smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)CCc6ccc(O)c(O)c6)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095098953 291914540 /nfs/dbraw/zinc/91/45/40/291914540.db2.gz QQTDTCQXYIFZKZ-NVCBHGOCSA-N 0 0 624.903 7.789 1 10 biogenic,in-vitro KKCFRN CCCCCc1cc([C@@H]2CC[C@@H]3[C@@H](O)C[C@@H](c4c(CO)c(O)c(O)c(OC)c4Cc4cc[nH]c4)O[C@H]3C2)ccc1O ZINC000085596364 291935516 /nfs/dbraw/zinc/93/55/16/291935516.db2.gz OUOAKBUTAZPQIR-ZDCMDWEJSA-N 0 0 564.699 5.517 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@@H]5C=CC[C@@H](C)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596329 291964193 /nfs/dbraw/zinc/96/41/93/291964193.db2.gz ZWXZSZHRCXBPKN-BGDNBWHSSA-N 0 0 588.721 5.854 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCCC2)ccc1O ZINC000085625849 291968416 /nfs/dbraw/zinc/96/84/16/291968416.db2.gz NSRVRSOYGXMXHK-CLJLJLNGSA-N 0 0 564.675 5.540 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625792 291968443 /nfs/dbraw/zinc/96/84/43/291968443.db2.gz RRMSISNTQHMNKL-LOYHVIPDSA-N 0 0 638.717 6.172 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCC2)ccc1O ZINC000085626230 291974536 /nfs/dbraw/zinc/97/45/36/291974536.db2.gz RVLHVEJXWRFPSS-KCWPFWIISA-N 0 0 518.650 6.141 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCC(C)C)c3)CCc3c(ccc4cc(O)ccc43)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625661 519096373 /nfs/dbraw/zinc/09/63/73/519096373.db2.gz SOPNRCWKJYYNDF-WZIOMHBQSA-N 0 0 760.928 8.955 1 10 biogenic,in-vitro KKCFRN CC[C@H](C(=O)C(=O)[C@H](CC)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000001861604 561679830 /nfs/dbraw/zinc/67/98/30/561679830.db2.gz POHCWNHEQVWZIR-PWMMRZDQSA-N 0 0 520.588 5.887 1 10 KKCFRN Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935896 561681142 /nfs/dbraw/zinc/68/11/42/561681142.db2.gz SHWUOIMPXWMTID-AUSIDOKSSA-N 0 0 503.755 5.650 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)c2ccc(C[NH+](C)C)cc2)C(=O)[O-])cc1 ZINC000004137618 561694020 /nfs/dbraw/zinc/69/40/20/561694020.db2.gz KQBFGNMCYBISJJ-UUWRZZSWSA-N 0 0 603.719 6.672 1 10 KKCFRN CC(=O)O[C@H]1/C(=C/c2ccc(N(C)C)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005596285 561697280 /nfs/dbraw/zinc/69/72/80/561697280.db2.gz YQMXCSADZMRRNC-LECUOJOOSA-N 0 0 505.699 6.572 1 10 KKCFRN O=C(Nc1ccc(N2C(=O)CS[C@@H]2c2ccccc2O)cc1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2O)cc1 ZINC000006005038 561701317 /nfs/dbraw/zinc/70/13/17/561701317.db2.gz GNLUEPSZHATBLB-IOWSJCHKSA-N 0 0 583.691 5.907 1 10 KKCFRN CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)cc2c1 ZINC000006040774 561702236 /nfs/dbraw/zinc/70/22/36/561702236.db2.gz QLXCRSBVRPQPDE-OYKKKHCWSA-N 0 0 527.646 6.530 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1C)[C@@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000026166408 561769324 /nfs/dbraw/zinc/76/93/24/561769324.db2.gz SXZLYNGXPBMUFE-UHSQPCAPSA-N 0 0 504.074 5.290 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@@H](c1ccccc1C)[C@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000026166394 561769369 /nfs/dbraw/zinc/76/93/69/561769369.db2.gz SXZLYNGXPBMUFE-LITSAYRRSA-N 0 0 504.074 5.290 1 10 KKCFRN COc1c(-c2c(C)cc3c(c(C=O)c(O)c(O)c3C(C)C)c2OC)c(C)cc2c1c(C=O)c(O)c(O)c2C(C)C ZINC000026988119 561832318 /nfs/dbraw/zinc/83/23/18/561832318.db2.gz OCTKFTDWELPEGU-UHFFFAOYSA-N 0 0 546.616 6.988 1 10 KKCFRN CC(C)=CCN(C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000027426848 561858507 /nfs/dbraw/zinc/85/85/07/561858507.db2.gz YZUXQPDEZZNVOJ-IUDBTDONSA-N 0 0 562.799 6.543 1 10 KKCFRN O=C(c1ccc(Cl)cc1)C1CCN(Cc2cc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)c([O-])c(F)c2F)CC1 ZINC000027862287 561887278 /nfs/dbraw/zinc/88/72/78/561887278.db2.gz GAVOIHLQYROMSW-UHFFFAOYSA-N 0 0 601.521 7.167 1 10 KKCFRN [O-]c1cc(F)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c(F)c1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000027869407 561888081 /nfs/dbraw/zinc/88/80/81/561888081.db2.gz NAEHORZTUYZJIB-UHFFFAOYSA-N 0 0 577.499 5.944 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027993577 561893435 /nfs/dbraw/zinc/89/34/35/561893435.db2.gz VMUOFFFWZGGOFF-SVAJZEFYSA-N 0 0 704.659 6.182 1 10 KKCFRN Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000028001237 561894701 /nfs/dbraw/zinc/89/47/01/561894701.db2.gz OWXYHUWHKHEXFZ-BNHMMOKISA-N 0 0 719.674 5.571 1 10 KKCFRN COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCCCN1CCN(c2ccccc2Cl)CC1 ZINC000028568018 561937123 /nfs/dbraw/zinc/93/71/23/561937123.db2.gz XFNLRLOKXOBAQF-UHFFFAOYSA-N 0 0 609.078 6.393 1 10 KKCFRN COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1)(c1ccc(F)cc1)C2=O ZINC000028571219 561939319 /nfs/dbraw/zinc/93/93/19/561939319.db2.gz ZVPCRFGVNOUFBK-WNCULLNHSA-N 0 0 530.379 5.606 1 10 KKCFRN C[C@]1(COc2ccc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000028604513 561940709 /nfs/dbraw/zinc/94/07/09/561940709.db2.gz DMAIXEPFPJEFMX-XMMPIXPASA-N 0 0 518.492 5.088 1 10 KKCFRN COc1ccc(N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)CC2)cc1 ZINC000028768856 561960569 /nfs/dbraw/zinc/96/05/69/561960569.db2.gz CUCILMLQFMJZDA-UHFFFAOYSA-N 0 0 506.528 5.968 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(C(=O)N(C)C)cc1 ZINC000028822628 561967468 /nfs/dbraw/zinc/96/74/68/561967468.db2.gz FNFCPLCCCGIVIU-UHFFFAOYSA-N 0 0 525.393 6.774 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338915 562057535 /nfs/dbraw/zinc/05/75/35/562057535.db2.gz DKUYTKHBPXDTOL-UHFFFAOYSA-N 0 0 539.039 6.244 1 10 KKCFRN COc1ccc([C@H]2CC(c3c(O)ccc4ccccc43)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000038178034 562070531 /nfs/dbraw/zinc/07/05/31/562070531.db2.gz PAVDIAZJLWDSLA-JOCHJYFZSA-N 0 0 514.494 5.735 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000040901261 562083532 /nfs/dbraw/zinc/08/35/32/562083532.db2.gz QGUDADANUNQPLT-PWQPNNMMSA-N 0 0 501.543 5.528 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000040901264 562083555 /nfs/dbraw/zinc/08/35/55/562083555.db2.gz QGUDADANUNQPLT-VXXBUXGOSA-N 0 0 501.543 5.528 1 10 KKCFRN CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OC)c2)O1 ZINC000085597303 560063045 /nfs/dbraw/zinc/06/30/45/560063045.db2.gz HSCLKJDDKVVEOH-PPZUDANNSA-N 0 0 502.604 5.412 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)CC[C@H]2CCC(C)C)c(O)c(OC)c1)OC(C)=O ZINC000085627702 560068806 /nfs/dbraw/zinc/06/88/06/560068806.db2.gz LMHOPXNJLHEMNW-UODIDJSMSA-N 0 0 505.696 5.524 1 10 biogenic,in-vitro KKCFRN CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCc1ccccc1 ZINC000085627666 560068844 /nfs/dbraw/zinc/06/88/44/560068844.db2.gz KXOOWQNSBQAQIP-CQTOTRCISA-N 0 0 593.805 7.035 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CC3(CCCC3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627606 560068847 /nfs/dbraw/zinc/06/88/47/560068847.db2.gz ZVKVWRHVEXCKFH-XTEPFMGCSA-N 0 0 543.745 6.202 1 10 biogenic,in-vitro KKCFRN CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c(O)c3c(cc2O1)OC(C)(C)[C@H](O)C3 ZINC000014719922 560224847 /nfs/dbraw/zinc/22/48/47/560224847.db2.gz BTDKFPKJPIGYFD-ZDUHKQCDSA-N 0 0 508.611 5.820 1 10 in-vitro KKCFRN Nc1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000043532514 562649394 /nfs/dbraw/zinc/64/93/94/562649394.db2.gz UALANAWADBHZDD-NOCHOARKSA-N 0 0 600.763 5.292 1 10 KKCFRN Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000044032194 562651765 /nfs/dbraw/zinc/65/17/65/562651765.db2.gz FJZSWASQTZPUAP-SAIUNTKASA-N 0 0 586.736 5.614 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418952 562657391 /nfs/dbraw/zinc/65/73/91/562657391.db2.gz YDKYBTAVXJESJH-DUMVHPQHSA-N 0 0 535.442 6.383 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419051 562657410 /nfs/dbraw/zinc/65/74/10/562657410.db2.gz BEIDKQKEZYWDLQ-OUUPHGMSSA-N 0 0 535.442 6.383 1 10 KKCFRN COc1cc2cccnc2c(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(F)cc2)c1 ZINC000045373107 562662285 /nfs/dbraw/zinc/66/22/85/562662285.db2.gz IRHDACAMQZWOKS-QFIPXVFZSA-N 0 0 514.645 6.372 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](Nc1ccc(Cc2ccc(N[C@H](c3ccc(N(C)C)cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(N(C)C)cc1 ZINC000049679567 562668943 /nfs/dbraw/zinc/66/89/43/562668943.db2.gz CRAJQFIWMVYGFE-PDZRJKAFSA-N 0 0 736.831 10.163 1 10 KKCFRN CCCCc1nc(Cl)c([C@H]2CC(c3cc(Cl)ccc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049780827 562682326 /nfs/dbraw/zinc/68/23/26/562682326.db2.gz OBMLPGPUZRCJBZ-HXUWFJFHSA-N 0 0 546.911 7.897 1 10 KKCFRN O=C1[C@@H](CCn2cc(CO[C@@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000049836548 562687949 /nfs/dbraw/zinc/68/79/49/562687949.db2.gz WVULPKGXVXJPEV-IJERKEDCSA-N 0 0 620.662 5.157 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2ccc(Br)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000049841364 562688283 /nfs/dbraw/zinc/68/82/83/562688283.db2.gz HNIMSEJVBNNVED-CQTOTRCISA-N 0 0 692.448 8.851 1 10 KKCFRN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000049872070 562689728 /nfs/dbraw/zinc/68/97/28/562689728.db2.gz UAXXHBHAROBQRS-UHFFFAOYSA-N 0 0 526.250 5.902 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(-c4ccccc4)c3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064528029 562707237 /nfs/dbraw/zinc/70/72/37/562707237.db2.gz SBSRXOGGDNPLGW-QQXSKIMKSA-N 0 0 546.520 7.429 1 10 KKCFRN Nc1ccc(Oc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+](=O)[O-])cc2)cc1 ZINC000066074621 562709878 /nfs/dbraw/zinc/70/98/78/562709878.db2.gz WHWYGHCFNZDLJF-UHFFFAOYSA-N 0 0 529.376 5.488 1 10 KKCFRN O=C1C(=Cc2ccc(-c3cccc(-c4nn[nH]n4)c3F)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066104048 562711601 /nfs/dbraw/zinc/71/16/01/562711601.db2.gz FWFAEICJKFSNCU-YVLHZVERSA-N 0 0 517.489 5.690 1 10 KKCFRN O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1 ZINC000071319169 562718756 /nfs/dbraw/zinc/71/87/56/562718756.db2.gz YFFRSDLDFDZFDG-UHFFFAOYSA-N 0 0 530.624 5.925 1 10 KKCFRN CCC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072123475 562724726 /nfs/dbraw/zinc/72/47/26/562724726.db2.gz PPISYKZEUFNMRB-QASPDRGBSA-N 0 0 719.674 5.967 1 10 KKCFRN CC/C=C\CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072125135 562725209 /nfs/dbraw/zinc/72/52/09/562725209.db2.gz AXQGABWRYCSSGR-KBPIFMEWSA-N 0 0 731.685 5.963 1 10 KKCFRN CC/C=C/CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072125932 562725268 /nfs/dbraw/zinc/72/52/68/562725268.db2.gz AXQGABWRYCSSGR-XHCACVIFSA-N 0 0 731.685 5.963 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc([S@@](C)=O)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000072128666 562726207 /nfs/dbraw/zinc/72/62/07/562726207.db2.gz VIIPAODEWOVOHT-XSMLMOGHSA-N 0 0 738.902 9.727 1 10 KKCFRN CCCCc1nc(Cl)c(C(=O)OCCCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073275499 562737264 /nfs/dbraw/zinc/73/72/64/562737264.db2.gz HIYSQFVPTZPXMO-UHFFFAOYSA-N 0 0 587.080 5.975 1 10 KKCFRN CCN(CC)c1ccc(/C=C/C2=[NH+]N(c3cccc(S(=O)(=O)[O-])c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000073278467 562737351 /nfs/dbraw/zinc/73/73/51/562737351.db2.gz XVOPTXISUUVNFQ-IRFZZDGWSA-N 0 0 619.794 6.103 1 10 KKCFRN CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC(=O)/C=C/c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1 ZINC000073370222 562738368 /nfs/dbraw/zinc/73/83/68/562738368.db2.gz VFEIUJLBRFAALJ-YYHNMDQZSA-N 0 0 590.636 8.094 1 10 KKCFRN CCCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000082153980 562740261 /nfs/dbraw/zinc/74/02/61/562740261.db2.gz BBLKHBOCIABIID-BUFPPZMGSA-N 0 0 529.687 5.108 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@@H](c1ccc(Cl)cc1)[C@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000084462362 562743102 /nfs/dbraw/zinc/74/31/02/562743102.db2.gz JCHBJPWKVVPENR-LBNVMWSVSA-N 0 0 524.492 5.635 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084690379 562749543 /nfs/dbraw/zinc/74/95/43/562749543.db2.gz JNNKHMAUBYLIIO-UHFFFAOYSA-N 0 0 649.651 7.855 1 10 KKCFRN CCC1(Cn2ncn(-c3ccc(N4CCN(c5ccc(OC[C@@H]6CO[C@@](Cn7cncn7)(c7ccc(Cl)cc7Cl)O6)cc5)CC4)cc3)c2=O)COC1 ZINC000095548990 562759655 /nfs/dbraw/zinc/75/96/55/562759655.db2.gz IEIRYDOOYBLOKD-WECIHKQLSA-N 0 0 747.684 5.033 1 10 KKCFRN O=C1CS[C@H](c2ccccc2O)N1c1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(N2C(=O)CS[C@H]2c2ccccc2O)ccc1N=3 ZINC000095550566 562760264 /nfs/dbraw/zinc/76/02/64/562760264.db2.gz FPEDOGBHCJYZEI-TYHGNQNSSA-N 0 0 741.634 8.076 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)C(=C4C(=O)Nc5ccc(Br)cc54)S3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095555236 562761518 /nfs/dbraw/zinc/76/15/18/562761518.db2.gz RPCSQXKJEVGIOT-VNRABVQOSA-N 0 0 593.890 6.905 1 10 KKCFRN COc1ccc([C@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096915643 562800986 /nfs/dbraw/zinc/80/09/86/562800986.db2.gz DTQCOGRYBRJIJE-SANMLTNESA-N 0 0 514.033 6.583 1 10 KKCFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(Cl)cc1 ZINC000096915651 562801022 /nfs/dbraw/zinc/80/10/22/562801022.db2.gz VDGQWYHEPOPSGQ-VWLOTQADSA-N 0 0 518.452 7.228 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6cncn6C)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1F ZINC000096922254 562801732 /nfs/dbraw/zinc/80/17/32/562801732.db2.gz IOANVWASYLHJSU-XIFFEERXSA-N 0 0 749.842 7.333 1 10 KKCFRN Cc1cc2c3c(c1-c1c4c5c(c(O)c(O)c(C(C)C)c5cc1C)C(=N)O4)OC(=N)c3c(O)c(O)c2C(C)C ZINC000100652563 562807207 /nfs/dbraw/zinc/80/72/07/562807207.db2.gz RBFMXSCFUBMKHQ-UHFFFAOYSA-N 0 0 512.562 6.782 1 10 KKCFRN COc1ccc(/C=C2/SC(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000103183849 562815285 /nfs/dbraw/zinc/81/52/85/562815285.db2.gz OHSGYVAEAZAKRK-RZZUAFPKSA-N 0 0 508.430 6.824 1 10 KKCFRN COc1ccccc1/C=C1/SC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)=NC1=O ZINC000103183843 562815301 /nfs/dbraw/zinc/81/53/01/562815301.db2.gz IKHLWZYHBBYMAE-SGCYSOCQSA-N 0 0 508.430 6.824 1 10 KKCFRN COc1ccccc1/C=C1/SC(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)=NC1=O ZINC000103186471 562815431 /nfs/dbraw/zinc/81/54/31/562815431.db2.gz XNKLWDTXCSAMHV-SGCYSOCQSA-N 0 0 552.881 6.933 1 10 KKCFRN COc1ccc(/C=C2/SC(N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000103187749 562815508 /nfs/dbraw/zinc/81/55/08/562815508.db2.gz SUKXUXPHSKGOOJ-NHMXVPMISA-N 0 0 552.881 6.933 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000103189297 562815617 /nfs/dbraw/zinc/81/56/17/562815617.db2.gz PAYUDAWWSHRJMH-XMHVBLFMSA-N 0 0 523.401 6.723 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(Cl)cc1 ZINC000103236076 562818786 /nfs/dbraw/zinc/81/87/86/562818786.db2.gz XREINAJFMKFZGM-SANMLTNESA-N 0 0 543.896 5.221 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Br ZINC000103236062 562818798 /nfs/dbraw/zinc/81/87/98/562818798.db2.gz BZQYJYBVVMPXAL-AREMUKBSSA-N 0 0 588.347 5.330 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(Br)cc1 ZINC000103236052 562818831 /nfs/dbraw/zinc/81/88/31/562818831.db2.gz ODPNGIXKTWKIRQ-SANMLTNESA-N 0 0 588.347 5.330 1 10 KKCFRN O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)N1CCN(c2ccccc2F)CC1 ZINC000103282054 562823637 /nfs/dbraw/zinc/82/36/37/562823637.db2.gz GNOGXFZMCKRMND-HAHDFKILSA-N 0 0 542.057 5.289 1 10 KKCFRN CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N[C@@](C)(c2ccc(N(C)C)cc2)C1=O ZINC000114059573 562827504 /nfs/dbraw/zinc/82/75/04/562827504.db2.gz RFWGIZMRALGUEU-VWLOTQADSA-N 0 0 589.577 5.644 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582292 562845527 /nfs/dbraw/zinc/84/55/27/562845527.db2.gz XHBXQCPNROVKPY-DWEWYUIOSA-N 0 0 675.576 7.374 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(Nn3c(Cc4ccccc4Nc4ccccc4)nc4ccc(I)cc4c3=O)=NN2)cc1 ZINC000150590718 562846157 /nfs/dbraw/zinc/84/61/57/562846157.db2.gz GUHKRWOOCRQGHB-LJAQVGFWSA-N 0 0 655.544 5.993 1 10 KKCFRN O=[N+]([O-])c1ccc2c(c1)N(Cc1cc(Br)ccc1O)[C@@H](c1cc(Br)ccc1O)N2Cc1cc(Br)ccc1O ZINC000150600733 562847205 /nfs/dbraw/zinc/84/72/05/562847205.db2.gz