smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](c2ccncn2)C1 ZINC000217619395 241263741 /nfs/dbraw/zinc/26/37/41/241263741.db2.gz JHDYDGZYZHRQPT-OAHLLOKOSA-N 0 0 341.480 3.827 50 70 EHIARN Cc1n[nH]c(C)c1CCNC(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000217698279 241270640 /nfs/dbraw/zinc/27/06/40/241270640.db2.gz VJGXYDNRXQOZKW-OAQYLSRUSA-N 0 0 337.467 3.587 50 70 EHIARN C[C@@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000217986024 241289987 /nfs/dbraw/zinc/28/99/87/241289987.db2.gz WAQMKTNOWYFOQH-MRXNPFEDSA-N 0 0 335.812 3.785 50 70 EHIARN Nc1n[nH]c(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1Cl ZINC000218163778 241302267 /nfs/dbraw/zinc/30/22/67/241302267.db2.gz LCUGXCRWFKZFBB-GFCCVEGCSA-N 0 0 336.798 3.542 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(F)cc1Cl)CC(=O)O2 ZINC000218342650 534883497 /nfs/dbraw/zinc/88/34/97/534883497.db2.gz BXJVWRMVMNAEST-GFCCVEGCSA-N 0 0 334.730 3.828 50 70 EHIARN CC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1nc(C)c(C)s1 ZINC000218179666 535788075 /nfs/dbraw/zinc/78/80/75/535788075.db2.gz NFNNTDVGEDMXRJ-CYBMUJFWSA-N 0 0 338.860 3.929 50 70 EHIARN COC[C@@H]1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)o2)C1 ZINC000218355605 536772478 /nfs/dbraw/zinc/77/24/78/536772478.db2.gz WDFRGZAPGZGIPS-OAHLLOKOSA-N 0 0 345.464 3.989 50 70 EHIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1Cl ZINC000217884062 241280809 /nfs/dbraw/zinc/28/08/09/241280809.db2.gz NKBYFEHDXNYVNL-UHFFFAOYSA-N 0 0 331.828 3.695 50 70 EHIARN CCCO[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000218576395 241331966 /nfs/dbraw/zinc/33/19/66/241331966.db2.gz LMWGMEPGGPYWNC-CQSZACIVSA-N 0 0 329.362 3.666 50 70 EHIARN CC(C)(C)n1ccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000218309468 534960545 /nfs/dbraw/zinc/96/05/45/534960545.db2.gz PHGFPGOGCHWWJD-GOSISDBHSA-N 0 0 336.439 3.611 50 70 EHIARN O=C(c1cncc(F)c1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000160079921 564063063 /nfs/dbraw/zinc/06/30/63/564063063.db2.gz JFFFJOOSKWRXPR-UHFFFAOYSA-N 0 0 325.318 3.602 50 70 EHIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000217589972 241260852 /nfs/dbraw/zinc/26/08/52/241260852.db2.gz VAVCDPVVWKPDFU-FOSCPWQOSA-N 0 0 333.482 3.637 50 70 EHIARN O=C(NCc1cncc(-c2ccsc2)c1)c1cc(C2CC2)on1 ZINC000217690927 241267200 /nfs/dbraw/zinc/26/72/00/241267200.db2.gz CYTAVVRQCKPKRB-UHFFFAOYSA-N 0 0 325.393 3.606 50 70 EHIARN O=C(NCCSC1CCOCC1)Nc1ccccc1C(F)(F)F ZINC000217709029 241269597 /nfs/dbraw/zinc/26/95/97/241269597.db2.gz VLLRYWWAESXSRX-UHFFFAOYSA-N 0 0 348.390 3.739 50 70 EHIARN Cc1cc(OC(C)(C)C(=O)N(C)Cc2cnccn2)cc(C)c1Cl ZINC000217046574 241232994 /nfs/dbraw/zinc/23/29/94/241232994.db2.gz CDPFKBQWOYMRSR-UHFFFAOYSA-N 0 0 347.846 3.563 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@H](c1cccc(OC(F)F)c1)CC(=O)O2 ZINC000218413846 534883804 /nfs/dbraw/zinc/88/38/04/534883804.db2.gz IYFOUERVHUPCJR-ZDUSSCGKSA-N 0 0 348.301 3.637 50 70 EHIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(-n2cccc2)nc1C ZINC000217705269 564124152 /nfs/dbraw/zinc/12/41/52/564124152.db2.gz AGGZBEZUXVTXQU-PBWFPOADSA-N 0 0 347.509 3.741 50 70 EHIARN Cc1[nH]c2ccccc2c1CC(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217035905 241233639 /nfs/dbraw/zinc/23/36/39/241233639.db2.gz YXDYUJYLFDTVAB-UHFFFAOYSA-N 0 0 344.418 3.521 50 70 EHIARN O=C(Nc1ccccc1F)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217817700 241276429 /nfs/dbraw/zinc/27/64/29/241276429.db2.gz ZRMILADGKAIDFO-LBPRGKRZSA-N 0 0 344.390 3.573 50 70 EHIARN O=C(NCCOc1ccccc1)NCC1(c2ccsc2)CCCC1 ZINC000217487023 241252863 /nfs/dbraw/zinc/25/28/63/241252863.db2.gz QGCNBTRMUGOMFZ-UHFFFAOYSA-N 0 0 344.480 3.938 50 70 EHIARN C[N@H+]([C@@H](c1ccsc1)c1sc2ncnn2c1[O-])C1CCCCC1 ZINC000218503503 241326087 /nfs/dbraw/zinc/32/60/87/241326087.db2.gz PYXWYWJFBNEJIS-ZDUSSCGKSA-N 0 0 348.497 3.912 50 70 EHIARN COc1cccc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c1 ZINC000218357607 241318319 /nfs/dbraw/zinc/31/83/19/241318319.db2.gz GGTLVBGXTAZFFG-SFHVURJKSA-N 0 0 337.423 3.709 50 70 EHIARN Cc1ccccc1[C@H](NC(=O)Cc1ccccc1F)c1ccncc1 ZINC000218776354 241346158 /nfs/dbraw/zinc/34/61/58/241346158.db2.gz LLTSJBZWRAMCFT-OAQYLSRUSA-N 0 0 334.394 3.977 50 70 EHIARN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccccn1 ZINC000160296757 206290203 /nfs/dbraw/zinc/29/02/03/206290203.db2.gz MWRXKIYQHBLBTB-HNNXBMFYSA-N 0 0 346.862 3.873 50 70 EHIARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2-c2ccncc2)[nH]n1 ZINC000160257920 564072885 /nfs/dbraw/zinc/07/28/85/564072885.db2.gz YUWNELMMMSXLPJ-CYBMUJFWSA-N 0 0 335.411 3.533 50 70 EHIARN COc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C)n1 ZINC000161220512 564119594 /nfs/dbraw/zinc/11/95/94/564119594.db2.gz VCEHZAXYMRPPNG-UHFFFAOYSA-N 0 0 328.265 3.809 50 70 EHIARN CSc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2cccs2)cc1 ZINC000217581490 241260766 /nfs/dbraw/zinc/26/07/66/241260766.db2.gz WAKJRNBFCPWGFU-PYUISTEWSA-N 0 0 333.478 3.507 50 70 EHIARN O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1c1ccccn1 ZINC000216957879 241226998 /nfs/dbraw/zinc/22/69/98/241226998.db2.gz JGIHMJZRQULXFX-QGZVFWFLSA-N 0 0 338.436 3.901 50 70 EHIARN O=C(c1cccc(-c2ccco2)c1)N1CCC(c2ccncn2)CC1 ZINC000217152824 241239588 /nfs/dbraw/zinc/23/95/88/241239588.db2.gz VBMVPFDOWHHGHL-UHFFFAOYSA-N 0 0 333.391 3.756 50 70 EHIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1Cl ZINC000217884527 241281646 /nfs/dbraw/zinc/28/16/46/241281646.db2.gz CJDQOEALUSVSCW-UHFFFAOYSA-N 0 0 349.818 3.834 50 70 EHIARN Cn1cccc1[C@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000217951384 241285484 /nfs/dbraw/zinc/28/54/84/241285484.db2.gz SAYHOCWMOKNLNF-CQSZACIVSA-N 0 0 342.226 3.577 50 70 EHIARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000218041535 241293558 /nfs/dbraw/zinc/29/35/58/241293558.db2.gz XBLCPVDYLZUTJY-SFHVURJKSA-N 0 0 337.423 3.987 50 70 EHIARN COc1ccccc1C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C ZINC000218300971 537001100 /nfs/dbraw/zinc/00/11/00/537001100.db2.gz FNZFDBWPCYITRC-SFHVURJKSA-N 0 0 337.423 3.709 50 70 EHIARN Cc1ccc2c(c1)[C@@H](NC(=O)c1cnn(CC(C)C)c1C1CC1)CO2 ZINC000160332487 564074888 /nfs/dbraw/zinc/07/48/88/564074888.db2.gz RBHNIICVWGHWMB-KRWDZBQOSA-N 0 0 339.439 3.588 50 70 EHIARN C[C@](O)(CNC(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000217580399 241260396 /nfs/dbraw/zinc/26/03/96/241260396.db2.gz HYEBHZMULDWJSD-KRWDZBQOSA-N 0 0 344.461 3.509 50 70 EHIARN O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@H]1c1ccccc1F ZINC000217630414 241265569 /nfs/dbraw/zinc/26/55/69/241265569.db2.gz ZYUSVBMYXFQIDB-INIZCTEOSA-N 0 0 346.383 3.834 50 70 EHIARN [O-]c1c([C@H](c2ccsc2)[NH+]2CCCCCC2)sc2ncnn12 ZINC000218471485 241325105 /nfs/dbraw/zinc/32/51/05/241325105.db2.gz BHCDLWPLNKPDMV-LBPRGKRZSA-N 0 0 334.470 3.523 50 70 EHIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1cc2ccccc2o1 ZINC000217885727 241280825 /nfs/dbraw/zinc/28/08/25/241280825.db2.gz IPGQWHDGMXBNPK-UHFFFAOYSA-N 0 0 337.404 3.788 50 70 EHIARN Cc1nc(C)c(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)s1 ZINC000218317479 241315050 /nfs/dbraw/zinc/31/50/50/241315050.db2.gz ZLWBCQBWPBWKAL-HNNXBMFYSA-N 0 0 342.468 3.774 50 70 EHIARN COC(=O)c1ccc(C(=O)N2CCS[C@@H]2c2cccc(F)c2)cc1 ZINC000217634364 536615141 /nfs/dbraw/zinc/61/51/41/536615141.db2.gz PSAOTBJIMRVLQX-QGZVFWFLSA-N 0 0 345.395 3.500 50 70 EHIARN COc1ccc([C@H]2SCCN2C(=O)NCc2cccs2)cc1 ZINC000217629319 536946475 /nfs/dbraw/zinc/94/64/75/536946475.db2.gz XGVOHWJGFJQCRC-OAHLLOKOSA-N 0 0 334.466 3.714 50 70 EHIARN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)C2)c1 ZINC000160436385 564081649 /nfs/dbraw/zinc/08/16/49/564081649.db2.gz UUHYNTPLBNOTSV-CYBMUJFWSA-N 0 0 349.356 3.742 50 70 EHIARN Cc1nc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)cs1 ZINC000217841815 241278582 /nfs/dbraw/zinc/27/85/82/241278582.db2.gz XGDYZPYAVYLLBV-IBGZPJMESA-N 0 0 326.465 3.970 50 70 EHIARN C[C@H](C(=O)NCc1cnn(C)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000217851812 241279263 /nfs/dbraw/zinc/27/92/63/241279263.db2.gz TZFBNPJUVNOVKT-AWEZNQCLSA-N 0 0 337.398 3.646 50 70 EHIARN COC[C@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000218712406 241340324 /nfs/dbraw/zinc/34/03/24/241340324.db2.gz KRGLUBQLXOYHJV-NOZJJQNGSA-N 0 0 335.753 3.904 50 70 EHIARN O=C(Nc1cccc2[nH]ccc21)Nc1ccccc1O[C@@H]1CCOC1 ZINC000159399466 206244686 /nfs/dbraw/zinc/24/46/86/206244686.db2.gz LQXQZCGNUZWMBQ-CYBMUJFWSA-N 0 0 337.379 3.980 