smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@](O)(c1nc(-c2cc3ccccc3o2)cs1)c1cccc(F)c1 ZINC000061929424 214688354 /nfs/dbraw/zinc/68/83/54/214688354.db2.gz TVVBMPVJZYCYKF-IBGZPJMESA-N 0 0 339.391 4.951 3 0 EJAFRN Cc1cccc([C@@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1C ZINC000061902872 214683974 /nfs/dbraw/zinc/68/39/74/214683974.db2.gz LGADMSDCWHGXHO-QGZVFWFLSA-N 0 0 346.352 4.794 3 0 EJAFRN Cc1cc([C@@H](O)c2nc(-c3cccc4ccccc43)c[nH]2)ccc1F ZINC000061908867 214685988 /nfs/dbraw/zinc/68/59/88/214685988.db2.gz HSCGWCKINHZOEH-HXUWFJFHSA-N 0 0 332.378 4.759 3 0 EJAFRN Cc1cccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1C ZINC000061926642 214686514 /nfs/dbraw/zinc/68/65/14/214686514.db2.gz BJYGRUHZHVINQC-QGZVFWFLSA-N 0 0 346.352 4.794 3 0 EJAFRN Cc1cccc(C)c1[C@H]1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100085806 219090776 /nfs/dbraw/zinc/09/07/76/219090776.db2.gz MKVCCKQARVUBPK-MEMLXQNLSA-N 0 0 349.522 4.547 1 0 EJAFRN C[C@H](Sc1nc2c3ccccc3nc-2c(O)n1C)c1ccccc1 ZINC000100705201 219104874 /nfs/dbraw/zinc/10/48/74/219104874.db2.gz YDDOKSFSNRBJEY-LBPRGKRZSA-N 0 0 335.432 4.632 1 0 EJAFRN CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCCC4)CC1 ZINC000101003634 219113998 /nfs/dbraw/zinc/11/39/98/219113998.db2.gz NPOBWKADZAGENT-RHDGDCLCSA-N 0 0 337.463 4.892 1 0 EJAFRN FC(F)(F)c1ccccc1-c1cncnc1NCc1cccs1 ZINC000004266489 210155473 /nfs/dbraw/zinc/15/54/73/210155473.db2.gz PZVDRVFBZBKYHR-UHFFFAOYSA-N 0 0 335.354 4.836 1 0 EJAFRN CCOC(=O)c1cc2c(nc(-c3ccccc3)cc2C(F)(F)F)o1 ZINC000008578349 201753133 /nfs/dbraw/zinc/75/31/33/201753133.db2.gz VXUKSSUTHOSXEP-UHFFFAOYSA-N 0 0 335.281 4.690 3 0 EJAFRN FC(F)(F)c1ccccc1-c1cncnc1NCc1ccccc1 ZINC000004239239 210149989 /nfs/dbraw/zinc/14/99/89/210149989.db2.gz SUOAUECDCKFNFH-UHFFFAOYSA-N 0 0 329.325 4.775 1 0 EJAFRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000101869194 219168946 /nfs/dbraw/zinc/16/89/46/219168946.db2.gz QWTWYRCZPUSJKB-SELCWUDQSA-N 0 0 333.391 4.538 1 0 EJAFRN COc1ccc(C2=NC(C=C3c4ccccc4N=C3C)C(=O)O2)cc1 ZINC000101886458 219169678 /nfs/dbraw/zinc/16/96/78/219169678.db2.gz QLECYKQCKALBFV-LFIBNONCSA-N 0 0 332.359 4.702 1 0 EJAFRN Clc1ccc(Cl)c(CO[C@H]2CCCC[C@@H]2n2ccnc2)c1 ZINC000066074129 215006072 /nfs/dbraw/zinc/00/60/72/215006072.db2.gz UZJXFKKOVXHTAZ-HOTGVXAUSA-N 0 0 325.239 4.890 1 0 EJAFRN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1Cl ZINC000066077723 215006107 /nfs/dbraw/zinc/00/61/07/215006107.db2.gz XGOAAJSDZVVRNG-INIZCTEOSA-N 0 0 333.218 4.691 1 0 EJAFRN Oc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn21 ZINC000066073939 215006805 /nfs/dbraw/zinc/00/68/05/215006805.db2.gz HQMZHKLTRNSAEK-UHFFFAOYSA-N 0 0 335.432 4.522 1 0 EJAFRN O=C(c1cc2ccc(O)cc2[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000066074242 215006999 /nfs/dbraw/zinc/00/69/99/215006999.db2.gz QDCPDRZFCZFGTF-UHFFFAOYSA-N 0 0 329.355 4.897 1 0 EJAFRN O=c1[nH]c2cc(Nc3ccccc3F)ccc2n1CC1CCCCC1 ZINC000003986797 210097027 /nfs/dbraw/zinc/09/70/27/210097027.db2.gz HJPBUDSTYFDXGG-UHFFFAOYSA-N 0 0 339.414 4.793 1 0 EJAFRN CC1(C)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000003814643 210077292 /nfs/dbraw/zinc/07/72/92/210077292.db2.gz VKUCTHVTLJBHDT-UHFFFAOYSA-N 0 0 344.451 4.960 1 0 EJAFRN CSCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000003815740 210076985 /nfs/dbraw/zinc/07/69/85/210076985.db2.gz PLUFSXPPGWXWEZ-UHFFFAOYSA-N 0 0 327.428 4.504 1 0 EJAFRN Cc1cc2cc(N[C@@H](c3ccncc3)[C@H]3CCCCC3=O)ccc2[nH]1 ZINC000066262127 215029586 /nfs/dbraw/zinc/02/95/86/215029586.db2.gz FPPQMKHCLUMQNK-RXVVDRJESA-N 0 0 333.435 4.784 1 0 EJAFRN Cc1onc(-c2ccccc2)c1-c1nc(N[C@H]2CCC[C@@H](C)C2)no1 ZINC000045194305 213714122 /nfs/dbraw/zinc/71/41/22/213714122.db2.gz KFVNHEMIFGDWGF-DOMZBBRYSA-N 0 0 338.411 4.691 1 0 EJAFRN CCOP(=O)(OCC)O[C@H](Nc1ccc(C)cc1)c1ccco1 ZINC000043118534 213561836 /nfs/dbraw/zinc/56/18/36/213561836.db2.gz RQIDUHGOFUPLLB-INIZCTEOSA-N 0 0 339.328 4.896 1 0 EJAFRN CC1(C)CCc2c3c(ccc2O1)oc(-c1ccncc1)c3CCCO ZINC000043070987 213556273 /nfs/dbraw/zinc/55/62/73/213556273.db2.gz HMMRSEKEXYDPKB-UHFFFAOYSA-N 0 0 337.419 4.523 1 0 EJAFRN C[C@@H]1S[C@H](c2c(Cl)cccc2Cl)N(Cc2ccco2)C1=O ZINC000042878306 213539524 /nfs/dbraw/zinc/53/95/24/213539524.db2.gz IASDIJPYOACFTH-BJOHPYRUSA-N 0 0 342.247 4.749 1 0 EJAFRN C[C@H]1S[C@H](c2c(Cl)cccc2Cl)N(Cc2ccco2)C1=O ZINC000042878303 213539251 /nfs/dbraw/zinc/53/92/51/213539251.db2.gz IASDIJPYOACFTH-RFAUZJTJSA-N 0 0 342.247 4.749 1 0 EJAFRN Cn1s/c(=N/c2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000103167970 219265139 /nfs/dbraw/zinc/26/51/39/219265139.db2.gz BHSKGSWVXUSMOW-OBGWFSINSA-N 0 0 336.247 4.688 1 0 EJAFRN CC(C)c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2)n1 ZINC000103182309 219266927 /nfs/dbraw/zinc/26/69/27/219266927.db2.gz HRXHIIXOZOGJSO-UHFFFAOYSA-N 0 0 329.407 4.683 1 0 EJAFRN C[C@H](NC(=O)[C@]1(C)C(C)(C)C1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103197141 219268155 /nfs/dbraw/zinc/26/81/55/219268155.db2.gz YLQFONACDCMTAX-LKFCYVNXSA-N 0 0 334.674 4.737 1 0 EJAFRN Cc1ccc2cc([C@H]3CC(c4ccsc4)=NN3)c(Cl)nc2c1 ZINC000103213683 219270520 /nfs/dbraw/zinc/27/05/20/219270520.db2.gz MOVVJDYKMPQOCF-MRXNPFEDSA-N 