793.db2.gz YPRUIGBGUYVZBV-ROUUACIJSA-N 0 0 318.445 4.850 1 0 DJAFRN Cn1c2ccccc2c2c1ccc1c2OCN(c2ccccc2)C1 ZINC000049807906 183760008 /nfs/dbraw/zinc/76/00/08/183760008.db2.gz GTBFJAOUCRAHMB-UHFFFAOYSA-N 0 0 314.388 4.688 1 0 DJAFRN Cc1cc(Br)c2oc(=O)c(-c3ccccc3)cc2c1 ZINC000058583616 184123244 /nfs/dbraw/zinc/12/32/44/184123244.db2.gz TYLXEMSZGAPZTD-UHFFFAOYSA-N 0 0 315.166 4.531 1 0 in-vivo DJAFRN Cc1ccccc1-c1c[nH]c([C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000061897279 184193477 /nfs/dbraw/zinc/19/34/77/184193477.db2.gz ZOWSEVMKSXKFFQ-LJQANCHMSA-N 0 0 320.436 4.764 3 0 DJAFRN Cc1ccccc1-c1csc([C@@H](O)c2cccc(Cl)c2)n1 ZINC000061903038 184193649 /nfs/dbraw/zinc/19/36/49/184193649.db2.gz MCVQSANOVQNTKW-INIZCTEOSA-N 0 0 315.825 4.854 3 0 DJAFRN CC(C)NC(=O)c1ccc(-c2ccc(F)c(F)c2)c2ccoc21 ZINC000061903980 184194010 /nfs/dbraw/zinc/19/40/10/184194010.db2.gz MTDXNGWQUUDXHZ-UHFFFAOYSA-N 0 0 315.319 4.516 3 0 DJAFRN O=C(OCc1ccccc1)N1CCC[C@H]2C[C@@H]1c1ccccc12 ZINC000061924082 184195604 /nfs/dbraw/zinc/19/56/04/184195604.db2.gz VPBKVQPABQCABK-QFBILLFUSA-N 0 0 307.393 4.648 1 0 DJAFRN O[C@]1(C(F)(F)F)CCCc2c3c(ccc(Cl)c3Cl)[nH]c21 ZINC000064549999 184299708 /nfs/dbraw/zinc/29/97/08/184299708.db2.gz BFVQEOVSAUKIEG-GFCCVEGCSA-N 0 0 324.129 4.561 1 0 DJAFRN CCOc1c(-c2occ(C)c2CO)ccc2c(CC)cccc21 ZINC000066103433 184389599 /nfs/dbraw/zinc/38/95/99/184389599.db2.gz VJBSROKICJKISR-UHFFFAOYSA-N 0 0 310.393 4.862 1 0 DJAFRN CC(C)(C)c1ccc(NC(=O)Nc2ccc3n[nH]cc3c2)s1 ZINC000066263049 184399924 /nfs/dbraw/zinc/39/99/24/184399924.db2.gz VCMFTYZQQOPGHM-UHFFFAOYSA-N 0 0 314.414 4.566 1 0 DJAFRN CC(C)=CCc1c2c(ccc1O)[C@@H]1COc3ccccc3[C@H]1O2 ZINC000095486080 560061717 /nfs/dbraw/zinc/06/17/17/560061717.db2.gz PMXAHMLLXXVQJW-OXJNMPFZSA-N 0 0 308.377 4.511 1 0 biogenic,in-vitro DJAFRN COc1cc2c(cc1O)[nH]c1c2cc(C)c2c1C=CC(C)(C)O2 ZINC000015257207 571737997 /nfs/dbraw/zinc/73/79/97/571737997.db2.gz CZZZOTXCAIDYOZ-UHFFFAOYSA-N 0 0 309.365 4.528 1 0 endogenous,in-man DJAFRN Oc1ccc(-c2oc3ccccc3c2-c2cc(O)cc(O)c2)cc1 ZINC000095553619 185379358 /nfs/dbraw/zinc/37/93/58/185379358.db2.gz BOHWOYCBAXPKBF-UHFFFAOYSA-N 0 0 318.328 4.884 1 0 DJAFRN COc1cccc(-c2csc(-c3cccc(OC)c3F)n2)c1 ZINC000095560690 185380035 /nfs/dbraw/zinc/38/00/35/185380035.db2.gz MZJMQUWBYHIUSU-UHFFFAOYSA-N 0 0 315.369 4.633 1 0 DJAFRN