50 70 EHIARN C[C@H]1CCO[C@@H]1C(=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000160853870 564088825 /nfs/dbraw/zinc/08/88/25/564088825.db2.gz JYOQGCYQIAQKNM-GTNSWQLSSA-N 0 0 339.347 3.620 50 70 EHIARN Cn1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)n1 ZINC000161260527 564120671 /nfs/dbraw/zinc/12/06/71/564120671.db2.gz SCLOGTZGXIHLLQ-UHFFFAOYSA-N 0 0 343.774 3.905 50 70 EHIARN O=C(NCCSC1CCOCC1)C1(c2cccs2)CCCC1 ZINC000217702169 241271512 /nfs/dbraw/zinc/27/15/12/241271512.db2.gz YJYASLBQNHWRFJ-UHFFFAOYSA-N 0 0 339.526 3.588 50 70 EHIARN C[C@@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2s1 ZINC000217521774 241254866 /nfs/dbraw/zinc/25/48/66/241254866.db2.gz YQPHRYZVSDSWAD-QGZVFWFLSA-N 0 0 346.477 3.670 50 70 EHIARN COc1cccc2ccn(CCC(=O)Nc3nnc(C(C)C)s3)c21 ZINC000218297822 241313610 /nfs/dbraw/zinc/31/36/10/241313610.db2.gz YFFVUAZMGVKCAQ-UHFFFAOYSA-N 0 0 344.440 3.654 50 70 EHIARN CC(C)c1sc(Cl)nc1C(=O)NCc1nc2ccccc2[nH]1 ZINC000218347413 241315277 /nfs/dbraw/zinc/31/52/77/241315277.db2.gz HQRZCJXRRWNHMN-UHFFFAOYSA-N 0 0 334.832 3.726 50 70 EHIARN CSc1nc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cs1 ZINC000218783188 241345523 /nfs/dbraw/zinc/34/55/23/241345523.db2.gz CPLIUEYYGQQEOV-CQSZACIVSA-N 0 0 348.493 3.686 50 70 EHIARN Cc1ccc(SCCn2cc(CCO)c(C(F)(F)F)n2)cc1C ZINC000159466918 206247697 /nfs/dbraw/zinc/24/76/97/206247697.db2.gz QUOUROCZRRCGAM-UHFFFAOYSA-N 0 0 344.402 3.846 50 70 EHIARN COc1ccc([C@@H]2SCCN2C(=O)NCc2cccs2)cc1 ZINC000217629403 241264819 /nfs/dbraw/zinc/26/48/19/241264819.db2.gz XGVOHWJGFJQCRC-HNNXBMFYSA-N 0 0 334.466 3.714 50 70 EHIARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccco2)cc1 ZINC000218182725 241303209 /nfs/dbraw/zinc/30/32/09/241303209.db2.gz HVPLEQYHTQXBRK-KRWDZBQOSA-N 0 0 349.386 3.859 50 70 EHIARN O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000218311591 241313619 /nfs/dbraw/zinc/31/36/19/241313619.db2.gz DSHFPXMVEDWCRB-NXHRZFHOSA-N 0 0 344.842 3.561 50 70 EHIARN CC(C)n1cccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000160099844 257955805 /nfs/dbraw/zinc/95/58/05/257955805.db2.gz TWFRBOMHISURDK-UHFFFAOYSA-N 0 0 345.830 3.867 50 70 EHIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000217704972 564158259 /nfs/dbraw/zinc/15/82/59/564158259.db2.gz MRNRVSGLLQQWOK-YIONKMFJSA-N 0 0 345.443 3.714 50 70 EHIARN O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(=O)oc3ccccc3c2O1 ZINC000217617564 241262151 /nfs/dbraw/zinc/26/21/51/241262151.db2.gz XKLLSYUXXITVSP-HNNXBMFYSA-N 0 0 346.338 3.662 50 70 biogenic EHIARN C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(C3CCCC3)s1)C2 ZINC000217196262 241242584 /nfs/dbraw/zinc/24/25/84/241242584.db2.gz SHWVWHIHEIKAFE-ZDUSSCGKSA-N 0 0 331.485 3.671 50 70 EHIARN CCCc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cs1 ZINC000218421834 241322191 /nfs/dbraw/zinc/32/21/91/241322191.db2.gz WESXEAGFJUWRAG-KRWDZBQOSA-N 0 0 344.480 3.917 50 70 EHIARN Cn1cc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 ZINC000218127881 241300367 /nfs/dbraw/zinc/30/03/67/241300367.db2.gz LFMVOHORPCOJKA-IBGZPJMESA-N 0 0 333.435 3.870 50 70 biogenic EHIARN COC[C@@H]1CCN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C1 ZINC000218110444 536772965 /nfs/dbraw/zinc/77/29/65/536772965.db2.gz FYMNERBPHQPFMX-QGZVFWFLSA-N 0 0 341.426 3.833 50 70 EHIARN O=C(Cc1cc(F)c(F)cc1F)NC1(c2nccs2)CCCC1 ZINC000160460191 564081663 /nfs/dbraw/zinc/08/16/63/564081663.db2.gz VCNBFMDMFXKPLP-UHFFFAOYSA-N 0 0 340.370 3.689 50 70 EHIARN Cc1noc(-c2ccsc2NC(=O)CSCc2ccccc2)n1 ZINC000217648879 241265943 /nfs/dbraw/zinc/26/59/43/241265943.db2.gz HVPJXRKSSIPPRM-UHFFFAOYSA-N 0 0 345.449 3.978 50 70 EHIARN O=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1cccc(F)c1 ZINC000217634559 241266236 /nfs/dbraw/zinc/26/62/36/241266236.db2.gz XNMSMAQVDJLLMV-MRXNPFEDSA-N 0 0 345.424 3.718 50 70 EHIARN CC[C@H](NC(=O)c1csc2c1CCCC2)c1cn2cccnc2n1 ZINC000217786292 241275011 /nfs/dbraw/zinc/27/50/11/241275011.db2.gz HBAVXMAUGSCUOM-AWEZNQCLSA-N 0 0 340.452 3.551 50 70 EHIARN O=C(OCc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217815992 241277916 /nfs/dbraw/zinc/27/79/16/241277916.db2.gz MQDBULLGWLPRHC-OAHLLOKOSA-N 0 0 341.411 3.538 50 70 EHIARN O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2c(=O)oc3ccccc3c2O1 ZINC000217843275 241279487 /nfs/dbraw/zinc/27/94/87/241279487.db2.gz HVBZCVDEAYTKIE-NSHDSACASA-N 0 0 342.734 3.593 50 70 biogenic EHIARN O=C1C[C@@H](c2ccccc2)c2c(ccc3c(=O)c(Cl)coc32)O1 ZINC000217891948 241281595 /nfs/dbraw/zinc/28/15/95/241281595.db2.gz OYMONFDPDYQRRR-LBPRGKRZSA-N 0 0 326.735 3.887 50 70 biogenic EHIARN Fc1cc(F)c2nccc(N3CCC(OC[C@H]4CCOC4)CC3)c2c1 ZINC000160316815 206290565 /nfs/dbraw/zinc/29/05/65/206290565.db2.gz QJTFBBPBRKPIEJ-ZDUSSCGKSA-N 0 0 348.393 3.535 50 70 EHIARN COC(=O)c1ccc(C(=O)N2CCS[C@H]2c2cccc(F)c2)cc1 ZINC000217634451 536615235 /nfs/dbraw/zinc/61/52/35/536615235.db2.gz PSAOTBJIMRVLQX-KRWDZBQOSA-N 0 0 345.395 3.500 50 70 EHIARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1CCc2ccccc2C1 ZINC000217204072 241241403 /nfs/dbraw/zinc/24/14/03/241241403.db2.gz QDECBONEBBKDOE-FQEVSTJZSA-N 0 0 345.446 3.636 50 70 EHIARN Cc1noc2nc3c(c(C(=O)NCc4cccc(Cl)c4)c12)CCC3 ZINC000218126267 241300668 /nfs/dbraw/zinc/30/06/68/241300668.db2.gz QQKSGJOUXHUSFX-UHFFFAOYSA-N 0 0 341.798 3.603 50 70 EHIARN COCCn1cc(CCCC(=O)Nc2ccccn2)c2ccccc21 ZINC000218269982 241311439 /nfs/dbraw/zinc/31/14/39/241311439.db2.gz YHQCFQDBKFJHKD-UHFFFAOYSA-N 0 0 337.423 3.644 50 70 EHIARN O=C(Nc1ccc2[nH]ccc2c1)c1ccnc(OCC(F)(F)F)c1 ZINC000159711644 206259421 /nfs/dbraw/zinc/25/94/21/206259421.db2.gz FUBOFBGTVTZVRW-UHFFFAOYSA-N 0 0 335.285 3.756 50 70 EHIARN O=C(c1ccccc1Cl)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217808029 241274208 /nfs/dbraw/zinc/27/42/08/241274208.db2.gz PVZAOJQNLLZSFR-GFCCVEGCSA-N 0 0 345.830 3.695 50 70 EHIARN C[C@@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2s1 ZINC000217500597 241254666 /nfs/dbraw/zinc/25/46/66/241254666.db2.gz OTAMESIXVGMCLZ-GOSISDBHSA-N 0 0 347.386 3.817 50 70 EHIARN Cc1ccccc1[C@@H](NC(=O)Cc1ccccc1F)c1ccncc1 ZINC000218776257 241346522 /nfs/dbraw/zinc/34/65/22/241346522.db2.gz LLTSJBZWRAMCFT-NRFANRHFSA-N 0 0 334.394 3.977 50 70 EHIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c2ccccc12 ZINC000218119353 536937095 /nfs/dbraw/zinc/93/70/95/536937095.db2.gz IQTBQDSEIXLMGR-OAHLLOKOSA-N 0 0 336.343 3.551 50 70 biogenic EHIARN COc1ccccc1[C@H]1CCCN1C(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000217041425 241234111 /nfs/dbraw/zinc/23/41/11/241234111.db2.gz NJLMAJLBTNQSHH-MRXNPFEDSA-N 0 0 340.423 3.820 50 70 EHIARN C[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1 ZINC000217499872 241252770 /nfs/dbraw/zinc/25/27/70/241252770.db2.gz JADSURABKXWRFD-IBGZPJMESA-N 0 0 343.423 3.607 50 70 EHIARN Cc1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(C)n1C ZINC000218541360 241330842 /nfs/dbraw/zinc/33/08/42/241330842.db2.gz DEKFSOLOHZITOJ-UHFFFAOYSA-N 0 0 328.431 3.876 50 70 EHIARN Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3)CCCCC2)[nH]n1 ZINC000218703902 241338322 /nfs/dbraw/zinc/33/83/22/241338322.db2.gz PSRUCFIRGJCTLW-OAHLLOKOSA-N 0 0 325.456 3.667 50 70 EHIARN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccccn1 ZINC000160296878 206289997 /nfs/dbraw/zinc/28/99/97/206289997.db2.gz MWRXKIYQHBLBTB-OAHLLOKOSA-N 0 0 346.862 3.873 50 70 EHIARN c1ccc(-c2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1 ZINC000169817110 226586517 /nfs/dbraw/zinc/58/65/17/226586517.db2.gz CHLHVMLLEOAIAL-UHFFFAOYSA-N 0 0 336.510 3.602 50 70 EHIARN Cc1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)cnn1CC(C)C ZINC000159423951 564035236 /nfs/dbraw/zinc/03/52/36/564035236.db2.gz ZYVRKWURHXUHJN-UHFFFAOYSA-N 0 0 341.333 3.840 50 70 EHIARN CCCc1cc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cs1 ZINC000218421772 241321825 /nfs/dbraw/zinc/32/18/25/241321825.db2.gz WESXEAGFJUWRAG-QGZVFWFLSA-N 0 0 344.480 3.917 50 70 EHIARN COC(=O)C[C@H](c1cccc2ccccc21)c1c(O)cc(C)oc1=O ZINC000217973946 241288076 /nfs/dbraw/zinc/28/80/76/241288076.db2.gz ODQQYIFGCCCACJ-MRXNPFEDSA-N 0 0 338.359 3.502 50 70 biogenic EHIARN O=C(CCc1ccc2c(c1)CCO2)N1CCCC[C@H]1c1cccnc1 ZINC000218065884 241296305 /nfs/dbraw/zinc/29/63/05/241296305.db2.gz JJJVTNLLFHGZLC-IBGZPJMESA-N 0 0 336.435 3.703 50 70 biogenic EHIARN O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@H]1c1cccnc1 ZINC000218125771 241300532 /nfs/dbraw/zinc/30/05/32/241300532.db2.gz SJUGUQWBEFVIAZ-KRWDZBQOSA-N 0 0 338.436 3.901 50 70 biogenic EHIARN