0 0 327.840 4.697 1 0 EJAFRN Cc1ccccc1NCn1nc(-c2ccc(Cl)cc2)oc1=S ZINC000103230767 219272687 /nfs/dbraw/zinc/27/26/87/219272687.db2.gz PEOFOTBBRAZXLU-UHFFFAOYSA-N 0 0 331.828 4.904 1 0 EJAFRN Cc1ccc(-c2nn(CNc3ccc(C)c(C)c3)c(=S)o2)cc1 ZINC000103230760 219272856 /nfs/dbraw/zinc/27/28/56/219272856.db2.gz AERXARWMJBAQNY-UHFFFAOYSA-N 0 0 325.437 4.867 1 0 EJAFRN O=C(C[C@@H](c1ccccc1)[C@H]1C(=O)Nc2ccccc21)c1ccccc1 ZINC000103235992 219273462 /nfs/dbraw/zinc/27/34/62/219273462.db2.gz NKVNREUDWGFVRH-UGKGYDQZSA-N 0 0 341.410 4.779 1 0 EJAFRN Fc1ccccc1Oc1cc(Cl)ccc1Cc1n[nH]c(=S)[nH]1 ZINC000103263253 219278770 /nfs/dbraw/zinc/27/87/70/219278770.db2.gz DDQLLUDTVFNFMN-UHFFFAOYSA-N 0 0 335.791 4.643 1 0 EJAFRN CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1O[C@@H]1CCc2ccccc21 ZINC000103280464 219282329 /nfs/dbraw/zinc/28/23/29/219282329.db2.gz GVDNWSMPZPZOBV-YXIAPDDASA-N 0 0 336.431 4.508 1 0 EJAFRN Cc1cn(C(=O)c2cccc(C)c2)c(=S)n1-c1cccc(Cl)c1 ZINC000103285368 219283475 /nfs/dbraw/zinc/28/34/75/219283475.db2.gz NQKGJBIBHBLNFC-UHFFFAOYSA-N 0 0 342.851 4.967 1 0 EJAFRN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000040915015 213399299 /nfs/dbraw/zinc/39/92/99/213399299.db2.gz IBZYFHWJPZXRNF-SFHVURJKSA-N 0 0 326.827 4.736 1 0 EJAFRN COc1ccc(/C=C(/c2cc(OC)cc(OC)c2)C(F)(F)F)cc1 ZINC000040897695 213398324 /nfs/dbraw/zinc/39/83/24/213398324.db2.gz VDSXWZYHKXJDEQ-IUXPMGMMSA-N 0 0 338.325 4.815 1 0 EJAFRN CC1(C)C[C@H](NC(=S)Nc2ccccc2)c2cc(Cl)ccc2O1 ZINC000040876841 213396470 /nfs/dbraw/zinc/39/64/70/213396470.db2.gz UHBQMDJDZKZNBH-HNNXBMFYSA-N 0 0 346.883 4.929 1 0 EJAFRN c1ncn([C@H](c2ccccc2)c2ccc(Nc3ccccc3)cc2)n1 ZINC000040845064 213393129 /nfs/dbraw/zinc/39/31/29/213393129.db2.gz DKSITUPJKCBVEJ-OAQYLSRUSA-N 0 0 326.403 4.659 1 0 EJAFRN COc1cc(/C=C(/c2ccc(F)cc2)C(F)(F)F)cc(OC)c1 ZINC000040828991 213392173 /nfs/dbraw/zinc/39/21/73/213392173.db2.gz NTIFJGDISLGTSH-SXGWCWSVSA-N 0 0 326.289 4.946 1 0 EJAFRN O=c1c2ccccc2c(Cc2ccccc2Cl)nn1-c1ccccc1 ZINC000040763422 213385356 /nfs/dbraw/zinc/38/53/56/213385356.db2.gz QQSDIHKANHTPIR-UHFFFAOYSA-N 0 0 346.817 4.630 1 0 EJAFRN CN(C(=O)Nc1cccc2c(-c3ccncc3)c[nH]c21)c1ccccc1 ZINC000040564261 213351254 /nfs/dbraw/zinc/35/12/54/213351254.db2.gz ISLGCOFTZOSPOV-UHFFFAOYSA-N 0 0 342.402 4.898 1 0 EJAFRN Cc1ccc(-c2noc(-c3ccc(C(=O)C(F)(F)F)s3)n2)cc1 ZINC000040380148 213294992 /nfs/dbraw/zinc/29/49/92/213294992.db2.gz BZRIFGXMSJPZSX-UHFFFAOYSA-N 0 0 338.310 4.519 1 0 EJAFRN COc1ccc2c(c1)CCCC(c1cc(OC)c(OC)c(OC)c1)=C2 ZINC000040380775 213294705 /nfs/dbraw/zinc/29/47/05/213294705.db2.gz XFOMGEKCOAQWBH-UHFFFAOYSA-N 0 0 340.419 4.598 1 0 EJAFRN COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2=O ZINC000001611230 209766163 /nfs/dbraw/zinc/76/61/63/209766163.db2.gz SNLGVKZKFXEDMG-UNMCSNQZSA-N 0 0 330.383 4.795 1 0 EJAFRN CCCCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085627195 291011329 /nfs/dbraw/zinc/01/13/29/291011329.db2.gz IUOLZVLUKNNKRE-UHFFFAOYSA-N 0 0 346.467 4.755 1 0 biogenic,in-vitro EJAFRN COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@H](O)C[C@@H]21 ZINC000095911996 291012336 /nfs/dbraw/zinc/01/23/36/291012336.db2.gz GORPKZYGDKNNSA-LNFMDRFSSA-N 0 0 334.500 4.656 1 0 biogenic,in-vitro EJAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CCCF)[C@@H]2O ZINC000026251330 202139669 /nfs/dbraw/zinc/13/96/69/202139669.db2.gz PCIVLNOLAXUCQR-XCRSBDITSA-N 0 0 332.459 4.585 1 0 EJAFRN CCCCCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O ZINC000026577432 202145468 /nfs/dbraw/zinc/14/54/68/202145468.db2.gz ANMAIXPMUNUAQN-UHFFFAOYSA-N 0 0 345.446 4.541 1 0 EJAFRN COP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OC ZINC000027886148 202161618 /nfs/dbraw/zinc/16/16/18/202161618.db2.gz PZVFCOBSECKUAX-UHFFFAOYSA-N 0 0 333.349 4.949 1 0 EJAFRN COc1ccc([C@@H](Cc2ccccc2-n2cccc2)n2ccnc2)cc1 ZINC000028243311 202167794 /nfs/dbraw/zinc/16/77/94/202167794.db2.gz XTHUDVDTBSMOEK-JOCHJYFZSA-N 0 0 343.430 4.515 1 0 EJAFRN OCc1ccc(-c2nn(Cc3ccc(Cl)s3)c3ccccc32)o1 ZINC000027877392 202161225 /nfs/dbraw/zinc/16/12/25/202161225.db2.gz XYAYXZRWDNJLSN-UHFFFAOYSA-N 0 0 344.823 4.552 1 0 EJAFRN CC[C@H](c1cc(Cl)cc(Cl)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028346569 202170163 /nfs/dbraw/zinc/17/01/63/202170163.db2.gz PJCCYYKEKQBNQU-LLVKDONJSA-N 0 0 345.251 4.638 1 0 EJAFRN CC(C)(C)c1ccc(NC(=O)c2ccc(-c3cnccn3)cc2)cc1 ZINC000028359030 202170625 /nfs/dbraw/zinc/17/06/25/202170625.db2.gz KCABVJUUIKRPQB-UHFFFAOYSA-N 0 0 331.419 4.693 1 0 EJAFRN CC[C@@H]1NC(=S)N(Nc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000029323088 202183836 /nfs/dbraw/zinc/18/38/36/202183836.db2.gz YDHOPXRUPYITGA-JKSUJKDBSA-N 0 0 331.872 4.788 1 0 EJAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(C)OC)CC[C@H]12 ZINC000071296519 215755836 /nfs/dbraw/zinc/75/58/36/215755836.db2.gz QPEPJQKLVIHQQT-MZFQVPLLSA-N 0 0 348.527 4.977 1 0 EJAFRN COc1ccc(/C=C2\c3sccc3C(=O)c3ccccc32)c(O)c1 ZINC000035080140 213006396 /nfs/dbraw/zinc/00/63/96/213006396.db2.gz OBHLGTMGSBIFCJ-YVLHZVERSA-N 0 0 334.396 4.596 1 0 EJAFRN C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc43)c2c1 ZINC000034490527 212977807 /nfs/dbraw/zinc/97/78/07/212977807.db2.gz KQICINWXQDDNKT-UHFFFAOYSA-N 