CCCc1c(-c2ccccc2F)ncn1Cc1ccccc1OC ZINC000095565997 185380221 /nfs/dbraw/zinc/38/02/21/185380221.db2.gz CROMSZOSXBQGEA-UHFFFAOYSA-N 0 0 324.399 4.699 3 0 DJAFRN Fc1ccc(C2=NO[C@H]3CCCCC[C@H]23)c(C(F)(F)F)c1 ZINC000095579575 185380726 /nfs/dbraw/zinc/38/07/26/185380726.db2.gz QPYQMDMYSOQRFO-AAEUAGOBSA-N 0 0 301.283 4.528 1 0 DJAFRN Cc1csc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1 ZINC000095583411 185381142 /nfs/dbraw/zinc/38/11/42/185381142.db2.gz IJGWEVGJJBQARB-SFHVURJKSA-N 0 0 320.417 4.828 1 0 DJAFRN CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000095585989 185381662 /nfs/dbraw/zinc/38/16/62/185381662.db2.gz ZLQWPOMATSXNAY-UHFFFAOYSA-N 0 0 309.453 4.527 1 0 DJAFRN 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/nfs/dbraw/zinc/74/58/24/197745824.db2.gz ZZDXRSKJVYHRCE-UFUHNIBOSA-N 0 0 300.442 4.667 1 0 DJAFRN C/C1=C\C=C(\C(C)(C)O)[C@@H](O)C/C(C)=C\CC/C(C)=C\CC1 ZINC000169369628 197745945 /nfs/dbraw/zinc/74/59/45/197745945.db2.gz SAZDJCIBQKXMSM-DRMMPUCSSA-N 0 0 304.474 4.848 1 0 DJAFRN c1csc(C2=N[C@H](c3ccccc3)C(c3ccccc3)=N2)c1 ZINC000102865475 185423953 /nfs/dbraw/zinc/42/39/53/185423953.db2.gz VHNLAHFJLHXUFA-QGZVFWFLSA-N 0 0 302.402 4.739 1 0 DJAFRN COC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 ZINC000029247019 190655612 /nfs/dbraw/zinc/65/56/12/190655612.db2.gz GNKRZLQCCNOJGN-UHFFFAOYSA-N 0 0 316.744 4.635 1 0 DJAFRN Cc1ccc(C2C=C3N=NC(=O)C3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000103182712 185437182 /nfs/dbraw/zinc/43/71/82/185437182.db2.gz RRDDWFQJMNWVQI-GOSISDBHSA-N 0 0 316.404 4.808 1 0 DJAFRN CC(C)Oc1c(=O)c2ccc3occc3c2oc1-c1ccccc1 ZINC000103201546 185438274 /nfs/dbraw/zinc/43/82/74/185438274.db2.gz YTTYOAYKVAJIBU-UHFFFAOYSA-N 0 0 320.344 4.993 1 0 DJAFRN Cc1ccc(NCn2nc(-c3ccccc3)oc2=S)cc1C ZINC000103228939 185439599 /nfs/dbraw/zinc/43/95/99/185439599.db2.gz XOOFXXRLEAKQMZ-UHFFFAOYSA-N 0 0 311.410 4.559 1 0 DJAFRN CCCCc1ccc2nc(NC(=O)c3ccsc3)sc2c1 ZINC000072120058 191040391 /nfs/dbraw/zinc/04/03/91/191040391.db2.gz ZGEIRFTZEBUQET-UHFFFAOYSA-N 0 0 316.451 4.953 1 0 DJAFRN Cc1cc(C)c(CSc2ccc(-c3ccccn3)nn2)c(C)c1 ZINC000072124556 191041190 /nfs/dbraw/zinc/04/11/90/191041190.db2.gz XWCDXKATHZTOQA-UHFFFAOYSA-N 0 0 321.449 4.756 1 0 DJAFRN c1ccc(-c2ccc(S[C@H]3CCCc4ccccc43)nn2)nc1 ZINC000072141126 191049620 /nfs/dbraw/zinc/04/96/20/191049620.db2.gz