Cc1scc(C(=O)N[C@@H](C)Cc2cnccn2)c1-c1ccccc1 ZINC000218410817 241319804 /nfs/dbraw/zinc/31/98/04/241319804.db2.gz RGTRYEBMIGOPTI-ZDUSSCGKSA-N 0 0 337.448 3.875 50 70 EHIARN CCc1cc(=O)[nH]c(CN[C@H](c2ccccc2)c2ccc(C)cc2)n1 ZINC000160544214 564081998 /nfs/dbraw/zinc/08/19/98/564081998.db2.gz CSFSUUKBMSTRPC-OAQYLSRUSA-N 0 0 333.435 3.932 50 70 EHIARN Cc1ncsc1CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000216959913 241227500 /nfs/dbraw/zinc/22/75/00/241227500.db2.gz UGRQYYVYYHVYIR-LLVKDONJSA-N 0 0 334.510 3.953 50 70 EHIARN C[C@@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2s1 ZINC000217498967 241252844 /nfs/dbraw/zinc/25/28/44/241252844.db2.gz SRUWFESMBNDQIN-YVNCXZRQSA-N 0 0 337.444 3.938 50 70 EHIARN COc1ccccc1[C@H]1CCCN1C(=O)CCCn1nc(C)cc1C ZINC000218011784 241291879 /nfs/dbraw/zinc/29/18/79/241291879.db2.gz DDJMISXNNZDNGQ-GOSISDBHSA-N 0 0 341.455 3.652 50 70 EHIARN CSc1ccccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000218267199 241309737 /nfs/dbraw/zinc/30/97/37/241309737.db2.gz CJWNRAGEJNWRSK-MRXNPFEDSA-N 0 0 342.464 3.625 50 70 EHIARN O=C(NCc1nc(C2CCCCC2)no1)c1sccc1Cl ZINC000218769931 241343738 /nfs/dbraw/zinc/34/37/38/241343738.db2.gz TZZUXXYRGFPFQJ-UHFFFAOYSA-N 0 0 325.821 3.762 50 70 EHIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2OC(C)(C)C)[nH]n1 ZINC000160403743 564079375 /nfs/dbraw/zinc/07/93/75/564079375.db2.gz QBUPXOYNTIXSHO-LBPRGKRZSA-N 0 0 330.432 3.648 50 70 EHIARN COc1ccc(CCC(=O)Nc2sccc2-c2nc(C)no2)cc1 ZINC000217649304 241264513 /nfs/dbraw/zinc/26/45/13/241264513.db2.gz QKINBXPQLMEKRT-UHFFFAOYSA-N 0 0 343.408 3.686 50 70 EHIARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000217204065 241242362 /nfs/dbraw/zinc/24/23/62/241242362.db2.gz QDECBONEBBKDOE-HXUWFJFHSA-N 0 0 345.446 3.636 50 70 EHIARN CCSc1nc(CC(=O)N2CCCC[C@@H]2c2ccccn2)cs1 ZINC000217341339 241244650 /nfs/dbraw/zinc/24/46/50/241244650.db2.gz UANBBZGOEZZZKT-OAHLLOKOSA-N 0 0 347.509 3.946 50 70 EHIARN CC(C)(C)C[C@H](NC(=O)CSc1ccccn1)c1cccnc1 ZINC000218703809 241339520 /nfs/dbraw/zinc/33/95/20/241339520.db2.gz CUCJNWQUCIYQJN-HNNXBMFYSA-N 0 0 329.469 3.862 50 70 EHIARN Cc1ccc(NC(=O)Nc2cnn(CC3CCOCC3)c2)cc1C ZINC000218235582 564057815 /nfs/dbraw/zinc/05/78/15/564057815.db2.gz WIXIHXUDBPXODL-UHFFFAOYSA-N 0 0 328.416 3.571 50 70 EHIARN O=C(CCc1cccc(Cl)c1)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000217578369 241260569 /nfs/dbraw/zinc/26/05/69/241260569.db2.gz CUBYVYXPDYDLEF-HXUWFJFHSA-N 0 0 343.854 3.687 50 70 EHIARN Cc1nc([C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)no1 ZINC000217727665 241273196 /nfs/dbraw/zinc/27/31/96/241273196.db2.gz RCKAGKPBVZPUHD-MRXNPFEDSA-N 0 0 337.379 3.658 50 70 EHIARN Cc1cc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)c(C)o1 ZINC000217498400 241253642 /nfs/dbraw/zinc/25/36/42/241253642.db2.gz LBSOIQISIYPXMO-SFHVURJKSA-N 0 0 329.421 3.749 50 70 EHIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc(Cl)s1 ZINC000217888189 241282103 /nfs/dbraw/zinc/28/21/03/241282103.db2.gz UFSQLAAYHXQXOA-UHFFFAOYSA-N 0 0 337.857 3.757 50 70 EHIARN Cn1cccc1[C@@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000217951464 241285823 /nfs/dbraw/zinc/28/58/23/241285823.db2.gz SAYHOCWMOKNLNF-AWEZNQCLSA-N 0 0 342.226 3.577 50 70 EHIARN Cc1ccc(OCc2ccc(C(=O)N(C)Cc3cnccn3)cc2)cc1 ZINC000218076382 241295672 /nfs/dbraw/zinc/29/56/72/241295672.db2.gz NNUQWSGBYHPKIM-UHFFFAOYSA-N 0 0 347.418 3.636 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc(F)cc1Cl)CC(=O)O2 ZINC000218342569 534883970 /nfs/dbraw/zinc/88/39/70/534883970.db2.gz BXJVWRMVMNAEST-LBPRGKRZSA-N 0 0 334.730 3.828 50 70 EHIARN O[C@@H](C[C@@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 ZINC000161176526 564118807 /nfs/dbraw/zinc/11/88/07/564118807.db2.gz OAHZUPZAXFDBQK-IRXDYDNUSA-N 0 0 327.403 3.586 50 70 EHIARN Cc1nc([C@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)no1 ZINC000217727736 241272862 /nfs/dbraw/zinc/27/28/62/241272862.db2.gz RCKAGKPBVZPUHD-INIZCTEOSA-N 0 0 337.379 3.658 50 70 EHIARN CN(CC[C@H]1CCCCO1)C(=O)C(C)(C)Oc1ccc2c(c1)CCC2 ZINC000217787877 241274715 /nfs/dbraw/zinc/27/47/15/241274715.db2.gz JRZCQYRJBIMVDM-GOSISDBHSA-N 0 0 345.483 3.750 50 70 EHIARN C[C@@](O)(CNC(=O)CSC1CCCC1)c1cc2ccccc2s1 ZINC000217500966 241255763 /nfs/dbraw/zinc/25/57/63/241255763.db2.gz RJCBPYJETTXORY-GOSISDBHSA-N 0 0 349.521 3.901 50 70 EHIARN O=C(NCC[C@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1 ZINC000217534057 241257065 /nfs/dbraw/zinc/25/70/65/241257065.db2.gz XNZOFWCSOGDYTL-ZDUSSCGKSA-N 0 0 345.342 3.500 50 70 EHIARN Cn1nc(CN(C(=O)c2ccccc2F)C2CCCC2)c2c1CCC2 ZINC000217908785 241283064 /nfs/dbraw/zinc/28/30/64/241283064.db2.gz QCOXRXHBRYDLJU-UHFFFAOYSA-N 0 0 341.430 3.633 50 70 EHIARN COC[C@H]1CCN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C1 ZINC000218110531 241297363 /nfs/dbraw/zinc/29/73/63/241297363.db2.gz FYMNERBPHQPFMX-KRWDZBQOSA-N 0 0 341.426 3.833 50 70 EHIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)c2ccccc12 ZINC000218119256 241300653 /nfs/dbraw/zinc/30/06/53/241300653.db2.gz IQTBQDSEIXLMGR-HNNXBMFYSA-N 0 0 336.343 3.551 50 70 biogenic EHIARN CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1 ZINC000218308880 241312333 /nfs/dbraw/zinc/31/23/33/241312333.db2.gz WYWXTMABPFZMGR-AWEZNQCLSA-N 0 0 328.389 3.758 50 70 EHIARN Cc1ccc2c(c1)[C@H](NC(=O)c1cnn(CC(C)C)c1C1CC1)CO2 ZINC000160332367 564074890 /nfs/dbraw/zinc/07/48/90/564074890.db2.gz RBHNIICVWGHWMB-QGZVFWFLSA-N 0 0 339.439 3.588 50 70 EHIARN O=C(NCCSC1CCOCC1)c1cc2cc(F)ccc2s1 ZINC000217704553 241269422 /nfs/dbraw/zinc/26/94/22/241269422.db2.gz ARBFDXBBCHVYHY-UHFFFAOYSA-N 0 0 339.457 3.682 50 70 EHIARN CN(Cc1nc2ccccc2s1)C(=O)CCc1cc(Cl)no1 ZINC000217017311 241231378 /nfs/dbraw/zinc/23/13/78/241231378.db2.gz LCJOCUKTQWCFAT-UHFFFAOYSA-N 0 0 335.816 3.529 50 70 EHIARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccco2)cc1 ZINC000218182651 241304381 /nfs/dbraw/zinc/30/43/81/241304381.db2.gz HVPLEQYHTQXBRK-QGZVFWFLSA-N 0 0 349.386 3.859 50 70 EHIARN COc1ccc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)cc1 ZINC000218373665 241318148 /nfs/dbraw/zinc/31/81/48/241318148.db2.gz FFNIHSOZUUPLQB-SFHVURJKSA-N 0 0 337.423 3.709 50 70 EHIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc2ccccc2s1 ZINC000218233215 564057818 /nfs/dbraw/zinc/05/78/18/564057818.db2.gz FNGLXLGHCAYBOC-UHFFFAOYSA-N 0 0 341.436 3.777 50 70 EHIARN O=C(Nc1ccnn1CC1CC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000160265816 564073009 /nfs/dbraw/zinc/07/30/09/564073009.db2.gz QFDQPGJNPWHJIT-UHFFFAOYSA-N 0 0 343.386 3.757 50 70 EHIARN CCSc1ccc(C(=O)N(C)CCc2scnc2C)s1 ZINC000217839512 241277932 /nfs/dbraw/zinc/27/79/32/241277932.db2.gz OWCVLLYTJZOHQF-UHFFFAOYSA-N 0 0 326.512 3.940 50 70 EHIARN CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(C)(C)C)c1 ZINC000218369631 241317081 /nfs/dbraw/zinc/31/70/81/241317081.db2.gz NNGBSLWFHICJJS-UHFFFAOYSA-N 0 0 338.411 3.565 50 70 EHIARN COCc1nc2cc(C[C@H]3CC(=O)N(c4ccccc4)C3)ccc2o1 ZINC000218593556 241332401 /nfs/dbraw/zinc/33/24/01/241332401.db2.gz YSSFJWKHNHXQLO-HNNXBMFYSA-N 0 0 336.391 3.570 50 70 EHIARN CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccsc1)CC(=O)O3 ZINC000217730866 241272726 /nfs/dbraw/zinc/27/27/26/241272726.db2.gz JQFPKJAAGDSPOU-LBPRGKRZSA-N 0 0 328.389 3.933 50 70 biogenic EHIARN COc1ccccc1OCC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217482082 241253275 /nfs/dbraw/zinc/25/32/75/241253275.db2.gz FCJKSOABGGYMRP-UHFFFAOYSA-N 0 0 345.464 3.764 50 70 EHIARN COC(=O)C[C@H]1c2cc3c(cc2Oc2nc4ccccc4cc21)OCO3 ZINC000217930488 241286314 /nfs/dbraw/zinc/28/63/14/241286314.db2.gz YXEAMVZMXVBTRS-LBPRGKRZSA-N 0 0 349.342 3.764 50 70 biogenic EHIARN CC(C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc2ccccc2n1C ZINC000218181348 241303225 /nfs/dbraw/zinc/30/32/25/241303225.db2.gz XGUGSAYOLXDEDH-IBGZPJMESA-N 0 0 339.414 3.768 50 70 EHIARN CCCCSCc1cc(C(=O)N[C@H](C)c2cnn(C)c2)oc1C ZINC000217393757 241245698 /nfs/dbraw/zinc/24/56/98/241245698.db2.gz FOUUBZUQNGUUGM-GFCCVEGCSA-N 0 0 335.473 3.846 50 70 EHIARN C[C@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2s1 ZINC000217500675 241255651 /nfs/dbraw/zinc/25/56/51/241255651.db2.gz OTAMESIXVGMCLZ-SFHVURJKSA-N 0 0 347.386 3.817 50 70 EHIARN Cc1cc(C)n(CCCC(=O)N(C)Cc2[nH]c3ccccc3c2C)n1 ZINC000218434882 241321696 /nfs/dbraw/zinc/32/16/96/241321696.db2.gz MQZAQVHOWVGNEY-UHFFFAOYSA-N 0 0 338.455 3.728 50 70 EHIARN O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@H]1c1cccnc1 ZINC000218464105 241323438 /nfs/dbraw/zinc/32/34/38/241323438.db2.gz