0 0 340.386 4.651 1 0 EJAFRN CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2)C1 ZINC000034269671 212977092 /nfs/dbraw/zinc/97/70/92/212977092.db2.gz YOLDXKHOBUWSGX-YUVXSKOASA-N 0 0 342.479 4.756 1 0 EJAFRN COc1ccc(-c2occc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072109933 216010740 /nfs/dbraw/zinc/01/07/40/216010740.db2.gz FCPLCRHPQRDNPP-UHFFFAOYSA-N 0 0 340.375 4.648 1 0 EJAFRN COc1ccc2c3cc(C=O)c(OC)c(CC=C(C)C)c3n(C)c2c1 ZINC000072114268 216011338 /nfs/dbraw/zinc/01/13/38/216011338.db2.gz BCJZAHCTJNNSIX-UHFFFAOYSA-N 0 0 337.419 4.670 1 0 EJAFRN Nc1ccccc1Nc1nc(-c2cccc(F)c2)nc2ccc(F)cc21 ZINC000072114470 216011769 /nfs/dbraw/zinc/01/17/69/216011769.db2.gz ZHWZDWSERVEEQX-UHFFFAOYSA-N 0 0 348.356 4.901 1 0 EJAFRN C[C@@]1(c2ccccc2)CCN(c2cccc(Br)c2)C(=O)O1 ZINC000072116818 216012653 /nfs/dbraw/zinc/01/26/53/216012653.db2.gz FCQMFQGLDUEZDD-KRWDZBQOSA-N 0 0 346.224 4.711 1 0 EJAFRN CCCc1cc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)ccn1 ZINC000072139826 216026468 /nfs/dbraw/zinc/02/64/68/216026468.db2.gz LZVRJUVBTQEBPU-UHFFFAOYSA-N 0 0 337.448 4.783 1 0 EJAFRN O[C@](c1ccc(Cl)cc1)(c1ccccn1)c1ccccc1Cl ZINC000072184511 216067624 /nfs/dbraw/zinc/06/76/24/216067624.db2.gz AZXOQWNWDRSJGX-SFHVURJKSA-N 0 0 330.214 4.673 1 0 EJAFRN O=C(NC1CCCCC1)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323646 216151596 /nfs/dbraw/zinc/15/15/96/216151596.db2.gz XPQBHGAIFHRFEW-UHFFFAOYSA-N 0 0 325.456 4.604 2 0 EJAFRN CNc1ccc(-c2cn3c4ccc(OCCF)cc4sc3n2)cc1 ZINC000072316838 216148613 /nfs/dbraw/zinc/14/86/13/216148613.db2.gz WWPSVHYBUBUUFS-UHFFFAOYSA-N 0 0 341.411 4.606 1 0 EJAFRN O=S(=O)(c1ccc(Cl)cc1)C1(c2ccccc2)CCCCC1 ZINC000028520464 212622892 /nfs/dbraw/zinc/62/28/92/212622892.db2.gz XMYNJSLMUBGZIQ-UHFFFAOYSA-N 0 0 334.868 4.973 1 0 in-vivo 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UBHRYVVGJVAFCU-GHXNOFRVSA-N 0 0 337.322 4.740 1 0 EJAFRN O[C@@H]1CCc2cccc(Nc3ncc(-c4ccc(Cl)cc4)o3)c2C1 ZINC000053230083 202655446 /nfs/dbraw/zinc/65/54/46/202655446.db2.gz TYICIIYZUHYVCH-OAHLLOKOSA-N 0 0 340.810 4.588 1 0 EJAFRN COc1ccc(-c2c3c(nn2-c2ccccc2)CC(C)(C)CC3=O)cc1 ZINC000000090957 201433476 /nfs/dbraw/zinc/43/34/76/201433476.db2.gz OREDWUSRNWZXJK-UHFFFAOYSA-N 0 0 346.430 4.703 1 0 EJAFRN CCO[C@@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1CC[C@H]32 ZINC000066104739 202878620 /nfs/dbraw/zinc/87/86/20/202878620.db2.gz KZYXNKRMNALLBY-CBPXPLCBSA-N 0 0 344.495 4.899 1 0 in-vitro EJAFRN Cc1sc2c(c1C)CSC(C(=O)NCc1cccc(C)c1)=C2 ZINC000020557328 212147132 /nfs/dbraw/zinc/14/71/32/212147132.db2.gz KLAWDDZVHVPSRJ-UHFFFAOYSA-N 0 0 329.490 4.577 1 0 EJAFRN CCCn1ncc(-c2ccnc(N[C@H]3CCCc4ccccc43)n2)c1C ZINC000020454219 212131934 /nfs/dbraw/zinc/13/19/34/212131934.db2.gz OWQSPYVJCXICBI-IBGZPJMESA-N 0 0 347.466 4.548 1 0 EJAFRN Cc1cccc(Nc2nc(-c3ccnc(-c4cc[nH]n4)c3)cs2)c1 ZINC000072114478 203163759 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215756011 /nfs/dbraw/zinc/75/60/11/215756011.db2.gz BSWNLVCXNXSRBO-CYBMUJFWSA-N 0 0 336.387 4.795 1 0 EJAFRN Cc1ccc2c(c1)C(=O)N(c1cc(Cl)c(Cl)c(Cl)c1)C2=O ZINC000071341748 215763745 /nfs/dbraw/zinc/76/37/45/215763745.db2.gz UAQIZUOPEZZQCR-UHFFFAOYSA-N 0 0 340.593 4.756 1 0 EJAFRN Cc1ccccc1Nc1cc(C(=O)NC2CCCC2)c2ccccc2n1 ZINC000000429188 209595429 /nfs/dbraw/zinc/59/54/29/209595429.db2.gz BPOMRCUTDSZVLQ-UHFFFAOYSA-N 0 0 345.446 4.959 1 0 EJAFRN CC(C)=CC[C@@]12CCN(C)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000034997915 213004029 /nfs/dbraw/zinc/00/40/29/213004029.db2.gz HBBVMHZVPPQVSO-PKTZIBPZSA-N 0 0 332.491 4.963 1 0 EJAFRN COc1cc(OC)c2c(c1)oc(=O)cc2-c1cccc(-c2ccoc2)c1 ZINC000034114906 212974428 /nfs/dbraw/zinc/97/44/28/212974428.db2.gz QMSUJYCGJPSTIU-UHFFFAOYSA-N 0 0 348.354 4.737 3 0 EJAFRN O[C@](c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1ccccc1F ZINC000072101499 216008772 /nfs/dbraw/zinc/00/87/72/216008772.db2.gz KTIOXJOAXPXZHZ-GOSISDBHSA-N 0 0 347.311 4.524 1 0 EJAFRN Clc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000072112109 216010735 /nfs/dbraw/zinc/01/07/35/216010735.db2.gz BXFMHHGBXLNPTL-CVEARBPZSA-N 0 0 345.233 4.731 1 0 EJAFRN O=C(/C=C/c1ccccc1)n1ccc2cc(Br)ccc21 ZINC000072118651 216012503 /nfs/dbraw/zinc/01/25/03/216012503.db2.gz PWSLXVSMNRYLMG-RMKNXTFCSA-N 0 0 326.193 4.757 1 0 EJAFRN Fc1cccc(Cl)c1CCSc1ccc(-c2ccccn2)nn1 ZINC000072124815 216016750 /nfs/dbraw/zinc/01/67/50/216016750.db2.gz NQQQETMIMSLGGI-UHFFFAOYSA-N 0 0 345.830 4.666 1 0 EJAFRN Cn1ccc2c1c1c(cc2-c2ccc3c(c2)OCCO3)[C@H]2CC[C@@H]1O2 ZINC000072134813 216023937 /nfs/dbraw/zinc/02/39/37/216023937.db2.gz WMRMXAAAFUQIBY-AEFFLSMTSA-N 0 0 333.387 4.523 1 0 EJAFRN CCCc1nc2ccc(Br)cn2c1Cc1ccccc1 ZINC000072136622 216024559 /nfs/dbraw/zinc/02/45/59/216024559.db2.gz XFIHYZSBKWYLOA-UHFFFAOYSA-N 0 0 329.241 4.640 3 0 EJAFRN COc1ccc([C@H]2NC(=O)Oc3ccc4oc5ccccc5c4c32)cc1 ZINC000072172103 216063811 /nfs/dbraw/zinc/06/38/11/216063811.db2.gz DLZYWNGSONJITP-HXUWFJFHSA-N 0 0 345.354 4.786 1 0 EJAFRN Cc1nn(Cc2coc(-c3ccc(F)cc3)n2)cc1-c1ccccc1 ZINC000072184575 216067344 /nfs/dbraw/zinc/06/73/44/216067344.db2.gz IVRXRIGUJLFPOG-UHFFFAOYSA-N 0 0 333.366 4.701 1 0 EJAFRN O[C@@](c1sccc1Cl)(c1ccc(Cl)cc1)c1cccnc1 ZINC000072186456 216067591 /nfs/dbraw/zinc/06/75/91/216067591.db2.gz SBBRWRRRYJXEQQ-INIZCTEOSA-N 0 0 336.243 4.734 1 0 EJAFRN Cc1cc(C)cc(Nc2cc(-n3ccnc3-c3ccccc3)ncn2)c1 ZINC000029407487 212665638 /nfs/dbraw/zinc/66/56/38/212665638.db2.gz XZOWYZAWRJGOCK-UHFFFAOYSA-N 0 0 341.418 4.690 1 0 EJAFRN CC(C)(C)n1cc(C(=O)Nc2cccc(Cl)c2)c2cccnc21 ZINC000072323174 216150468 /nfs/dbraw/zinc/15/04/68/216150468.db2.gz SJTYNILFCGXIHU-UHFFFAOYSA-N 0 0 327.815 4.697 2 0 EJAFRN CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2F)cc1 ZINC000029126860 212652787 /nfs/dbraw/zinc/65/27/87/212652787.db2.gz CDQJVJKWIZSESA-UHFFFAOYSA-N 0 0 348.377 4.703 1 0 EJAFRN CC(C)Nc1nc2ccc(-c3ccnn3-c3ccccc3)cc2s1 ZINC000029041770 212649261 /nfs/dbraw/zinc/64/92/61/212649261.db2.gz WYYCMLOKSSNMRT-UHFFFAOYSA-N 0 0 334.448 4.969 1 0 EJAFRN CCc1ncnc(N[C@@H](C)c2cc3cccc(OC)c3o2)c1Cl ZINC000028887618 212642008 /nfs/dbraw/zinc/64/20/08/212642008.db2.gz LEENCTXHFKUUJE-JTQLQIEISA-N 0 0 331.803 4.620 1 0 EJAFRN Cc1c(Cc2c(F)cccc2Cl)c(=O)ccn1Cc1ccccc1 ZINC000028641386 212628328 /nfs/dbraw/zinc/62/83/28/212628328.db2.gz RUEASRQYAUVUPA-UHFFFAOYSA-N 0 0 341.813 4.588 1 0 EJAFRN Clc1ccc2c(c1)nccc2-c1c2n(nc1-c1ccccn1)CCC2 ZINC000027191101 212548569 /nfs/dbraw/zinc/54/85/69/212548569.db2.gz TWYFELLCKHAKCY-UHFFFAOYSA-N 0 0 346.821 4.760 1 0 EJAFRN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccncc1 ZINC000026942971 212541942 /nfs/dbraw/zinc/54/19/42/212541942.db2.gz PMSIXJNBLBJFJA-DKNARZCZSA-N 0 0 340.426 4.563 1 0 EJAFRN COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000014774480 201059548 /nfs/dbraw/zinc/05/95/48/201059548.db2.gz ACKWWYIXLTYJCG-ZSEKCTLFSA-N 0 0 346.467 4.900 1 0 EJAFRN Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C2(C)C ZINC000073158803 216358113 /nfs/dbraw/zinc/35/81/13/216358113.db2.gz 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/nfs/dbraw/zinc/09/21/02/203092102.db2.gz SQWNDVOWQWKPHF-UHFFFAOYSA-N 0 0 342.613 4.902 1 0 EJAFRN CCCOc1nn2cc(-c3ccc(OCC)cc3)nc2c2ccccc21 ZINC000072174401 203182111 /nfs/dbraw/zinc/18/21/11/203182111.db2.gz PXUQHABMEUGKMM-UHFFFAOYSA-N 0 0 347.418 4.737 1 0 EJAFRN CC(C)(C)n1cc(C(=O)Nc2ccc(Cl)cc2)c2cccnc21 ZINC000072323175 203200945 /nfs/dbraw/zinc/20/09/45/203200945.db2.gz QYFHTODQIRBPBD-UHFFFAOYSA-N 0 0 327.815 4.697 2 0 EJAFRN CCCCCNc1oc2c(c1Nc1ccccc1)c(CO)cnc2C ZINC000095576860 203764183 /nfs/dbraw/zinc/76/41/83/203764183.db2.gz HFTPWHKAVJEOSJ-UHFFFAOYSA-N 0 0 339.439 4.974 1 0 EJAFRN Cc1cn(C(=O)c2ccc(C)cc2)c(=S)n1-c1ccccc1Cl ZINC000098084027 203984267 /nfs/dbraw/zinc/98/42/67/203984267.db2.gz KPTMOFMGMSUTRK-UHFFFAOYSA-N 0 0 342.851 4.967 1 0 EJAFRN COc1ccc(-c2nc3cc(-c4csc(C(C)=O)c4)cnc3[nH]2)cc1 ZINC000103248089 204068620 /nfs/dbraw/zinc/06/86/20/204068620.db2.gz GCGZPJLTXHNZIM-UHFFFAOYSA-N 0 0 349.415 4.565 1 0 EJAFRN CC(C)(C)c1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 ZINC000103261281 204070586 /nfs/dbraw/zinc/07/05/86/204070586.db2.gz LMVMJCHTVUMGJA-FQEVSTJZSA-N 0 0 347.462 4.587 1 0 EJAFRN CC(C)c1nnc2ccc(-c3ocnc3-c3cccc(Cl)c3)cn21 ZINC000014961172 211778735 /nfs/dbraw/zinc/77/87/35/211778735.db2.gz KEAXLOURFDQQDT-UHFFFAOYSA-N 0 0 338.798 4.828 1 0 EJAFRN COc1c(O)c(C(C)C)c(O)c2c1[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000014774474 211762822 /nfs/dbraw/zinc/76/28/22/211762822.db2.gz DTHWSUAQUGVGLC-ZSEKCTLFSA-N 0 0 346.467 4.900 1 0 EJAFRN COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@H]1[C@]2(C)CCCC1(C)C ZINC000014719589 211755073 /nfs/dbraw/zinc/75/50/73/211755073.db2.gz PZLPUCMOBKVMOI-UYAOXDASSA-N 0 0 332.440 4.510 1 0 biogenic,in-vitro EJAFRN Nc1ccnc(Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000084603050 217619484 /nfs/dbraw/zinc/61/94/84/217619484.db2.gz UYHQZAYRYVKPCY-UHFFFAOYSA-N 0 0 346.312 4.614 1 0 EJAFRN Cc1c2c(cc3c(C(F)(F)F)cc(=O)n(C)c13)[C@H](C)CC(C)(C)N2 ZINC000013778364 211635728 /nfs/dbraw/zinc/63/57/28/211635728.db2.gz DAAOORPBZJXDTF-SECBINFHSA-N 0 0 338.373 4.563 1 0 EJAFRN CC(C)[C@H]1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21 ZINC000013778391 211635779 /nfs/dbraw/zinc/63/57/79/211635779.db2.gz VDLLXEPXPVSVBG-GFCCVEGCSA-N 0 0 338.373 4.881 1 0 EJAFRN CC[C@H](C)OC(=O)N=c1[nH]c2ccc(OC(F)(F)F)cc2s1 ZINC000084738913 217639510 /nfs/dbraw/zinc/63/95/10/217639510.db2.gz QANCDZXPMRCAGU-ZETCQYMHSA-N 0 0 334.319 4.542 1 0 EJAFRN CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C ZINC000095552685 218435141 /nfs/dbraw/zinc/43/51/41/218435141.db2.gz QAILTYMAZIQAFM-UHFFFAOYSA-N 0 0 340.467 4.588 1 0 EJAFRN O=C1NC[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000096929860 218901227 /nfs/dbraw/zinc/90/12/27/218901227.db2.gz HTKNCQZCINRNGM-WFASDCNBSA-N 0 0 340.637 4.644 1 0 EJAFRN O=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000005002464 210357337 /nfs/dbraw/zinc/35/73/37/210357337.db2.gz ZHMWAECVOGMYGO-GPXNEJASSA-N 0 0 341.454 4.890 1 0 EJAFRN C[C@@H]1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000000018028 208549305 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C1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000137314453 526419165 /nfs/dbraw/zinc/41/91/65/526419165.db2.gz USIDNFXDNPBRBR-UPHRSURJSA-N 0 0 344.418 4.638 1 0 EJAFRN CCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000169294777 528263268 /nfs/dbraw/zinc/26/32/68/528263268.db2.gz YZLBMKFWNDFUGQ-SARIIGPNSA-N 0 0 346.474 4.733 1 0 EJAFRN CN1CCCc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c21 ZINC000040568175 536398074 /nfs/dbraw/zinc/39/80/74/536398074.db2.gz URQABIMASAYBOC-UHFFFAOYSA-N 0 0 342.442 4.988 1 0 EJAFRN C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1 ZINC000013744731 581097781 /nfs/dbraw/zinc/09/77/81/581097781.db2.gz FDDHLIKGRGAAEP-LBPRGKRZSA-N 0 0 347.245 4.880 1 0 EJAFRN CC(=O)Nc1oc(-c2cc3ccccc3cc2O)nc1-c1ccccc1 ZINC000000024456 581095672 /nfs/dbraw/zinc/09/56/72/581095672.db2.gz RLYVBHARZJDPAR-UHFFFAOYSA-N 0 0 344.370 4.826 1 0 EJAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000053293483 214175096 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338.410 4.538 1 0 EJAFRN CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028336552 202168995 /nfs/dbraw/zinc/16/89/95/202168995.db2.gz YHOSYQYEHFHXEX-NSHDSACASA-N 0 0 345.251 4.638 1 0 EJAFRN CCCCCC[C@@H]1C(=O)c2c(O)c3c(O)cc(O)cc3cc2C[C@H]1C ZINC000028363703 202170002 /nfs/dbraw/zinc/17/00/02/202170002.db2.gz GSIHILDRGWUULW-WBMJQRKESA-N 0 0 342.435 4.918 1 0 EJAFRN C[C@H](NC(=O)Nc1cccc2n[nH]cc21)c1cccc2ccccc21 ZINC000028706193 202175080 /nfs/dbraw/zinc/17/50/80/202175080.db2.gz JDRPMNKQHHRRIZ-ZDUSSCGKSA-N 0 0 330.391 4.599 1 0 EJAFRN CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000028825612 202177486 /nfs/dbraw/zinc/17/74/86/202177486.db2.gz LNJSERBKBKMOEC-UHFFFAOYSA-N 0 0 338.160 4.854 1 0 EJAFRN Oc1ccc(-c2ccc(-c3[nH]nc4c3Cc3cc(O)ccc3-4)cc2)cc1 ZINC000028822258 202178015 /nfs/dbraw/zinc/17/80/15/202178015.db2.gz YHNRFNJYCLUDHD-UHFFFAOYSA-N 0 0 340.382 4.726 1 0 in-vitro EJAFRN CCCCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2C ZINC000028955662 202179442 /nfs/dbraw/zinc/17/94/42/202179442.db2.gz CVMWBFLQQQNPFP-NRFANRHFSA-N 0 0 333.431 4.733 1 0 EJAFRN CC(=O)c1ccc(Nc2c3c(C)nn(C)c3nc3ccc(C)cc32)cc1 ZINC000029037863 202179918 /nfs/dbraw/zinc/17/99/18/202179918.db2.gz KWDWRJZYTJOQDV-UHFFFAOYSA-N 0 0 344.418 4.685 1 0 EJAFRN CCOC(=O)N(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12 ZINC000029474781 202187854 /nfs/dbraw/zinc/18/78/54/202187854.db2.gz ABEXBWLLYCJYNI-UTKZUKDTSA-N 0 0 343.467 4.628 1 0 EJAFRN CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc32)cc1Cl ZINC000029552356 202189496 /nfs/dbraw/zinc/18/94/96/202189496.db2.gz UPCLVYPAHAGTST-UHFFFAOYSA-N 0 0 340.814 4.598 1 0 EJAFRN O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000035275062 213016948 /nfs/dbraw/zinc/01/69/48/213016948.db2.gz GBTMJQVREIDPRQ-UHFFFAOYSA-N 0 0 330.343 4.854 1 0 EJAFRN COc1cc(/C=C2\c3sccc3C(=O)c3ccccc32)ccc1O ZINC000035080134 213006575 /nfs/dbraw/zinc/00/65/75/213006575.db2.gz BJDQGGKXNPRQBU-YBEGLDIGSA-N 0 0 334.396 4.596 1 0 EJAFRN Cc1cc(NC(=O)Nc2cnc3ccccc3c2)c2ccccc2n1 ZINC000035049766 213005333 /nfs/dbraw/zinc/00/53/33/213005333.db2.gz FDVRCYMXWVHGMJ-UHFFFAOYSA-N 0 0 328.375 4.735 1 0 EJAFRN O=C(Nc1ccc(F)cc1)Nc1cc(F)cc(Oc2cccnc2)c1 ZINC000072108907 216010652 /nfs/dbraw/zinc/01/06/52/216010652.db2.gz FHRQRMIAOTXNNP-UHFFFAOYSA-N 0 0 341.317 4.796 1 0 EJAFRN Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NC2CCCC2)n1 ZINC000072109159 216010730 /nfs/dbraw/zinc/01/07/30/216010730.db2.gz AIHCHKBEOSNNLJ-UHFFFAOYSA-N 0 0 326.831 4.941 1 0 EJAFRN Clc1ccccc1CCSc1ccc(-c2ccccn2)nn1 ZINC000072123461 216015043 /nfs/dbraw/zinc/01/50/43/216015043.db2.gz CCYTYNWZMMPEPH-UHFFFAOYSA-N 0 0 327.840 4.527 1 0 EJAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC1CC1 ZINC000072139893 216026009 /nfs/dbraw/zinc/02/60/09/216026009.db2.gz CIHOBDOHPSDNAG-LXHROKJGSA-N 0 0 326.480 4.780 1 0 EJAFRN CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(F)c1 ZINC000072174841 216064549 /nfs/dbraw/zinc/06/45/49/216064549.db2.gz LATRKKVJEDVKND-UHFFFAOYSA-N 0 0 339.391 4.723 1 0 EJAFRN O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c2ccccc12 ZINC000072177080 216066439 /nfs/dbraw/zinc/06/64/39/216066439.db2.gz MZIFHZHNHRTPKF-UHFFFAOYSA-N 0 0 347.805 4.931 1 0 EJAFRN Cc1nn(Cc2coc(-c3cccc(C)c3)n2)cc1-c1ccccc1 ZINC000072184108 216067115 /nfs/dbraw/zinc/06/71/15/216067115.db2.gz PIRUPIDEDLZGBV-UHFFFAOYSA-N 0 0 329.403 4.870 1 0 EJAFRN COc1ccc2c(c1)SCc1cnn(-c3ccc(Cl)cc3)c1-2 ZINC000040846483 202465928 /nfs/dbraw/zinc/46/59/28/202465928.db2.gz BCJPQKVUKPKQPE-UHFFFAOYSA-N 0 0 328.824 4.807 1 0 EJAFRN COc1cc([C@@H]2CC(=O)Oc3ccc4cc(C)ccc4c32)ccc1C ZINC000029151416 212654909 /nfs/dbraw/zinc/65/49/09/212654909.db2.gz WOXVBKCUCGMQEY-SFHVURJKSA-N 0 0 332.399 4.906 1 0 EJAFRN C[C@H](CCc1ccccc1)NC(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323159 216150100 /nfs/dbraw/zinc/15/01/00/216150100.db2.gz MNTHUNRPQXHFMM-MRXNPFEDSA-N 0 0 349.478 4.542 2 0 EJAFRN COC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000029249786 212659322 /nfs/dbraw/zinc/65/93/22/212659322.db2.gz CPWCZAGTADVGTE-UHFFFAOYSA-N 0 0 337.162 4.980 1 0 EJAFRN CCOC(=O)/C=C1\CC[C@H]2[C@@](O)(CC[C@H]3C(C)(C)CCC[C@]23C)C1 ZINC000028968284 212647134 /nfs/dbraw/zinc/64/71/34/212647134.db2.gz OGZWWKHOWAJYEN-DZFOVHIKSA-N 0 0 334.500 4.634 1 0 EJAFRN Cc1ccc(C(=O)Oc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000028713803 