BVNWEMBLNBBWQD-SFHVURJKSA-N 0 0 319.433 4.708 1 0 DJAFRN CC1(C)C=Cc2cc([C@@H](c3ccccc3)n3ccnc3)ccc2O1 ZINC000072182021 191072551 /nfs/dbraw/zinc/07/25/51/191072551.db2.gz PXDKEPHVEHJENL-HXUWFJFHSA-N 0 0 316.404 4.705 1 0 DJAFRN CC1(C)C=Cc2cc([C@H](c3ccccc3)n3ccnc3)ccc2O1 ZINC000072182022 191072802 /nfs/dbraw/zinc/07/28/02/191072802.db2.gz PXDKEPHVEHJENL-FQEVSTJZSA-N 0 0 316.404 4.705 1 0 DJAFRN Clc1ccccc1-c1nc(CN[C@H]2CCc3ccccc32)co1 ZINC000072186247 191073632 /nfs/dbraw/zinc/07/36/32/191073632.db2.gz GSICPKOEXUVESE-SFHVURJKSA-N 0 0 324.811 4.772 1 0 DJAFRN COc1cc(OC)c(/C=C/c2ccc(SC)cc2)c(OC)c1 ZINC000084706335 192459650 /nfs/dbraw/zinc/45/96/50/192459650.db2.gz DJYDKBJJZKBFLB-JXMROGBWSA-N 0 0 316.422 4.605 1 0 DJAFRN Cc1csc2cc(C(=O)Nc3ccc(Cl)cc3)cnc12 ZINC000072323028 191121548 /nfs/dbraw/zinc/12/15/48/191121548.db2.gz VQXOIMFVUCYDFE-UHFFFAOYSA-N 0 0 302.786 4.510 2 0 DJAFRN C/C=C(\C)[C@@H](O)C[C@H]1[C@H](CO)CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000095910648 290934775 /nfs/dbraw/zinc/93/47/75/290934775.db2.gz OKCHLBXRLARFOT-FEAOFKKCSA-N 0 0 308.506 4.555 1 0 biogenic,in-vitro DJAFRN C/C=C(/C)C(=O)O[C@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)C1 ZINC000033831286 290934776 /nfs/dbraw/zinc/93/47/76/290934776.db2.gz DDJITDJHDCLHOK-VAHIDXFOSA-N 0 0 316.441 4.617 1 0 biogenic,in-vitro DJAFRN CO[C@@]1(CO)C[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3 ZINC000085529987 290937964 /nfs/dbraw/zinc/93/79/64/290937964.db2.gz HVFKLKUNMUJCRB-SCXSLKHRSA-N 0 0 320.517 4.797 1 0 biogenic,in-vitro DJAFRN CC(C)(C)c1cc(C(=O)c2cccs2)cc2c1OCC2(C)C ZINC000000022599 180670666 /nfs/dbraw/zinc/67/06/66/180670666.db2.gz XLDKMNHAXYWQCC-UHFFFAOYSA-N 0 0 314.450 4.947 1 0 DJAFRN CCc1nc2ccc(C)cc2c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000000920346 180837083 /nfs/dbraw/zinc/83/70/83/180837083.db2.gz CDOYQXQJVXWBCL-KBXCAEBGSA-N 0 0 324.468 4.723 3 0 DJAFRN CCCCC[C@H](O)CC(=O)CCc1cc(C(C)C)c(O)cc1C ZINC000073197513 191291323 /nfs/dbraw/zinc/29/13/23/191291323.db2.gz XTEBBAYOONBWNV-KRWDZBQOSA-N 0 0 320.473 4.657 1 0 DJAFRN C[C@H]1C[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)O1 ZINC000004213684 181085343 /nfs/dbraw/zinc/08/53/43/181085343.db2.gz QSAFSJAOPPHPTK-JCURWCKSSA-N 0 0 300.785 4.543 1 0 in-man DJAFRN Brc1ccc2c3[nH]c(-c4ccccc4)nc3cnc2c1 