CDQVTBQMHAKDDI-KRWDZBQOSA-N 0 0 334.341 3.795 50 70 EHIARN CON(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000160190608 564065320 /nfs/dbraw/zinc/06/53/20/564065320.db2.gz JDFVIHUEHQWGMI-UHFFFAOYSA-N 0 0 338.367 3.641 50 70 EHIARN Cc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217818402 241276794 /nfs/dbraw/zinc/27/67/94/241276794.db2.gz CMECJLLXTNSVEY-AWEZNQCLSA-N 0 0 340.427 3.742 50 70 EHIARN OCc1cc2n(n1)CCCN(Cc1ccc(C3CCCCC3)s1)C2 ZINC000218487169 241326820 /nfs/dbraw/zinc/32/68/20/241326820.db2.gz FVGWEGVJHYYCKU-UHFFFAOYSA-N 0 0 345.512 3.891 50 70 EHIARN O[C@H](C[C@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 ZINC000161176662 257955631 /nfs/dbraw/zinc/95/56/31/257955631.db2.gz OAHZUPZAXFDBQK-IAGOWNOFSA-N 0 0 327.403 3.586 50 70 EHIARN CN(Cc1cc(C2CC2)on1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000218408213 241320069 /nfs/dbraw/zinc/32/00/69/241320069.db2.gz JFMFDVLSVWPZAG-UHFFFAOYSA-N 0 0 338.329 3.772 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(F)c(Cl)c1)CC(=O)O2 ZINC000218141801 534883476 /nfs/dbraw/zinc/88/34/76/534883476.db2.gz QHSLUIZWBDFYAO-LLVKDONJSA-N 0 0 334.730 3.828 50 70 EHIARN CC(C)(C)n1ccc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000218309417 534959582 /nfs/dbraw/zinc/95/95/82/534959582.db2.gz PHGFPGOGCHWWJD-SFHVURJKSA-N 0 0 336.439 3.611 50 70 EHIARN CCCc1nnsc1C(=O)N1CCS[C@@H]1c1ccccc1F ZINC000217629725 535551360 /nfs/dbraw/zinc/55/13/60/535551360.db2.gz CDYGLJYYXHDJRL-OAHLLOKOSA-N 0 0 337.445 3.518 50 70 EHIARN O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@@H]1c1ccccc1F ZINC000217630326 241266066 /nfs/dbraw/zinc/26/60/66/241266066.db2.gz ZYUSVBMYXFQIDB-MRXNPFEDSA-N 0 0 346.383 3.834 50 70 EHIARN [O-]c1c([C@@H](c2ccsc2)[NH+]2CCCCCC2)sc2ncnn12 ZINC000218471403 241325151 /nfs/dbraw/zinc/32/51/51/241325151.db2.gz BHCDLWPLNKPDMV-GFCCVEGCSA-N 0 0 334.470 3.523 50 70 EHIARN O=C(NCCn1ccc(-c2ccsc2)n1)Nc1c(F)cccc1F ZINC000217890299 241281415 /nfs/dbraw/zinc/28/14/15/241281415.db2.gz FTKBYMFGPZNHQW-UHFFFAOYSA-N 0 0 348.378 3.712 50 70 EHIARN CCCc1cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cs1 ZINC000218087386 241296663 /nfs/dbraw/zinc/29/66/63/241296663.db2.gz MJXFYPUJFFBTAO-UHFFFAOYSA-N 0 0 325.437 3.817 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cccc(OC(F)F)c1)CC(=O)O2 ZINC000218413932 534883671 /nfs/dbraw/zinc/88/36/71/534883671.db2.gz IYFOUERVHUPCJR-CYBMUJFWSA-N 0 0 348.301 3.637 50 70 EHIARN CCCc1nnsc1C(=O)N1CCS[C@H]1c1ccccc1F ZINC000217629811 535552403 /nfs/dbraw/zinc/55/24/03/535552403.db2.gz CDYGLJYYXHDJRL-HNNXBMFYSA-N 0 0 337.445 3.518 50 70 EHIARN COc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217499467 536997531 /nfs/dbraw/zinc/99/75/31/536997531.db2.gz RVEDQFQZVUXOSY-IBGZPJMESA-N 0 0 341.432 3.547 50 70 EHIARN COCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000160587334 564082172 /nfs/dbraw/zinc/08/21/72/564082172.db2.gz UETONSTUPRGEJK-LSDHHAIUSA-N 0 0 346.431 3.518 50 70 EHIARN O=C(CCc1cccc(Cl)c1)NC[C@](O)(c1ccccc1)C1CC1 ZINC000217578281 241261496 /nfs/dbraw/zinc/26/14/96/241261496.db2.gz CUBYVYXPDYDLEF-FQEVSTJZSA-N 0 0 343.854 3.687 50 70 EHIARN CC(C)Oc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 ZINC000217649678 241265258 /nfs/dbraw/zinc/26/52/58/241265258.db2.gz GWUIZUMUUYFQKW-CQSZACIVSA-N 0 0 326.348 3.644 50 70 biogenic EHIARN Cc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217498022 241253002 /nfs/dbraw/zinc/25/30/02/241253002.db2.gz VVFAZWZKANWQSH-IBGZPJMESA-N 0 0 325.433 3.847 50 70 EHIARN COCc1nc2cc(C[C@@H]3CC(=O)N(c4ccccc4)C3)ccc2o1 ZINC000218593491 241332186 /nfs/dbraw/zinc/33/21/86/241332186.db2.gz YSSFJWKHNHXQLO-OAHLLOKOSA-N 0 0 336.391 3.570 50 70 EHIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2-c2ccncc2)[nH]n1 ZINC000160258031 564072851 /nfs/dbraw/zinc/07/28/51/564072851.db2.gz YUWNELMMMSXLPJ-ZDUSSCGKSA-N 0 0 335.411 3.533 50 70 EHIARN CN(CC[C@@H]1CCCCO1)C(=O)C(C)(C)Oc1ccc2c(c1)CCC2 ZINC000217787786 241274935 /nfs/dbraw/zinc/27/49/35/241274935.db2.gz JRZCQYRJBIMVDM-SFHVURJKSA-N 0 0 345.483 3.750 50 70 EHIARN O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@H]1c1ccccn1 ZINC000216957897 241228023 /nfs/dbraw/zinc/22/80/23/241228023.db2.gz JGIHMJZRQULXFX-KRWDZBQOSA-N 0 0 338.436 3.901 50 70 EHIARN Cc1ncsc1CCN(C)C(=O)CCCc1c[nH]c2ccccc12 ZINC000217058075 241234327 /nfs/dbraw/zinc/23/43/27/241234327.db2.gz GMGARWJRBQZPCU-UHFFFAOYSA-N 0 0 341.480 3.957 50 70 EHIARN O=C(NCCc1noc(C2CCC2)n1)c1cccc(-c2ccco2)c1 ZINC000217337881 241244288 /nfs/dbraw/zinc/24/42/88/241244288.db2.gz WEIMEQYEBVDELT-UHFFFAOYSA-N 0 0 337.379 3.570 50 70 EHIARN Cc1cc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)c(C)o1 ZINC000217498476 241253173 /nfs/dbraw/zinc/25/31/73/241253173.db2.gz LBSOIQISIYPXMO-GOSISDBHSA-N 0 0 329.421 3.749 50 70 EHIARN O=C(NCC1(c2ccccc2F)CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000218408903 241320234 /nfs/dbraw/zinc/32/02/34/241320234.db2.gz WYHHGKCFSMMAKJ-IBGZPJMESA-N 0 0 339.410 3.757 50 70 EHIARN Cn1nc(CN(C(=O)c2ccsc2)C2CCCC2)cc1C1CC1 ZINC000217900052 241283224 /nfs/dbraw/zinc/28/32/24/241283224.db2.gz HFEIPYSFOGRAGD-UHFFFAOYSA-N 0 0 329.469 3.944 50 70 EHIARN C[C@H](Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000218135759 241299794 /nfs/dbraw/zinc/29/97/94/241299794.db2.gz SORKOQJWGKNJJG-CYBMUJFWSA-N 0 0 329.469 3.510 50 70 EHIARN CC[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1nc(C)c(C)s1 ZINC000218179755 241304590 /nfs/dbraw/zinc/30/45/90/241304590.db2.gz NFNNTDVGEDMXRJ-ZDUSSCGKSA-N 0 0 338.860 3.929 50 70 EHIARN Cn1ccc2c1cccc2NC(=O)CC1(n2cccc2)CCOCC1 ZINC000218298671 241313256 /nfs/dbraw/zinc/31/32/56/241313256.db2.gz VXYOJKGROGXLAJ-UHFFFAOYSA-N 0 0 337.423 3.514 50 70 EHIARN O=C(Nc1ccccc1)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000218335408 241315809 /nfs/dbraw/zinc/31/58/09/241315809.db2.gz PDSDSYUAUCTEJU-UHFFFAOYSA-N 0 0 339.322 3.610 50 70 EHIARN CO[C@@H](CNC(=O)c1cccc(N(C)C)c1)c1ccccc1Cl ZINC000159491061 225228317 /nfs/dbraw/zinc/22/83/17/225228317.db2.gz LELSGFCZBZPRIQ-KRWDZBQOSA-N 0 0 332.831 3.524 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc(OC(C)C)cc1)CC(=O)O2 ZINC000217764504 534883664 /nfs/dbraw/zinc/88/36/64/534883664.db2.gz LRBPDYZZHMWDKW-INIZCTEOSA-N 0 0 340.375 3.823 50 70 biogenic EHIARN CC1CCN(c2cccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)c2)CC1 ZINC000159762824 528269072 /nfs/dbraw/zinc/26/90/72/528269072.db2.gz WJNGCAXIKRSWKB-MRXNPFEDSA-N 0 0 345.487 3.954 50 70 EHIARN Cc1ccc(Cc2ccccc2C(=O)N2CCc3n[nH]cc3C2)cc1F ZINC000217073306 241235720 /nfs/dbraw/zinc/23/57/20/241235720.db2.gz BKAJLUOJTLVWSH-UHFFFAOYSA-N 0 0 349.409 3.647 50 70 EHIARN O=C(NCC1(c2ccsc2)CCCC1)c1ccc2nsnc2c1 ZINC000217481960 241253178 /nfs/dbraw/zinc/25/31/78/241253178.db2.gz OKQWNYJUZURPDO-UHFFFAOYSA-N 0 0 343.477 3.995 50 70 EHIARN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(=O)oc3ccccc3c2O1 ZINC000218415783 241322205 /nfs/dbraw/zinc/32/22/05/241322205.db2.gz ZFTOZFBGUWYQLI-JTQLQIEISA-N 0 0 346.260 3.651 50 70 EHIARN O=C(NCc1cccnc1)c1sc(Cl)nc1-c1ccccc1 ZINC000218514593 241329190 /nfs/dbraw/zinc/32/91/90/241329190.db2.gz CRKQRKQVSPZQEW-UHFFFAOYSA-N 0 0 329.812 3.789 50 70 EHIARN Cc1ccc(Cc2ccccc2C(=O)N(C)Cc2ccon2)cc1F ZINC000217948406 241285310 /nfs/dbraw/zinc/28/53/10/241285310.db2.gz AUCSCLDLDDLVLN-UHFFFAOYSA-N 0 0 338.382 3.985 50 70 EHIARN COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1nc(C)cc1C ZINC000218011717 241291953 /nfs/dbraw/zinc/29/19/53/241291953.db2.gz DDJMISXNNZDNGQ-SFHVURJKSA-N 0 0 341.455 3.652 50 70 EHIARN CC1(C)C[C@H](NC(=O)c2scc3c2OCCO3)c2ccccc2O1 ZINC000218708357 535367356 /nfs/dbraw/zinc/36/73/56/535367356.db2.gz TWLCZCGMNXXUFV-LBPRGKRZSA-N 0 0 345.420 3.552 50 70 EHIARN O=C(c1ccccc1Cl)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217527690 568418193 /nfs/dbraw/zinc/41/81/93/568418193.db2.gz VBKUEJPJDOKFEW-UHFFFAOYSA-N 0 0 341.794 3.642 50 70 EHIARN Cc1ccc(Cc2ccccc2C(=O)N(C)Cc2cnccn2)cc1F ZINC000216931710 241225904 /nfs/dbraw/zinc/22/59/04/241225904.db2.gz DXCXEOGICYKNHQ-UHFFFAOYSA-N 0 0 349.409 3.787 50 70 EHIARN Cc1c[nH]nc1C1CCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000217833254 241276337 /nfs/dbraw/zinc/27/63/37/241276337.db2.gz PRRAZLDPYNZNCB-UHFFFAOYSA-N 0 0 329.469 3.678 50 70 EHIARN O=C1C[C@H](c2ccc3ncccc3c2)c2c(=O)oc3ccccc3c2O1 ZINC000217900970 241282863 /nfs/dbraw/zinc/28/28/63/241282863.db2.gz ZLPDIRKNEIXETG-OAHLLOKOSA-N 0 0 343.338 3.782 50 70 biogenic EHIARN COC[C@H]1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)o2)C1 ZINC000218355668 