212634190 /nfs/dbraw/zinc/63/41/90/212634190.db2.gz LJGCLOMPGJOBJL-UHFFFAOYSA-N 0 0 330.383 4.754 1 0 EJAFRN CCOC(=O)[C@@H](C)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1 ZINC000028225323 212605460 /nfs/dbraw/zinc/60/54/60/212605460.db2.gz URBORXWEXSKUNB-NSHDSACASA-N 0 0 345.782 4.922 1 0 EJAFRN COc1cc(/C=C/c2ccc3ccccc3c2)cc(NC(C)=O)c1OC ZINC000028112246 212600505 /nfs/dbraw/zinc/60/05/05/212600505.db2.gz FTFGEZDIWLCNNA-CMDGGOBGSA-N 0 0 347.414 4.986 1 0 EJAFRN COC(=O)c1sc(C(C)C)cc1NC(=O)Nc1ccc(C)cc1 ZINC000028221725 212603988 /nfs/dbraw/zinc/60/39/88/212603988.db2.gz XSEQAKHTJDAGQH-UHFFFAOYSA-N 0 0 332.425 4.611 1 0 EJAFRN Cc1cc(-c2ccccc2)sc1-c1cc(=O)c2ccc(C)[nH]c-2n1 ZINC000027327067 212553910 /nfs/dbraw/zinc/55/39/10/212553910.db2.gz UUTCEMUBPFRQPL-UHFFFAOYSA-N 0 0 332.428 4.935 1 0 EJAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](C)[C@H](O)[C@@H]21 ZINC000026007491 212504192 /nfs/dbraw/zinc/50/41/92/212504192.db2.gz SUVXTOCRTNYFMQ-FSPMTTQMSA-N 0 0 332.484 4.787 1 0 EJAFRN COc1ccc2cc1Oc1cc(ccc1OC)CCC(=O)CCCC2 ZINC000073165706 216359676 /nfs/dbraw/zinc/35/96/76/216359676.db2.gz XCCVGTCYBJSMMG-UHFFFAOYSA-N 0 0 340.419 4.724 1 0 EJAFRN Fc1ccc2nc(NC(=S)Nc3ccc(Cl)cc3)sc2c1 ZINC000073221393 216367278 /nfs/dbraw/zinc/36/72/78/216367278.db2.gz DXPHCVVXLGONOV-UHFFFAOYSA-N 0 0 337.832 4.898 1 0 EJAFRN CCOc1ccccc1-c1ccc(-c2cc(=O)c3c[nH]ccc-3n2)cc1 ZINC000073294310 216374607 /nfs/dbraw/zinc/37/46/07/216374607.db2.gz MVEWARNTEWZBPQ-UHFFFAOYSA-N 0 0 342.398 4.656 1 0 EJAFRN S=C1Nc2ccc(Cl)cc2CN1CCc1ccc(Cl)cc1 ZINC000045373873 202551443 /nfs/dbraw/zinc/55/14/43/202551443.db2.gz JWGSLQCQYAKHOT-UHFFFAOYSA-N 0 0 337.275 4.749 1 0 EJAFRN CCCCOc1c2c[nH]nc2ccc1C(=O)c1c(F)cc(C)cc1F ZINC000064503978 202814566 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349.503 4.866 1 0 EJAFRN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(O)c3CC[C@@H]12 ZINC000103298214 204073211 /nfs/dbraw/zinc/07/32/11/204073211.db2.gz YDAATSHQUAMAPZ-DUXKGJEZSA-N 0 0 330.468 4.699 1 0 EJAFRN Cc1cc(C)c(Oc2nc(C)cc(O[C@@H]3CCOC3)c2C)c(C)c1 ZINC000014975015 211781705 /nfs/dbraw/zinc/78/17/05/211781705.db2.gz VLYZKJBTVCEEAQ-QGZVFWFLSA-N 0 0 327.424 4.584 1 0 EJAFRN COc1ccc(Cl)cc1-c1nc2ccc(Br)cc2o1 ZINC000084731527 217637239 /nfs/dbraw/zinc/63/72/39/217637239.db2.gz DRWOVHGAGVCLFI-UHFFFAOYSA-N 0 0 338.588 4.919 1 0 EJAFRN CCN1CCc2cccc([C@H](c3cccc(Cl)c3)n3ccnc3)c21 ZINC000013489543 211567078 /nfs/dbraw/zinc/56/70/78/211567078.db2.gz QRTIJMRHANZUDX-FQEVSTJZSA-N 0 0 337.854 4.557 1 0 EJAFRN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@H]1C(C)(C)C ZINC000012306512 211342171 /nfs/dbraw/zinc/34/21/71/211342171.db2.gz PDCTWJVTWDDQFM-FQEVSTJZSA-N 0 0 336.483 4.530 3 0 EJAFRN O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc21 ZINC000095576375 218439860 /nfs/dbraw/zinc/43/98/60/218439860.db2.gz 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/nfs/dbraw/zinc/24/03/51/226240351.db2.gz JKTSJFULSAPROF-UHFFFAOYSA-N 0 0 343.839 4.614 1 0 EJAFRN CCNC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000169294778 528262567 /nfs/dbraw/zinc/26/25/67/528262567.db2.gz YZLBMKFWNDFUGQ-YHZXZUTKSA-N 0 0 346.474 4.733 1 0 EJAFRN CC(C)[C@@](O)(c1cn[nH]n1)c1ccc2cc(-c3cccs3)ccc2c1 ZINC000169334458 528880080 /nfs/dbraw/zinc/88/00/80/528880080.db2.gz WRXRPPQRURPMPT-FQEVSTJZSA-N 0 0 349.459 4.578 1 0 EJAFRN CCC(=O)O[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000004166451 560197255 /nfs/dbraw/zinc/19/72/55/560197255.db2.gz PQCRZWCSVWBYSC-PWIGDYEPSA-N 0 0 328.452 4.570 1 0 in-vitro EJAFRN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000004166454 560197269 /nfs/dbraw/zinc/19/72/69/560197269.db2.gz PQCRZWCSVWBYSC-IYWGDAJJSA-N 0 0 328.452 4.570 1 0 in-vitro EJAFRN CS(=O)(=O)c1ccc(/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000028123186 581100163 /nfs/dbraw/zinc/10/01/63/581100163.db2.gz ZPQRRDVDLPNHQM-LTGZKZEYSA-N 0 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210154406 /nfs/dbraw/zinc/15/44/06/210154406.db2.gz AFIBHUSAXJIJHX-UHFFFAOYSA-N 0 0 346.821 4.957 3 0 EJAFRN CN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 ZINC000169299352 530002842 /nfs/dbraw/zinc/00/28/42/530002842.db2.gz ZTLGKYBTPQFVKF-RBUKOAKNSA-N 0 0 336.410 4.860 1 0 EJAFRN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl ZINC000004078542 210115239 /nfs/dbraw/zinc/11/52/39/210115239.db2.gz XXGYLVGJPUMZGF-INIZCTEOSA-N 0 0 331.847 4.839 3 0 EJAFRN COc1ccc(-c2[nH]nc3c2C(=O)c2cc(Cl)c(Cl)cc2-3)cc1 ZINC000013492124 201897746 /nfs/dbraw/zinc/89/77/46/201897746.db2.gz RNEFSRCICVWBEJ-UHFFFAOYSA-N 0 0 345.185 4.604 1 0 EJAFRN CCOC(=O)c1[nH]c2ccccc2c1Sc1cccc(OC)c1 ZINC000013680297 201907507 /nfs/dbraw/zinc/90/75/07/201907507.db2.gz GIAORKVVXVSTEU-UHFFFAOYSA-N 0 0 327.405 4.504 1 0 EJAFRN O=C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066066635 215005667 /nfs/dbraw/zinc/00/56/67/215005667.db2.gz JRWGMHZVFCUFPY-UHFFFAOYSA-N 0 0 343.417 4.542 1 0 EJAFRN Cc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1 ZINC000066073987 215006540 /nfs/dbraw/zinc/00/65/40/215006540.db2.gz CPHQFWZBQVNLCW-UHFFFAOYSA-N 0 0 348.368 4.866 1 0 EJAFRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccs3)nc(N)c12 