DRJFKAQEUALKDH-MHZLTWQESA-N 0 0 706.185 7.725 1 10 KKCFRN COc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl ZINC000150604238 562847620 /nfs/dbraw/zinc/84/76/20/562847620.db2.gz JMZWCHGAXHNNJR-DARPEHSRSA-N 0 0 734.181 6.679 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3F)C2=O)cc1F ZINC000150605225 562847756 /nfs/dbraw/zinc/84/77/56/562847756.db2.gz VNUJEGAGDMPEJX-FCDQGJHFSA-N 0 0 661.637 5.897 1 10 KKCFRN CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169325652 562857649 /nfs/dbraw/zinc/85/76/49/562857649.db2.gz ZHKYFXNJJRCRFO-UHFFFAOYSA-N 0 0 558.004 5.705 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169327001 562857976 /nfs/dbraw/zinc/85/79/76/562857976.db2.gz JXGZWPVQZNZTBC-HJWYETAXSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327024 562857997 /nfs/dbraw/zinc/85/79/97/562857997.db2.gz LSQRPXQGVJTODR-SFNQZPIRSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327062 562858058 /nfs/dbraw/zinc/85/80/58/562858058.db2.gz RRNXXCRBTDWRQA-GTJUCTONSA-N 0 0 587.565 6.169 1 10 KKCFRN O=C1/C(=C/c2ccc(OCCCOc3ccc(/C=C4\SC(=S)N(Cc5ccncc5)C4=O)cc3)cc2)SC(=S)N1Cc1ccncc1 ZINC000169327346 562858096 /nfs/dbraw/zinc/85/80/96/562858096.db2.gz BQGKKWCBGMTYFP-LONJPSTNSA-N 0 0 696.901 7.127 1 10 KKCFRN CC(C)(C)c1cc(C=C2C(=O)NC(=S)NC2=O)c(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000169330194 562858668 /nfs/dbraw/zinc/85/86/68/562858668.db2.gz ISQOWBPWRFPPSW-UHFFFAOYSA-N 0 0 508.441 5.119 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331338 562858944 /nfs/dbraw/zinc/85/89/44/562858944.db2.gz ULKSZVFXGSMZGC-DEXQXJORSA-N 0 0 616.401 5.779 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331344 562858973 /nfs/dbraw/zinc/85/89/73/562858973.db2.gz NZLYSILZGOBHTK-OLRZCDJHSA-N 0 0 616.401 5.779 1 10 KKCFRN COc1ccc(N2CCN(CCOC(=O)c3ccccc3Nc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000169333336 562859284 /nfs/dbraw/zinc/85/92/84/562859284.db2.gz XBOZBOXPTZBTTR-UHFFFAOYSA-N 0 0 517.029 5.619 1 10 KKCFRN CN1C[C@@H](c2cncc(-c3ccc(F)cc3)c2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169402811 562864930 /nfs/dbraw/zinc/86/49/30/562864930.db2.gz JZBZWDGLSQNFON-JTSJOTPCSA-N 0 0 502.545 5.160 1 10 KKCFRN O=S(=O)(N[C@@H]1CCCC(=C2c3ccccc3CCc3ccccc32)C1)c1ccc(OC(F)(F)F)cc1 ZINC000205417156 562875279 /nfs/dbraw/zinc/87/52/79/562875279.db2.gz CQUCCNFEZGLHBA-JOCHJYFZSA-N 0 0 513.581 6.407 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccc3ccccc3n2)S1 ZINC000206901216 562876579 /nfs/dbraw/zinc/87/65/79/562876579.db2.gz BWDRCSOAZQAUBA-ADTIMHKYSA-N 0 0 606.111 6.648 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccc(Br)s2)S1 ZINC000206889062 562876582 /nfs/dbraw/zinc/87/65/82/562876582.db2.gz WPCGEGVJIJAEQY-UKKLRFBMSA-N 0 0 639.988 6.924 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccccc2[N+](=O)[O-])S1 ZINC000206925119 562876603 /nfs/dbraw/zinc/87/66/03/562876603.db2.gz LRLTXIZEODVXCM-ZHIQAQTNSA-N 0 0 600.060 6.008 1 10 KKCFRN O=C1N=C(N2CCN([C@H](c3nnnn3C3CCCCC3)c3ccc(Cl)cc3)CC2)S/C1=C\c1ccccc1 ZINC000299827445 562884140 /nfs/dbraw/zinc/88/41/40/562884140.db2.gz FQPPWXDLEXJGCP-ZNDLMVGJSA-N 0 0 548.116 5.209 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000299829512 562884885 /nfs/dbraw/zinc/88/48/85/562884885.db2.gz KAYZBLYYJSDWEM-TWBKXSQYSA-N 0 0 520.079 6.714 1 10 KKCFRN O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000299831101 562885470 /nfs/dbraw/zinc/88/54/70/562885470.db2.gz NNHPSRGJDASOHB-BPTDDQHESA-N 0 0 530.074 7.139 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(Cc4ccco4)C3=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000299832592 562885871 /nfs/dbraw/zinc/88/58/71/562885871.db2.gz PZVINVLLICMCFA-KDYMBEQYSA-N 0 0 505.621 5.350 1 10 KKCFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2/C=C2\SC(=S)N(c3cccc(OC(C)=O)c3)C2=O)cc1 ZINC000299832695 562885920 /nfs/dbraw/zinc/88/59/20/562885920.db2.gz QRKFPYWVCRRXAH-ODMMIZOMSA-N 0 0 579.703 6.831 1 10 KKCFRN CC(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299835517 562886886 /nfs/dbraw/zinc/88/68/86/562886886.db2.gz WGOABUBDZKGEFS-QJRULXJOSA-N 0 0 555.752 5.679 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083431 562896810 /nfs/dbraw/zinc/89/68/10/562896810.db2.gz BPAPBXYCSPRWEC-RWJNZEQESA-N 0 0 602.705 6.391 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083430 562896818 /nfs/dbraw/zinc/89/68/18/562896818.db2.gz BPAPBXYCSPRWEC-GKZBKZLQSA-N 0 0 602.705 6.391 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)N=C2c2ccccc2)c1 ZINC000473111510 562898604 /nfs/dbraw/zinc/89/86/04/562898604.db2.gz BJNJWWZVYQINAM-VEILYXNESA-N 0 0 538.003 6.201 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)N=C2c2ccccc2)c1 ZINC000473115309 562899014 /nfs/dbraw/zinc/89/90/14/562899014.db2.gz RNCDXUWRSOYPPS-USHMODERSA-N 0 0 503.558 5.547 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)N=C2c2ccccc2)cc1 ZINC000473115919 562899115 /nfs/dbraw/zinc/89/91/15/562899115.db2.gz VSVKHFWIYYHCFM-BRPDVVIDSA-N 0 0 517.585 5.856 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134051 562900456 /nfs/dbraw/zinc/90/04/56/562900456.db2.gz BKADAQPMXGOROO-YKZWBYJTSA-N 0 0 595.721 6.988 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134424 562900538 /nfs/dbraw/zinc/90/05/38/562900538.db2.gz CDLRVIRJWNRYQZ-ZPFXUNSTSA-N 0 0 570.114 7.624 1 10 KKCFRN Cc1c2cc(C)ccc2n2c1CC[C@](NC(=O)c1c(Cl)cc(-n3cnnc3)cc1Cl)(c1ccccc1)C2 ZINC000473153630 562901996 /nfs/dbraw/zinc/90/19/96/562901996.db2.gz BTZKPDWDHQLORI-GDLZYMKVSA-N 0 0 530.459 6.417 1 10 KKCFRN COc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000653738106 562909893 /nfs/dbraw/zinc/90/98/93/562909893.db2.gz MBUUSYFSPZTOGX-UHFFFAOYSA-N 0 0 539.651 6.372 1 10 KKCFRN CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO[P@](=O)(NCCCCN=[N+]=[N-])Oc1ccc(Cl)cc1 ZINC000653739235 562910068 /nfs/dbraw/zinc/91/00/68/562910068.db2.gz HNSJEPIQYOBLNQ-ZMCHOGLXSA-N 0 0 632.970 5.233 1 10 KKCFRN CS(=O)(=O)c1ccc(-c2nc(SCCCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2-c2ccc(Br)cc2)cc1 ZINC000653799582 562913300 /nfs/dbraw/zinc/91/33/00/562913300.db2.gz JQXRDICUKMKSEW-LNKIKWGQSA-N 0 0 630.542 5.250 1 10 KKCFRN CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653813419 562913989 /nfs/dbraw/zinc/91/39/89/562913989.db2.gz UASDLASFPGUWQT-IUDBTDONSA-N 0 0 624.569 5.745 1 10 KKCFRN O=C(NCc1ccc(N2CCN(c3ccccc3F)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn21 ZINC000653823141 562914236 /nfs/dbraw/zinc/91/42/36/562914236.db2.gz HPBFGFPPYIIDDP-UHFFFAOYSA-N 0 0 611.746 7.765 1 10 KKCFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)Oc2ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc2N3C)c[nH]1)C(C)C ZINC000653823185 562914250 /nfs/dbraw/zinc/91/42/50/562914250.db2.gz WWFRFSCWPDIAMN-JXWYWRPRSA-N 0 0 781.915 6.429 1 10 KKCFRN O[C@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653842794 562914968 /nfs/dbraw/zinc/91/49/68/562914968.db2.gz VTRQUPBXWMJJNH-KRWDZBQOSA-N 0 0 537.428 6.960 1 10 KKCFRN O=C1/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000653856970 562915757 /nfs/dbraw/zinc/91/57/57/562915757.db2.gz BQDNUVTWOFGUPK-FYYJVHHASA-N 0 0 525.577 6.468 1 10 KKCFRN O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)SC(=S)N1c1cccnc1 ZINC000653878731 562916730 /nfs/dbraw/zinc/91/67/30/562916730.db2.gz ACKWTOOJMBPVEK-PGOXGVTESA-N 0 0 508.628 5.998 1 10 KKCFRN COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5C=CC[C@@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596335 565155476 /nfs/dbraw/zinc/15/54/76/565155476.db2.gz NAJFGTRCGBNMTN-SYQWONQESA-N 0 0 642.813 7.024 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625470 565159193 /nfs/dbraw/zinc/15/91/93/565159193.db2.gz DCJBSLMLMSIFQQ-KAODMTDESA-N 0 0 654.800 7.815 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](C(=O)C[C@H](CCc1ccccc1)c1ccc(O)c(OC)c1)[C@H](O)CC1(c2ccc(O)c(O)c2)CCCCC1 ZINC000085626245 291931407 /nfs/dbraw/zinc/93/14/07/291931407.db2.gz XINDPOXBBRHEMP-UIGMACDESA-N 0 0 602.812 8.337 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)C2(c3ccnc(N)c3)CCCC2)ccc1O ZINC000085625776 291968994 /nfs/dbraw/zinc/96/89/94/291968994.db2.gz NDNAHBYGMJSCSY-XQJOSWFISA-N 0 0 620.787 6.228 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)C2(c3ccnc(N)c3)CCCC2)ccc1O ZINC000085625833 291968999 /nfs/dbraw/zinc/96/89/99/291968999.db2.gz PKCBBIYYYNYVEL-XQJOSWFISA-N 0 0 618.771 6.124 1 10 biogenic,in-vitro KKCFRN O=C(Cc1ccccc1)Oc1ccc(-c2c(O)c(O)c(-c3ccc(OC(=O)Cc4ccccc4)cc3)c(O)c2O)cc1 ZINC000085921704 291992303 /nfs/dbraw/zinc/99/23/03/291992303.db2.gz CJQAGKRKLMMDBF-UHFFFAOYSA-N 0 0 562.574 6.139 1 10 biogenic,in-vitro KKCFRN Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934353 561681129 /nfs/dbraw/zinc/68/11/29/561681129.db2.gz UDFHQOOPLNZWLW-AUSIDOKSSA-N 0 0 530.216 5.620 1 10 KKCFRN Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 ZINC000002936813 561681323 /nfs/dbraw/zinc/68/13/23/561681323.db2.gz HFNGYYIRICQICP-JPYJTQIMSA-N 0 0 503.755 5.650 1 10 KKCFRN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579515 561696927 /nfs/dbraw/zinc/69/69/27/561696927.db2.gz USPHNCUDUYAUCJ-BZQUYTCOSA-N 0 0 588.132 6.146 1 10 KKCFRN O=C1c2cccnc2C(=O)c2c1nc1ccccc1c2-c1cncc(-c2c3ccccc3nc3c2C(=O)c2ncccc2C3=O)c1 ZINC000005582148 561697192 /nfs/dbraw/zinc/69/71/92/561697192.db2.gz QMMMMNFGQWFLGW-UHFFFAOYSA-N 0 0 595.574 5.853 1 10 KKCFRN O=C(Nc1ccc(N2C(=O)CS[C@H]2c2ccccc2O)cc1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2O)cc1 ZINC000006005030 561701294 /nfs/dbraw/zinc/70/12/94/561701294.db2.gz GNLUEPSZHATBLB-CONSDPRKSA-N 0 0 583.691 5.907 1 10 KKCFRN Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3Cl)c2-c2ccccc2)cc1 ZINC000005810898 561698503 /nfs/dbraw/zinc/69/85/03/561698503.db2.gz ZDRKDISPYAFEAA-XAHDOWKMSA-N 0 0 534.019 8.263 1 10 KKCFRN Cc1cc2nc(N3C(=O)/C(=C/c4ccc(Oc5ccccc5)cc4)N=C3c3ccccc3)sc2cc1C ZINC000006019474 561702049 /nfs/dbraw/zinc/70/20/49/561702049.db2.gz SBKISOUVLXLPQI-DIBXZPPDSA-N 0 0 501.611 7.540 1 10 KKCFRN COC(=O)c1sccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000013487534 561715268 /nfs/dbraw/zinc/71/52/68/561715268.db2.gz YOLLAYRIPHPDMG-UHFFFAOYSA-N 0 0 514.584 5.543 1 10 KKCFRN O=C(CCc1ccccc1)Oc1cccc2c1C(=O)c1cccc(OC(=O)CCc3ccccc3)c1C2=O ZINC000013558885 561719349 /nfs/dbraw/zinc/71/93/49/561719349.db2.gz BQGVJVRJILNULA-UHFFFAOYSA-N 0 0 504.538 5.538 1 10 KKCFRN NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000017577080 561756422 /nfs/dbraw/zinc/75/64/22/561756422.db2.gz WIKZWJMTRABDFT-VWLOTQADSA-N 0 0 579.495 5.092 3 10 KKCFRN CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026280366 561778990 /nfs/dbraw/zinc/77/89/90/561778990.db2.gz ANDFTXFGKWBAGA-UHFFFAOYSA-N 0 0 581.625 5.416 1 10 KKCFRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1c3c(ccc4c(-c5ccccc5)cc(=O)oc43)OC(C)(C)[C@@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000026642560 561807002 /nfs/dbraw/zinc/80/70/02/561807002.db2.gz FLFXWQYPOIPGTL-KXVFYNJYSA-N 0 0 698.765 6.371 1 10 KKCFRN COc1cccc2c1nc1cc(I)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026848068 561826923 /nfs/dbraw/zinc/82/69/23/561826923.db2.gz DSFXBBVQVUTFJL-UHFFFAOYSA-N 0 0 519.364 5.116 1 10 KKCFRN O=C([O-])CCCCCCc1ccc(C(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000026850354 561827180 /nfs/dbraw/zinc/82/71/80/561827180.db2.gz OSJYYMJDMRDSMF-UHFFFAOYSA-N 0 0 517.629 7.962 1 10 KKCFRN CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(OCCCC)cccc32)c(OC)c1 ZINC000026938683 561827941 /nfs/dbraw/zinc/82/79/41/561827941.db2.gz BQEQHPINYSYRKS-UHFFFAOYSA-N 0 0 521.683 7.251 1 10 KKCFRN CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(N(CC[C@@H](C)O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000027430285 561859216 /nfs/dbraw/zinc/85/92/16/561859216.db2.gz MTUGVNCYQNDKSG-YDYNHKSESA-N 0 0 592.825 5.834 1 10 KKCFRN [O-]c1c(F)cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c(F)c1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000027863562 561887421 /nfs/dbraw/zinc/88/74/21/561887421.db2.gz KSHHVVSGFPMUMG-UHFFFAOYSA-N 0 0 577.499 5.944 1 10 KKCFRN Cc1nn(C(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027997710 561893994 /nfs/dbraw/zinc/89/39/94/561893994.db2.gz MMDGLLUIEYNIPM-NQVJXQQZSA-N 0 0 705.647 5.496 1 10 KKCFRN Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000028001243 561894702 /nfs/dbraw/zinc/89/47/02/561894702.db2.gz OWXYHUWHKHEXFZ-KUFVUHJUSA-N 0 0 719.674 5.571 1 10 KKCFRN CCOc1ccc(S(=O)(=O)N(CC(=O)N=NC2C(=O)Nc3ccc(I)cc32)c2ccccc2)cc1 ZINC000028562813 561935209 /nfs/dbraw/zinc/93/52/09/561935209.db2.gz YWQLZELWTCRLQP-BYYHNAKLSA-N 0 0 604.426 5.383 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)COc2cccc(N)c2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704579 561948779 /nfs/dbraw/zinc/94/87/79/561948779.db2.gz XXJDYPCYPZFJJK-UMSFTDKQSA-N 0 0 680.805 7.303 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000028822636 561967440 /nfs/dbraw/zinc/96/74/40/561967440.db2.gz BNGNHHMIQWVNLY-UHFFFAOYSA-N 0 0 508.021 7.010 1 10 KKCFRN O=C([O-])[C@@H]1CCC[NH+]1Cc1cc2ccccc2c(-c2c(O)c(C[N@@H+]3CCC[C@H]3C(=O)[O-])cc3ccccc32)c1O ZINC000028861952 561971780 /nfs/dbraw/zinc/97/17/80/561971780.db2.gz VBMIEMKNAAGUPX-UIOOFZCWSA-N 0 0 540.616 5.169 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccc(F)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338911 562057454 /nfs/dbraw/zinc/05/74/54/562057454.db2.gz ALAMKIQLXIWFRA-UHFFFAOYSA-N 0 0 522.584 5.730 1 10 KKCFRN O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccccc1Cl ZINC000040393890 562074114 /nfs/dbraw/zinc/07/41/14/562074114.db2.gz NTNCKIDJVHTBTH-JAIQZWGSSA-N 0 0 503.432 5.771 1 10 KKCFRN Cc1cc(OCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040913829 562083633 /nfs/dbraw/zinc/08/36/33/562083633.db2.gz BQWPDTKCNRXHRG-QHCPKHFHSA-N 0 0 501.797 6.494 1 10 KKCFRN Nc1nc2cccc(-c3ccc4c(c3)Nc3ccc(CCOc5ccc(N6CCOCC6)cc5)cc3NC4=O)c2o1 ZINC000043058995 562645085 /nfs/dbraw/zinc/64/50/85/562645085.db2.gz PGODFXRWPCRNNV-UHFFFAOYSA-N 0 0 547.615 5.844 1 10 KKCFRN O=C(Cc1ccccc1)Oc1c2c3cc(O)c(O)cc3oc2c(O)c(-c2ccc(O)cc2)c1OC(=O)Cc1ccccc1 ZINC000043152927 562646451 /nfs/dbraw/zinc/64/64/51/562646451.db2.gz FMUSGJFTMXBKQN-UHFFFAOYSA-N 0 0 576.557 6.372 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000044352247 562655042 /nfs/dbraw/zinc/65/50/42/562655042.db2.gz LNBVBHQKBZKCSF-CWTKIQHKSA-N 0 0 580.681 6.953 1 10 KKCFRN CC1=CC(C)(C)N(Cc2cccc(C(F)(F)F)c2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc21 ZINC000045245663 562659770 /nfs/dbraw/zinc/65/97/70/562659770.db2.gz SRAKHYOIJCQESR-UHFFFAOYSA-N 0 0 505.502 8.505 1 10 KKCFRN O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc(Br)cc(Br)c1O ZINC000045389694 562662509 /nfs/dbraw/zinc/66/25/09/562662509.db2.gz XCGWRJUUHHWCDA-UHFFFAOYSA-N 0 0 508.185 6.291 1 10 KKCFRN Cn1cc2c(n1)CCc1c3c(c4cc([C@@H]5CCCCO5)ccc4n3CC3CCCCC3)c3c(c1-2)C(=O)NC3 ZINC000049036593 562663620 /nfs/dbraw/zinc/66/36/20/562663620.db2.gz YOSNZLGNAZKSBX-MHZLTWQESA-N 0 0 508.666 6.359 1 10 KKCFRN C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)[C@]1(C)C5=CCC(C#N)(C#N)C1(C#N)C#N)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000049605894 562666427 /nfs/dbraw/zinc/66/64/27/562666427.db2.gz XHQCQLQGORHDHW-FAIXQHPJSA-N 0 0 718.818 7.184 1 10 KKCFRN Cc1c(C)c(NS(=O)(=O)c2cccc(Br)c2)c(C)c(C)c1NS(=O)(=O)c1cccc(Br)c1 ZINC000049872207 562689829 /nfs/dbraw/zinc/68/98/29/562689829.db2.gz PBBXEKCISYHXBY-UHFFFAOYSA-N 0 0 602.370 6.047 1 10 KKCFRN COC(=O)c1cc(Nc2cc(C(C)(C)C)ccc2C)nc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)n1 ZINC000053175196 562696355 /nfs/dbraw/zinc/69/63/55/562696355.db2.gz SDNJLWMNEJNXRB-UHFFFAOYSA-N 0 0 517.674 5.727 1 10 KKCFRN COc1ccc(N2CCN(c3nc4ncccc4c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053239610 562696734 /nfs/dbraw/zinc/69/67/34/562696734.db2.gz MCKASVNQUKKIQL-UHFFFAOYSA-N 0 0 510.686 6.488 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064512720 562706264 /nfs/dbraw/zinc/70/62/64/562706264.db2.gz OZPPXLLGZFFHHK-JAIQZWGSSA-N 0 0 549.318 6.524 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064514096 562706522 /nfs/dbraw/zinc/70/65/22/562706522.db2.gz RXMIDYSXVHDUAL-JAIQZWGSSA-N 0 0 504.867 6.415 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064526602 562706628 /nfs/dbraw/zinc/70/66/28/562706628.db2.gz SBTNEORCINBHSE-ZBKNUEDVSA-N 0 0 539.312 7.069 1 10 KKCFRN O=C1C(=Cc2ccc(-c3ccc(F)c(-c4nn[nH]n4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066102657 562711452 /nfs/dbraw/zinc/71/14/52/562711452.db2.gz FYWPAKALOKGXDY-ZDLGFXPLSA-N 0 0 517.489 5.690 1 10 KKCFRN Cc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000071315783 562717773 /nfs/dbraw/zinc/71/77/73/562717773.db2.gz PHELMHAFAONKKT-UHFFFAOYSA-N 0 0 517.629 5.754 1 10 KKCFRN Cc1ccc(S(=O)(=O)n2cc(/C=C3/c4ccccc4N(S(=O)(=O)c4ccc(C)cc4)C3=O)c3ccccc32)cc1 ZINC000072106022 562720856 /nfs/dbraw/zinc/72/08/56/562720856.db2.gz GBTGQYQQHTYHHD-USHMODERSA-N 0 0 568.676 5.771 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1C1CCCCC1 ZINC000072123217 562724711 /nfs/dbraw/zinc/72/47/11/562724711.db2.gz KGEFPZBPQSZMSA-PZSMLTKBSA-N 0 0 731.685 6.112 1 10 KKCFRN C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc32)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129831 562726471 /nfs/dbraw/zinc/72/64/71/562726471.db2.gz JQNJHYUNCXNUET-PTLFGHRPSA-N 0 0 725.681 5.407 1 10 in-vitro KKCFRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](c3ccccc3O)C2)cc1 ZINC000073331697 562738166 /nfs/dbraw/zinc/73/81/66/562738166.db2.gz BZOPBYDIPQRQIE-VWLOTQADSA-N 0 0 618.584 5.582 1 10 KKCFRN COc1ccc(/C=C(/c2ccccc2)c2c(C)cc(C)c(/C(=C\c3ccc(OC)cc3)c3ccccc3)c2/N=N/c2cc(C)cc(C)c2)cc1 ZINC000082178777 562741793 /nfs/dbraw/zinc/74/17/93/562741793.db2.gz HXECOXYHKBCOEE-AWVYZLTMSA-N 0 0 654.854 12.531 1 10 KKCFRN Cc1c(C2=NN(C(=S)NC(=O)c3ccccc3)[C@@H](c3ccc(N4CCCCC4)cc3)C2)nnn1-c1ccc(C)cc1 ZINC000084602956 562744078 /nfs/dbraw/zinc/74/40/78/562744078.db2.gz GNEVXRFDKGHLSF-GDLZYMKVSA-N 0 0 563.731 5.740 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000084687697 562748971 /nfs/dbraw/zinc/74/89/71/562748971.db2.gz JWRXVYLYFITGDM-UHFFFAOYSA-N 0 0 660.814 9.340 1 10 KKCFRN O=C1c2cc(-c3ccccc3)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCNS(=O)(=O)c1ccccc1 ZINC000084690112 562749487 /nfs/dbraw/zinc/74/94/87/562749487.db2.gz DFAJTGOEQLSHPD-UHFFFAOYSA-N 0 0 565.607 5.157 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084705163 562749907 /nfs/dbraw/zinc/74/99/07/562749907.db2.gz NNBDNRFPPAAHHJ-UHFFFAOYSA-N 0 0 635.624 7.465 1 10 KKCFRN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCCNc1c3ccccc3nc3cccc([N+](=O)[O-])c31)C(=O)OC2 ZINC000084727897 562751425 /nfs/dbraw/zinc/75/14/25/562751425.db2.gz WXBUYSYYLNGIGP-XDHOZWIPSA-N 0 0 598.656 5.877 1 10 KKCFRN O=S(=O)(Nc1cc(Sc2nn[nH]n2)c(O)c2ccccc12)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000084758024 562752512 /nfs/dbraw/zinc/75/25/12/562752512.db2.gz IASITONWFCUFKK-UHFFFAOYSA-N 0 0 543.552 5.696 1 10 KKCFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)C(=C3c4ccccc4NC3=O)S2)cc1 ZINC000095555852 562761687 /nfs/dbraw/zinc/76/16/87/562761687.db2.gz VIQXUGBGNJKSIV-GWVAFBSZSA-N 0 0 530.609 6.642 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3cccc4ccccc43)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095558648 562762513 /nfs/dbraw/zinc/76/25/13/562762513.db2.gz GBFAUYVOYPPBEM-UHFFFAOYSA-N 0 0 554.093 9.021 1 10 KKCFRN COc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)c(O)c1 ZINC000095570778 562768509 /nfs/dbraw/zinc/76/85/09/562768509.db2.gz KOYUSQKPNMWLLG-QFIPXVFZSA-N 0 0 564.988 6.087 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3cc(Cl)sc3SCc3ccccc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000095594590 562776511 /nfs/dbraw/zinc/77/65/11/562776511.db2.gz ROUHUVHINHWNOK-NDEPHWFRSA-N 0 0 621.684 9.892 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3cc(Cl)sc3SCc3ccccc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000095594591 562776530 /nfs/dbraw/zinc/77/65/30/562776530.db2.gz ROUHUVHINHWNOK-MUUNZHRXSA-N 0 0 621.684 9.892 1 10 KKCFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(Cl)c(Cl)c1 ZINC000096915653 562801027 /nfs/dbraw/zinc/80/10/27/562801027.db2.gz MBELAKXCNCRMKS-VWLOTQADSA-N 0 0 552.897 7.882 1 10 KKCFRN COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(NN=C4C=CC(=O)C=C4)nc(NN=C4C=CC(=O)C=C4)c3n2)cc1)C(=O)OC ZINC000096934618 562803872 /nfs/dbraw/zinc/80/38/72/562803872.db2.gz JZDSQDWEBMCUHM-KEJZLROCSA-N 0 0 692.693 5.523 1 10 KKCFRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000098083926 562805555 /nfs/dbraw/zinc/80/55/55/562805555.db2.gz KOJSVHMBEKXPTC-WJOKGBTCSA-N 0 0 527.628 5.752 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3cccc(Cl)c3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101012181 562808651 /nfs/dbraw/zinc/80/86/51/562808651.db2.gz DAGIHENIDGQFAF-SOCFHSTRSA-N 0 0 557.850 7.491 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1 ZINC000103187698 562815502 /nfs/dbraw/zinc/81/55/02/562815502.db2.gz JWSPEKHHXWFJFQ-IGPUNGKJSA-N 0 0 557.300 7.578 1 10 KKCFRN CCCCc1nc2ccn(Cc3ccc(N)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000103197395 562815883 /nfs/dbraw/zinc/81/58/83/562815883.db2.gz POFCFEBEAJTSNP-UHFFFAOYSA-N 0 0 530.636 5.067 1 10 KKCFRN O=C(c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1)[n+]1[n-]c(=S)sc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103204135 562816296 /nfs/dbraw/zinc/81/62/96/562816296.db2.gz DNGPWFJFKAAQCR-UHFFFAOYSA-O 0 0 599.073 6.003 1 10 KKCFRN O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1)[n+]1[n-]c(=S)sc1-c1cc([N+](=O)[O-])ccc1Cl ZINC000103204201 562816313 /nfs/dbraw/zinc/81/63/13/562816313.db2.gz IZTNIFRFHKEFOA-UHFFFAOYSA-O 0 0 598.089 6.990 1 10 KKCFRN O=C(N[C@H](c1ccccc1)c1cc2ccccc2cc1O)N[C@@H](c1ccccc1)c1cc2ccccc2cc1O ZINC000103216638 562817180 /nfs/dbraw/zinc/81/71/80/562817180.db2.gz FQYFZCXHRMDVGT-AQOUDTPCSA-N 0 0 524.620 7.582 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000103220038 562817395 /nfs/dbraw/zinc/81/73/95/562817395.db2.gz OYBNYLTUKRPSPQ-ULIFNZDWSA-N 0 0 553.877 8.489 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccccc2Cl)cc1 ZINC000103221498 562817482 /nfs/dbraw/zinc/81/74/82/562817482.db2.gz XEXCWWSNBDLVFR-QNEJGDQOSA-N 0 0 519.432 7.836 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Cl ZINC000103236088 562818816 /nfs/dbraw/zinc/81/88/16/562818816.db2.gz QUPLOXUNVLUZKY-SANMLTNESA-N 0 0 543.896 5.221 1 10 KKCFRN Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118092307 562830123 /nfs/dbraw/zinc/83/01/23/562830123.db2.gz OECKEBGMVPCBOX-UHFFFAOYSA-N 0 0 510.613 5.781 1 10 KKCFRN O=C(OCCOCCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000150522577 562843515 /nfs/dbraw/zinc/84/35/15/562843515.db2.gz FQWGJMPNGZGJNH-WKAHBFOZSA-N 0 0 966.817 8.640 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)cc(I)c3[O-])NC1=O)O2 ZINC000150582732 562845586 /nfs/dbraw/zinc/84/55/86/562845586.db2.gz SCOYRPVAVNZADG-JOCIVYRRSA-N 0 0 801.472 7.979 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592844 562846349 /nfs/dbraw/zinc/84/63/49/562846349.db2.gz IRWPDUIIPLGLGQ-SHROSPEESA-N 0 0 684.891 8.374 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1F ZINC000150604230 562847547 /nfs/dbraw/zinc/84/75/47/562847547.db2.gz IUZJHWYFTLDGMA-YYADALCUSA-N 0 0 657.674 6.148 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F ZINC000150604235 562847640 /nfs/dbraw/zinc/84/76/40/562847640.db2.gz QBYLCYWOLDLWGF-DARPEHSRSA-N 0 0 707.681 7.027 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1F ZINC000150604967 562847694 /nfs/dbraw/zinc/84/76/94/562847694.db2.gz LRTHSPZKWWSRPY-SZXQPVLSSA-N 0 0 671.701 6.394 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327038 562857995 /nfs/dbraw/zinc/85/79/95/562857995.db2.gz XKVIREVAZLSBIJ-JYRCXFKTSA-N 0 0 537.505 5.016 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327055 562858060 /nfs/dbraw/zinc/85/80/60/562858060.db2.gz RRNXXCRBTDWRQA-WHUARKNTSA-N 0 0 587.565 6.169 1 10 KKCFRN CCN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(CC)C1=S ZINC000169330176 562858662 /nfs/dbraw/zinc/85/86/62/562858662.db2.gz HLATYPOXZKVFES-UHFFFAOYSA-N 0 0 584.539 6.953 1 10 KKCFRN CCN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(CC)C1=O ZINC000169330173 562858663 /nfs/dbraw/zinc/85/86/63/562858663.db2.gz VQVAYGCYFRYIGX-UHFFFAOYSA-N 0 0 568.471 6.788 1 10 KKCFRN O=C(/C=C/c1cc2c(c(O)c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H]2C(=O)OCCc1ccccc1)OCCc1ccccc1 ZINC000197925332 562872623 /nfs/dbraw/zinc/87/26/23/562872623.db2.gz MKUCYYXMPADMOH-RBUPXXSZSA-N 0 0 566.606 5.606 1 10 KKCFRN O=S(=O)(N[C@H]1CCCC(=C2c3ccccc3CCc3ccccc32)C1)c1ccc(OC(F)(F)F)cc1 ZINC000205417141 562875287 /nfs/dbraw/zinc/87/52/87/562875287.db2.gz CQUCCNFEZGLHBA-QFIPXVFZSA-N 0 0 513.581 6.407 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000299825538 562883612 /nfs/dbraw/zinc/88/36/12/562883612.db2.gz LIKQLUNHIMOYGM-MUBPVYAGSA-N 0 0 598.309 6.900 1 10 KKCFRN O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000299831103 562885444 /nfs/dbraw/zinc/88/54/44/562885444.db2.gz NNHPSRGJDASOHB-NMTARAHESA-N 0 0 530.074 7.139 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(Cc4ccco4)C3=O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000299832595 562885872 /nfs/dbraw/zinc/88/58/72/562885872.db2.gz PZVINVLLICMCFA-VNLJKWRZSA-N 0 0 505.621 5.350 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)SC2=S)c1 ZINC000299832610 562885884 /nfs/dbraw/zinc/88/58/84/562885884.db2.gz QBMVGAGRJVYLBD-TXUMJUCDSA-N 0 0 515.616 5.375 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)SC2=S)c1 ZINC000299834034 562886387 /nfs/dbraw/zinc/88/63/87/562886387.db2.gz SVCIMUDVEYOYNJ-TWBKXSQYSA-N 0 0 534.062 6.323 1 10 KKCFRN Cc1ccc(S(=O)(=O)N=NC=C2CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N3C2C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000377853482 562896548 /nfs/dbraw/zinc/89/65/48/562896548.db2.gz STIULHPFDYBJHO-BZLJJLQJSA-N 0 0 686.837 6.257 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)c1 ZINC000473112789 562898714 /nfs/dbraw/zinc/89/87/14/562898714.db2.gz GHIJXLVCDAEAPH-USHMODERSA-N 0 0 533.584 5.556 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)N=C2c2ccccc2)cc1 ZINC000473115882 562899095 /nfs/dbraw/zinc/89/90/95/562899095.db2.gz VCSYGZJLTSXJIR-USHMODERSA-N 0 0 538.003 6.201 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000473120543 562899343 /nfs/dbraw/zinc/89/93/43/562899343.db2.gz OFLSOUOGMBYUTH-LSVUDHJXSA-N 0 0 543.996 8.020 1 10 KKCFRN Cc1ccc2c(c1)c(C1CC1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473155056 562902324 /nfs/dbraw/zinc/90/23/24/562902324.db2.gz OPVBHSIFLWHKGK-WJOKGBTCSA-N 0 0 556.497 6.986 1 10 KKCFRN C[NH+]1CCN(CCCOc2ccc(N3C(=O)/C(=C/c4ccc(Oc5ccc(C(=O)[O-])cc5)cc4)SC3=S)cc2)CC1 ZINC000653697071 562907040 /nfs/dbraw/zinc/90/70/40/562907040.db2.gz CYWFMZJGYMZOFH-HFTWOUSFSA-N 0 0 589.739 5.599 1 10 KKCFRN CC(C)(C)Oc1ccc(OC2CCN(c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)cc1 ZINC000653808129 562913766 /nfs/dbraw/zinc/91/37/66/562913766.db2.gz RJKUHOXCJFZHDO-MUUNZHRXSA-N 0 0 522.602 5.247 1 10 KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5C=CC[C@@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596351 565155381 /nfs/dbraw/zinc/15/53/81/565155381.db2.gz ZFFKLONOFKRBHX-AAHNVJONSA-N 0 0 612.787 7.532 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)[C@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)[C@H](O)CCc2ccc(O)c3c2CCCO3)cc(O)c1O ZINC000085625781 565158891 /nfs/dbraw/zinc/15/88/91/565158891.db2.gz PZAFQPWHNJUUPN-CQTOTRCISA-N 0 0 664.755 6.489 1 10 biogenic,in-vitro KKCFRN CC[C@H]1c2ccnc(c2)Nc2ccc3cc(O)ccc3c2CC[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]1[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625711 565159179 /nfs/dbraw/zinc/15/91/79/565159179.db2.gz KEBKBUCRCHAGNS-SYZOAGHCSA-N 0 0 692.809 7.611 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](CC(=O)[C@H](CCCCC)[C@H](O)CCc1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 ZINC000085626307 291932019 /nfs/dbraw/zinc/93/20/19/291932019.db2.gz IGFCWKCPFXJOKF-QLBJFCOMSA-N 0 0 500.676 6.625 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5CCC[C@@H](C)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596330 291964020 /nfs/dbraw/zinc/96/40/20/291964020.db2.gz PQPFLLVBLRWCNG-PXZJUXDMSA-N 0 0 590.737 6.078 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625829 291968414 /nfs/dbraw/zinc/96/84/14/291968414.db2.gz HOSNYOSJKYPEHF-KAYWLYCHSA-N 0 0 566.691 5.687 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3ccnc(N)c3)CC[C@H](O)[C@H]2Cc2ccc[nH]2)ccc1O ZINC000085625652 291969001 /nfs/dbraw/zinc/96/90/01/291969001.db2.gz RELXQIJQZUUDEC-JMSUUCCSSA-N 0 0 686.826 5.001 1 10 biogenic,in-vitro KKCFRN Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 ZINC000002936811 561681319 /nfs/dbraw/zinc/68/13/19/561681319.db2.gz HFNGYYIRICQICP-WZONZLPQSA-N 0 0 503.755 5.650 1 10 KKCFRN COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3OC)C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000003588904 561682070 /nfs/dbraw/zinc/68/20/70/561682070.db2.gz OSQUDRJWOQKPJK-JWQCQUIFSA-N 0 0 500.547 5.017 1 10 KKCFRN O=C1C(=Cc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000005800926 561698117 /nfs/dbraw/zinc/69/81/17/561698117.db2.gz AKOKPFRPVNDJHL-ONUIUJJFSA-N 0 0 517.570 6.457 1 10 KKCFRN CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(C)c2)c1-c1ccccc1 ZINC000005832937 561698896 /nfs/dbraw/zinc/69/88/96/561698896.db2.gz OCKINMVVEBMOLS-ULDVOPSXSA-N 0 0 543.627 8.009 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1C)[C@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000026166399 561769347 /nfs/dbraw/zinc/76/93/47/561769347.db2.gz SXZLYNGXPBMUFE-GGXMVOPNSA-N 0 0 504.074 5.290 1 10 KKCFRN CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC000026486449 561792518 /nfs/dbraw/zinc/79/25/18/561792518.db2.gz UHAGKVLCYZOHCZ-UHFFFAOYSA-N 0 0 532.739 6.524 1 10 KKCFRN c1ccc(N2CCN(c3ccccc3)C2c2ccc(N3CCN(c4ccc(C5N(c6ccccc6)CCN5c5ccccc5)cc4)CC3)cc2)cc1 ZINC000026649974 561808198 /nfs/dbraw/zinc/80/81/98/561808198.db2.gz JWJQJRMGVIDLBC-UHFFFAOYSA-N 0 0 682.916 9.064 1 10 KKCFRN CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc32)c(OC)c1 ZINC000026841561 561825833 /nfs/dbraw/zinc/82/58/33/561825833.db2.gz BKVUSYZWVKQBJR-UHFFFAOYSA-N 0 0 506.628 5.561 1 10 KKCFRN CCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O ZINC000026847213 561826768 /nfs/dbraw/zinc/82/67/68/561826768.db2.gz DODQVOSUXHOXGH-UHFFFAOYSA-N 0 0 520.611 6.303 1 10 KKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2cc(Br)ccc21 ZINC000026848492 561826887 /nfs/dbraw/zinc/82/68/87/561826887.db2.gz UPBNXMBXHNJGGD-UHFFFAOYSA-N 0 0 551.260 6.037 1 10 KKCFRN CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(S(C)(=O)=O)ccc32)c(OC)c1 ZINC000026940829 561828115 /nfs/dbraw/zinc/82/81/15/561828115.db2.gz WDNLIJHDVYZCCE-UHFFFAOYSA-N 0 0 541.695 5.866 1 10 KKCFRN O=C(Oc1cccc2c1C(=O)c1cccc(OC(=O)c3ccc(Cl)cc3Cl)c1C2=O)c1ccc(Cl)cc1Cl ZINC000026978989 561831158 /nfs/dbraw/zinc/83/11/58/561831158.db2.gz ARJAJHSSYBKTMT-UHFFFAOYSA-N 0 0 586.210 7.514 1 10 KKCFRN Cc1ccc[n+]2c1N[C@H](c1ccccc1)C2=COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000027560153 561870511 /nfs/dbraw/zinc/87/05/11/561870511.db2.gz IZHHCHSCRMEULY-UZNNEEJFSA-O 0 0 582.680 5.455 1 10 KKCFRN CCc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027985889 561892276 /nfs/dbraw/zinc/89/22/76/561892276.db2.gz NALHWDWTFOPHLC-SJHOIFEDSA-N 0 0 676.605 5.300 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027993569 561893413 /nfs/dbraw/zinc/89/34/13/561893413.db2.gz VMUOFFFWZGGOFF-ZTTQLQLLSA-N 0 0 704.659 6.182 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027993551 561893441 /nfs/dbraw/zinc/89/34/41/561893441.db2.gz