241315462 /nfs/dbraw/zinc/31/54/62/241315462.db2.gz WDFRGZAPGZGIPS-HNNXBMFYSA-N 0 0 345.464 3.989 50 70 EHIARN CCCn1nc(C)c(CNC(=O)CSCc2ccccc2C)c1C ZINC000218445870 535624711 /nfs/dbraw/zinc/62/47/11/535624711.db2.gz XXTYEMZAYKWMHM-UHFFFAOYSA-N 0 0 345.512 3.768 50 70 EHIARN CCc1cc(=O)[nH]c(CN[C@@H](c2ccccc2)c2ccc(C)cc2)n1 ZINC000160544109 564081976 /nfs/dbraw/zinc/08/19/76/564081976.db2.gz CSFSUUKBMSTRPC-NRFANRHFSA-N 0 0 333.435 3.932 50 70 EHIARN CN(Cc1ncc[nH]1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000216939670 241225344 /nfs/dbraw/zinc/22/53/44/241225344.db2.gz FOQYDWZGCJKNNR-UHFFFAOYSA-N 0 0 343.471 3.983 50 70 EHIARN Cc1cccc(CNC(=O)CCc2ccc(-c3cccs3)o2)n1 ZINC000217058584 241236654 /nfs/dbraw/zinc/23/66/54/241236654.db2.gz HPSCQXMQAKMZLR-UHFFFAOYSA-N 0 0 326.421 3.961 50 70 EHIARN O=C(NCC1(c2ccccc2F)CCCC1)[C@H]1Cc2ccccc2O1 ZINC000218408977 241320216 /nfs/dbraw/zinc/32/02/16/241320216.db2.gz WYHHGKCFSMMAKJ-LJQANCHMSA-N 0 0 339.410 3.757 50 70 EHIARN C[C@@H](C(=O)NCc1cnn(C)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000217851770 241278452 /nfs/dbraw/zinc/27/84/52/241278452.db2.gz TZFBNPJUVNOVKT-CQSZACIVSA-N 0 0 337.398 3.646 50 70 EHIARN Cn1nc(CN(C(=O)Cc2cccs2)C2CCCC2)cc1C1CC1 ZINC000217899213 241283206 /nfs/dbraw/zinc/28/32/06/241283206.db2.gz QZSUMFUSTVDNGI-UHFFFAOYSA-N 0 0 343.496 3.873 50 70 EHIARN COc1ccc(OCC2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 ZINC000218058488 241294571 /nfs/dbraw/zinc/29/45/71/241294571.db2.gz BJHWHNPUKJYEOH-UHFFFAOYSA-N 0 0 343.423 3.836 50 70 EHIARN Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)n(-c2ccccc2F)n1 ZINC000159715643 564054099 /nfs/dbraw/zinc/05/40/99/564054099.db2.gz ZRNNNBZBFGYYPH-CYBMUJFWSA-N 0 0 338.386 3.847 50 70 EHIARN CC(C)Oc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 ZINC000217649589 241265010 /nfs/dbraw/zinc/26/50/10/241265010.db2.gz GWUIZUMUUYFQKW-AWEZNQCLSA-N 0 0 326.348 3.644 50 70 biogenic EHIARN Cc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217498116 241252905 /nfs/dbraw/zinc/25/29/05/241252905.db2.gz VVFAZWZKANWQSH-LJQANCHMSA-N 0 0 325.433 3.847 50 70 EHIARN C[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2s1 ZINC000217500845 241255505 /nfs/dbraw/zinc/25/55/05/241255505.db2.gz GHURXTHRWYYPAC-SFHVURJKSA-N 0 0 347.386 3.817 50 70 EHIARN O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(=O)oc3ccccc3c2O1 ZINC000218415869 241322568 /nfs/dbraw/zinc/32/25/68/241322568.db2.gz ZFTOZFBGUWYQLI-SNVBAGLBSA-N 0 0 346.260 3.651 50 70 EHIARN COc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)cc(OC)c1OC ZINC000160012945 564062101 /nfs/dbraw/zinc/06/21/01/564062101.db2.gz TZJQJINUWAFKHM-OLZOCXBDSA-N 0 0 347.436 3.825 50 70 EHIARN Cc1nnc(CN(C)C(=O)CCc2ccc(-c3ccc(C)cc3)o2)o1 ZINC000217502977 241255144 /nfs/dbraw/zinc/25/51/44/241255144.db2.gz UCNZIKMITKOBGW-UHFFFAOYSA-N 0 0 339.395 3.538 50 70 EHIARN O=C1C[C@@H](c2ccc3ncccc3c2)c2c(=O)oc3ccccc3c2O1 ZINC000217900921 241282643 /nfs/dbraw/zinc/28/26/43/241282643.db2.gz ZLPDIRKNEIXETG-HNNXBMFYSA-N 0 0 343.338 3.782 50 70 biogenic EHIARN Cn1nc(CN(C(=O)c2cccs2)C2CCCC2)cc1C1CC1 ZINC000217899383 241283677 /nfs/dbraw/zinc/28/36/77/241283677.db2.gz ZTDUWGYWMAYTPI-UHFFFAOYSA-N 0 0 329.469 3.944 50 70 EHIARN COc1cccc2c1ccn2CC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000218031993 241291476 /nfs/dbraw/zinc/29/14/76/241291476.db2.gz RJOBCAFAVLNCDM-SFHVURJKSA-N 0 0 349.434 3.799 50 70 biogenic EHIARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000218041602 241294008 /nfs/dbraw/zinc/29/40/08/241294008.db2.gz XBLCPVDYLZUTJY-GOSISDBHSA-N 0 0 337.423 3.987 50 70 EHIARN CCSc1ccccc1C(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218217995 241305294 /nfs/dbraw/zinc/30/52/94/241305294.db2.gz ZHPSPIUOWLANTA-UHFFFAOYSA-N 0 0 345.468 3.674 50 70 EHIARN O=C(/C=C/c1ccccc1Cl)Nc1cnn(CC2CCOCC2)c1 ZINC000218199088 241306812 /nfs/dbraw/zinc/30/68/12/241306812.db2.gz FDIOUAZTSGROPU-AATRIKPKSA-N 0 0 345.830 3.615 50 70 EHIARN O=C(CCc1cccnc1)NCc1cc(-c2ccccc2Cl)on1 ZINC000218375786 241317071 /nfs/dbraw/zinc/31/70/71/241317071.db2.gz YJGGMGPCDFWMMA-UHFFFAOYSA-N 0 0 341.798 3.639 50 70 EHIARN CCN(Cc1noc(C)n1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000218257869 535397850 /nfs/dbraw/zinc/39/78/50/535397850.db2.gz WDCNITQNLPKWJT-UHFFFAOYSA-N 0 0 335.407 3.636 50 70 EHIARN Cc1cc(COc2ccccc2)oc1C(=O)NCC[C@H]1CCCCO1 ZINC000217395277 241246881 /nfs/dbraw/zinc/24/68/81/241246881.db2.gz KCHKRMVIYPYVJP-QGZVFWFLSA-N 0 0 343.423 3.856 50 70 EHIARN C[C@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2s1 ZINC000217521846 241255897 /nfs/dbraw/zinc/25/58/97/241255897.db2.gz YQPHRYZVSDSWAD-KRWDZBQOSA-N 0 0 346.477 3.670 50 70 EHIARN Cn1nc(CN(C(=O)/C=C/c2ccco2)C2CCCC2)cc1C1CC1 ZINC000217898203 241283963 /nfs/dbraw/zinc/28/39/63/241283963.db2.gz ZXBNXRCZXCOCPX-ZHACJKMWSA-N 0 0 339.439 3.875 50 70 EHIARN COC(=O)C[C@@H]1c2cc3c(cc2Oc2nc4ccccc4cc21)OCO3 ZINC000217930579 241285188 /nfs/dbraw/zinc/28/51/88/241285188.db2.gz YXEAMVZMXVBTRS-GFCCVEGCSA-N 0 0 349.342 3.764 50 70 biogenic EHIARN CC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(C)no1 ZINC000218776086 241345429 /nfs/dbraw/zinc/34/54/29/241345429.db2.gz MDHPDCPSKPEULE-CQSZACIVSA-N 0 0 333.819 3.721 50 70 EHIARN c1csc([C@@H]2CN(Cc3cnc(-c4ccccc4)s3)CCO2)n1 ZINC000161436689 563998506 /nfs/dbraw/zinc/99/85/06/563998506.db2.gz BTJDPGXFMVDGQU-HNNXBMFYSA-N 0 0 343.477 3.840 50 70 EHIARN O=C(Nc1ccccc1F)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217817631 241277053 /nfs/dbraw/zinc/27/70/53/241277053.db2.gz ZRMILADGKAIDFO-GFCCVEGCSA-N 0 0 344.390 3.573 50 70 EHIARN CCSc1nc(CC(=O)N2CCCC[C@H]2c2ccccn2)cs1 ZINC000217341420 241245072 /nfs/dbraw/zinc/24/50/72/241245072.db2.gz UANBBZGOEZZZKT-HNNXBMFYSA-N 0 0 347.509 3.946 50 70 EHIARN C[N@H+]([C@H](c1ccsc1)c1sc2ncnn2c1[O-])C1CCCCC1 ZINC000218503410 241326844 /nfs/dbraw/zinc/32/68/44/241326844.db2.gz PYXWYWJFBNEJIS-CYBMUJFWSA-N 0 0 348.497 3.912 50 70 EHIARN COc1ccc(-c2cc(C(=O)Nc3ccc4cc[nH]c4c3)n(C)n2)cc1 ZINC000218176151 241304005 /nfs/dbraw/zinc/30/40/05/241304005.db2.gz FGMSYRSHZYOXFE-UHFFFAOYSA-N 0 0 346.390 3.829 50 70 EHIARN CSCc1ccc(C(=O)NC2CCN(c3ccc(F)cc3)CC2)o1 ZINC000218374118 241317790 /nfs/dbraw/zinc/31/77/90/241317790.db2.gz IXMZLYTUUJDMJT-UHFFFAOYSA-N 0 0 348.443 3.681 50 70 EHIARN Fc1cc(F)c2nccc(N3CCC(OC[C@@H]4CCOC4)CC3)c2c1 ZINC000160316681 534447887 /nfs/dbraw/zinc/44/78/87/534447887.db2.gz QJTFBBPBRKPIEJ-CYBMUJFWSA-N 0 0 348.393 3.535 50 70 EHIARN CCN(Cc1nnc(-c2ccccc2OC)o1)c1ccc(F)cc1 ZINC000159449760 528891551 /nfs/dbraw/zinc/89/15/51/528891551.db2.gz JLWJHVGOAPBNIK-UHFFFAOYSA-N 0 0 327.359 3.911 50 70 EHIARN Cc1cccc(C2=CCN(C(=O)c3cnc(C(F)(F)F)nc3)CC2)c1 ZINC000159802568 564054282 /nfs/dbraw/zinc/05/42/82/564054282.db2.gz JRRHWCNLMUEBPV-UHFFFAOYSA-N 0 0 347.340 3.733 50 70 EHIARN O[C@H](C[C@@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 ZINC000161176422 564118784 /nfs/dbraw/zinc/11/87/84/564118784.db2.gz OAHZUPZAXFDBQK-DLBZAZTESA-N 0 0 327.403 3.586 50 70 EHIARN O=C(NC[C@H]1CCCCO1)c1ccccc1OCCc1ccccc1 ZINC000217153156 241238862 /nfs/dbraw/zinc/23/88/62/241238862.db2.gz SQFHYDRHTFLVDZ-GOSISDBHSA-N 0 0 339.435 3.607 50 70 EHIARN CCCCSCc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)oc1C ZINC000217393670 241246611 /nfs/dbraw/zinc/24/66/11/241246611.db2.gz FOUUBZUQNGUUGM-LBPRGKRZSA-N 0 0 335.473 3.846 50 70 EHIARN Cc1nc2sc([C@@H](c3ccsc3)[NH+]3CCCCCC3)c([O-])n2n1 ZINC000218447276 241323850 /nfs/dbraw/zinc/32/38/50/241323850.db2.gz PIYXSTGGPOYAIL-CYBMUJFWSA-N 0 0 348.497 3.832 50 70 EHIARN O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000217953050 241286375 /nfs/dbraw/zinc/28/63/75/241286375.db2.gz PMLHXIJCOOSUNC-FQEVSTJZSA-N 0 0 348.446 3.581 50 70 EHIARN CC1=C(c2ccccc2)[C@H]1C(=O)NCc1ccc2c(c1)nc(C)n2C ZINC000218000005 535238459 /nfs/dbraw/zinc/23/84/59/535238459.db2.gz XRUQYNMQPUYXPY-FQEVSTJZSA-N 0 0 331.419 3.601 50 70 EHIARN Cc1cc(NC(=O)C[C@H](C)c2ccncc2)n(-c2ccccc2F)n1 ZINC000159715779 564054101 /nfs/dbraw/zinc/05/41/01/564054101.db2.gz ZRNNNBZBFGYYPH-ZDUSSCGKSA-N 0 0 338.386 3.847 50 70 EHIARN CC(=Cc1cnn(Cc2ccccc2)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000161456622 564086746 /nfs/dbraw/zinc/08/67/46/564086746.db2.gz MSVQIOSJVHYKDX-LCYFTJDESA-N 0 0 348.431 3.790 50 70 EHIARN O=C(c1ccc(SCCO)cc1)N1CCc2c(Cl)cccc2C1 ZINC000217830997 241276571 /nfs/dbraw/zinc/27/65/71/241276571.db2.gz XDFQBTSWHZPYDM-UHFFFAOYSA-N 0 0 347.867 3.623 50 70 EHIARN CCNc1nc(C)c(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)s1 ZINC000217199235 