ZINC000073224548 191296081 /nfs/dbraw/zinc/29/60/81/191296081.db2.gz WDFXGKFSVULCRK-UHFFFAOYSA-N 0 0 324.181 4.541 1 0 DJAFRN c1csc(CNc2ncnc3ccc(-c4ccoc4)cc32)c1 ZINC000004266448 181089798 /nfs/dbraw/zinc/08/97/98/181089798.db2.gz JQTNPGCWKXTRTO-UHFFFAOYSA-N 0 0 307.378 4.563 3 0 DJAFRN Cc1nc2ccccc2c2oc(C(=O)N[C@H]3CCCC[C@H]3C)cc21 ZINC000004902728 181170906 /nfs/dbraw/zinc/17/09/06/181170906.db2.gz DPTGIFFEZWRUOM-WBMJQRKESA-N 0 0 322.408 4.598 1 0 DJAFRN CC(=O)Nc1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000005160699 181211944 /nfs/dbraw/zinc/21/19/44/181211944.db2.gz HLFGRHJJMJEVAD-NSCUHMNNSA-N 0 0 316.198 4.578 1 0 DJAFRN C[C@]1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O ZINC000005551745 181255837 /nfs/dbraw/zinc/25/58/37/181255837.db2.gz SSDOAOBSEPIANH-LJQANCHMSA-N 0 0 305.402 4.681 1 0 DJAFRN O=C1/C(=C\c2ccccc2)c2ccccc2N1Cc1ccccc1 ZINC000005766075 181282238 /nfs/dbraw/zinc/28/22/38/181282238.db2.gz HUWZZKFTIUIIDS-HKWRFOASSA-N 0 0 311.384 4.774 1 0 DJAFRN C=C/C(C)=C\C[C@@H]1[C@](C)(O)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000005830724 181287540 /nfs/dbraw/zinc/28/75/40/181287540.db2.gz DJOZXNLJMQJGFO-JCHIYPGTSA-N 0 0 304.474 4.681 1 0 DJAFRN COC(=O)/C=C\c1ccc(OC/C=C(\C)CCC=C(C)C)cc1 ZINC000095592106 193446451 /nfs/dbraw/zinc/44/64/51/193446451.db2.gz KSSYIBXTLHIBBX-ICMDQPEBSA-N 0 0 314.425 4.944 1 0 DJAFRN COc1cc(/C=C\C(C)=C\C(C)=C\c2ccccc2)oc(=O)c1 ZINC000013373452 181847500 /nfs/dbraw/zinc/84/75/00/181847500.db2.gz NLLRTVRDMOKHDF-BKSOJIHSSA-N 0 0 308.377 4.711 1 0 in-vitro DJAFRN CSc1sc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2 ZINC000013472684 181853663 /nfs/dbraw/zinc/85/36/63/181853663.db2.gz ZZTJJGWSKYVZIG-UHFFFAOYSA-N 0 0 303.452 4.687 1 0 DJAFRN COc1ccc2c(c1)OCc1c-2ccc2c1C(C)=CC(C)(C)N2 ZINC000013490448 181855424 /nfs/dbraw/zinc/85/54/24/181855424.db2.gz AFIHLGIDZOZFPH-UHFFFAOYSA-N 0 0 307.393 4.862 1 0 DJAFRN Nc1sc2ccccc2c1C(=O)c1cccc2ccccc21 ZINC000013493376 181856199 /nfs/dbraw/zinc/85/61/99/181856199.db2.gz QHNCOVLHDMVPLB-UHFFFAOYSA-N 0 0 303.386 4.868 1 0 DJAFRN COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000013587531 181865894 /nfs/dbraw/zinc/86/58/94/181865894.db2.gz APLGQRPVXWWNAW-UHFFFAOYSA-N 0 0 313.441 4.549 1 0 DJAFRN CC1(C)[C@H](c2cnc(N)s2)[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000013588449 