VMUOFFFWZGGOFF-QASPDRGBSA-N 0 0 704.659 6.182 1 10 KKCFRN CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999663 561894404 /nfs/dbraw/zinc/89/44/04/561894404.db2.gz QQHTYTFQFLVPDM-NQVJXQQZSA-N 0 0 690.632 5.792 1 10 KKCFRN CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028002656 561894957 /nfs/dbraw/zinc/89/49/57/561894957.db2.gz XLHYRXMOCWVVCQ-BNHMMOKISA-N 0 0 704.659 5.867 1 10 KKCFRN CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028007129 561895831 /nfs/dbraw/zinc/89/58/31/561895831.db2.gz AIGYDNZRUITCRV-NQVJXQQZSA-N 0 0 705.647 5.262 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1C1CCCC1 ZINC000028009855 561896243 /nfs/dbraw/zinc/89/62/43/561896243.db2.gz MNPZZDKEEMTKMB-BNHMMOKISA-N 0 0 717.658 5.721 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1CC1CC1 ZINC000028010782 561896396 /nfs/dbraw/zinc/89/63/96/561896396.db2.gz JITPNAAGRBZQKO-NQVJXQQZSA-N 0 0 703.631 5.016 1 10 KKCFRN COc1ccc(C2=C/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C(=O)N2Cc2ccccc2)cc1 ZINC000028712358 561952979 /nfs/dbraw/zinc/95/29/79/561952979.db2.gz AGGMSONZQHZMIM-SGWCAAJKSA-N 0 0 509.609 7.015 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc2c(c1)C(=O)NC2=O ZINC000028822676 561967577 /nfs/dbraw/zinc/96/75/77/561967577.db2.gz HLKOTEDELHPERH-UHFFFAOYSA-N 0 0 523.333 5.956 1 10 KKCFRN Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O ZINC000028979748 561988257 /nfs/dbraw/zinc/98/82/57/561988257.db2.gz WIAKRAUTQVUHHL-UHFFFAOYSA-N 0 0 547.819 5.150 1 10 in-vivo KKCFRN CC(C)Cn1c2ccc(C(=O)c3sccc3Cl)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000029125873 561998075 /nfs/dbraw/zinc/99/80/75/561998075.db2.gz PHVPWRNIWKDXFZ-UHFFFAOYSA-N 0 0 529.065 6.139 1 10 KKCFRN Cc1c([C@H](Oc2cccc(Cl)c2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000029394484 562018172 /nfs/dbraw/zinc/01/81/72/562018172.db2.gz ICWULWVOGVGCFX-VWLOTQADSA-N 0 0 537.962 7.331 1 10 KKCFRN Oc1c(CN2CCOCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc32)cc1CN1CCOCC1 ZINC000029488411 562028783 /nfs/dbraw/zinc/02/87/83/562028783.db2.gz JKYZAOOQVVBIAR-UHFFFAOYSA-N 0 0 560.698 6.169 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccccc3F)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338913 562057488 /nfs/dbraw/zinc/05/74/88/562057488.db2.gz LSAWABVELLFMEE-UHFFFAOYSA-N 0 0 522.584 5.730 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3cccc(F)c3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338912 562057503 /nfs/dbraw/zinc/05/75/03/562057503.db2.gz WMBRQAIVUWMVFS-UHFFFAOYSA-N 0 0 522.584 5.730 1 10 KKCFRN CCCCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338918 562057676 /nfs/dbraw/zinc/05/76/76/562057676.db2.gz WLQXMZGRKAHBAE-UHFFFAOYSA-N 0 0 548.647 5.990 1 10 KKCFRN C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040441876 562077076 /nfs/dbraw/zinc/07/70/76/562077076.db2.gz FQYQSAGLJZFKMU-NRGFHUJMSA-N 0 0 500.739 8.548 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000040900006 562083412 /nfs/dbraw/zinc/08/34/12/562083412.db2.gz RUIXOIFHHOZIIO-HXPDSULBSA-N 0 0 501.543 5.528 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000040901258 562083526 /nfs/dbraw/zinc/08/35/26/562083526.db2.gz QGUDADANUNQPLT-HXPDSULBSA-N 0 0 501.543 5.528 1 10 KKCFRN CC(=O)c1ccc(NCC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040913964 562083646 /nfs/dbraw/zinc/08/36/46/562083646.db2.gz RBASOWVQRXKYIO-XMMPIXPASA-N 0 0 504.930 5.022 1 10 KKCFRN Cc1cc(OCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040913831 562083686 /nfs/dbraw/zinc/08/36/86/562083686.db2.gz BQWPDTKCNRXHRG-HSZRJFAPSA-N 0 0 501.797 6.494 1 10 KKCFRN CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OC3CCCC3)c2)O1 ZINC000085597299 560063034 /nfs/dbraw/zinc/06/30/34/560063034.db2.gz NPFPCCCHPIBHSY-PJKQZJAASA-N 0 0 556.696 6.724 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597256 560063043 /nfs/dbraw/zinc/06/30/43/560063043.db2.gz IRPUGAKJOMJQMZ-WLKPROSASA-N 0 0 593.717 6.420 1 10 biogenic,in-vitro KKCFRN CCc1c(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4CC)[C@]1(C)C3=CCC(C#N)(C#N)C1(C#N)C#N ZINC000044181607 562652492 /nfs/dbraw/zinc/65/24/92/562652492.db2.gz GBLNHZPKBBAAEG-BHVANESWSA-N 0 0 604.762 8.017 1 10 KKCFRN COc1ccc(CCN(C[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)OC(C)(C)C)cc1OC ZINC000044307596 562654047 /nfs/dbraw/zinc/65/40/47/562654047.db2.gz BOTUJSCWQNNVJO-NDEPHWFRSA-N 0 0 576.734 5.876 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000044418627 562657336 /nfs/dbraw/zinc/65/73/36/562657336.db2.gz JKNRDZFBYLLNGC-ZQWAWDFXSA-N 0 0 534.656 7.326 1 10 KKCFRN O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)cc(F)c4)c4cnccc34)ccc21 ZINC000049614497 562666561 /nfs/dbraw/zinc/66/65/61/562666561.db2.gz JIVPBQZUQYHPRB-UHFFFAOYSA-N 0 0 657.721 7.797 1 10 KKCFRN Nc1nn2c(nc(N)c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c2N)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000049694591 562669525 /nfs/dbraw/zinc/66/95/25/562669525.db2.gz FWMYFHDBZULCDF-WHKVUHAGSA-N 0 0 580.620 9.138 1 10 KKCFRN O=C1[C@@H](CCn2cc(CO[C@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000049780545 562681889 /nfs/dbraw/zinc/68/18/89/562681889.db2.gz WVULPKGXVXJPEV-SKQHJFOWSA-N 0 0 620.662 5.157 1 10 KKCFRN COc1ccc(-c2ccnc3c(C(=O)Nc4ccc5c(c4)C(=O)c4ccccc4C5=O)c(Nc4ccccc4)nn32)cc1 ZINC000049793719 562685129 /nfs/dbraw/zinc/68/51/29/562685129.db2.gz YZDPDTAPQVZZPQ-UHFFFAOYSA-N 0 0 565.589 6.176 1 10 KKCFRN COC(=O)CCCN(Cc1cc(O)c(O)c(Br)c1Br)C(=O)NCc1cc(O)c(O)c(Br)c1Br ZINC000049908023 562693419 /nfs/dbraw/zinc/69/34/19/562693419.db2.gz BANXGRRNHYDBBM-UHFFFAOYSA-N 0 0 720.003 5.224 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000058522962 562698528 /nfs/dbraw/zinc/69/85/28/562698528.db2.gz GQVGSIVEBRSFBK-WEZIJMHWSA-N 0 0 603.546 8.633 1 10 KKCFRN O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)c(F)c(F)c4)c4cnccc34)ccc21 ZINC000063298575 562704446 /nfs/dbraw/zinc/70/44/46/562704446.db2.gz PHMQDWBSDYUPSP-UHFFFAOYSA-N 0 0 675.711 7.936 1 10 KKCFRN Oc1cc(Oc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O ZINC000064512664 562706286 /nfs/dbraw/zinc/70/62/86/562706286.db2.gz USVLQGJGFKJBRW-UHFFFAOYSA-N 0 0 549.791 5.351 1 10 in-vivo KKCFRN COc1ccc(/C=C2\C(=O)N(c3ccc(NS(C)(=O)=O)cc3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064528251 562707302 /nfs/dbraw/zinc/70/73/02/562707302.db2.gz AMIXOSBSYNUFTI-BKUYFWCQSA-N 0 0 563.529 5.133 1 10 KKCFRN COc1ccc(-c2nnc(Cn3c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000066075332 562710004 /nfs/dbraw/zinc/71/00/04/562710004.db2.gz LISIIPVLWQVZSP-UHFFFAOYSA-N 0 0 526.640 7.662 1 10 KKCFRN Cc1ccc(C2=NN[C@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3O)C2)cc1 ZINC000071294479 562716902 /nfs/dbraw/zinc/71/69/02/562716902.db2.gz DJXTZOPWHVAQFS-CONSDPRKSA-N 0 0 516.645 6.183 1 10 KKCFRN Cc1ccc(C2=NN[C@@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3O)C2)cc1 ZINC000071294480 562716915 /nfs/dbraw/zinc/71/69/15/562716915.db2.gz DJXTZOPWHVAQFS-QRRGNZNSSA-N 0 0 516.645 6.183 1 10 KKCFRN Cc1c([C@@H](c2cccc(Cl)c2)C2O[C@@H]3C(=C2C)C(=O)C(=O)c2c4c(ccc23)C(C)(C)CCC4)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000072185765 562732942 /nfs/dbraw/zinc/73/29/42/562732942.db2.gz DZAQEUPJBGFLJC-FNYNPLPQSA-N 0 0 713.270 10.074 1 10 KKCFRN O=C(NCCCCCCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)c1cc(=O)c2cc(O)c([O-])cc2o1 ZINC000084618919 562745166 /nfs/dbraw/zinc/74/51/66/562745166.db2.gz CHOPUPNENHIZKQ-UHFFFAOYSA-N 0 0 626.581 7.901 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084706360 562749984 /nfs/dbraw/zinc/74/99/84/562749984.db2.gz SUNZNLXTAMBVLD-UHFFFAOYSA-N 0 0 551.462 5.124 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc(Br)s3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095557792 562762214 /nfs/dbraw/zinc/76/22/14/562762214.db2.gz JYLIJAMQXPVHOQ-UHFFFAOYSA-N 0 0 588.958 8.692 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc4ccccc4c3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095561951 562763558 /nfs/dbraw/zinc/76/35/58/562763558.db2.gz XRQJCBXPVOSAHB-UHFFFAOYSA-N 0 0 554.093 9.021 1 10 KKCFRN COc1cc(/C=C2\SC(=S)N(CCCNc3ccnc4cc(Cl)ccc43)C2=O)cc(OC)c1OC ZINC000095587538 562774374 /nfs/dbraw/zinc/77/43/74/562774374.db2.gz OXOMKWNLCYPMJN-XKZIYDEJSA-N 0 0 530.071 5.617 1 10 KKCFRN COc1ccc(NC2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3Cl)S2)c(OC)c1 ZINC000096906250 562798718 /nfs/dbraw/zinc/79/87/18/562798718.db2.gz JMJAIJQMLVWECY-MSXFZWOLSA-N 0 0 551.455 6.946 1 10 KKCFRN CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(Cl)cc1 ZINC000096915650 562800997 /nfs/dbraw/zinc/80/09/97/562800997.db2.gz VDGQWYHEPOPSGQ-RUZDIDTESA-N 0 0 518.452 7.228 1 10 KKCFRN COc1ccc(CNc2ccc(OS(=O)(=O)c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096938917 562804581 /nfs/dbraw/zinc/80/45/81/562804581.db2.gz VTZXTZLAVFOTEP-UHFFFAOYSA-N 0 0 513.571 5.159 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccccc3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101007712 562808653 /nfs/dbraw/zinc/80/86/53/562808653.db2.gz JLMDTMIJQQPZDN-ZLBRTXFESA-N 0 0 523.405 6.838 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccccc3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101007709 562808660 /nfs/dbraw/zinc/80/86/60/562808660.db2.gz JLMDTMIJQQPZDN-BKWYIPCTSA-N 0 0 523.405 6.838 1 10 KKCFRN Cc1cccc(-n2c(=O)c3c([nH]c2=S)NC(=O)N(N=Nc2ccc(Cl)cc2)[C@H]3c2ccccc2Cl)c1 ZINC000101013552 562808706 /nfs/dbraw/zinc/80/87/06/562808706.db2.gz NYWUZTDBANMCGE-WTRUXQSKSA-N 0 0 537.432 7.146 1 10 KKCFRN COc1ccc([C@H]2CC(c3cc4cc(O)ccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000103174932 562815032 /nfs/dbraw/zinc/81/50/32/562815032.db2.gz BVRMAKYXRZRXGV-MUUNZHRXSA-N 0 0 583.604 6.282 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000103187759 562815515 /nfs/dbraw/zinc/81/55/15/562815515.db2.gz CXEVVLQVPNYDKI-XMHVBLFMSA-N 0 0 567.852 6.832 1 10 KKCFRN COc1ccc(-c2[s+]c(=S)[n-]n2C(=O)c2ccc(Nc3nc(-c4ccccc4)nc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000103201694 562816133 /nfs/dbraw/zinc/81/61/33/562816133.db2.gz UYSAVJUWLHMPKS-UHFFFAOYSA-O 0 0 593.670 6.345 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103210380 562816633 /nfs/dbraw/zinc/81/66/33/562816633.db2.gz DZNJLDAHWOHJAG-NVQSTNCTSA-N 0 0 529.984 7.090 1 10 KKCFRN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000103210113 562816663 /nfs/dbraw/zinc/81/66/63/562816663.db2.gz YGLSXTCXHXBGBZ-MHZLTWQESA-N 0 0 598.641 5.078 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccccc2Cl)cc1 ZINC000103222601 562817505 /nfs/dbraw/zinc/81/75/05/562817505.db2.gz PPKCCYQLMIDYQY-QNEJGDQOSA-N 0 0 519.432 7.836 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1c2ccccc2cc2ccccc21 ZINC000103236048 562818771 /nfs/dbraw/zinc/81/87/71/562818771.db2.gz KCCHUYDBXIMNPM-UMSFTDKQSA-N 0 0 609.571 6.874 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1c2ccccc2cc2ccccc21 ZINC000103236050 562818813 /nfs/dbraw/zinc/81/88/13/562818813.db2.gz KCCHUYDBXIMNPM-UUWRZZSWSA-N 0 0 609.571 6.874 1 10 KKCFRN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Sc3ncnc4[nH]cnc43)c(O)c3ccccc23)cc1 ZINC000103267376 562822397 /nfs/dbraw/zinc/82/23/97/562822397.db2.gz IJDXTLPHQZHCEW-UHFFFAOYSA-N 0 0 505.625 5.461 1 10 KKCFRN COc1ccc(Cn2nc(C3CC3)cc2NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000103282175 562823635 /nfs/dbraw/zinc/82/36/35/562823635.db2.gz PFUGBBMTEHJYPT-WGARJPEWSA-N 0 0 605.141 6.571 1 10 KKCFRN CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N[C@](C)(c2ccc(N(C)C)cc2)C1=O ZINC000114059571 562827462 /nfs/dbraw/zinc/82/74/62/562827462.db2.gz RFWGIZMRALGUEU-RUZDIDTESA-N 0 0 589.577 5.644 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582236 562845523 /nfs/dbraw/zinc/84/55/23/562845523.db2.gz JIXCEOPOYUFFSV-XLNFBEDTSA-N 0 0 640.675 5.912 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592842 562846352 /nfs/dbraw/zinc/84/63/52/562846352.db2.gz IRWPDUIIPLGLGQ-SSDBZWBDSA-N 0 0 684.891 8.374 1 10 KKCFRN COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCCNc4ccc5nnn6c5c4c(=O)c4ccccc46)CC3)c2c1 ZINC000150625413 562848915 /nfs/dbraw/zinc/84/89/15/562848915.db2.gz JYDQVJIJQJVLIZ-UHFFFAOYSA-N 0 0 661.210 6.119 1 10 KKCFRN Nc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)[N-]S(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000165288178 562850089 /nfs/dbraw/zinc/85/00/89/562850089.db2.gz IUVGTMVWFCZRNT-UHFFFAOYSA-N 0 0 811.361 7.569 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326964 562857946 /nfs/dbraw/zinc/85/79/46/562857946.db2.gz LWZSYMQEHFEMQB-DEXQXJORSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327035 562857999 /nfs/dbraw/zinc/85/79/99/562857999.db2.gz WDYIUGPZBKYXEJ-ADKRDUOOSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169330533 562858719 /nfs/dbraw/zinc/85/87/19/562858719.db2.gz ABZVKOURCAHCGJ-MHZLTWQESA-N 0 0 602.374 5.390 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331337 562858971 /nfs/dbraw/zinc/85/89/71/562858971.db2.gz ULKSZVFXGSMZGC-HJWYETAXSA-N 0 0 616.401 5.779 1 10 KKCFRN COc1ccccc1/C=C1/SC(N2CCC[C@H]2C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)=NC1=O ZINC000206914455 562876594 /nfs/dbraw/zinc/87/65/94/562876594.db2.gz RAWZIWZVWWDHAA-PODSUIKTSA-N 0 0 585.089 6.109 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2cccc(Br)c2)S1 ZINC000206925050 562876614 /nfs/dbraw/zinc/87/66/14/562876614.db2.gz NSNBMHHTVLYYNO-ZHIQAQTNSA-N 0 0 633.959 6.863 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 ZINC000299826959 562884011 /nfs/dbraw/zinc/88/40/11/562884011.db2.gz VAPOSDUSVFRAHF-XSSWQJIQSA-N 0 0 642.760 7.009 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000299830411 562885252 /nfs/dbraw/zinc/88/52/52/562885252.db2.gz MZBKNCYXTMGAKM-NMTARAHESA-N 0 0 515.660 6.070 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000299830404 562885271 /nfs/dbraw/zinc/88/52/71/562885271.db2.gz MZBKNCYXTMGAKM-BPTDDQHESA-N 0 0 515.660 6.070 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083440 562896805 /nfs/dbraw/zinc/89/68/05/562896805.db2.gz BRFWKYXKJCXZNI-VUMGZPTDSA-N 0 0 601.717 6.996 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473084209 562896868 /nfs/dbraw/zinc/89/68/68/562896868.db2.gz QXWJURHFGDANKD-IOOSODASSA-N 0 0 551.657 5.843 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473088578 562897321 /nfs/dbraw/zinc/89/73/21/562897321.db2.gz OYTZRNOEZYEYKL-FGZKMHPOSA-N 0 0 651.781 7.279 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473089024 562897367 /nfs/dbraw/zinc/89/73/67/562897367.db2.gz QKRIGQYFCDHLED-DHJMFLCTSA-N 0 0 552.645 5.238 1 10 KKCFRN CCCCCCN(C)c1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473092268 562897714 /nfs/dbraw/zinc/89/77/14/562897714.db2.gz RZVYXFRTYHKSFN-HKBQPEDESA-N 0 0 543.752 6.179 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Cl)cc1 ZINC000473112977 562898773 /nfs/dbraw/zinc/89/87/73/562898773.db2.gz FAGHOYJIBPHWDW-SZKYFQMISA-N 0 0 533.444 8.765 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134049 562900473 /nfs/dbraw/zinc/90/04/73/562900473.db2.gz BKADAQPMXGOROO-KSYVTSLUSA-N 0 0 595.721 6.988 1 10 KKCFRN CCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1 ZINC000473135071 562900622 /nfs/dbraw/zinc/90/06/22/562900622.db2.gz FJQGLTDCAOPEQM-UHFFFAOYSA-N 0 0 536.598 6.418 1 10 KKCFRN Cc1nn2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473137276 562901169 /nfs/dbraw/zinc/90/11/69/562901169.db2.gz XRVQGYRMIHNMNC-UHFFFAOYSA-N 0 0 542.989 6.509 1 10 KKCFRN COCCOCCOCCOCCN(C)c1ccc(C=C2CC(=Cc3ccc(N(C)CCOCCOCCOCCOC)cc3)C2)cc1 ZINC000473153364 562902007 /nfs/dbraw/zinc/90/20/07/562902007.db2.gz BCGXIMPTWSACKE-UHFFFAOYSA-N 0 0 670.888 5.212 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473248719 562905068 /nfs/dbraw/zinc/90/50/68/562905068.db2.gz QCNMQNPPXJNNLC-UKCWQBPBSA-N 0 0 650.793 7.884 1 10 KKCFRN