ZINC000013835473 201918808 /nfs/dbraw/zinc/91/88/08/201918808.db2.gz DWTKUAPTQWTUCO-CQSZACIVSA-N 0 0 348.475 4.968 1 0 EJAFRN Fc1ccccc1-c1nc2ccn(Cc3ccc(Cl)cc3)cc-2n1 ZINC000003937419 210094205 /nfs/dbraw/zinc/09/42/05/210094205.db2.gz YZUXVZDOJDDZFC-UHFFFAOYSA-N 0 0 337.785 4.891 1 0 EJAFRN Clc1ccc(/C(=C/n2cncn2)OC2CCCCC2)c(Cl)c1 ZINC000003921079 210093842 /nfs/dbraw/zinc/09/38/42/210093842.db2.gz SKAYRDVTMVVMKL-SXGWCWSVSA-N 0 0 338.238 4.890 1 0 EJAFRN CN(C)c1ccc2n1-c1ccccc1S[C@H](c1ccccc1)C2=O ZINC000066111585 215014029 /nfs/dbraw/zinc/01/40/29/215014029.db2.gz YKBZQXBUGJNMOQ-HXUWFJFHSA-N 0 0 334.444 4.573 1 0 EJAFRN CCOC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccc(F)cc1 ZINC000043010978 213549372 /nfs/dbraw/zinc/54/93/72/213549372.db2.gz DTIHFHAVWZYOGH-GOSISDBHSA-N 0 0 343.423 4.922 1 0 EJAFRN CCc1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 ZINC000103185282 219266276 /nfs/dbraw/zinc/26/62/76/219266276.db2.gz JBOACNYDEPATAM-HTXNQAPBSA-N 0 0 329.856 4.597 1 0 EJAFRN CCN(CC)c1cccc(OCc2cc(=O)oc3ccc(C)cc23)c1 ZINC000103201534 219269748 /nfs/dbraw/zinc/26/97/48/219269748.db2.gz NZJPGYMEOSAPEF-UHFFFAOYSA-N 0 0 337.419 4.527 1 0 EJAFRN COc1ccc2c(c1)C(=O)[C@@H](c1ccc(Oc3ccccc3)cc1)CO2 ZINC000103231166 219272089 /nfs/dbraw/zinc/27/20/89/219272089.db2.gz LRGCREBDJRGHSJ-HXUWFJFHSA-N 0 0 346.382 4.846 1 0 EJAFRN COc1ccc2c(c1)CCCCN2c1nc(Cl)nc2ccccc21 ZINC000103246806 219274325 /nfs/dbraw/zinc/27/43/25/219274325.db2.gz LWWXDUNCVOBLNM-UHFFFAOYSA-N 0 0 339.826 4.766 1 0 EJAFRN COc1ccc(-c2nnc([C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)o2)cc1 ZINC000103274419 219281497 /nfs/dbraw/zinc/28/14/97/219281497.db2.gz JFKOHBSBKRLWOK-YPMHNXCESA-N 0 0 339.222 4.804 1 0 EJAFRN Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)c3snnc3C2(C)C)cc1 ZINC000103278520 219281505 /nfs/dbraw/zinc/28/15/05/219281505.db2.gz XDJIYQAXBWUUGY-PKOBYXMFSA-N 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CCc1cn(-c2ccc(O)cc2C)c2c1cnc1c(OC)cccc21 ZINC000026719423 202147739 /nfs/dbraw/zinc/14/77/39/202147739.db2.gz NHPMYXINRGKADK-UHFFFAOYSA-N 0 0 332.403 4.764 1 0 EJAFRN CCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027560923 202158130 /nfs/dbraw/zinc/15/81/30/202158130.db2.gz GKSPKJMGNMMELS-NUEKZKHPSA-N 0 0 346.492 4.838 1 0 EJAFRN O=c1[nH]c2ccc(-c3ccc(F)c(Cl)c3)cc2n1C1CCCC1 ZINC000028463772 202171194 /nfs/dbraw/zinc/17/11/94/202171194.db2.gz OKSDULDNQUCOIS-UHFFFAOYSA-N 0 0 330.790 4.904 1 0 EJAFRN O=c1on(C2CCCCC2)c(-c2ccncc2)c1-c1ccc(F)cc1 ZINC000028522547 202171909 /nfs/dbraw/zinc/17/19/09/202171909.db2.gz QSDZGAAVHQMDRO-UHFFFAOYSA-N 0 0 338.382 4.815 1 0 EJAFRN O=C(OC1CCCCCCC1)[C@H]1Cc2c3ccccc3sc2CN1 ZINC000036187808 213075409 /nfs/dbraw/zinc/07/54/09/213075409.db2.gz XFOOFVMYGDRRGN-QGZVFWFLSA-N 0 0 343.492 4.572 1 0 EJAFRN COc1cc([C@@H]2Nc3ccccc3-n3c2cc2ccccc23)ccc1O ZINC000071341918 215764105 /nfs/dbraw/zinc/76/41/05/215764105.db2.gz BLLFNEMXEWOECV-QFIPXVFZSA-N 0 0 342.398 4.860 1 0 EJAFRN C(=C/[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1)\c1ccccc1 ZINC000072113650 216011622 /nfs/dbraw/zinc/01/16/22/216011622.db2.gz AODBVRDJVGCMRP-NCUBBLFSSA-N 0 0 341.458 4.826 1 0 EJAFRN Cc1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 ZINC000072113599 216011497 /nfs/dbraw/zinc/01/14/97/216011497.db2.gz POMNLLMFQAUZRE-OAQYLSRUSA-N 0 0 329.447 4.794 1 0 EJAFRN O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F ZINC000072101700 216007963 /nfs/dbraw/zinc/00/79/63/216007963.db2.gz KCGLWIFUYTWECL-SFHVURJKSA-N 0 0 348.204 4.812 1 0 EJAFRN CC1(C)[C@H](c2ccc3ccccc3n2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000034817170 202277432 /nfs/dbraw/zinc/27/74/32/202277432.db2.gz KZRAIIODXDVQAW-RXVVDRJESA-N 0 0 348.833 4.902 1 0 EJAFRN c1coc(-c2cc(-c3ccccn3)c3c(n2)-c2ccccc2OC3)c1 ZINC000072177845 216066443 /nfs/dbraw/zinc/06/64/43/216066443.db2.gz HVDIZPXSXJDLLJ-UHFFFAOYSA-N 0 0 326.355 4.963 1 0 EJAFRN O=C1NC(=O)c2c1c1c(c3sc4ccccc4c32)Cc2ccccc2-1 ZINC000035242293 202293184 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ZINC000028461109 212620080 /nfs/dbraw/zinc/62/00/80/212620080.db2.gz SLICVXSQFVFRGW-JOCHJYFZSA-N 0 0 348.527 4.645 1 0 EJAFRN CCC(CC)Nc1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C ZINC000028364253 212616637 /nfs/dbraw/zinc/61/66/37/212616637.db2.gz QPUHOBHTIWPMCU-UHFFFAOYSA-N 0 0 339.483 4.850 1 0 EJAFRN CCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027560929 212565337 /nfs/dbraw/zinc/56/53/37/212565337.db2.gz GKSPKJMGNMMELS-BMFZPTHFSA-N 0 0 346.492 4.838 1 0 EJAFRN CCCCn1nc2c3ccccc3n(CC3CCCCC3)cc-2c1=O ZINC000026645746 212527903 /nfs/dbraw/zinc/52/79/03/212527903.db2.gz ZYXOZKZTYCRBIO-UHFFFAOYSA-N 0 0 337.467 4.683 1 0 EJAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](C)[C@H](O)[C@H]21 ZINC000026008380 212503981 /nfs/dbraw/zinc/50/39/81/212503981.db2.gz SUVXTOCRTNYFMQ-YSCXQKKWSA-N 0 0 332.484 4.787 1 0 EJAFRN CCCCC[C@@H](O)c1cccc(OCc2ccccc2C(=O)OC)c1 ZINC000025986704 212503164 /nfs/dbraw/zinc/50/31/64/212503164.db2.gz UMEMKEIEUVJRJR-HXUWFJFHSA-N 0 0 342.435 4.666 1 0 EJAFRN CN1C[C@@](O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21 ZINC000073168480 216359406 /nfs/dbraw/zinc/35/94/06/216359406.db2.gz