181866380 /nfs/dbraw/zinc/86/63/80/181866380.db2.gz MKPFBKRAJGAZGU-VXGBXAGGSA-N 0 0 313.253 4.939 1 0 DJAFRN COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1C2 ZINC000013809559 181900182 /nfs/dbraw/zinc/90/01/82/181900182.db2.gz WOUIJACXIRZSFY-KOLCDFICSA-N 0 0 311.208 4.740 1 0 DJAFRN Cc1cn(C(=O)c2cccc(C)c2)c(=S)n1-c1ccccc1C ZINC000098083787 193783671 /nfs/dbraw/zinc/78/36/71/193783671.db2.gz LQPFYOKLKALXGI-UHFFFAOYSA-N 0 0 322.433 4.622 1 0 DJAFRN CC(=O)[C@H]1CC[C@@H]2/C(=C/C=C3CCC(=O)CC3)CCC[C@]12C ZINC000026637161 182448402 /nfs/dbraw/zinc/44/84/02/182448402.db2.gz PAPBVNBJQZGVOA-ALEBNMIDSA-N 0 0 300.442 4.788 1 0 DJAFRN CCc1ncnc(N[C@@H](C)c2ccc3c(c2)CCCC3)c1Cl ZINC000028887578 182544521 /nfs/dbraw/zinc/54/45/21/182544521.db2.gz FXHWVGRVVIRONF-LBPRGKRZSA-N 0 0 315.848 4.744 1 0 DJAFRN CCCc1c(C/C=C(\C)C/C=C/C(C)C)[nH]c(=O)c(C)c1OC ZINC000029131181 182553499 /nfs/dbraw/zinc/55/34/99/182553499.db2.gz CXEJJNIHIKGTCH-VBONDNGNSA-N 0 0 317.473 4.736 1 0 DJAFRN O=C1Nc2ccc(Cl)cc2C1(c1ccccc1)c1ccccc1 ZINC000029547973 182569896 /nfs/dbraw/zinc/56/98/96/182569896.db2.gz VQHXBFBHQYVDIB-UHFFFAOYSA-N 0 0 319.791 4.627 1 0 DJAFRN CCCC(=O)Nc1n[nH]c2cc(-c3ccccc3Cl)ccc21 ZINC000038691032 183006258 /nfs/dbraw/zinc/00/62/58/183006258.db2.gz WPJGFQOEGTUKTE-UHFFFAOYSA-N 0 0 313.788 4.622 1 0 in-vivo DJAFRN CSc1ccccc1Nc1cc(C)nc2ccc3[nH]cnc3c21 ZINC000039214853 183014749 /nfs/dbraw/zinc/01/47/49/183014749.db2.gz MRKVCVGZXQONGL-UHFFFAOYSA-N 0 0 320.421 4.885 1 0 DJAFRN Clc1ccc([C@@H](CCn2ccnc2)Oc2ccccc2)cc1 ZINC000040848060 183141141 /nfs/dbraw/zinc/14/11/41/183141141.db2.gz CTRZCHIMRCQCPV-GOSISDBHSA-N 0 0 312.800 4.747 1 0 DJAFRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)Oc1cccc(-c2ccccc2)c1 ZINC000040939443 183149825 /nfs/dbraw/zinc/14/98/25/183149825.db2.gz GZARBEQLLMRGFG-YJLNNSPDSA-N 0 0 307.393 4.631 1 0 DJAFRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)Oc1cccc(-c2ccccc2)c1 ZINC000040939441 183149853 /nfs/dbraw/zinc/14/98/53/183149853.db2.gz GZARBEQLLMRGFG-POZUXBRTSA-N 0 0 307.393 4.631 1 0 DJAFRN Cc1cccc([C@@H]2C[C@H](O)Cc3ccc4ccccc4c3N2)c1 ZINC000040981251 183154245 /nfs/dbraw/zinc/15/42/45/183154245.db2.gz KHKAJXFSTDXXPP-QUCCMNQESA-N 0 0 303.405 4.609 1 0 DJAFRN FC(F)(F)c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)cc1 ZINC000040861465 183144367 /nfs/dbraw/zinc/14/43/67/183144367.db2.gz COFDNGLFIOANBW-CJNGLKHVSA-N 0 0 324.346 4.540 1 0 DJAFRN CC(C)=CCc1c2oc(-c3cc(O)cc(O)c3)cc2ccc1O ZINC000040867124 183144597 /nfs/dbraw/zinc/14/45/97/183144597.db2.gz PMSZSXKBGUQXFG-UHFFFAOYSA-N 0 0 310.349 4.725 1 0 DJAFRN COc1ccc([C@H](Sc2ccccc2)c2cccnc2)cc1 ZINC000043016973 183328414 /nfs/dbraw/zinc/32/84/14/183328414.db2.gz YPZVNIWZTCHCDE-IBGZPJMESA-N 0 0 307.418 4.972 1 0 DJAFRN CC[C@@H](c1ccc(-c2ccc(OC)c(OC)c2)cc1)n1ccnc1 ZINC000043018794 183329052 /nfs/dbraw/zinc/32/90/52/183329052.db2.gz GRYDDWYRANTAMJ-SFHVURJKSA-N 0 0 322.408 4.567 1 0 DJAFRN COc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1 ZINC000042828076 183313077 /nfs/dbraw/zinc/31/30/77/183313077.db2.gz TZMZLHMMOYSUMI-UHFFFAOYSA-N 0 0 300.361 4.677 1 0 DJAFRN CC(C)(C)c1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000103277920 193927029 /nfs/dbraw/zinc/92/70/29/193927029.db2.gz BSLYZWPZAJLGFG-MRXNPFEDSA-N 0 0 315.363 4.780 1 0 DJAFRN CC(C)(C)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1 ZINC000049807907 183760220 /nfs/dbraw/zinc/76/02/20/183760220.db2.gz YXQVTNNOZFLZBQ-SAPNQHFASA-N 0 0 320.436 4.925 1 0 DJAFRN C/C=C/[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000058504805 184121142 /nfs/dbraw/zinc/12/11/42/184121142.db2.gz DWUONMBGEYIMER-AKOJZUFQSA-N 0 0 312.453 4.556 1 0 DJAFRN CCC[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O ZINC000058587166 184124194 /nfs/dbraw/zinc/12/41/94/184124194.db2.gz PAGQSDHGDOCJEH-XCRSBDITSA-N 0 0 314.469 4.635 1 0 DJAFRN Cc1cc(/C=C2/C(=O)Nc3ccc(F)cc32)c2cccccc1-2 ZINC000059260970 184135606 /nfs/dbraw/zinc/13/56/06/184135606.db2.gz QJSLBNHQZCNYHL-VCHYOVAHSA-N 0 0 303.336 4.732 1 0 DJAFRN C[C@@]1(Cc2ccc(F)cc2)C(=O)Nc2c1c(Cl)ccc2Cl ZINC000061903204 184193525 /nfs/dbraw/zinc/19/35/25/184193525.db2.gz NHOQLFLLTNJHKA-INIZCTEOSA-N 0 0 324.182 4.585 3 0 DJAFRN CC(C)(C)c1ccc([C@@H](O)c2nc(-c3ccccc3F)c[nH]2)cc1 ZINC000061904747 184193960 /nfs/dbraw/zinc/19/39/60/184193960.db2.gz OEQYVFOXDDMADI-GOSISDBHSA-N 0 0 324.399 4.595 3 0 DJAFRN CC(C)c1cccc(-c2csc([C@@](C)(O)c3ccncc3)n2)c1 ZINC000061906536 184194075 /nfs/dbraw/zinc/19/40/75/184194075.db2.gz GGUMBQSDPHQAQV-IBGZPJMESA-N 0 0 324.449 4.584 3 0 DJAFRN CC(C)(C)c1ccc([C@H](O)c2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000061908837 184194639 /nfs/dbraw/zinc/19/46/39/184194639.db2.gz GEDTWPWRMABMRM-SFHVURJKSA-N 0 0 324.399 4.595 3 0 DJAFRN Cc1ccc2ccccc2c1[C@@H](O)c1nc(-c2ccccc2)c[nH]1 ZINC000061895904 184192960 /nfs/dbraw/zinc/19/29/60/184192960.db2.gz UXEUZHORDAEVSE-HXUWFJFHSA-N 0 0 314.388 4.620 3 0 DJAFRN CC1=N[C@H](C)Cc2c(-c3ccc4ccccc4c3)ccc(O)c21 ZINC000064454460 184297631 /nfs/dbraw/zinc/29/76/31/184297631.db2.gz GVLGNVUQNHMAGA-CYBMUJFWSA-N 0 0 301.389 4.966 1 0 DJAFRN CSc1nc(-c2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000064475092 184298093 /nfs/dbraw/zinc/29/80/93/184298093.db2.gz MPXOCRMSDIQQSP-UHFFFAOYSA-N 0 0 300.814 4.981 1 0 DJAFRN Cc1[nH]c2cc(Cl)cc(Cl)c2c(=O)c1-c1ccccc1 ZINC000064540539 184299366 /nfs/dbraw/zinc/29/93/66/184299366.db2.gz OFXCTGIWCYLICF-UHFFFAOYSA-N 0 0 304.176 4.810 1 0 DJAFRN O=C1Nc2ccc(F)cc2/C1=C/c1cc(F)c2cccccc1-2 ZINC000064549371 184299503 /nfs/dbraw/zinc/29/95/03/184299503.db2.gz UAPISUASGFYDRE-PXNMLYILSA-N 0 0 307.299 4.562 1 0 DJAFRN Cc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1-c1ccccc1 ZINC000064549235 184299794 /nfs/dbraw/zinc/29/97/94/184299794.db2.gz UUGJIMBMEKFWQY-UHFFFAOYSA-N 0 0 304.176 4.810 1 0 DJAFRN O=C(c1cc2cc(O)ccc2[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000066074282 184386838 /nfs/dbraw/zinc/38/68/38/184386838.db2.gz KPWPUFSWDCMWPZ-UHFFFAOYSA-N 0 0 313.356 4.772 1 0 DJAFRN CC(C)c1ccc2c(c1)CC[C@@]1(C)[C@](C)(C(N)=O)CCC[C@]21C ZINC000066098608 184388917 /nfs/dbraw/zinc/38/89/17/184388917.db2.gz SIXVQHIRXMPXGZ-QHAWAJNXSA-N 0 0 313.485 4.696 1 0 DJAFRN CSc1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1 ZINC000066260052 184399274 /nfs/dbraw/zinc/39/92/74/184399274.db2.gz PUKKVPIASROPEL-UHFFFAOYSA-N 0 0 317.801 4.856 1 0 DJAFRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]43)[C@@H]1CC[C@@]21CCCO1 ZINC000017375697 581091141 /nfs/dbraw/zinc/09/11/41/581091141.db2.gz UVAQHLGVSKJLTI-SQDPYLFBSA-N 0 0 314.469 4.677 1 0 DJAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)[C@H]1C=C2 ZINC000095918820 560054916 /nfs/dbraw/zinc/05/49/16/560054916.db2.gz NVXMKMSYGAERCC-VAMGGRTRSA-N 0 0 300.442 4.599 1 0 biogenic,in-vitro DJAFRN CC(C)=CCc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O ZINC000014610071 560101616 /nfs/dbraw/zinc/10/16/16/560101616.db2.gz WBSCSIABHGPAMC-UHFFFAOYSA-N 0 0 310.349 4.725 1 0 endogenous,in-man DJAFRN