Nc1ccc2c(c1)/C(=C/c1cn(CC(O)Cn3cc(/C=C4\C(=O)Nc5ccc(N)cc54)c4ccccc43)c3ccccc13)C(=O)N2 ZINC000653737722 562909858 /nfs/dbraw/zinc/90/98/58/562909858.db2.gz HTWOPPGMQLSIKA-XPFRXSEHSA-N 0 0 606.686 5.807 1 10 KKCFRN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1cn(CC(O)Cn2cc(/C=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c3ccccc32)c2ccccc12 ZINC000653737692 562909872 /nfs/dbraw/zinc/90/98/72/562909872.db2.gz AFUJEDNQCYGRGI-XPFRXSEHSA-N 0 0 666.650 6.459 1 10 KKCFRN COc1cccc2c1nc1ccccc1c2Nc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000653776591 562911988 /nfs/dbraw/zinc/91/19/88/562911988.db2.gz YXZXATDCQSYAIQ-UHFFFAOYSA-N 0 0 502.496 7.803 1 10 KKCFRN FCCOCCOCCOc1ccc(N2CC[NH+](CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1 ZINC000653779663 562912069 /nfs/dbraw/zinc/91/20/69/562912069.db2.gz HNJLDLZXLNMYGR-UHFFFAOYSA-N 0 0 577.716 6.296 1 10 KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625447 565159095 /nfs/dbraw/zinc/15/90/95/565159095.db2.gz URBZUBUSTVWSFS-VTRIWSNPSA-N 0 0 612.719 6.328 1 10 biogenic,in-vitro KKCFRN COc1cc([C@@H]2CCc3c(ccc4cc(O)ccc43)Nc3cc(ccn3)C[C@@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000085625707 565159147 /nfs/dbraw/zinc/15/91/47/565159147.db2.gz VPUYLIXDQJRAID-OYIUICCJSA-N 0 0 690.793 6.976 1 10 biogenic,in-vitro KKCFRN CCCCCc1cc([C@@H]2CC[C@@H]3[C@@H](O)C[C@@H](c4cc(O)c(O)c(OC)c4Cc4cc[nH]c4)O[C@H]3C2)ccc1O ZINC000085596377 291935512 /nfs/dbraw/zinc/93/55/12/291935512.db2.gz VJFCMVWICFFWPB-JERQQTESSA-N 0 0 534.673 6.024 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625751 291968993 /nfs/dbraw/zinc/96/89/93/291968993.db2.gz LMTBNWWXIDPULZ-CBZWEFONSA-N 0 0 734.890 8.468 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(O[C@@H]4CCC5(CCCC5)C4)c3)O2)ccc1O ZINC000085597267 291969781 /nfs/dbraw/zinc/96/97/81/291969781.db2.gz ZWLTZLYHYTYMKM-VNAWGFGGSA-N 0 0 540.653 6.088 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@@]2(c3ccnc(N)c3)CC[C@@H](O)[C@@H]2Cc2ccc[nH]2)ccc1O ZINC000085625644 291969240 /nfs/dbraw/zinc/96/92/40/291969240.db2.gz PWMQSAWCDCHQKI-SUSXKRGESA-N 0 0 714.880 5.781 1 10 biogenic,in-vitro KKCFRN O=C(Nc1ccc(N2C(=O)CS[C@@H]2c2ccccc2O)cc1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2O)cc1 ZINC000006005034 561701324 /nfs/dbraw/zinc/70/13/24/561701324.db2.gz GNLUEPSZHATBLB-FIRIVFDPSA-N 0 0 583.691 5.907 1 10 KKCFRN COc1ccc([C@@]2(Cc3ccncc3)C(=O)c3ccc(OCc4ccccc4)cc3C2=O)cc1OC1CCCC1 ZINC000014096435 561736570 /nfs/dbraw/zinc/73/65/70/561736570.db2.gz OGBJRNXYVDSUAD-UMSFTDKQSA-N 0 0 533.624 6.550 1 10 KKCFRN NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000017577076 561756432 /nfs/dbraw/zinc/75/64/32/561756432.db2.gz WIKZWJMTRABDFT-RUZDIDTESA-N 0 0 579.495 5.092 3 10 KKCFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026375488 561781805 /nfs/dbraw/zinc/78/18/05/561781805.db2.gz PXMVFFZDJQCKOX-UHFFFAOYSA-N 0 0 567.598 5.026 1 10 KKCFRN COc1ccc2c(c1)c(CC(=O)NCCOC(=O)/C=C/c1ccc(N(C)C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000026723871 561815726 /nfs/dbraw/zinc/81/57/26/561815726.db2.gz IQRXPWYVQBBNDJ-FRKPEAEDSA-N 0 0 574.077 5.282 1 10 KKCFRN CN(C)c1ccc(CNC(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2Sc2ccccc2)cc1 ZINC000027430599 561859206 /nfs/dbraw/zinc/85/92/06/561859206.db2.gz YFKSJPJLKCHZEX-UHFFFAOYSA-N 0 0 531.703 5.776 1 10 KKCFRN Cc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027990412 561892938 /nfs/dbraw/zinc/89/29/38/561892938.db2.gz NOMVMGRSBAVOBD-CPBHLAHYSA-N 0 0 662.578 5.046 1 10 KKCFRN CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027997405 561894004 /nfs/dbraw/zinc/89/40/04/561894004.db2.gz NWKHRBXPRGJHIL-CYEXUTLASA-N 0 0 705.647 5.325 1 10 KKCFRN O=C1N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)C1(CCCCCCc1ccccc1)CCCCCCc1ccccc1 ZINC000028472470 561927281 /nfs/dbraw/zinc/92/72/81/561927281.db2.gz YJJBMNIHQCUFAL-UHFFFAOYSA-N 0 0 641.683 10.661 1 10 KKCFRN C[NH+](C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N=NC2C(=O)Nc3c2cccc3C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000028562822 561935308 /nfs/dbraw/zinc/93/53/08/561935308.db2.gz FUFZXBPFZRPAOZ-QNEJGDQOSA-N 0 0 614.080 5.061 1 10 KKCFRN CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000028649209 561945613 /nfs/dbraw/zinc/94/56/13/561945613.db2.gz QAVHCEUJCDWXLO-UHFFFAOYSA-N 0 0 513.719 7.175 1 10 KKCFRN CN/N=N\c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F ZINC000028704705 561948795 /nfs/dbraw/zinc/94/87/95/561948795.db2.gz FIIKSEKOMMTRHA-UHFFFAOYSA-N 0 0 506.492 6.080 1 10 KKCFRN O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccc(O)cc3)cc3nc4ccccc4n3c21 ZINC000028819631 561965606 /nfs/dbraw/zinc/96/56/06/561965606.db2.gz HPQBLOVWHIIMFO-FMIVXFBMSA-N 0 0 511.537 6.019 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(-c2cccnc2)c1 ZINC000028822662 561967422 /nfs/dbraw/zinc/96/74/22/561967422.db2.gz XODGYDSBYGEMIU-UHFFFAOYSA-N 0 0 531.400 8.134 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(C(=O)N(C)C)c1 ZINC000028822646 561967470 /nfs/dbraw/zinc/96/74/70/561967470.db2.gz VTLHUURIRYDQFI-UHFFFAOYSA-N 0 0 525.393 6.774 1 10 KKCFRN COC(=O)C(C)(C)c1nc2n(c1CN(C)Cc1ccccc1O)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029473774 562026041 /nfs/dbraw/zinc/02/60/41/562026041.db2.gz PBIDMWZNERIHPU-UHFFFAOYSA-N 0 0 612.702 5.456 1 10 KKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC3CCCCCCCCCCC3)cccc21 ZINC000029484830 562028005 /nfs/dbraw/zinc/02/80/05/562028005.db2.gz HNSZZHDLJWSBFS-UHFFFAOYSA-N 0 0 602.801 7.915 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338928 562057705 /nfs/dbraw/zinc/05/77/05/562057705.db2.gz XCSJZQINTSVQMV-UHFFFAOYSA-N 0 0 534.620 5.600 1 10 KKCFRN C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040441879 562077066 /nfs/dbraw/zinc/07/70/66/562077066.db2.gz FQYQSAGLJZFKMU-RDACVHNMSA-N 0 0 500.739 8.548 1 10 KKCFRN O=C(N1CCC2(CC1)CC(=O)c1cc(N3CCOCC3)ccc1O2)N1c2ccccc2Oc2ccccc21 ZINC000040935101 562084980 /nfs/dbraw/zinc/08/49/80/562084980.db2.gz LVKSVDKDUFVPTH-UHFFFAOYSA-N 0 0 511.578 5.387 1 10 KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccccc3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627530 560068802 /nfs/dbraw/zinc/06/88/02/560068802.db2.gz DOSWCIKQFGGPRO-JGICCPCNSA-N 0 0 579.778 6.500 1 10 biogenic,in-vitro KKCFRN CCCC[C@@H]1CC[C@](CCc2cc(CN3CCCC3=O)c(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O ZINC000085627539 560068846 /nfs/dbraw/zinc/06/88/46/560068846.db2.gz SOZYHGOYDOQRKA-DNBKINIGSA-N 0 0 515.691 5.422 1 10 biogenic,in-vitro KKCFRN CC[C@@H](c1ccccc1)[C@H](C(=O)CCc1cc(O)c(O)c(OC)c1)[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625897 560069271 /nfs/dbraw/zinc/06/92/71/560069271.db2.gz WHIVSRKVLPIOAT-KNAJXNNHSA-N 0 0 508.611 5.126 1 10 biogenic,in-vitro KKCFRN Nc1ccc2c(c1)c(/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N)cc1c2NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043393694 562648178 /nfs/dbraw/zinc/64/81/78/562648178.db2.gz FUYRCLAXLKMFGO-NHQGMKOOSA-N 0 0 598.492 6.645 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000044352245 562655053 /nfs/dbraw/zinc/65/50/53/562655053.db2.gz LNBVBHQKBZKCSF-TWJUONSBSA-N 0 0 580.681 6.953 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419061 562657424 /nfs/dbraw/zinc/65/74/24/562657424.db2.gz BEIDKQKEZYWDLQ-MHEMTQTFSA-N 0 0 535.442 6.383 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2cccs2)N(c2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000044430424 562657507 /nfs/dbraw/zinc/65/75/07/562657507.db2.gz LSSFVZDTEHZUEN-RBJSKKJNSA-N 0 0 532.687 7.059 1 10 KKCFRN COc1cc2cccnc2c(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccc3ccccc32)c1 ZINC000049605396 562665805 /nfs/dbraw/zinc/66/58/05/562665805.db2.gz QBIQKSVJYQNCAA-RUZDIDTESA-N 0 0 582.770 6.934 1 10 KKCFRN O=C(NCCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2)Nc1cccc(I)c1 ZINC000049678742 562668646 /nfs/dbraw/zinc/66/86/46/562668646.db2.gz ZAKNBQXENRAVAB-IOKPGSKQSA-N 0 0 658.334 6.973 1 10 KKCFRN COc1ccc(/C=C2\SC(=S)N(c3ccc(S(=O)(=O)c4ccc(N5C(=O)/C(=C/c6ccc(OC)cc6)SC5=S)cc4)cc3)C2=O)cc1 ZINC000049695443 562670527 /nfs/dbraw/zinc/67/05/27/562670527.db2.gz MLFDZBZJARMYTK-NAZWXXJZSA-N 0 0 716.909 7.348 1 10 KKCFRN CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C(=O)Nc2ccccc2)C1 ZINC000049709943 562671462 /nfs/dbraw/zinc/67/14/62/562671462.db2.gz NRKBJOURIBYOTP-FYBSXPHGSA-N 0 0 518.661 6.030 1 10 KKCFRN CC(=O)c1cc(I)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000049722846 562672600 /nfs/dbraw/zinc/67/26/00/562672600.db2.gz PTILQQUWPSZILU-MTJIALIYSA-N 0 0 538.179 5.812 1 10 KKCFRN COc1ccc([C@@H]2[C@H](CCn3cc(CO[C@H]4Cc5c(O)cc(O)cc5O[C@@H]4c4ccc(O)c(O)c4)nn3)C(=O)N2c2ccccc2)cc1 ZINC000049780546 562681852 /nfs/dbraw/zinc/68/18/52/562681852.db2.gz PEQVSULRBJRWAE-DUFFWPMCSA-N 0 0 650.688 5.165 1 10 KKCFRN Oc1cc(COCc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O ZINC000049878235 562690539 /nfs/dbraw/zinc/69/05/39/562690539.db2.gz NVINDBOUFPDPNZ-UHFFFAOYSA-N 0 0 577.845 5.276 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc([N+](=O)[O-])cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058575654 562699634 /nfs/dbraw/zinc/69/96/34/562699634.db2.gz MHGWIPGJIJQZTA-UHFFFAOYSA-N 0 0 721.806 9.898 1 10 KKCFRN O=C(NN1C(=O)CS[C@H]1c1ccccc1O)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000058581573 562699805 /nfs/dbraw/zinc/69/98/05/562699805.db2.gz RRNRBVAKYRMPFK-PMERELPUSA-N 0 0 692.389 6.202 1 10 KKCFRN COc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(N=c4[nH]c5ccccc5s4)C3=O)cc2OC)cc1 ZINC000064447459 562705415 /nfs/dbraw/zinc/70/54/15/562705415.db2.gz AFJOUQZGKCFYFS-UCQKPKSFSA-N 0 0 578.697 5.559 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1CC1CCCC1 ZINC000072122862 562724623 /nfs/dbraw/zinc/72/46/23/562724623.db2.gz LDZNGYNAYJDCOW-PZSMLTKBSA-N 0 0 731.685 5.797 1 10 KKCFRN CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000072136425 562727920 /nfs/dbraw/zinc/72/79/20/562727920.db2.gz AIAHRTHKMSUNAN-UCQKPKSFSA-N 0 0 625.153 6.372 1 10 KKCFRN Cc1c(C2=NN(C(=S)NC(=O)c3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C2)nnn1-c1ccc(C)cc1 ZINC000084602954 562744106 /nfs/dbraw/zinc/74/41/06/562744106.db2.gz GNEVXRFDKGHLSF-LJAQVGFWSA-N 0 0 563.731 5.740 1 10 KKCFRN CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N=C1c1ccccc1 ZINC000084604538 562744313 /nfs/dbraw/zinc/74/43/13/562744313.db2.gz RRNNHZLJAXGWRW-UHFFFAOYSA-N 0 0 509.501 6.768 1 10 KKCFRN CN1C[C@@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084670865 562748401 /nfs/dbraw/zinc/74/84/01/562748401.db2.gz JZBZWDGLSQNFON-DHIFEGFHSA-N 0 0 502.545 5.160 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)C(=C4C(=O)Nc5ccc(Cl)cc54)S3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095555538 562761538 /nfs/dbraw/zinc/76/15/38/562761538.db2.gz DFAJUEPOYONFON-VNRABVQOSA-N 0 0 549.439 6.795 1 10 KKCFRN Nc1sc(-c2ccccc2)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556654 562761842 /nfs/dbraw/zinc/76/18/42/562761842.db2.gz SQAFUVHRNWJUTI-UHFFFAOYSA-N 0 0 572.052 7.103 1 10 KKCFRN O=C1N=C(NCCCCCCCCNC2=NC(=O)C(=Cc3ccc(O)cc3)S2)SC1=Cc1ccc(O)cc1 ZINC000095561983 562763556 /nfs/dbraw/zinc/76/35/56/562763556.db2.gz KDENWSRKQVEOJH-BOYKQRMESA-N 0 0 550.706 5.258 1 10 KKCFRN O=C1N=C(NCCCCCCCNC2=NC(=O)C(=Cc3ccc(-c4ccccc4)o3)S2)SC1=Cc1ccc(-c2ccccc2)o1 ZINC000095563481 562763980 /nfs/dbraw/zinc/76/39/80/562763980.db2.gz USCRDFFSFPAXDS-USBDYYCYSA-N 0 0 636.799 7.977 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc(OC)cc3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095564040 562764140 /nfs/dbraw/zinc/76/41/40/562764140.db2.gz PFFRIXQDPNYFOT-UHFFFAOYSA-N 0 0 534.059 7.876 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3cc(Cl)sc3Cl)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000095595934 562776844 /nfs/dbraw/zinc/77/68/44/562776844.db2.gz CYNFVXWBWLUEHB-OAQYLSRUSA-N 0 0 533.937 8.254 1 10 KKCFRN CC(=O)Oc1ccc2ccccc2c1/N=N/c1ccc(C2=N/C(=C/c3ccc(OC(F)(F)F)cc3)C(=O)O2)cc1 ZINC000095602601 562780147 /nfs/dbraw/zinc/78/01/47/562780147.db2.gz YFUFDONBSAKEIP-PJQQLSOJSA-N 0 0 545.473 7.424 1 10 KKCFRN COc1ccc(NC2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)c(OC)c1 ZINC000096905746 562798620 /nfs/dbraw/zinc/79/86/20/562798620.db2.gz FIKVDFDTBAACQX-OYKKKHCWSA-N 0 0 500.555 5.778 1 10 KKCFRN Clc1ccc([C@@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096915625 562801016 /nfs/dbraw/zinc/80/10/16/562801016.db2.gz GFIVSDZCDRMGIG-MUUNZHRXSA-N 0 0 544.490 7.978 1 10 KKCFRN COc1cc([C@@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096915647 562801024 /nfs/dbraw/zinc/80/10/24/562801024.db2.gz OXLYOFBTWFOJIT-HHHXNRCGSA-N 0 0 574.085 6.601 1 10 KKCFRN Cc1cc(=NCCN=c2cc(C)c3c(o2)C(=NNc2ccncc2)C(=O)C=C3)oc2c1C=CC(=O)C2=NNc1ccncc1 ZINC000098083964 562805527 /nfs/dbraw/zinc/80/55/27/562805527.db2.gz PHGGKZMZFBTQFK-HKTOSYHJSA-N 0 0 586.612 7.329 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccc(Cl)cc3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101486716 562810990 /nfs/dbraw/zinc/81/09/90/562810990.db2.gz UCGPUEQZVIIKTK-SOCFHSTRSA-N 0 0 557.850 7.491 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000103187761 562815528 /nfs/dbraw/zinc/81/55/28/562815528.db2.gz CXEVVLQVPNYDKI-IGPUNGKJSA-N 0 0 567.852 6.832 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc(Cl)cc2)cc1 ZINC000103208929 562816585 /nfs/dbraw/zinc/81/65/85/562816585.db2.gz AUXYQTGCESCUSN-QNEJGDQOSA-N 0 0 519.432 7.836 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000103221405 562817478 /nfs/dbraw/zinc/81/74/78/562817478.db2.gz VNUIMDMMDNBXOP-NVQSTNCTSA-N 0 0 529.984 7.090 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Cl)c1 ZINC000103236084 562818822 /nfs/dbraw/zinc/81/88/22/562818822.db2.gz JTZKFJUKTHLBQW-AREMUKBSSA-N 0 0 543.896 5.221 1 10 KKCFRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)SC1=S ZINC000150522561 562843517 /nfs/dbraw/zinc/84/35/17/562843517.db2.gz MSTLRYGUKWIUFM-XAXJTDPRSA-N 0 0 839.051 7.853 1 10 KKCFRN O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccccc2O)C1 ZINC000150573923 562845200 /nfs/dbraw/zinc/84/52/00/562845200.db2.gz MHUNNBGORSGZME-SANMLTNESA-N 0 0 628.474 5.633 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)cc(I)c3[O-])NC1=O)O2 ZINC000150582741 562845582 /nfs/dbraw/zinc/84/55/82/562845582.db2.gz SCOYRPVAVNZADG-RZFQCGOMSA-N 0 0 801.472 7.979 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1F ZINC000150604243 562847650 /nfs/dbraw/zinc/84/76/50/562847650.db2.gz ZNTNQMVEAXDENP-HPNDGRJYSA-N 0 0 653.711 6.254 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326980 562857904 /nfs/dbraw/zinc/85/79/04/562857904.db2.gz WJNWVMFWFDUGOS-WVDZOPJMSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326961 562857912 /nfs/dbraw/zinc/85/79/12/562857912.db2.gz LWZSYMQEHFEMQB-HJWYETAXSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326971 562857926 /nfs/dbraw/zinc/85/79/26/562857926.db2.gz TURUXYRZXZQFMF-HJWYETAXSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326991 562857959 /nfs/dbraw/zinc/85/79/59/562857959.db2.gz SSNINDYYVBJJML-WVDZOPJMSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327011 562857980 /nfs/dbraw/zinc/85/79/80/562857980.db2.gz VSKJILPZORNUII-JWRCQZCYSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327028 562857986 /nfs/dbraw/zinc/85/79/86/562857986.db2.gz WDYIUGPZBKYXEJ-CQGGRAHPSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327059 562858018 /nfs/dbraw/zinc/85/80/18/562858018.db2.gz RRNXXCRBTDWRQA-PSTIOWGYSA-N 0 0 587.565 6.169 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169330534 562858726 /nfs/dbraw/zinc/85/87/26/562858726.db2.gz KEHCILKMVOAYSU-HHHXNRCGSA-N 0 0 602.374 5.390 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331342 562858951 /nfs/dbraw/zinc/85/89/51/562858951.db2.gz NZLYSILZGOBHTK-HJWYETAXSA-N 0 0 616.401 5.779 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331339 562858955 /nfs/dbraw/zinc/85/89/55/562858955.db2.gz