ZYLBGTMYOVOPCM-NRFANRHFSA-N 0 0 333.456 4.741 1 0 EJAFRN CCOc1ccc2nc(NC(=S)Nc3ccc(F)cc3)sc2c1 ZINC000073240330 216368125 /nfs/dbraw/zinc/36/81/25/216368125.db2.gz XTGYTVOZPDGCLB-UHFFFAOYSA-N 0 0 347.440 4.643 1 0 EJAFRN Fc1ccc(-n2cc(-c3nc4cc(Cl)ccc4o3)cn2)cc1F ZINC000058575345 202771324 /nfs/dbraw/zinc/77/13/24/202771324.db2.gz KZQUOWIUXSHGGK-UHFFFAOYSA-N 0 0 331.709 4.612 1 0 EJAFRN O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc2ccccc2o1 ZINC000001654785 201515563 /nfs/dbraw/zinc/51/55/63/201515563.db2.gz MIWUMKSCGWRGMS-ZDUSSCGKSA-N 0 0 343.251 4.672 1 0 EJAFRN O[C@H](c1nc(-c2cccc(F)c2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000061905537 202791824 /nfs/dbraw/zinc/79/18/24/202791824.db2.gz FYYXMQKWJSFSNJ-HNNXBMFYSA-N 0 0 337.181 4.604 3 0 EJAFRN Cc1ccc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)c(C)c1 ZINC000061907401 202792954 /nfs/dbraw/zinc/79/29/54/202792954.db2.gz MDTYDJNFFZMTSJ-NRFANRHFSA-N 0 0 328.415 4.928 3 0 EJAFRN CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl ZINC000006424732 201681864 /nfs/dbraw/zinc/68/18/64/201681864.db2.gz RXDMAYSSBPYBFW-RULNRJAQSA-N 0 0 334.674 4.737 1 0 in-vivo EJAFRN Oc1ccc([C@H]2C[C@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 ZINC000071295199 203091389 /nfs/dbraw/zinc/09/13/89/203091389.db2.gz LMFAEPJNNLMYSN-LEWJYISDSA-N 0 0 342.398 4.855 1 0 EJAFRN CC(C)[C@](O)(c1c[nH]cn1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000071329140 203092602 /nfs/dbraw/zinc/09/26/02/203092602.db2.gz SVOSCUAPCVQCPN-LJQANCHMSA-N 0 0 326.827 4.622 1 0 EJAFRN C[C@@]1(c2ccccc2)CCN(c2ccc(C(F)(F)F)cc2)C(=O)O1 ZINC000072114609 203163427 /nfs/dbraw/zinc/16/34/27/203163427.db2.gz NUUXEFJESCRPHO-KRWDZBQOSA-N 0 0 335.325 4.968 1 0 EJAFRN COc1cc(-c2cc3cc(C)ccc3oc2=O)ccc1Br ZINC000072122646 203163775 /nfs/dbraw/zinc/16/37/75/203163775.db2.gz DKIKMZJXGNQTBN-UHFFFAOYSA-N 0 0 345.192 4.540 1 0 EJAFRN CCCCN[P@](=O)(OCC)Oc1ccc(C(F)(F)F)cc1 ZINC000072124672 203165195 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CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)C1CCCCC1 ZINC000095581504 203764471 /nfs/dbraw/zinc/76/44/71/203764471.db2.gz RUHHXJQKGOCGPA-UHFFFAOYSA-N 0 0 341.476 4.755 1 0 EJAFRN CC[C@H](C(=O)NC(C)(C)C)n1c2ccccc2nc1-c1ccccc1 ZINC000095599800 203765077 /nfs/dbraw/zinc/76/50/77/203765077.db2.gz JEFGEFUQYQAFHQ-QGZVFWFLSA-N 0 0 335.451 4.569 3 0 EJAFRN COc1cccc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101955263 204027132 /nfs/dbraw/zinc/02/71/32/204027132.db2.gz LCYJQZZWIZRKTC-QGZVFWFLSA-N 0 0 337.423 4.577 1 0 EJAFRN Cc1ccc2cc([C@@H]3CC(c4ccsc4)=NN3)c(Cl)nc2c1 ZINC000103213682 204067000 /nfs/dbraw/zinc/06/70/00/204067000.db2.gz MOVVJDYKMPQOCF-INIZCTEOSA-N 0 0 327.840 4.697 1 0 EJAFRN Fc1cccc(F)c1C1=N[C@H](c2ccc(Cl)cc2Cl)CO1 ZINC000103283121 204072279 /nfs/dbraw/zinc/07/22/79/204072279.db2.gz LATGYPXZGGDQMI-ZDUSSCGKSA-N 0 0 328.145 4.790 1 0 EJAFRN CC[C@]1(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl ZINC000103289894 204073695 /nfs/dbraw/zinc/07/36/95/204073695.db2.gz AEATYSHERPJELM-FIXISWKDSA-N 0 0 348.701 4.607 1 0 EJAFRN Cc1cc(C)c(Oc2nc(C)cc(O[C@H]3CCOC3)c2C)c(C)c1 ZINC000014975018 211781935 /nfs/dbraw/zinc/78/19/35/211781935.db2.gz VLYZKJBTVCEEAQ-KRWDZBQOSA-N 0 0 327.424 4.584 1 0 EJAFRN CCCCN(CCCC)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000014968255 211779455 /nfs/dbraw/zinc/77/94/55/211779455.db2.gz GYHXZEJJZDZUEW-UHFFFAOYSA-N 0 0 340.389 4.954 1 0 EJAFRN CCC(O)(CC)c1ccc2cc(-c3n[nH]c4ccsc43)[nH]c2c1 ZINC000084617679 217621680 /nfs/dbraw/zinc/62/16/80/217621680.db2.gz OHAIFZDRLDEOAC-UHFFFAOYSA-N 0 0 325.437 4.780 1 0 EJAFRN Oc1ccc(C2=Cc3cc(O)ccc3C23Cc2ccccc2C3)cc1 ZINC000013487452 211566244 /nfs/dbraw/zinc/56/62/44/211566244.db2.gz NRJDKQAGGSKGKV-UHFFFAOYSA-N 0 0 326.395 4.689 1 0 in-vivo EJAFRN Clc1ccc([C@@H](Cc2ccncc2)c2ccc3c(c2)OCO3)cc1 ZINC000013442074 211557742 /nfs/dbraw/zinc/55/77/42/211557742.db2.gz FEKRQSLXQVPZGO-GOSISDBHSA-N 0 0 337.806 4.838 1 0 EJAFRN CC(C)(C)c1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1 ZINC000169306622 206549474 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O=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000005002466 210356808 /nfs/dbraw/zinc/35/68/08/210356808.db2.gz ZHMWAECVOGMYGO-AOHZBQACSA-N 0 0 341.454 4.890 1 0 EJAFRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C=C[C@H]1c1ccccc1 ZINC000052566335 132184315 /nfs/dbraw/zinc/18/43/15/132184315.db2.gz DLBCGNPDEBTJCD-FQEVSTJZSA-N 0 0 333.431 4.950 1 0 EJAFRN CCOC(=O)C1=C(C)N(c2ccc(F)cc2)C=C[C@@H]1c1ccccc1 ZINC000052566337 132184543 /nfs/dbraw/zinc/18/45/43/132184543.db2.gz LEIGELMLUJTFIP-LJQANCHMSA-N 0 0 337.394 4.780 1 0 EJAFRN Cc1cc(C(=O)c2cc(N)ccc2N2CCC(C)CC2)cc(C)c1C ZINC000029320122 135743062 /nfs/dbraw/zinc/74/30/62/135743062.db2.gz QDRSNQOUPOVJMN-UHFFFAOYSA-N 0 0 336.479 4.661 1 0 EJAFRN COc1ccc(-c2cc3ccccc3nc2[C@@H](O)c2ccccc2)cc1 ZINC000169312326 226240150 /nfs/dbraw/zinc/24/01/50/226240150.db2.gz UMHOBILJFFBLIY-QHCPKHFHSA-N 0 0 341.410 4.992 1 0 EJAFRN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000003872490 560190996 /nfs/dbraw/zinc/19/09/96/560190996.db2.gz 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