241240266 /nfs/dbraw/zinc/24/02/66/241240266.db2.gz QGDYNAZQLRONQE-UHFFFAOYSA-N 0 0 346.431 3.776 50 70 EHIARN C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(C3CCCC3)s1)C2 ZINC000217196255 241240542 /nfs/dbraw/zinc/24/05/42/241240542.db2.gz SHWVWHIHEIKAFE-CYBMUJFWSA-N 0 0 331.485 3.671 50 70 EHIARN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)on1 ZINC000217194192 241242205 /nfs/dbraw/zinc/24/22/05/241242205.db2.gz NTTPKVZVTOSRMK-MUJYYYPQSA-N 0 0 328.387 3.981 50 70 EHIARN O=S(=O)(Cc1ccccc1)N1CCCC[C@H](c2ccccc2)C1 ZINC000217288330 241243302 /nfs/dbraw/zinc/24/33/02/241243302.db2.gz OZWWBNQCHDTCAC-IBGZPJMESA-N 0 0 329.465 3.786 50 70 EHIARN O=C(NCC1(c2ccsc2)CCCC1)c1ccc2c(c1)OCO2 ZINC000217481094 241252217 /nfs/dbraw/zinc/25/22/17/241252217.db2.gz YZOGFVPSKYZPOB-UHFFFAOYSA-N 0 0 329.421 3.719 50 70 EHIARN C[C@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2s1 ZINC000217521253 241255257 /nfs/dbraw/zinc/25/52/57/241255257.db2.gz FWJWVCZUTZBKAP-INIZCTEOSA-N 0 0 332.450 3.992 50 70 EHIARN CSc1nc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cs1 ZINC000218783105 241346412 /nfs/dbraw/zinc/34/64/12/241346412.db2.gz CPLIUEYYGQQEOV-AWEZNQCLSA-N 0 0 348.493 3.686 50 70 EHIARN CC1(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 ZINC000218654315 535115957 /nfs/dbraw/zinc/11/59/57/535115957.db2.gz LWTGTRFUMZKKKT-LAGYLCCXSA-N 0 0 338.451 3.743 50 70 EHIARN CO[C@H](CNC(=O)NCCCc1ccccc1)c1ccccc1Cl ZINC000218355320 564159778 /nfs/dbraw/zinc/15/97/78/564159778.db2.gz HJSVGCLYWBMDOG-GOSISDBHSA-N 0 0 346.858 3.960 50 70 EHIARN O=C(NC[C@@H](c1ccccc1)C1CCCC1)c1cc(Cl)c[nH]c1=O ZINC000218396432 241320054 /nfs/dbraw/zinc/32/00/54/241320054.db2.gz DTVFMELBIBISPL-KRWDZBQOSA-N 0 0 344.842 3.732 50 70 EHIARN Cc1nc2sc([C@H](c3ccsc3)[NH+]3CCCCCC3)c([O-])n2n1 ZINC000218447347 241324275 /nfs/dbraw/zinc/32/42/75/241324275.db2.gz PIYXSTGGPOYAIL-ZDUSSCGKSA-N 0 0 348.497 3.832 50 70 EHIARN CC1CCN(c2cccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)c2)CC1 ZINC000159762695 528268692 /nfs/dbraw/zinc/26/86/92/528268692.db2.gz WJNGCAXIKRSWKB-INIZCTEOSA-N 0 0 345.487 3.954 50 70 EHIARN COc1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)cc(OC)c1OC ZINC000160013217 564062127 /nfs/dbraw/zinc/06/21/27/564062127.db2.gz TZJQJINUWAFKHM-CHWSQXEVSA-N 0 0 347.436 3.825 50 70 EHIARN COc1cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc(OC)c1OC ZINC000160013376 564062128 /nfs/dbraw/zinc/06/21/28/564062128.db2.gz TZJQJINUWAFKHM-QWHCGFSZSA-N 0 0 347.436 3.825 50 70 EHIARN C[C@@H]1CCO[C@H]1C(=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000160853986 564088849 /nfs/dbraw/zinc/08/88/49/564088849.db2.gz JYOQGCYQIAQKNM-PIGZYNQJSA-N 0 0 339.347 3.620 50 70 EHIARN O=C(OCc1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217816063 241276902 /nfs/dbraw/zinc/27/69/02/241276902.db2.gz MQDBULLGWLPRHC-HNNXBMFYSA-N 0 0 341.411 3.538 50 70 EHIARN COc1ccccc1[C@@H]1CCCN1C(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000217041394 241234410 /nfs/dbraw/zinc/23/44/10/241234410.db2.gz NJLMAJLBTNQSHH-INIZCTEOSA-N 0 0 340.423 3.820 50 70 EHIARN O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000217952967 241285492 /nfs/dbraw/zinc/28/54/92/241285492.db2.gz PMLHXIJCOOSUNC-HXUWFJFHSA-N 0 0 348.446 3.581 50 70 EHIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000218365124 535650972 /nfs/dbraw/zinc/65/09/72/535650972.db2.gz DMJPUDCQHHZNGF-FZKQIMNGSA-N 0 0 338.407 3.632 50 70 EHIARN FC(F)(F)c1ccccc1CN1CCO[C@H](c2nccs2)C1 ZINC000161437814 564003124 /nfs/dbraw/zinc/00/31/24/564003124.db2.gz OJDPPZINEBIFKZ-ZDUSSCGKSA-N 0 0 328.359 3.735 50 70 EHIARN COc1ccc2c(ccn2CC(=O)N2CCCC[C@H]2c2cccnc2)c1 ZINC000218009623 537029137 /nfs/dbraw/zinc/02/91/37/537029137.db2.gz BNNJJOHWZSUGGO-FQEVSTJZSA-N 0 0 349.434 3.799 50 70 biogenic EHIARN CO[C@@H](CNC(=O)NCCCc1ccccc1)c1ccccc1Cl ZINC000218355231 564159759 /nfs/dbraw/zinc/15/97/59/564159759.db2.gz HJSVGCLYWBMDOG-SFHVURJKSA-N 0 0 346.858 3.960 50 70 EHIARN O=C1C[C@H](c2ccc(O)c(Cl)c2)c2c(=O)oc3ccccc3c2O1 ZINC000217843371 241279242 /nfs/dbraw/zinc/27/92/42/241279242.db2.gz HVBZCVDEAYTKIE-LLVKDONJSA-N 0 0 342.734 3.593 50 70 biogenic EHIARN Cc1cccc(Cl)c1C(=O)N[C@@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12 ZINC000218240132 241307716 /nfs/dbraw/zinc/30/77/16/241307716.db2.gz YMGVYDAORWIKAU-NBMRYCAZSA-N 0 0 333.859 3.972 50 70 EHIARN Cc1nc2cc(CNC(=O)Cc3ccccc3C(F)(F)F)ccc2[nH]1 ZINC000218581526 241332111 /nfs/dbraw/zinc/33/21/11/241332111.db2.gz PJCGRRFKIRNSAV-UHFFFAOYSA-N 0 0 347.340 3.749 50 70 EHIARN COc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217499376 536997526 /nfs/dbraw/zinc/99/75/26/536997526.db2.gz RVEDQFQZVUXOSY-LJQANCHMSA-N 0 0 341.432 3.547 50 70 EHIARN Cc1cc(CCC(=O)NCCSC2CCOCC2)ccc1Cl ZINC000217704315 241270943 /nfs/dbraw/zinc/27/09/43/241270943.db2.gz ZLUVTGHNROLYTL-UHFFFAOYSA-N 0 0 341.904 3.609 50 70 EHIARN C[C@H](O)c1cc2n(n1)CCCN(Cc1csc3ccccc13)C2 ZINC000216911761 241219654 /nfs/dbraw/zinc/21/96/54/241219654.db2.gz RTJYGVAHPULVCW-ZDUSSCGKSA-N 0 0 327.453 3.557 50 70 EHIARN O=C(NCC[C@H](O)c1ccsc1)c1ccccc1C(F)(F)F ZINC000217531229 241255758 /nfs/dbraw/zinc/25/57/58/241255758.db2.gz QDEOSJHCSNPSQA-ZDUSSCGKSA-N 0 0 329.343 3.620 50 70 EHIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccco1 ZINC000217877945 241280934 /nfs/dbraw/zinc/28/09/34/241280934.db2.gz LWGMUKWOIIICMF-UHFFFAOYSA-N 0 0 327.409 3.512 50 70 EHIARN C[C@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000217986116 241289463 /nfs/dbraw/zinc/28/94/63/241289463.db2.gz WAQMKTNOWYFOQH-INIZCTEOSA-N 0 0 335.812 3.785 50 70 EHIARN O=C(CCCCc1ccccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218232066 564159579 /nfs/dbraw/zinc/15/95/79/564159579.db2.gz NAMOCAXJMWGYHI-UHFFFAOYSA-N 0 0 341.455 3.661 50 70 EHIARN Cc1noc(-c2ccsc2NC(=O)CSc2ccc(F)cc2)n1 ZINC000217649723 241264695 /nfs/dbraw/zinc/26/46/95/241264695.db2.gz VHSFJYLSAYZZNN-UHFFFAOYSA-N 0 0 349.412 3.976 50 70 EHIARN O=C(c1ccc2nsnc2c1)N1CCS[C@H]1c1cccc(F)c1 ZINC000217634644 241265684 /nfs/dbraw/zinc/26/56/84/241265684.db2.gz XNMSMAQVDJLLMV-INIZCTEOSA-N 0 0 345.424 3.718 50 70 EHIARN O=S(=O)(Cc1ccccc1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217288332 241244887 /nfs/dbraw/zinc/24/48/87/241244887.db2.gz OZWWBNQCHDTCAC-LJQANCHMSA-N 0 0 329.465 3.786 50 70 EHIARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2OC(C)(C)C)[nH]n1 ZINC000160403609 225407662 /nfs/dbraw/zinc/40/76/62/225407662.db2.gz QBUPXOYNTIXSHO-GFCCVEGCSA-N 0 0 330.432 3.648 50 70 EHIARN COCCCn1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)n1 ZINC000160586967 564082156 /nfs/dbraw/zinc/08/21/56/564082156.db2.gz UETONSTUPRGEJK-CABCVRRESA-N 0 0 346.431 3.518 50 70 EHIARN O=C1C[C@H](c2ccccc2)c2c(ccc3c(=O)c(Cl)coc32)O1 ZINC000217892036 241282179 /nfs/dbraw/zinc/28/21/79/241282179.db2.gz OYMONFDPDYQRRR-GFCCVEGCSA-N 0 0 326.735 3.887 50 70 biogenic EHIARN Cn1nc(CN(C(=O)c2cccs2)C2CCCC2)c2c1CCC2 ZINC000217909929 241283481 /nfs/dbraw/zinc/28/34/81/241283481.db2.gz UQZGZFYPWUEWIS-UHFFFAOYSA-N 0 0 329.469 3.555 50 70 EHIARN Cn1c(C(=O)NCCCc2nc3ccccc3o2)cc2ccccc21 ZINC000218346775 241316004 /nfs/dbraw/zinc/31/60/04/241316004.db2.gz LKPKSSCWBWRFBO-UHFFFAOYSA-N 0 0 333.391 3.682 50 70 EHIARN CO[C@H](CNC(=O)c1cccc(N(C)C)c1)c1ccccc1Cl ZINC000159491194 533186312 /nfs/dbraw/zinc/18/63/12/533186312.db2.gz LELSGFCZBZPRIQ-QGZVFWFLSA-N 0 0 332.831 3.524 50 70 EHIARN O=C(Nc1cccc2[nH]ccc21)Nc1ccccc1O[C@H]1CCOC1 ZINC000159399603 225210434 /nfs/dbraw/zinc/21/04/34/225210434.db2.gz LQXQZCGNUZWMBQ-ZDUSSCGKSA-N 0 0 337.379 3.980 50 70 EHIARN CC(C)c1cc([C@H]2CCCN2C(=O)c2scc3c2OCCO3)no1 ZINC000218005719 535370341 /nfs/dbraw/zinc/37/03/41/535370341.db2.gz AFGGVAGZTXNCRY-GFCCVEGCSA-N 0 0 348.424 3.608 50 70 EHIARN COC(=O)C[C@@H](c1cccc2ccccc21)c1c(O)cc(C)oc1=O ZINC000217973851 536313339 /nfs/dbraw/zinc/31/33/39/536313339.db2.gz ODQQYIFGCCCACJ-INIZCTEOSA-N 0 0 338.359 3.502 50 70 biogenic EHIARN COCCCn1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)n1 ZINC000160587218 564082181 /nfs/dbraw/zinc/08/21/81/564082181.db2.gz UETONSTUPRGEJK-HUUCEWRRSA-N 0 0 346.431 3.518 50 70 EHIARN Cc1cccc(-c2ccccc2C(=O)NCCc2nc(C3CC3)no2)c1 ZINC000217062972 241236833 /nfs/dbraw/zinc/23/68/33/241236833.db2.gz MAXWLLYTEANNRU-UHFFFAOYSA-N 0 0 347.418 3.895 50 70 EHIARN C[C@@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1 ZINC000217499781 241252071 /nfs/dbraw/zinc/25/20/71/241252071.db2.gz JADSURABKXWRFD-LJQANCHMSA-N 0 0 343.423 3.607 50 70 EHIARN Cc1sc(Cl)nc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000218131496 