ULKSZVFXGSMZGC-OLRZCDJHSA-N 0 0 616.401 5.779 1 10 KKCFRN CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169332694 562859190 /nfs/dbraw/zinc/85/91/90/562859190.db2.gz JAKPRCPHHDOYBZ-UHFFFAOYSA-N 0 0 558.004 5.705 1 10 KKCFRN O=S(=O)(NC1CCC(=C2c3ccccc3CCc3ccccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000205535380 562875539 /nfs/dbraw/zinc/87/55/39/562875539.db2.gz ZDYYRNNUNOIBDN-UHFFFAOYSA-N 0 0 513.581 6.407 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccccc2Br)S1 ZINC000206914337 562876557 /nfs/dbraw/zinc/87/65/57/562876557.db2.gz HORXBXIAVZZWRK-ZHIQAQTNSA-N 0 0 633.959 6.863 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2cccnc2Cl)S1 ZINC000206901090 562876588 /nfs/dbraw/zinc/87/65/88/562876588.db2.gz WLAYFSYGEAPARC-HPARJBSBSA-N 0 0 590.496 6.149 1 10 KKCFRN CC(C)c1ccc2c(c1)n(C(=O)c1ccc(C(C)(C)C)cc1)c1c(O)c(O)c(O)cc1/c2=N/c1ccc(Oc2ccccc2)cc1 ZINC000213835049 562877222 /nfs/dbraw/zinc/87/72/22/562877222.db2.gz OHKYOKMELIFONA-QZQBIAJISA-N 0 0 612.726 9.045 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(c4cccc(OC(C)=O)c4)C3=O)[C@@H](c3ccccc3O)C2)cc1 ZINC000299830258 562885200 /nfs/dbraw/zinc/88/52/00/562885200.db2.gz MEQISZCJKMGKAP-UTZZCCADSA-N 0 0 545.642 5.384 1 10 KKCFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2/C=C2\SC(=S)N(c3cccc(OC(C)=O)c3)C2=O)cc1 ZINC000299832692 562885911 /nfs/dbraw/zinc/88/59/11/562885911.db2.gz QRKFPYWVCRRXAH-FPKQDGKISA-N 0 0 579.703 6.831 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2nc3ccc(S(N)(=O)=O)cc3s2)cc1 ZINC000299835229 562886760 /nfs/dbraw/zinc/88/67/60/562886760.db2.gz LAADIJCXWVMLJB-QFIPXVFZSA-N 0 0 556.511 5.128 1 10 KKCFRN COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(O)c1 ZINC000299860722 562893032 /nfs/dbraw/zinc/89/30/32/562893032.db2.gz JRDBAWRJQHLVTO-LFGICVIVSA-N 0 0 724.855 5.774 1 10 KKCFRN Cc1ccc(N=NC2=C(C)NN=C(N3Nc4onc(-c5ccccc5)c4[C@H]3c3ccc(Cl)cc3)N2)cc1 ZINC000473111613 562898628 /nfs/dbraw/zinc/89/86/28/562898628.db2.gz ASZPMAVPQJWMRR-DZEBDPPPSA-N 0 0 510.989 6.472 1 10 KKCFRN COc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4[C@@H]3c3ccc(Cl)cc3)nc2C)cc1 ZINC000473122447 562899490 /nfs/dbraw/zinc/89/94/90/562899490.db2.gz SAFIGQSDYWPSHK-ARVYSTCASA-N 0 0 529.025 8.120 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134050 562900487 /nfs/dbraw/zinc/90/04/87/562900487.db2.gz BKADAQPMXGOROO-YAFCDFEASA-N 0 0 595.721 6.988 1 10 KKCFRN O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1c2cc(Cl)ccn2nc1-c1ccccc1 ZINC000473134389 562900495 /nfs/dbraw/zinc/90/04/95/562900495.db2.gz BTQHYYBOFBTYCU-UHFFFAOYSA-N 0 0 605.060 7.867 1 10 KKCFRN C/C=C1\CN2C(=O)[C@]3(c4ccc(OC)cc4/N=N/c4cc(OC)ccc4[C@@]45C[C@H]6[C@H]7CO[C@@H]4C[C@H]7/C(=C/C)CN6C5=O)C[C@H]2[C@H]2CO[C@@H]3C[C@@H]12 ZINC000473247944 562905020 /nfs/dbraw/zinc/90/50/20/562905020.db2.gz KBADRMCVUDWFPW-TWLSCIBJSA-N 0 0 676.814 5.786 1 10 KKCFRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(CC(O)Cn2cc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)c3ccccc32)c2ccccc12 ZINC000653726156 562909098 /nfs/dbraw/zinc/90/90/98/562909098.db2.gz MTLCMLQSFONAJJ-YFBRLENGSA-N 0 0 727.652 8.576 1 10 KKCFRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn21 ZINC000653823147 562914245 /nfs/dbraw/zinc/91/42/45/562914245.db2.gz KNVHRNCFWQXQSV-UHFFFAOYSA-N 0 0 518.642 6.136 1 10 KKCFRN O[C@@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653842795 562914967 /nfs/dbraw/zinc/91/49/67/562914967.db2.gz VTRQUPBXWMJJNH-QGZVFWFLSA-N 0 0 537.428 6.960 1 10 KKCFRN O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)SC(=S)N1c1cccnc1 ZINC000653878732 562916720 /nfs/dbraw/zinc/91/67/20/562916720.db2.gz ACKWTOOJMBPVEK-XGPRFBRNSA-N 0 0 508.628 5.998 1 10 KKCFRN CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C\c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937234 571848158 /nfs/dbraw/zinc/84/81/58/571848158.db2.gz ZXDDRZYEBDQKAY-TYWKUGRSSA-N 0 0 562.835 9.310 1 10 endogenous,in-man KKCFRN CC(C)=CCc1c(O)c(O)cc2c1OC(=O)c1c(O)c(CC/C=C(\C)CCCC(C)(C)O)c(O)cc1O2 ZINC000095099120 291911601 /nfs/dbraw/zinc/91/16/01/291911601.db2.gz BGQDQJFUOISXDC-CAOOACKPSA-N 0 0 512.599 6.163 1 10 biogenic,in-vitro KKCFRN CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](OC(=O)CCc6ccc(O)c(O)c6)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000095914313 291915356 /nfs/dbraw/zinc/91/53/56/291915356.db2.gz LRDNGJPHSOZKDQ-WVMYGBKZSA-N 0 0 606.888 8.735 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](C[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1)c1cc(O)c(O)c(OCc2cccc(O)c2)c1 ZINC000085625535 291932190 /nfs/dbraw/zinc/93/21/90/291932190.db2.gz UUGQYHYNDSXCMK-YIXXDRMTSA-N 0 0 552.664 6.104 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c(CCC(C)C)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596355 291964191 /nfs/dbraw/zinc/96/41/91/291964191.db2.gz HWZDTCDSCAKEOB-ZDCMDWEJSA-N 0 0 564.699 5.372 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@H]5CCC[C@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596338 291964194 /nfs/dbraw/zinc/96/41/94/291964194.db2.gz BYBMODJWDNNNHS-BYLIWVPWSA-N 0 0 644.829 7.248 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(N)c3)CCCC23CCCC3)ccc1O ZINC000085625775 291968948 /nfs/dbraw/zinc/96/89/48/291968948.db2.gz NKJQKBBAYQPBSK-XTDWUVOQSA-N 0 0 604.744 5.592 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)C2(c3ccnc(N)c3)CCCC2)ccc1O ZINC000085625821 291968996 /nfs/dbraw/zinc/96/89/96/291968996.db2.gz MGDSYRSWWLMEIN-HVIPQOSHSA-N 0 0 592.733 5.448 1 10 biogenic,in-vitro KKCFRN COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000002935893 561681207 /nfs/dbraw/zinc/68/12/07/561681207.db2.gz GWUPKQQJJRUFIC-CYFREDJKSA-N 0 0 515.791 5.519 1 10 KKCFRN CC(C)=CCN(CC(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000003922109 561685932 /nfs/dbraw/zinc/68/59/32/561685932.db2.gz FPNXXMXRCAXJCW-YTTGMZPUSA-N 0 0 576.826 6.933 1 10 KKCFRN Cc1c(C(=O)C(=O)c2ccccc2)c(C)c(C(=O)C(=O)c2ccccc2)c(C)c1C(=O)C(=O)c1ccccc1 ZINC000005854158 561699799 /nfs/dbraw/zinc/69/97/99/561699799.db2.gz RJQBHOXZQLJGNW-UHFFFAOYSA-N 0 0 516.549 5.809 1 10 KKCFRN Cc1sc(NCCC[NH+](C)C)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000012358087 561710124 /nfs/dbraw/zinc/71/01/24/561710124.db2.gz XYXWXGMETORNHJ-PMERELPUSA-N 0 0 586.758 5.775 1 10 KKCFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccc(N)cc2)n1 ZINC000013528345 561717392 /nfs/dbraw/zinc/71/73/92/561717392.db2.gz FNOHHJHSNNPXEW-UHFFFAOYSA-N 0 0 528.657 5.260 1 10 KKCFRN CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br ZINC000026174858 561770719 /nfs/dbraw/zinc/77/07/19/561770719.db2.gz SCVDYKNGBCEKLQ-UHFFFAOYSA-N 0 0 656.003 7.208 1 10 KKCFRN CS(=O)(=O)Nc1ccc(Nc2c3ccc(Br)cc3nc3cc(Br)ccc32)cc1 ZINC000026842372 561825928 /nfs/dbraw/zinc/82/59/28/561825928.db2.gz AAJVUDYSJCBNEE-UHFFFAOYSA-N 0 0 521.234 6.028 1 10 KKCFRN CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)C1 ZINC000027428331 561858970 /nfs/dbraw/zinc/85/89/70/561858970.db2.gz RZSNHFKVCKTXTG-TWJUONSBSA-N 0 0 588.837 7.030 1 10 KKCFRN COc1cccc2c1nc1cc(Br)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1N(C)C ZINC000027726546 561881005 /nfs/dbraw/zinc/88/10/05/561881005.db2.gz YAGJWUGTDKIUHS-UHFFFAOYSA-N 0 0 515.433 5.340 1 10 KKCFRN [O-]c1c(F)cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000027861217 561887085 /nfs/dbraw/zinc/88/70/85/561887085.db2.gz XXWKPUNIFIWEFF-UHFFFAOYSA-N 0 0 529.487 5.483 1 10 KKCFRN CC[C@H](C)n1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028010769 561896437 /nfs/dbraw/zinc/89/64/37/561896437.db2.gz PZNJQMTUJHPJAN-GOJOWNLRSA-N 0 0 719.674 5.886 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(C(=O)NCc2ccncc2)cc1 ZINC000028822639 561967452 /nfs/dbraw/zinc/96/74/52/561967452.db2.gz DAZWJNWYRZYONG-UHFFFAOYSA-N 0 0 508.021 7.010 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(-c2ncccn2)c1 ZINC000028822665 561967482 /nfs/dbraw/zinc/96/74/82/561967482.db2.gz HTBFGWKMWIWWAC-UHFFFAOYSA-N 0 0 532.388 7.529 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000028822641 561967488 /nfs/dbraw/zinc/96/74/88/561967488.db2.gz ZCTVUUKBVCMSOB-DEOSSOPVSA-N 0 0 521.060 8.176 1 10 KKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cccc21 ZINC000029481535 562027469 /nfs/dbraw/zinc/02/74/69/562027469.db2.gz PJYPOBSWWOMNSY-UHFFFAOYSA-N 0 0 570.715 6.210 1 10 KKCFRN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NN2C(=O)CS[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000029565892 562034318 /nfs/dbraw/zinc/03/43/18/562034318.db2.gz AGWMFLANVAYZNX-SQGYYQGMSA-N 0 0 648.789 5.147 1 10 KKCFRN CC(C)(C)c1ccc(OCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040411366 562075343 /nfs/dbraw/zinc/07/53/43/562075343.db2.gz VRHSHIZKNVOQQA-RUZDIDTESA-N 0 0 509.433 6.829 1 10 KKCFRN CC(=O)c1ccc(NCC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040913962 562083613 /nfs/dbraw/zinc/08/36/13/562083613.db2.gz RBASOWVQRXKYIO-DEOSSOPVSA-N 0 0 504.930 5.022 1 10 KKCFRN Cc1cc(OCC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040933889 562084577 /nfs/dbraw/zinc/08/45/77/562084577.db2.gz UAXMKKYXZZBCAQ-HSZRJFAPSA-N 0 0 512.349 5.748 1 10 KKCFRN O=C(Oc1c2oc3cc(O)c(O)cc3c2c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1)c1ccccc1 ZINC000086047383 560065970 /nfs/dbraw/zinc/06/59/70/560065970.db2.gz QGMPKFMWYWBGOR-UHFFFAOYSA-N 0 0 548.503 6.514 1 10 biogenic,in-vitro KKCFRN COC(=O)c1c(-c2cc(O)c(O)cc2O)c(-c2cc(OC)ccc2OC)c2c3cc(OC)c(O)cc3ccn12 ZINC000043524257 562648979 /nfs/dbraw/zinc/64/89/79/562648979.db2.gz OUBZXZYSGGTEPO-UHFFFAOYSA-N 0 0 531.517 5.061 1 10 KKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)COc1cccc(C3(C(F)(F)F)N=N3)c1)C2(C)C ZINC000043543814 562649456 /nfs/dbraw/zinc/64/94/56/562649456.db2.gz KPSSIDOZJPSOBX-QFIPXVFZSA-N 0 0 596.558 6.046 1 10 KKCFRN COc1ccc(N2CCC(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)(c3cccc(OC)c3)CC2)cc1 ZINC000043990516 562651400 /nfs/dbraw/zinc/65/14/00/562651400.db2.gz VEWHTKWFEUYDMR-UHFFFAOYSA-N 0 0 544.740 6.893 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044308011 562654186 /nfs/dbraw/zinc/65/41/86/562654186.db2.gz GQVGSIVEBRSFBK-CQTOTRCISA-N 0 0 603.546 8.633 1 10 KKCFRN CCCCc1nc(Cl)c([C@H]2CC(c3ccccc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049073421 562664250 /nfs/dbraw/zinc/66/42/50/562664250.db2.gz HKFLMEHDGGIIFI-HXUWFJFHSA-N 0 0 512.466 7.244 1 10 KKCFRN Oc1ccc(Br)cc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)C1 ZINC000049775739 562679199 /nfs/dbraw/zinc/67/91/99/562679199.db2.gz YLLCRQLKRRVTRD-XMMPIXPASA-N 0 0 537.483 5.539 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2CC(c3cc(Cl)ccc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049780826 562682308 /nfs/dbraw/zinc/68/23/08/562682308.db2.gz OBMLPGPUZRCJBZ-FQEVSTJZSA-N 0 0 546.911 7.897 1 10 KKCFRN O=S(=O)(Nc1c(F)c(F)c(NS(=O)(=O)c2ccc(Cl)cc2)c(F)c1F)c1ccc(Cl)cc1 ZINC000049872228 562689857 /nfs/dbraw/zinc/68/98/57/562689857.db2.gz VRBITZWUMGAWAM-UHFFFAOYSA-N 0 0 529.320 5.151 1 10 KKCFRN O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCC2(CC1)CC(=O)c1cc(N3CCOCC3)ccc1O2 ZINC000049889571 562692231 /nfs/dbraw/zinc/69/22/31/562692231.db2.gz LLPJHJRUZCLBOB-UHFFFAOYSA-N 0 0 559.666 5.892 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc(O)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058582802 562699976 /nfs/dbraw/zinc/69/99/76/562699976.db2.gz NOXMAUKUIYQBMP-UHFFFAOYSA-N 0 0 692.808 9.695 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc(Cl)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058598860 562700737 /nfs/dbraw/zinc/70/07/37/562700737.db2.gz YXHKNMMITNHPDU-UHFFFAOYSA-N 0 0 711.254 10.643 1 10 KKCFRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NCCc1ccc(N)cc1 ZINC000064549213 562708012 /nfs/dbraw/zinc/70/80/12/562708012.db2.gz ZOAWPCTUOPRILF-UHFFFAOYSA-N 0 0 560.702 6.830 1 10 KKCFRN O=C1Nc2ccc(Cl)cc2[C@]12N1CSC[C@H]1[C@H](c1ccccc1Br)C21C(=O)c2ccccc2C1=O ZINC000064549981 562708179 /nfs/dbraw/zinc/70/81/79/562708179.db2.gz ONCURHDREMDJMN-BERHBOFZSA-N 0 0 565.876 5.488 1 10 KKCFRN O=C(c1c(Cl)cccc1Cl)n1cc(/C=C2\C(=O)N(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)c2ccccc21 ZINC000072106109 562720929 /nfs/dbraw/zinc/72/09/29/562720929.db2.gz BZUCTESJBLIXRR-HKWRFOASSA-N 0 0 606.292 8.671 1 10 KKCFRN Cc1ccc(S(=O)(=O)NCCCCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000084687261 562748864 /nfs/dbraw/zinc/74/88/64/562748864.db2.gz AXGYNDSGOOIISE-UHFFFAOYSA-N 0 0 542.701 6.231 1 10 KKCFRN Cc1ccc(S(=O)(=O)NCCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000084689368 562749351 /nfs/dbraw/zinc/74/93/51/562749351.db2.gz HPQQOHRIGFJEFC-UHFFFAOYSA-N 0 0 514.647 5.450 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000084722655 562751018 /nfs/dbraw/zinc/75/10/18/562751018.db2.gz BFYFNTBBJVIKLL-UHFFFAOYSA-N 0 0 632.760 8.560 1 10 KKCFRN O=C(OCc1cc(OC(=O)c2ccccc2)c2c(c1)C(=O)c1cccc(OC(=O)c3ccccc3)c1C2=O)c1ccccc1 ZINC000085584018 562753295 /nfs/dbraw/zinc/75/32/95/562753295.db2.gz ZRHSKQVZTGDTIQ-UHFFFAOYSA-N 0 0 582.564 6.257 1 10 KKCFRN COc1cc([C@@H](c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)C2O[C@@H]3C(=C2C)C(=O)C(=O)c2c4c(ccc23)C(C)(C)CCC4)cc(OC)c1OC ZINC000095543818 562757484 /nfs/dbraw/zinc/75/74/84/562757484.db2.gz SSDOHYHMKXHDRZ-NRDODUGNSA-N 0 0 768.903 9.447 1 10 KKCFRN O=C1N=C(NCCCCCCCNC2=NC(=O)C(=Cc3ccc4ccccc4c3)S2)SC1=Cc1ccc2ccccc2c1 ZINC000095557861 562762239 /nfs/dbraw/zinc/76/22/39/562762239.db2.gz HCNDCGLKLWHSJN-USBDYYCYSA-N 0 0 604.801 7.764 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095563059 562763879 /nfs/dbraw/zinc/76/38/79/562763879.db2.gz CLWQVDKFZRYEQV-UHFFFAOYSA-N 0 0 697.260 9.368 1 10 KKCFRN CCOC(=O)C1=CC[C@@H](c2ccc(N(CC)CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095603059 562780358 /nfs/dbraw/zinc/78/03/58/562780358.db2.gz NRQRKHUSOKASMQ-XZWHSSHBSA-N 0 0 577.703 6.116 3 10 KKCFRN COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCN(CCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095610362 562784337 /nfs/dbraw/zinc/78/43/37/562784337.db2.gz ZWRAEBIKHPBAAY-HSZRJFAPSA-N 0 0 757.719 8.679 1 10 KKCFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613593 562786411 /nfs/dbraw/zinc/78/64/11/562786411.db2.gz YWAAYMYTJPPBMD-YQXPURITSA-N 0 0 768.991 8.052 1 10 KKCFRN Cc1noc(C)c1-c1ccc2c(c1)n(Cc1ccccn1)c(C(C)C)c2C(=O)NCc1ccc(F)c(F)c1 ZINC000096172196 562791279 /nfs/dbraw/zinc/79/12/79/562791279.db2.gz VVOMVPNMXUMSPY-UHFFFAOYSA-N 0 0 514.576 6.688 1 10 KKCFRN COc1cc2c(cc1OC)[C@H](COc1ccc(N(C)C)cc1)N(C(=O)c1cccc(Br)c1)CC2 ZINC000096271942 562793920 /nfs/dbraw/zinc/79/39/20/562793920.db2.gz UOQQPIUNCUAJAP-DEOSSOPVSA-N 0 0 525.443 5.351 1 10 KKCFRN Oc1cc2c(cc1O)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1ccccc15)-c1ccccc1-4)c1ccccc13 ZINC000096905101 562798500 /nfs/dbraw/zinc/79/85/00/562798500.db2.gz IMFYSPKQBXTEES-UHFFFAOYSA-N 0 0 546.550 6.280 1 10 KKCFRN COc1ccc([C@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C2CCCCC2)cc1OC ZINC000096915671 562801043 /nfs/dbraw/zinc/80/10/43/562801043.db2.gz LCDGBVUHGZTLNH-PMERELPUSA-N 0 0 570.097 7.342 1 10 KKCFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1cccc2ccccc21 ZINC000096915669 562801069 /nfs/dbraw/zinc/80/10/69/562801069.db2.gz STTPMZPSHQXVCI-LJAQVGFWSA-N 0 0 534.067 7.728 1 10 KKCFRN COc1cc(C=Cc2nn(-c3ccccc3)c(CC=C3C=CC(=O)C(OC)=C3)c2N=Nc2ccc(S(N)(=O)=O)cc2)ccc1O ZINC000096927060 562802500 /nfs/dbraw/zinc/80/25/00/562802500.db2.gz VTOCXDTWWOVOIY-KBADHRNNSA-N 0 0 623.691 6.704 1 10 KKCFRN CCCCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096929414 562803043 /nfs/dbraw/zinc/80/30/43/562803043.db2.gz CINAPDHASDEDBY-UHFFFAOYSA-N 0 0 555.057 5.704 1 10 KKCFRN O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@@H]1c1ccccc1O ZINC000103209211 562816621 /nfs/dbraw/zinc/81/66/21/562816621.db2.gz ZCKUGRZYXKXVOU-HHHXNRCGSA-N 0 0 553.578 6.273 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000103221329 562817435 /nfs/dbraw/zinc/81/74/35/562817435.db2.gz IYNANHUWAJOOFA-ULIFNZDWSA-N 0 0 598.874 8.397 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cccc(Cl)c2)cc1 ZINC000103221496 562817463 /nfs/dbraw/zinc/81/74/63/562817463.db2.gz VSSRLVHSGRBZHT-QNEJGDQOSA-N 0 0 519.432 7.836 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1F ZINC000103266093 562822171 /nfs/dbraw/zinc/82/21/71/562822171.db2.gz UGGPJUBIVKKROO-NJNXFGOHSA-N 0 0 625.657 5.618 1 10 KKCFRN CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(N)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000103272909 562823071 /nfs/dbraw/zinc/82/30/71/562823071.db2.gz JUQNWJYDLWIJIH-IMRQLAEWSA-N 0 0 543.668 5.248 1 10 KKCFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 ZINC000149640119 562842750 /nfs/dbraw/zinc/84/27/50/562842750.db2.gz LZJOMSLNRFUQSC-SFHVURJKSA-N 0 0 518.683 5.164 1 10 KKCFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 ZINC000150204518 562842931 /nfs/dbraw/zinc/84/29/31/562842931.db2.gz KILFGCPWXRGPDH-KRWDZBQOSA-N 0 0 504.656 5.294 1 10 KKCFRN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2c3c(C)nn(-c4ccccc4)c3OC3=C2C(=O)N[C@@](C)(c2cc(Cl)ccc2O)N3)cc1 ZINC000150582820 562845602 /nfs/dbraw/zinc/84/56/02/562845602.db2.gz IBHLSBQRYPPZFM-SCAVLVJOSA-N 0 0 671.157 6.729 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169327004 562857988 /nfs/dbraw/zinc/85/79/88/562857988.db2.gz JXGZWPVQZNZTBC-DEXQXJORSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327054 562858062 /nfs/dbraw/zinc/85/80/62/562858062.db2.gz RRNXXCRBTDWRQA-AYLZSAKASA-N 0 0 587.565 6.169 1 10 KKCFRN CCN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N(CC)C1=S ZINC000169330172 562858655 /nfs/dbraw/zinc/85/86/55/562858655.db2.gz MFEZANZIWQMPIO-UHFFFAOYSA-N 0 0 540.088 6.844 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331345 562858975 /nfs/dbraw/zinc/85/89/75/562858975.db2.gz WMQNMIIKEGBYTM-WVDZOPJMSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331329 562858987 /nfs/dbraw/zinc/85/89/87/562858987.db2.gz IOTIFNDRCHVNBK-WVDZOPJMSA-N 0 0 616.401 5.779 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2cccs2)N(c2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000169370994 562864777 /nfs/dbraw/zinc/86/47/77/562864777.db2.gz LSSFVZDTEHZUEN-UFHPHHKVSA-N 0 0 532.687 7.059 1 10 KKCFRN COc1ccc([C@H](Nc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c(OC)c1OC ZINC000203772061 562874081 /nfs/dbraw/zinc/87/40/81/562874081.db2.gz OYGCVJIFXAIWEU-OAQYLSRUSA-N 0 0 500.382 6.178 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 ZINC000206914277 562876554 /nfs/dbraw/zinc/87/65/54/562876554.db2.gz NOQCGSHSQWSZGC-ZHIQAQTNSA-N 0 0 589.508 6.754 1 10 KKCFRN Cc1ccc(NC(=O)c2ccc(N=NN(C)CO)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000253655890 562882652 /nfs/dbraw/zinc/88/26/52/562882652.db2.gz MQKLAFRFDQSOSR-UHFFFAOYSA-N 0 0 536.518 5.742 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 ZINC000299824288 562883204 /nfs/dbraw/zinc/88/32/04/562883204.db2.gz HHJZHLLDRXPANZ-MUBPVYAGSA-N 0 0 598.309 6.900 1 10 KKCFRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)N(c3cccc(OC(C)=O)c3)C2=O)cc1 ZINC000299828143 562884337 /nfs/dbraw/zinc/88/43/37/562884337.db2.gz HJCQLJJEVCREFS-BPTDDQHESA-N 0 0 529.643 5.678 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000299829759 562884964 /nfs/dbraw/zinc/88/49/64/562884964.db2.gz VFHHNZUJLDLJDV-MHZLTWQESA-N 0 0 575.785 5.523 1 10 KKCFRN c1ccc(-n2nnnc2SCCOc2ccc3c(c2)CN2CN3Cc3cc(OCCSc4nnnn4-c4ccccc4)ccc32)cc1 ZINC000299831745 562885699 /nfs/dbraw/zinc/88/56/99/562885699.db2.gz RCDCFUYHUXJDQJ-UHFFFAOYSA-N 0 0 662.805 5.278 1 10 KKCFRN Cc1ccc(S(=O)(=O)N=NC=C2CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N3C2C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000377853485 562896551 /nfs/dbraw/zinc/89/65/51/562896551.db2.gz STIULHPFDYBJHO-UTKMADQBSA-N 0 0 686.837 6.257 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Br)cc1 ZINC000473118015 562899225 /nfs/dbraw/zinc/89/92/25/562899225.db2.gz JZDNGRPIYKFPEA-SZKYFQMISA-N 0 0 577.895 8.874 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473249942 562905185 /nfs/dbraw/zinc/90/51/85/562905185.db2.gz ZVQKRHUZMNOVLE-VUMGZPTDSA-N 0 0 600.733 6.731 1 10 KKCFRN CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC[C@@H](C(C)(C)C)CC4)ccc2C3=O)CC1 ZINC000474606169 562905354 /nfs/dbraw/zinc/90/53/54/562905354.db2.gz HOFJNVGEDCWCDQ-DNQXCXABSA-N 0 0 642.884 6.136 1 10 KKCFRN Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Nc3nccc(-c4ccc(C(F)(F)F)cc4)n3)ccc21 ZINC000653836227 562914697 /nfs/dbraw/zinc/91/46/97/562914697.db2.gz OEYIHBVDTVJSJG-OEAKJJBVSA-N 0 0 511.507 6.890 1 10 KKCFRN Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Nc3nccc(-c4ccc(Cl)cc4Cl)n3)ccc21 ZINC000653836210 562914718 /nfs/dbraw/zinc/91/47/18/562914718.db2.gz HHUHKGMXFBBNPB-WSDLNYQXSA-N 0 0 512.400 7.178 1 10 KKCFRN COc1ccc(N2CCN([C@@H]3CN(C(=O)Nc4cc(Cl)cc(Cl)c4)CC[C@H]3OC(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000653845356 562915165 /nfs/dbraw/zinc/91/51/65/562915165.db2.gz XFFFVEQRHIOEAE-KKLWWLSJSA-N 0 0 675.613 7.448 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)SC2=S)cc1 ZINC000653856989 562915786 /nfs/dbraw/zinc/91/57/86/562915786.db2.gz FROJHKHXJZYFHX-TXUMJUCDSA-N 0 0 515.616 5.375 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3O)SC2=S)cc1 ZINC000653899374 562917467 /nfs/dbraw/zinc/91/74/67/562917467.db2.gz KZWXOGUYTXOLSQ-HXCVMZKZSA-N 0 0 565.676 6.528 1 10 KKCFRN COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(c3ccnc(N)c3)CCC[C@H]2Cc2ccc[nH]2)cc(O)c1O ZINC000085625700 565158912 /nfs/dbraw/zinc/15/89/12/565158912.db2.gz COLFEEKKPNEQMD-LVXNPFPFSA-N 0 0 654.784 5.321 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)c(C)c(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)c1O ZINC000040165460 571760901 /nfs/dbraw/zinc/76/09/01/571760901.db2.gz ZQXNZNKHQXLVCV-QXVHJBQVSA-N 0 0 578.878 11.262 1 10 endogenous,in-man KKCFRN COc1c(O)c(C=O)c2c(O)c(-c3c(C)cc4c(c3O)c(C=O)c(O)c(O)c4C(C)C)c(C)cc2c1C(C)C ZINC000085529975 291963761 /nfs/dbraw/zinc/96/37/61/291963761.db2.gz QSEHQWFPCMNMPH-UHFFFAOYSA-N 0 0 532.589 6.685 1 10 biogenic,in-vitro KKCFRN O=C1CS[C@H](c2ccccc2O)N1c1nc2cc3sc(N4C(=O)CS[C@H]4c4ccccc4O)nc3cc2s1 ZINC000001657711 561678864 /nfs/dbraw/zinc/67/88/64/561678864.db2.gz LSMLQEZFWSGCQA-PSWAGMNNSA-N 0 0 578.722 5.874 1 10 KKCFRN COc1cc(/C=C2\N=C(c3ccccc3)N(c3cc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc(OC)c1OC ZINC000001660550 561679095 /nfs/dbraw/zinc/67/90/95/561679095.db2.gz LGKJCNWULDFVBS-YUMHPJSZSA-N 0 0 561.663 7.179 1 10 KKCFRN Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935903 561681116 /nfs/dbraw/zinc/68/11/16/561681116.db2.gz QCLDDWCFAWESIF-AUSIDOKSSA-N 0 0 548.206 5.759 1 10 KKCFRN Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935898 561681149 /nfs/dbraw/zinc/68/11/49/561681149.db2.gz SHWUOIMPXWMTID-XXBNENTESA-N 0 0 503.755 5.650 1 10 KKCFRN Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935908 561681275 /nfs/dbraw/zinc/68/12/75/561681275.db2.gz QCLDDWCFAWESIF-CVDCTZTESA-N 0 0 548.206 5.759 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000003930607 561687360 /nfs/dbraw/zinc/68/73/60/561687360.db2.gz VBXIEZVFKHTISY-HXIALRTDSA-N 0 0 670.765 5.212 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)c2cccc(C[NH+](C)C)c2)C(=O)[O-])cc1 ZINC000012358128 561710345 /nfs/dbraw/zinc/71/03/45/561710345.db2.gz XQLNYDBVDXBJPE-UUWRZZSWSA-N 0 0 603.719 6.672 1 10 KKCFRN CC1(CCCCn2cc(-c3ccccc3)cn2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000013755460 561727087 /nfs/dbraw/zinc/72/70/87/561727087.db2.gz YKGLVPDWUOQDJF-UHFFFAOYSA-N 0 0 518.661 7.529 1 10 KKCFRN Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c1 ZINC000015936213 561753297 /nfs/dbraw/zinc/75/32/97/561753297.db2.gz SENKXHWSXCDTNF-AREMUKBSSA-N 0 0 514.626 5.017 3 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@@H](c1ccccc1C)[C@@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000026166403 561769294 /nfs/dbraw/zinc/76/92/94/561769294.db2.gz SXZLYNGXPBMUFE-WNJJXGMVSA-N 0 0 504.074 5.290 1 10 KKCFRN CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000026844088 561826196 /nfs/dbraw/zinc/82/61/96/561826196.db2.gz CSVZXKBRHVOTGD-UHFFFAOYSA-N 0 0 508.600 6.370 1 10 KKCFRN CCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc32)c(OC)c1)S(C)(=O)=O ZINC000026847399 561826831 /nfs/dbraw/zinc/82/68/31/561826831.db2.gz NGIDONYXZJVNAK-UHFFFAOYSA-N 0 0 508.556 5.059 1 10 KKCFRN CCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O ZINC000026935268 561827413 /nfs/dbraw/zinc/82/74/13/561827413.db2.gz JDPJNXFFGAYLMT-UHFFFAOYSA-N 0 0 506.584 5.913 1 10 KKCFRN COc1cccc2c1nc1cc(Br)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000026937541 561827676 /nfs/dbraw/zinc/82/76/76/561827676.db2.gz XCSDVWYDMNGJTB-UHFFFAOYSA-N 0 0 502.390 5.283 1 10 KKCFRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000026969043 561830193 /nfs/dbraw/zinc/83/01/93/561830193.db2.gz SBHUFGJIRHZPLO-DIPNUNPCSA-N 0 0 509.675 5.899 1 10 KKCFRN CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(O)c(O)c2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027204390 561845733 /nfs/dbraw/zinc/84/57/33/561845733.db2.gz HYCLYWUJVPOOMJ-UQQQWYQISA-N 0 0 560.651 5.077 1 10 KKCFRN COc1ccc([C@]2(Cc3ccncc3)C(=O)c3ccc(OCc4ccncc4)cc3C2=O)cc1OC1CCCC1 ZINC000027417535 561857224 /nfs/dbraw/zinc/85/72/24/561857224.db2.gz GRNCQHVLSKITRO-MGBGTMOVSA-N 0 0 534.612 5.945 1 10 KKCFRN CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000027430293 561859233 /nfs/dbraw/zinc/85/92/33/561859233.db2.gz FJXVBJKNJLZYRC-HKBQPEDESA-N 0 0 548.772 6.083 1 10 KKCFRN Cc1nn(C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027985860 561892183 /nfs/dbraw/zinc/89/21/83/561892183.db2.gz KTVKQRSDDRMDQU-HKFHRXRESA-N 0 0 676.605 5.057 1 10 KKCFRN Cc1nn(C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027985850 561892237 /nfs/dbraw/zinc/89/22/37/561892237.db2.gz KTVKQRSDDRMDQU-KAODMTDESA-N 0 0 676.605 5.057 1 10 KKCFRN CCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027994704 561893613 /nfs/dbraw/zinc/89/36/13/561893613.db2.gz AOAKKNSKEKISTJ-NQVJXQQZSA-N 0 0 690.632 5.540 1 10 KKCFRN Cc1nn(C(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000028001297 561894812 /nfs/dbraw/zinc/89/48/12/561894812.db2.gz CSYHOJIMPTWHOW-KUFVUHJUSA-N 0 0 704.659 6.101 1 10 KKCFRN CC(C)(C)OC(=O)NCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000028642488 561943707 /nfs/dbraw/zinc/94/37/07/561943707.db2.gz SKZUYWCUKUTNPC-UHFFFAOYSA-N 0 0 516.682 7.249 1 10 KKCFRN CCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000028704608 561948768 /nfs/dbraw/zinc/94/87/68/561948768.db2.gz XGMYWIWNAMDEJW-HKBQPEDESA-N 0 0 601.747 7.442 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNc2ccccn2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704577 561948805 /nfs/dbraw/zinc/94/88/05/561948805.db2.gz CZEUGVSJKYVCFU-YTTGMZPUSA-N 0 0 608.742 8.033 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000028822656 561967445 /nfs/dbraw/zinc/96/74/45/561967445.db2.gz FNDHUKYBAOARSS-XMMPIXPASA-N 0 0 521.060 8.176 1 10 KKCFRN COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(-c2cc(Cl)ccc2F)cc1 ZINC000029125313 561997473 /nfs/dbraw/zinc/99/74/73/561997473.db2.gz TUOZPETXJLHSTG-CALCHBBNSA-N 0 0 504.027 5.142 1 10 KKCFRN Cc1csc(C(=O)c2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)c1 ZINC000029125621 561997854 /nfs/dbraw/zinc/99/78/54/561997854.db2.gz NCTPAZULGKKAQA-UHFFFAOYSA-N 0 0 508.647 5.794 1 10 KKCFRN COc1cc(C[C@H]2c3cc(O)c(O)cc3CCN2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000029316072 562012434 /nfs/dbraw/zinc/01/24/34/562012434.db2.gz NNDDTWYUXODCOR-NRFANRHFSA-N 0 0 504.410 5.773 1 10 KKCFRN CCN(CC)c1ccc([C@H]2SCC(=O)N2c2ccc(NC(=O)c3ccc(N4C(=O)CS[C@@H]4c4ccc(N(CC)CC)cc4)cc3)cc2)cc1 ZINC000029493251 562029359 /nfs/dbraw/zinc/02/93/59/562029359.db2.gz DPCFACMOQFGJRP-LJEWAXOPSA-N 0 0 693.939 8.189 1 10 KKCFRN COc1ccc(NC(=O)Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)cc1 ZINC000036338917 562057663 /nfs/dbraw/zinc/05/76/63/562057663.db2.gz AQTHIBWLFXHXGG-UHFFFAOYSA-N 0 0 548.647 5.846 1 10 KKCFRN CCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338925 562057707 /nfs/dbraw/zinc/05/77/07/562057707.db2.gz OCDRUSMBIZEVJV-UHFFFAOYSA-N 0 0 520.593 5.210 1 10 KKCFRN COc1cccc(NC(=O)Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)c1 ZINC000036338921 562057723 /nfs/dbraw/zinc/05/77/23/562057723.db2.gz BVTGDLXMUDNNBH-UHFFFAOYSA-N 0 0 548.647 5.846 1 10 KKCFRN NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000038146259 562065076 /nfs/dbraw/zinc/06/50/76/562065076.db2.gz XSEPUELKDITHGC-GDLZYMKVSA-N 0 0 550.659 5.483 3 10 KKCFRN C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040441877 562076987 /nfs/dbraw/zinc/07/69/87/562076987.db2.gz FQYQSAGLJZFKMU-AUQBTMSWSA-N 0 0 500.739 8.548 1 10 KKCFRN Cc1cc(NCC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040918411 562084371 /nfs/dbraw/zinc/08/43/71/562084371.db2.gz XVBXBIRGOPGSAC-HSZRJFAPSA-N 0 0 511.365 5.782 1 10 KKCFRN Cc1c(C)c(NS(=O)(=O)c2cccc(Cl)c2)c(C)c(C)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000040950922 562086045 /nfs/dbraw/zinc/08/60/45/562086045.db2.gz DYVZGPZJBBGAES-UHFFFAOYSA-N 0 0 513.468 5.829 1 10 KKCFRN CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)/C=C/c6ccc(O)c(O)c6)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000095909975 560059135 /nfs/dbraw/zinc/05/91/35/560059135.db2.gz YOFAJHKDASWQBG-DIVHEEHWSA-N 0 0 588.873 9.844 1 10 biogenic,in-vitro KKCFRN CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(OC3CCCCC3)c2)C1 ZINC000085597289 560062989 /nfs/dbraw/zinc/06/29/89/560062989.db2.gz MUKSKCVPYGBHTE-DURBRWELSA-N 0 0 568.707 7.011 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625530 560069326 /nfs/dbraw/zinc/06/93/26/560069326.db2.gz VJIAJYBZBYUTJJ-LEAFIULHSA-N 0 0 562.703 6.539 1 10 biogenic,in-vitro KKCFRN CN1CCc2cc(OCCOCCOc3cc4c5c(c3)-c3c(O)c(O)ccc3C[C@H]5N(C)CC4)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000044306425 562653705 /nfs/dbraw/zinc/65/37/05/562653705.db2.gz GJLNFWNMAQBYPC-LOYHVIPDSA-N 0 0 636.745 5.488 1 10 in-vivo KKCFRN COc1ccc(CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)OC(C)(C)C)cc1OC ZINC000044307600 562654043 /nfs/dbraw/zinc/65/40/43/562654043.db2.gz BOTUJSCWQNNVJO-MUUNZHRXSA-N 0 0 576.734 5.876 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419054 562657399 /nfs/dbraw/zinc/65/73/99/562657399.db2.gz BEIDKQKEZYWDLQ-ZHXGTJJLSA-N 0 0 535.442 6.383 1 10 KKCFRN COc1ccc(N2CCN(c3nc4ncn(C)c4c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1F ZINC000049109627 562664533 /nfs/dbraw/zinc/66/45/33/562664533.db2.gz FZOKSKODODBZQQ-UHFFFAOYSA-N 0 0 531.680 5.966 1 10 KKCFRN CCCCc1ncc(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000049710207 562671577 /nfs/dbraw/zinc/67/15/77/562671577.db2.gz PYNRTEKOEHJSAD-UHFFFAOYSA-N 0 0 552.635 5.208 1 10 KKCFRN O=C(Cc1ccccc1)Oc1c2oc3cc(O)c(O)cc3c2c(OC(=O)Cc2ccccc2)c(OC(=O)Cc2ccccc2)c1-c1ccc(O)cc1 ZINC000049780120 562681364 /nfs/dbraw/zinc/68/13/64/562681364.db2.gz JJDLGUWMMXXQOA-UHFFFAOYSA-N 0 0 694.692 7.814 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2CC(c3cc(C)cc(Br)c3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049793439 562684844 /nfs/dbraw/zinc/68/48/44/562684844.db2.gz XEMDKWBGKBXSNA-NRFANRHFSA-N 0 0 605.389 8.315 1 10 KKCFRN Cc1c(C)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049878475 562690607 /nfs/dbraw/zinc/69/06/07/562690607.db2.gz AHKWJFNRXIAYGM-UHFFFAOYSA-N 0 0 582.358 7.135 1 10 KKCFRN CNC(=O)c1cc(Nc2cc(C(C)(C)C)ccc2C)nc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)n1 ZINC000053175245 562696360 /nfs/dbraw/zinc/69/63/60/562696360.db2.gz JJULHJZMROVZKD-UHFFFAOYSA-N 0 0 516.690 5.300 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(I)c3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064514098 