241299301 /nfs/dbraw/zinc/29/93/01/241299301.db2.gz BBLVCOHQAFCMJL-UHFFFAOYSA-N 0 0 336.829 3.876 50 70 EHIARN CC1(C)C[C@@H](NC(=O)c2scc3c2OCCO3)c2ccccc2O1 ZINC000218708279 241338379 /nfs/dbraw/zinc/33/83/79/241338379.db2.gz TWLCZCGMNXXUFV-GFCCVEGCSA-N 0 0 345.420 3.552 50 70 EHIARN Cc1cc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c[nH]c1=O ZINC000159444642 225218321 /nfs/dbraw/zinc/21/83/21/225218321.db2.gz YYQHPSQLHJDRDB-UHFFFAOYSA-N 0 0 330.693 3.608 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000217785147 534884077 /nfs/dbraw/zinc/88/40/77/534884077.db2.gz SRYXOFDJHVWJBQ-HNNXBMFYSA-N 0 0 333.343 3.584 50 70 biogenic EHIARN COCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)n1 ZINC000160587102 564082177 /nfs/dbraw/zinc/08/21/77/564082177.db2.gz UETONSTUPRGEJK-GJZGRUSLSA-N 0 0 346.431 3.518 50 70 EHIARN O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(=O)oc3ccccc3c2O1 ZINC000217617643 241263478 /nfs/dbraw/zinc/26/34/78/241263478.db2.gz XKLLSYUXXITVSP-OAHLLOKOSA-N 0 0 346.338 3.662 50 70 biogenic EHIARN C[C@@H](O)c1cc2n(n1)CCCN(Cc1csc3ccccc13)C2 ZINC000216911733 241219095 /nfs/dbraw/zinc/21/90/95/241219095.db2.gz RTJYGVAHPULVCW-CYBMUJFWSA-N 0 0 327.453 3.557 50 70 EHIARN Cc1nc(CNC(=O)[C@]2(c3ccccc3)CC23CCCC3)cs1 ZINC000217841889 241278463 /nfs/dbraw/zinc/27/84/63/241278463.db2.gz XGDYZPYAVYLLBV-LJQANCHMSA-N 0 0 326.465 3.970 50 70 EHIARN Cc1csc(C(=O)NCCn2nc(-c3cccs3)cc2C)c1 ZINC000217874304 241281073 /nfs/dbraw/zinc/28/10/73/241281073.db2.gz HGANSYJTWUOKLU-UHFFFAOYSA-N 0 0 331.466 3.720 50 70 EHIARN C[C@@H](Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000218135685 241299697 /nfs/dbraw/zinc/29/96/97/241299697.db2.gz SORKOQJWGKNJJG-ZDUSSCGKSA-N 0 0 329.469 3.510 50 70 EHIARN Cc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)n(C)n1 ZINC000160506524 564081812 /nfs/dbraw/zinc/08/18/12/564081812.db2.gz AHOGCUFTERVNGX-UHFFFAOYSA-N 0 0 346.390 3.713 50 70 EHIARN O=C(CCc1cccc(Cl)c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217685948 241268847 /nfs/dbraw/zinc/26/88/47/241268847.db2.gz UAOKSLPJKCNKRG-UHFFFAOYSA-N 0 0 339.826 3.775 50 70 EHIARN Nc1n[nH]c(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1Cl ZINC000218163840 241301576 /nfs/dbraw/zinc/30/15/76/241301576.db2.gz LCUGXCRWFKZFBB-LBPRGKRZSA-N 0 0 336.798 3.542 50 70 EHIARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2scc3c2OCCO3)no1 ZINC000218005632 535370147 /nfs/dbraw/zinc/37/01/47/535370147.db2.gz AFGGVAGZTXNCRY-LBPRGKRZSA-N 0 0 348.424 3.608 50 70 EHIARN O=C(CCc1c[nH]c2ccccc12)NCCn1ccc2ccccc21 ZINC000217603821 241263414 /nfs/dbraw/zinc/26/34/14/241263414.db2.gz LUZDGNDIGVFJOB-UHFFFAOYSA-N 0 0 331.419 3.872 50 70 biogenic EHIARN Cc1ncsc1CCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000216959932 241227614 /nfs/dbraw/zinc/22/76/14/241227614.db2.gz UGRQYYVYYHVYIR-NSHDSACASA-N 0 0 334.510 3.953 50 70 EHIARN Cc1cc(COc2ccccc2)oc1C(=O)NCC[C@@H]1CCCCO1 ZINC000217395186 241245586 /nfs/dbraw/zinc/24/55/86/241245586.db2.gz KCHKRMVIYPYVJP-KRWDZBQOSA-N 0 0 343.423 3.856 50 70 EHIARN C[C@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2s1 ZINC000217508472 241254245 /nfs/dbraw/zinc/25/42/45/241254245.db2.gz PFRXXFLYQYQYPX-DKFQHHCZSA-N 0 0 327.405 3.531 50 70 EHIARN C[C@](O)(CNC(=O)CSC1CCCC1)c1cc2ccccc2s1 ZINC000217501054 241254740 /nfs/dbraw/zinc/25/47/40/241254740.db2.gz RJCBPYJETTXORY-SFHVURJKSA-N 0 0 349.521 3.901 50 70 EHIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccoc1 ZINC000217880169 241281523 /nfs/dbraw/zinc/28/15/23/241281523.db2.gz WXONCQIEJNNLBT-UHFFFAOYSA-N 0 0 327.409 3.512 50 70 EHIARN Cn1nc(CN(C(=O)Nc2ccccc2)C2CCCC2)c2c1CCC2 ZINC000217911742 241284489 /nfs/dbraw/zinc/28/44/89/241284489.db2.gz USBYSPWDMLCKRV-UHFFFAOYSA-N 0 0 338.455 3.886 50 70 EHIARN C[C@](O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2o1 ZINC000217994666 241289683 /nfs/dbraw/zinc/28/96/83/241289683.db2.gz LDJKLEARQSCEIP-FQEVSTJZSA-N 0 0 341.382 3.528 50 70 EHIARN CSc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1 ZINC000218308926 241312650 /nfs/dbraw/zinc/31/26/50/241312650.db2.gz WYWXTMABPFZMGR-CQSZACIVSA-N 0 0 328.389 3.758 50 70 EHIARN COc1ccnc(CNC(=O)C2c3ccccc3-c3ccccc32)c1 ZINC000218314031 241313398 /nfs/dbraw/zinc/31/33/98/241313398.db2.gz XFAOZXPZTCZZOI-UHFFFAOYSA-N 0 0 330.387 3.519 50 70 EHIARN O=C(Cc1c(F)ccc(F)c1F)NCc1cc2cc(F)ccc2[nH]1 ZINC000218750409 241343557 /nfs/dbraw/zinc/34/35/57/241343557.db2.gz LFYRGACNLYNAJM-UHFFFAOYSA-N 0 0 336.288 3.583 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)O2 ZINC000217764575 534883687 /nfs/dbraw/zinc/88/36/87/534883687.db2.gz LRBPDYZZHMWDKW-MRXNPFEDSA-N 0 0 340.375 3.823 50 70 biogenic EHIARN CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccsc1)CC(=O)O3 ZINC000217730955 241273328 /nfs/dbraw/zinc/27/33/28/241273328.db2.gz JQFPKJAAGDSPOU-GFCCVEGCSA-N 0 0 328.389 3.933 50 70 biogenic EHIARN C[C@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2s1 ZINC000217498294 241252023 /nfs/dbraw/zinc/25/20/23/241252023.db2.gz ARFVJACHDXBOTF-BLGFXRMMSA-N 0 0 327.405 3.531 50 70 EHIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccccc1C(F)(F)F ZINC000217531316 241256613 /nfs/dbraw/zinc/25/66/13/241256613.db2.gz QDEOSJHCSNPSQA-CYBMUJFWSA-N 0 0 329.343 3.620 50 70 EHIARN Cc1scc(C(=O)N[C@H](C)Cc2cnccn2)c1-c1ccccc1 ZINC000218410903 241319605 /nfs/dbraw/zinc/31/96/05/241319605.db2.gz RGTRYEBMIGOPTI-CYBMUJFWSA-N 0 0 337.448 3.875 50 70 EHIARN CC[C@@H]1[C@@H](NC(=O)CSCc2ccccc2Cl)[C@@H]2CCO[C@H]12 ZINC000218294806 535957843 /nfs/dbraw/zinc/95/78/43/535957843.db2.gz UWQUUKVMYCJZCD-DLTLXFJOSA-N 0 0 339.888 3.503 50 70 EHIARN c1csc([C@H]2CN(Cc3cnc(-c4ccccc4)s3)CCO2)n1 ZINC000161436815 563998521 /nfs/dbraw/zinc/99/85/21/563998521.db2.gz BTJDPGXFMVDGQU-OAHLLOKOSA-N 0 0 343.477 3.840 50 70 EHIARN Cc1noc(-c2ccsc2NC(=O)c2ccc3ncsc3c2)n1 ZINC000217647315 241266403 /nfs/dbraw/zinc/26/64/03/241266403.db2.gz BXURVMCRTWPUMK-UHFFFAOYSA-N 0 0 342.405 3.969 50 70 EHIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1 ZINC000217534137 241256737 /nfs/dbraw/zinc/25/67/37/241256737.db2.gz XNZOFWCSOGDYTL-CYBMUJFWSA-N 0 0 345.342 3.500 50 70 EHIARN CCN(Cc1noc(C2CCC2)n1)C(=O)CCc1ccc(F)c(F)c1 ZINC000218084403 241295364 /nfs/dbraw/zinc/29/53/64/241295364.db2.gz YSBMFOSUWRRFQS-UHFFFAOYSA-N 0 0 349.381 3.597 50 70 EHIARN CSc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000218267145 241311547 /nfs/dbraw/zinc/31/15/47/241311547.db2.gz CJWNRAGEJNWRSK-INIZCTEOSA-N 0 0 342.464 3.625 50 70 EHIARN Cc1nn(C)c2nc3c(c(C(=O)Nc4cccc(Cl)c4)c12)CCC3 ZINC000218559377 241331321 /nfs/dbraw/zinc/33/13/21/241331321.db2.gz QNXOQVIQZHKFQO-UHFFFAOYSA-N 0 0 340.814 3.671 50 70 EHIARN CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc2c1N=S=N2 ZINC000159717114 529260423 /nfs/dbraw/zinc/26/04/23/529260423.db2.gz SJJQGOCSPOMDSP-ZDUSSCGKSA-N 0 0 348.453 3.580 50 70 EHIARN Cc1noc(C)c1CCC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217582394 241261242 /nfs/dbraw/zinc/26/12/42/241261242.db2.gz WYOLUXQOIHBLLF-UHFFFAOYSA-N 0 0 332.469 3.914 50 70 EHIARN COC(=O)COc1ccc2occ(-c3ccc(OC)c(OC)c3)c2c1 ZINC000217613069 241263736 /nfs/dbraw/zinc/26/37/36/241263736.db2.gz WCUQGCVQSJCGGN-UHFFFAOYSA-N 0 0 342.347 3.669 50 70 biogenic EHIARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C ZINC000218421506 241322517 /nfs/dbraw/zinc/32/25/17/241322517.db2.gz FLQCXVFMIVYWSN-KRWDZBQOSA-N 0 0 325.387 3.840 50 70 EHIARN O=C(CC1(n2cccc2)CCOCC1)Nc1cccc2ncccc21 ZINC000218251159 241307228 /nfs/dbraw/zinc/30/72/28/241307228.db2.gz WLTUSPAYHNGTSS-UHFFFAOYSA-N 0 0 335.407 3.571 50 70 EHIARN Cc1nc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c(C)s1 ZINC000218296698 241312569 /nfs/dbraw/zinc/31/25/69/241312569.db2.gz ZBLHEONDROVQAF-HNNXBMFYSA-N 0 0 342.468 3.774 50 70 EHIARN Cc1ccc([C@H]2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1 ZINC000159738742 225269927 /nfs/dbraw/zinc/26/99/27/225269927.db2.gz QIVYJYYRVSUHRT-CQSZACIVSA-N 0 0 340.301 3.611 50 70 EHIARN C[C@@](O)(CNC(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000217580328 241260906 /nfs/dbraw/zinc/26/09/06/241260906.db2.gz HYEBHZMULDWJSD-QGZVFWFLSA-N 0 0 344.461 3.509 50 70 EHIARN C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2s1 ZINC000217500767 241254337 /nfs/dbraw/zinc/25/43/37/241254337.db2.gz GHURXTHRWYYPAC-GOSISDBHSA-N 0 0 347.386 3.817 50 70 EHIARN O=C(NC[C@H](c1ccccc1)C1CCCC1)c1cc(Cl)c[nH]c1=O ZINC000218396498 241319272 /nfs/dbraw/zinc/31/92/72/241319272.db2.gz DTVFMELBIBISPL-QGZVFWFLSA-N 0 0 344.842 3.732 50 70 EHIARN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc2c1N=S=N2 ZINC000159717239 529187330 /nfs/dbraw/zinc/18/73/30/529187330.db2.gz SJJQGOCSPOMDSP-CYBMUJFWSA-N 0 0 348.453 3.580 50 70 EHIARN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)nc(N)n1 ZINC000217170416 535348657 /nfs/dbraw/zinc/34/86/57/535348657.db2.gz MOIRCOYVUYBJKU-QGZVFWFLSA-N 0 0 342.418 3.689 50 70 EHIARN Cc1nc(-c2ccccc2NC(=O)c2c(C)nn(C)c2C)cs1 ZINC000218600302 564061860 /nfs/dbraw/zinc/06/18/60/564061860.db2.gz JGBQZKUSOUSDFC-UHFFFAOYSA-N 0 0 326.425 3.721 50 70 EHIARN COc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cc(OC)c1OC ZINC000160013089 564062129 /nfs/dbraw/zinc/06/21/29/564062129.db2.gz TZJQJINUWAFKHM-STQMWFEESA-N 0 0 347.436 3.825 50 70 EHIARN C[C@@H]1CCO[C@@H]1C(=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000160853738 564088819 /nfs/dbraw/zinc/08/88/19/564088819.db2.gz JYOQGCYQIAQKNM-DIFFPNOSSA-N 0 0 339.347 3.620 50 70 EHIARN CC(=O)NC1CCC(Nc2cccc(N3CCCCCC3)c2)CC1 ZINC000161186966 564119118 /nfs/dbraw/zinc/11/91/18/564119118.db2.gz DPQHHAPWRFRUOZ-UHFFFAOYSA-N 0 0 329.488 3.926 50 70 EHIARN CCc1nnc(-c2ccc(NC(=O)Nc3c(C)onc3CC)cc2)o1 ZINC000161451915 564132163 /nfs/dbraw/zinc/13/21/63/564132163.db2.gz BCAQAPYMLQOUSC-UHFFFAOYSA-N 0 0 341.371 3.802 50 70 EHIARN Cc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)s1 ZINC000217483500 241251981 /nfs/dbraw/zinc/25/19/81/241251981.db2.gz XPPUKEIJGRUFBA-UHFFFAOYSA-N 0 0 341.523 3.908 50 70 EHIARN O=C(COc1ccc(F)cc1)NCC1(c2ccsc2)CCCC1 ZINC000217481754 241253195 /nfs/dbraw/zinc/25/31/95/241253195.db2.gz RSZKIHGUZCIUHT-UHFFFAOYSA-N 0 0 333.428 3.894 50 70 EHIARN C[C@@](O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2o1 ZINC000217994575 241289850 /nfs/dbraw/zinc/28/98/50/241289850.db2.gz LDJKLEARQSCEIP-HXUWFJFHSA-N 0 0 341.382 3.528 50 70 EHIARN CC1(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 ZINC000218654247 535115189 /nfs/dbraw/zinc/11/51/89/535115189.db2.gz LWTGTRFUMZKKKT-MKJPBZQASA-N 0 0 338.451 3.743 50 70 EHIARN O=C(NC[C@@H]1CCCCO1)c1ccccc1OCCc1ccccc1 ZINC000217153147 241238471 /nfs/dbraw/zinc/23/84/71/241238471.db2.gz SQFHYDRHTFLVDZ-SFHVURJKSA-N 0 0 339.435 3.607 50 70 EHIARN Cc1noc2nc3c(c(C(=O)NCCC4=CCCCC4)c12)CCC3 ZINC000218188120 241304449 /nfs/dbraw/zinc/30/44/49/241304449.db2.gz NQYOVYJMKDMOLA-UHFFFAOYSA-N 0 0 325.412 3.640 50 70 EHIARN CN(Cc1ccc2ncccc2c1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000217706048 536474166 /nfs/dbraw/zinc/47/41/66/536474166.db2.gz JOFDILMIBPZZPO-UHFFFAOYSA-N 0 0 340.810 3.795 50 70 EHIARN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)nc(N)n1 ZINC000217170424 535349904 /nfs/dbraw/zinc/34/99/04/535349904.db2.gz MOIRCOYVUYBJKU-KRWDZBQOSA-N 0 0 342.418 3.689 50 70 EHIARN CC[C@H](NC(=O)c1cccc(-c2cccc(F)c2)c1)[C@H]1C[C@@H](O)C1 ZINC000218487681 535882204 /nfs/dbraw/zinc/88/22/04/535882204.db2.gz GZLIFFUVNAUVPC-WDSOQIARSA-N 0 0 327.399 3.772 50 70 EHIARN CSc1ccc(/C=C/C(=O)NC[C@](C)(O)c2cccs2)cc1 ZINC000217581579 241260975 /nfs/dbraw/zinc/26/09/75/241260975.db2.gz WAKJRNBFCPWGFU-JEJOPICUSA-N 0 0 333.478 3.507 50 70 EHIARN Cc1ccc(-c2nnco2)cc1NC(=O)N(C)OCc1ccccc1 ZINC000160184776 564065216 /nfs/dbraw/zinc/06/52/16/564065216.db2.gz TVZCSALIEORUGR-UHFFFAOYSA-N 0 0 338.367 3.641 50 70 EHIARN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)C2)c1 ZINC000160436529 564081657 /nfs/dbraw/zinc/08/16/57/564081657.db2.gz UUHYNTPLBNOTSV-ZDUSSCGKSA-N 0 0 349.356 3.742 50 70 EHIARN c1nc(COc2cccc(NC3CCC4(CC3)OCCO4)c2)cs1 ZINC000161164341 564118395 /nfs/dbraw/zinc/11/83/95/564118395.db2.gz VWMHXOFTYFHAIA-UHFFFAOYSA-N 0 0 346.452 3.820 50 70 EHIARN Cc1n[nH]c(C)c1CCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000217698179 241271107 /nfs/dbraw/zinc/27/11/07/241271107.db2.gz VJGXYDNRXQOZKW-NRFANRHFSA-N 0 0 337.467 3.587 50 70 EHIARN CSCc1ccc(C(=O)N2CCC3(CNc4ccccc43)CC2)o1 ZINC000217754591 241272989 /nfs/dbraw/zinc/27/29/89/241272989.db2.gz BCEKXNGUZYVKIT-UHFFFAOYSA-N 0 0 342.464 3.742 50 70 EHIARN C[C@@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2s1 ZINC000217521172 241254984 /nfs/dbraw/zinc/25/49/84/241254984.db2.gz FWJWVCZUTZBKAP-MRXNPFEDSA-N 0 0 332.450 3.992 50 70 EHIARN CSc1ccccc1C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217885948 241281602 /nfs/dbraw/zinc/28/16/02/241281602.db2.gz UKMUMBYAVYGEJO-UHFFFAOYSA-N 0 0 343.477 3.764 50 70 EHIARN CC[C@@H](NC(=O)c1cccc(-c2cccc(F)c2)c1)[C@H]1C[C@@H](O)C1 ZINC000218487590 535800782 /nfs/dbraw/zinc/80/07/82/535800782.db2.gz GZLIFFUVNAUVPC-BHIYHBOVSA-N 0 0 327.399 3.772 50 70 EHIARN O[C@@H](C[C@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 ZINC000161176770 564118799 /nfs/dbraw/zinc/11/87/99/564118799.db2.gz OAHZUPZAXFDBQK-SJORKVTESA-N 0 0 327.403 3.586 50 70 EHIARN CC(=O)c1csc(C(=O)Nc2ccccc2-n2ccc(C)n2)c1 ZINC000161293206 564121207 /nfs/dbraw/zinc/12/12/07/564121207.db2.gz AODHGPRERZHEAT-UHFFFAOYSA-N 0 0 325.393 3.697 50 70 EHIARN C[C@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2s1 ZINC000217499047 241252373 /nfs/dbraw/zinc/25/23/73/241252373.db2.gz SRUWFESMBNDQIN-SGWGQVFISA-N 0 0 337.444 3.938 50 70 EHIARN C[C@@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2s1 ZINC000217508384 241255276 /nfs/dbraw/zinc/25/52/76/241255276.db2.gz PFRXXFLYQYQYPX-IPLHWJFFSA-N 0 0 327.405 3.531 50 70 EHIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cccs2)cc1C1CC1 ZINC000217895080 241280875 /nfs/dbraw/zinc/28/08/75/241280875.db2.gz SYVFORXCKLIXPA-UHFFFAOYSA-N 0 0 341.436 3.795 50 70 EHIARN CC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(C)no1 ZINC000218776156 241345250 /nfs/dbraw/zinc/34/52/50/241345250.db2.gz MDHPDCPSKPEULE-AWEZNQCLSA-N 0 0 333.819 3.721 50 70 EHIARN Cc1ccc([C@@H]2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1 ZINC000159738604 225268899 /nfs/dbraw/zinc/26/88/99/225268899.db2.gz QIVYJYYRVSUHRT-AWEZNQCLSA-N 0 0 340.301 3.611 50 70 EHIARN C[C@H]1CCO[C@H]1C(=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000160854119 564088833 /nfs/dbraw/zinc/08/88/33/564088833.db2.gz 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/nfs/dbraw/zinc/25/75/13/528257513.db2.gz HKDJPYYINLMCOH-UHFFFAOYSA-N 0 0 340.452 3.957 50 70 EHIARN O=C(Nc1cnn(CC2CCOCC2)c1)Nc1cccc(Cl)c1 ZINC000218233850 564057832 /nfs/dbraw/zinc/05/78/32/564057832.db2.gz XUJQNOBAUALTKA-UHFFFAOYSA-N 0 0 334.807 3.607 50 70 EHIARN O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217808131 241275774 /nfs/dbraw/zinc/27/57/74/241275774.db2.gz PVZAOJQNLLZSFR-LBPRGKRZSA-N 0 0 345.830 3.695 50 70 EHIARN C[C@@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2s1 ZINC000217498228 241253423 /nfs/dbraw/zinc/25/34/23/241253423.db2.gz ARFVJACHDXBOTF-GFOMBABLSA-N 0 0 327.405 3.531 50 70 EHIARN CC(C)Oc1ccc(C(=O)N(C)Cc2cnc3ccccc3n2)cc1 ZINC000218081956 241296694 /nfs/dbraw/zinc/29/66/94/241296694.db2.gz ALCUVMUEXJRQPP-UHFFFAOYSA-N 0 0 335.407 3.689 50 70 EHIARN CCCO[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000218576477 241332615 /nfs/dbraw/zinc/33/26/15/241332615.db2.gz LMWGMEPGGPYWNC-AWEZNQCLSA-N 0 0 329.362 3.666 50 70 EHIARN Cc1cc(C[C@H](C)NC(=O)C2(c3ccccc3)CCCCC2)[nH]n1 ZINC000218703974 241339846 /nfs/dbraw/zinc/33/98/46/241339846.db2.gz PSRUCFIRGJCTLW-HNNXBMFYSA-N 0 0 325.456 3.667 50 70 EHIARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000217901970 534762927 /nfs/dbraw/zinc/76/29/27/534762927.db2.gz JMPKVVOBZPYKCS-UHFFFAOYSA-N 0 0 346.390 3.720 50 70 biogenic EHIARN FC(F)(F)c1ccccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000161437956 564003122 /nfs/dbraw/zinc/00/31/22/564003122.db2.gz OJDPPZINEBIFKZ-CYBMUJFWSA-N 0 0 328.359 3.735 50 70 EHIARN O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](c2ccncn2)C1 ZINC000217619488 241262173 /nfs/dbraw/zinc/26/21/73/241262173.db2.gz JHDYDGZYZHRQPT-HNNXBMFYSA-N 0 0 341.480 3.827 50 70 EHIARN CC[C@@H](NC(=O)c1csc2c1CCCC2)c1cn2cccnc2n1 ZINC000217786212 241275236 /nfs/dbraw/zinc/27/52/36/241275236.db2.gz HBAVXMAUGSCUOM-CQSZACIVSA-N 0 0 340.452 3.551 50 70 EHIARN Cc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217818327 241277909 /nfs/dbraw/zinc/27/79/09/241277909.db2.gz CMECJLLXTNSVEY-CQSZACIVSA-N 0 0 340.427 3.742 50 70 EHIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000217785225 534883797 /nfs/dbraw/zinc/88/37/97/534883797.db2.gz SRYXOFDJHVWJBQ-OAHLLOKOSA-N 0 0 333.343 3.584 50 70 biogenic EHIARN CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1ccc2c(c1)nc(C)n2C ZINC000217999935 535238984 /nfs/dbraw/zinc/23/89/84/535238984.db2.gz XRUQYNMQPUYXPY-HXUWFJFHSA-N 0 0 331.419 3.601 50 70 EHIARN