562706536 /nfs/dbraw/zinc/70/65/36/562706536.db2.gz XPVPYSHGMNYJDR-JAIQZWGSSA-N 0 0 596.318 6.366 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3ccc(I)cc3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064527527 562707008 /nfs/dbraw/zinc/70/70/08/562707008.db2.gz FZWUODHICMKMCQ-NDENLUEZSA-N 0 0 596.318 6.366 1 10 KKCFRN CC1(CCn2ncn(-c3ccc(N4CCN(c5ccc(OC[C@@H]6CO[C@@](Cn7cncn7)(c7ccc(Cl)cc7Cl)O6)cc5)CC4)cc3)c2=O)N=N1 ZINC000072125202 562725178 /nfs/dbraw/zinc/72/51/78/562725178.db2.gz BIXMTWNIVRLQPX-QTQRRKOQSA-N 0 0 731.645 5.178 1 10 KKCFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(c2cccc(O)c2O)Oc2cc(O)cc(O)c2C(=O)[C@@H]1O ZINC000072176396 562731604 /nfs/dbraw/zinc/73/16/04/562731604.db2.gz JAKJQYYMYOIRIK-RPGACVNKSA-N 0 0 508.611 6.150 1 10 KKCFRN CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000072179758 562732375 /nfs/dbraw/zinc/73/23/75/562732375.db2.gz UDDMXLGFVDCGOV-UHFFFAOYSA-N 0 0 596.753 6.084 1 10 KKCFRN Cc1c(C)c(-c2ccc(OCc3cn(CCCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)cc2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000084615757 562744533 /nfs/dbraw/zinc/74/45/33/562744533.db2.gz WPVFVPRCILRHRE-QOVAEWSBSA-N 0 0 728.916 6.327 1 10 KKCFRN CN1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084670863 562748400 /nfs/dbraw/zinc/74/84/00/562748400.db2.gz JZBZWDGLSQNFON-JOMNFKBKSA-N 0 0 502.545 5.160 1 10 KKCFRN COc1c(O)c2c(=O)c3c(CC=C(C)C)c(CC=C(C)C)c(O)c(O)c3oc2c(CC=C(C)C)c1OC ZINC000084690339 562749567 /nfs/dbraw/zinc/74/95/67/562749567.db2.gz IQNPUQHPYVLXPC-UHFFFAOYSA-N 0 0 508.611 6.606 1 10 KKCFRN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCNc1c3ccccc3nc3cccc([N+](=O)[O-])c31)C(=O)OC2 ZINC000084704851 562749844 /nfs/dbraw/zinc/74/98/44/562749844.db2.gz NXPZNQFAJBEBLH-WOJGMQOQSA-N 0 0 584.629 5.487 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000084722658 562751032 /nfs/dbraw/zinc/75/10/32/562751032.db2.gz BFTPCTVQZUQVHT-UHFFFAOYSA-N 0 0 646.787 8.950 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084758890 562752753 /nfs/dbraw/zinc/75/27/53/562752753.db2.gz IJBBMBQGXYOQHJ-IBGZPJMESA-N 0 0 600.620 5.015 1 10 KKCFRN COc1cc(/C=C2\SC(=S)N(CCNc3ccnc4cc(Cl)ccc43)C2=O)cc(OC)c1OC ZINC000095587679 562774425 /nfs/dbraw/zinc/77/44/25/562774425.db2.gz XXFWELDTVKKGHM-MTJSOVHGSA-N 0 0 516.044 5.227 1 10 KKCFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O ZINC000095599844 562778406 /nfs/dbraw/zinc/77/84/06/562778406.db2.gz UBYZDEGPUXBRQE-FMALNZMYSA-N 0 0 604.792 5.865 1 10 KKCFRN CCOC(=O)C1=CC[C@@H](c2ccc(N(CC)CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095603057 562780372 /nfs/dbraw/zinc/78/03/72/562780372.db2.gz NRQRKHUSOKASMQ-KYJUHHDHSA-N 0 0 577.703 6.116 3 10 KKCFRN COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OS(=O)(=O)c4cccc5cnccc54)cc3)N(C)S(=O)(=O)c3cccc4cnccc43)CC2)cc1 ZINC000095608625 562783618 /nfs/dbraw/zinc/78/36/18/562783618.db2.gz XSRFYANYQOKBJT-BHVANESWSA-N 0 0 751.887 5.140 1 10 KKCFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613591 562786407 /nfs/dbraw/zinc/78/64/07/562786407.db2.gz YWAAYMYTJPPBMD-BKGSQKCLSA-N 0 0 768.991 8.052 1 10 KKCFRN CC(C)COCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096270787 562793384 /nfs/dbraw/zinc/79/33/84/562793384.db2.gz ATNLLYCUBYIKDJ-UHFFFAOYSA-N 0 0 555.057 5.560 1 10 KKCFRN CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(F)cc1 ZINC000096901583 562797151 /nfs/dbraw/zinc/79/71/51/562797151.db2.gz WKEQVKCATKZQJL-RUZDIDTESA-N 0 0 501.997 6.714 1 10 KKCFRN CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(Br)cc1 ZINC000096915654 562800995 /nfs/dbraw/zinc/80/09/95/562800995.db2.gz CGQHZLFKXBSFLE-RUZDIDTESA-N 0 0 562.903 7.337 1 10 KKCFRN COc1ccc([C@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc1OC ZINC000096915645 562801009 /nfs/dbraw/zinc/80/10/09/562801009.db2.gz XJFDXIVUPFOLIW-MHZLTWQESA-N 0 0 544.059 6.592 1 10 KKCFRN COc1ccc([C@@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc1OC ZINC000096915644 562801019 /nfs/dbraw/zinc/80/10/19/562801019.db2.gz XJFDXIVUPFOLIW-HHHXNRCGSA-N 0 0 544.059 6.592 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(Cl)c(F)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000096922250 562801713 /nfs/dbraw/zinc/80/17/13/562801713.db2.gz PNYXYOCRLJKHBD-HKBQPEDESA-N 0 0 805.208 8.284 1 10 KKCFRN COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CS[C@H]3c3ccccc3Cl)cn4C3CC3)CC2)cc1 ZINC000098083287 562805411 /nfs/dbraw/zinc/80/54/11/562805411.db2.gz BLTIBOSXTORIAC-XIFFEERXSA-N 0 0 648.160 5.383 1 10 KKCFRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000098083925 562805546 /nfs/dbraw/zinc/80/55/46/562805546.db2.gz KOJSVHMBEKXPTC-HKBQPEDESA-N 0 0 527.628 5.752 1 10 KKCFRN O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102963919 562813733 /nfs/dbraw/zinc/81/37/33/562813733.db2.gz WEJWNZITXCLTGL-WUFINQPMSA-N 0 0 560.565 5.428 1 10 KKCFRN COc1ccc([C@@H]2CC(c3cc4cc(O)ccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000103174930 562815052 /nfs/dbraw/zinc/81/50/52/562815052.db2.gz BVRMAKYXRZRXGV-NDEPHWFRSA-N 0 0 583.604 6.282 1 10 KKCFRN COc1ccc(/C=C2/SC(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000103183846 562815297 /nfs/dbraw/zinc/81/52/97/562815297.db2.gz OHSGYVAEAZAKRK-NHMXVPMISA-N 0 0 508.430 6.824 1 10 KKCFRN COc1ccccc1/C=C1/SC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)=NC1=O ZINC000103183840 562815313 /nfs/dbraw/zinc/81/53/13/562815313.db2.gz IKHLWZYHBBYMAE-YQNSVDCASA-N 0 0 508.430 6.824 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000103210383 562816664 /nfs/dbraw/zinc/81/66/64/562816664.db2.gz AKZQQDOPLDZECG-NVQSTNCTSA-N 0 0 529.984 7.090 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc(Cl)cc2)cc1 ZINC000103220144 562817405 /nfs/dbraw/zinc/81/74/05/562817405.db2.gz KKMXMQBPQWUEBI-QNEJGDQOSA-N 0 0 519.432 7.836 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000103221332 562817472 /nfs/dbraw/zinc/81/74/72/562817472.db2.gz ISQQMJSFFFCCQD-QNEJGDQOSA-N 0 0 564.429 7.744 1 10 KKCFRN O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3O)n(Cc3cc(Br)ccc3O)c2c1 ZINC000103256015 562820781 /nfs/dbraw/zinc/82/07/81/562820781.db2.gz FAYVDJDMYLGDEB-UHFFFAOYSA-N 0 0 519.149 5.596 1 10 KKCFRN O=C(Sc1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000103265437 562822113 /nfs/dbraw/zinc/82/21/13/562822113.db2.gz RICVUWQNYMUZAF-UHFFFAOYSA-N 0 0 520.410 6.308 1 10 KKCFRN O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccccc2O)C1 ZINC000150573926 562845194 /nfs/dbraw/zinc/84/51/94/562845194.db2.gz MHUNNBGORSGZME-AREMUKBSSA-N 0 0 628.474 5.633 1 10 KKCFRN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2c3c(C)nn(-c4ccccc4)c3OC3=C2C(=O)N[C@@](C)(c2cc(Cl)ccc2O)N3)cc1 ZINC000150582818 562845620 /nfs/dbraw/zinc/84/56/20/562845620.db2.gz IBHLSBQRYPPZFM-FOEBFOTMSA-N 0 0 671.157 6.729 1 10 KKCFRN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(N(C)C)cc4)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585574 562845791 /nfs/dbraw/zinc/84/57/91/562845791.db2.gz YOFVXIZTTAUVDI-SYBMPHCTSA-N 0 0 679.802 7.093 1 10 KKCFRN CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCOCCOCCOCCOCc3ccc(-c4cc(=O)c5c(ccc6ccccc65)o4)cc3)cc2)cc1 ZINC000150587660 562845927 /nfs/dbraw/zinc/84/59/27/562845927.db2.gz KYXATDXLEUXMDN-XVIFHXHVSA-N 0 0 728.846 8.091 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cccc3C)C2=O)cc1F ZINC000150605234 562847748 /nfs/dbraw/zinc/84/77/48/562847748.db2.gz QKLVIKMIZOEFFF-HPNDGRJYSA-N 0 0 667.738 6.625 1 10 KKCFRN COc1ccc2c(c1)nc1cc([N+](=O)[O-])ccc1c2NCCCCCCCCNc1c2ccc(OC)cc2nc2cc([N+](=O)[O-])ccc21 ZINC000150632988 562848986 /nfs/dbraw/zinc/84/89/86/562848986.db2.gz WDUCNLAMAXFAMO-UHFFFAOYSA-N 0 0 648.720 8.788 1 10 KKCFRN COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c2cc1C ZINC000169310846 562854995 /nfs/dbraw/zinc/85/49/95/562854995.db2.gz WFKHTLRJLHJPMV-XDHOZWIPSA-N 0 0 553.442 6.832 1 10 KKCFRN COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c2cc1C ZINC000169310843 562855017 /nfs/dbraw/zinc/85/50/17/562855017.db2.gz GCUBBTKMPCAGAD-CIAFOILYSA-N 0 0 553.442 6.832 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326997 562857963 /nfs/dbraw/zinc/85/79/63/562857963.db2.gz SSNINDYYVBJJML-OLRZCDJHSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327016 562857969 /nfs/dbraw/zinc/85/79/69/562857969.db2.gz VSKJILPZORNUII-ADKRDUOOSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327013 562857978 /nfs/dbraw/zinc/85/79/78/562857978.db2.gz VSKJILPZORNUII-SFNQZPIRSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc21 ZINC000169327048 562858011 /nfs/dbraw/zinc/85/80/11/562858011.db2.gz IFYHDNAFNWCGPV-WHUARKNTSA-N 0 0 587.565 6.169 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169330536 562858751 /nfs/dbraw/zinc/85/87/51/562858751.db2.gz KEHCILKMVOAYSU-MHZLTWQESA-N 0 0 602.374 5.390 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169331316 562858908 /nfs/dbraw/zinc/85/89/08/562858908.db2.gz OHUJZFSAWSADST-HHHXNRCGSA-N 0 0 557.923 5.281 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331340 562858946 /nfs/dbraw/zinc/85/89/46/562858946.db2.gz NZLYSILZGOBHTK-WVDZOPJMSA-N 0 0 616.401 5.779 1 10 KKCFRN COc1cc([C@H](Nc2nc3c(cccc3Cl)s2)c2c(O)ccc3ccccc32)cc(OC)c1OC ZINC000169352039 562863061 /nfs/dbraw/zinc/86/30/61/562863061.db2.gz ZYSZVKSFJNBQNT-DEOSSOPVSA-N 0 0 507.011 7.036 1 10 KKCFRN Nc1ccc(N2CCN(c3ccc4[nH]c(-c5ccc6[nH]c(-c7ccc(O)cc7)nc6c5)nc4c3)CC2)cc1 ZINC000169352528 562863096 /nfs/dbraw/zinc/86/30/96/562863096.db2.gz XWVDVIUGDKSEQM-UHFFFAOYSA-N 0 0 501.594 5.388 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2cccc(Cl)c2)S1 ZINC000206925181 562876612 /nfs/dbraw/zinc/87/66/12/562876612.db2.gz BUNHDCYYULSTKS-ZHIQAQTNSA-N 0 0 589.508 6.754 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 ZINC000299824296 562883258 /nfs/dbraw/zinc/88/32/58/562883258.db2.gz HHJZHLLDRXPANZ-XSSWQJIQSA-N 0 0 598.309 6.900 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(c4cccc(OC(C)=O)c4)C3=O)[C@H](c3ccccc3O)C2)cc1 ZINC000299830260 562885178 /nfs/dbraw/zinc/88/51/78/562885178.db2.gz MEQISZCJKMGKAP-XPRKOMQSSA-N 0 0 545.642 5.384 1 10 KKCFRN Cc1ccc(S(=O)(=O)N=NC=C2CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N3C2C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000377853483 562896565 /nfs/dbraw/zinc/89/65/65/562896565.db2.gz STIULHPFDYBJHO-FTAKYUGPSA-N 0 0 686.837 6.257 1 10 KKCFRN CCCCCCN(C)c1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473092269 562897723 /nfs/dbraw/zinc/89/77/23/562897723.db2.gz RZVYXFRTYHKSFN-WJOKGBTCSA-N 0 0 543.752 6.179 1 10 KKCFRN Cc1ccc(N=NC2=C(C)NN=C(N3Nc4onc(-c5ccccc5)c4[C@@H]3c3ccc(Cl)cc3)N2)cc1 ZINC000473111614 562898632 /nfs/dbraw/zinc/89/86/32/562898632.db2.gz ASZPMAVPQJWMRR-FNAYKNIHSA-N 0 0 510.989 6.472 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)N=C2c2ccccc2)c1 ZINC000473113276 562898792 /nfs/dbraw/zinc/89/87/92/562898792.db2.gz IHUXBTPTPDXDMS-CEUNXORHSA-N 0 0 517.585 5.856 1 10 KKCFRN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]CC5CCOCC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000473119275 562899301 /nfs/dbraw/zinc/89/93/01/562899301.db2.gz AKDQEXCEINVNBV-DFVROAMOSA-N 0 0 824.965 5.270 1 10 KKCFRN Cc1nn2c(cccc2C)c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136352 562901050 /nfs/dbraw/zinc/90/10/50/562901050.db2.gz QFHZNDHOVQJLSO-UHFFFAOYSA-N 0 0 522.571 6.164 1 10 KKCFRN Cc1nn2ccc(C(F)(F)F)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136344 562901060 /nfs/dbraw/zinc/90/10/60/562901060.db2.gz QBHCXRYDYKLKKQ-UHFFFAOYSA-N 0 0 576.541 6.874 1 10 KKCFRN Cc1nn2ccc(-c3ccccc3)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136704 562901063 /nfs/dbraw/zinc/90/10/63/562901063.db2.gz UJCOSSAKIUTVGY-UHFFFAOYSA-N 0 0 584.642 7.522 1 10 KKCFRN Cc1nn2cc(C)ccc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473137658 562901212 /nfs/dbraw/zinc/90/12/12/562901212.db2.gz ZAQVYLDTAKHKID-UHFFFAOYSA-N 0 0 522.571 6.164 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473249941 562905192 /nfs/dbraw/zinc/90/51/92/562905192.db2.gz ZVQKRHUZMNOVLE-GPMZVODXSA-N 0 0 600.733 6.731 1 10 KKCFRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn21 ZINC000653821700 562914142 /nfs/dbraw/zinc/91/41/42/562914142.db2.gz STNBZWHSOZYEEV-UHFFFAOYSA-N 0 0 534.710 6.852 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653835839 562914701 /nfs/dbraw/zinc/91/47/01/562914701.db2.gz DSUBUDBDRUEAAT-UXPBPJRISA-N 0 0 638.596 6.306 1 10 KKCFRN O=C1/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000653856971 562915736 /nfs/dbraw/zinc/91/57/36/562915736.db2.gz BQDNUVTWOFGUPK-XUVWKZFSSA-N 0 0 525.577 6.468 1 10 KKCFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2/C=C2\SC(=S)N(c3ccc(OC(C)=O)cc3)C2=O)cc1 ZINC000653899376 562917504 /nfs/dbraw/zinc/91/75/04/562917504.db2.gz LCOKHWVYKRQRDE-FPKQDGKISA-N 0 0 579.703 6.831 1 10 KKCFRN CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@H]3CCC[C@H](CO)C3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597241 565157193 /nfs/dbraw/zinc/15/71/93/565157193.db2.gz GIHTVJIYRWXTQW-HEWFIYKNSA-N 0 0 621.727 5.534 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625748 565159082 /nfs/dbraw/zinc/15/90/82/565159082.db2.gz DSZPZFVTDPMBIH-UOSBZTQKSA-N 0 0 692.809 7.442 1 10 biogenic,in-vitro KKCFRN Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934358 561681195 /nfs/dbraw/zinc/68/11/95/561681195.db2.gz UDFHQOOPLNZWLW-WMZHIEFXSA-N 0 0 530.216 5.620 1 10 KKCFRN CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000003922111 561685893 /nfs/dbraw/zinc/68/58/93/561685893.db2.gz FAMHJXWXXPLHGU-UMSFTDKQSA-N 0 0 588.837 7.030 1 10 KKCFRN O=C1CS[C@@H](c2ccccc2O)N1c1ccc(-c2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000006006344 561701497 /nfs/dbraw/zinc/70/14/97/561701497.db2.gz TYHGMDHBJYGUHH-DHUJRADRSA-N 0 0 567.670 7.204 1 10 KKCFRN COc1cc(C(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc(OC)c1OC ZINC000008583612 561705843 /nfs/dbraw/zinc/70/58/43/561705843.db2.gz LTFXUXXCVRHFDC-QFIPXVFZSA-N 0 0 513.377 5.792 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2cccc(C[NH+](C)C)c2)C(=O)[O-])cc1 ZINC000012358127 561710286 /nfs/dbraw/zinc/71/02/86/561710286.db2.gz XQLNYDBVDXBJPE-UMSFTDKQSA-N 0 0 603.719 6.672 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccc(C[NH+](C)C)cc2)C(=O)[O-])cc1 ZINC000012358123 561710308 /nfs/dbraw/zinc/71/03/08/561710308.db2.gz KQBFGNMCYBISJJ-UMSFTDKQSA-N 0 0 603.719 6.672 1 10 KKCFRN COc1cc(C=C2N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)ccc1O ZINC000013005058 561711271 /nfs/dbraw/zinc/71/12/71/561711271.db2.gz VTONFJQVTRIKAX-XYGWBWBKSA-N 0 0 518.598 6.263 1 10 KKCFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)c2ccc(Br)cc21 ZINC000013735336 561725530 /nfs/dbraw/zinc/72/55/30/561725530.db2.gz IMLMOGQQRXANHI-RUZDIDTESA-N 0 0 505.456 7.057 1 10 KKCFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2C(=O)N(C)c2ccc(Br)cc21 ZINC000013735339 561725556 /nfs/dbraw/zinc/72/55/56/561725556.db2.gz IMLMOGQQRXANHI-VWLOTQADSA-N 0 0 505.456 7.057 1 10 KKCFRN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc43)cc2)cc1 ZINC000026845049 561826400 /nfs/dbraw/zinc/82/64/00/561826400.db2.gz QHRKVZBTLUKNEP-UHFFFAOYSA-N 0 0 527.562 5.200 1 10 KKCFRN N=C(N)Nc1cccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc43)cc2)c1 ZINC000026846590 561826629 /nfs/dbraw/zinc/82/66/29/561826629.db2.gz IEZARPDGJUMXIH-UHFFFAOYSA-N 0 0 527.566 5.146 1 10 KKCFRN CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999054 561894436 /nfs/dbraw/zinc/89/44/36/561894436.db2.gz DLECPBFJNXSKOV-BNHMMOKISA-N 0 0 704.659 5.930 1 10 KKCFRN CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999657 561894453 /nfs/dbraw/zinc/89/44/53/561894453.db2.gz QQHTYTFQFLVPDM-CYEXUTLASA-N 0 0 690.632 5.792 1 10 KKCFRN Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc3c(c2)C(=O)c2ccccc2C3=O)[nH]c1=O ZINC000028529399 561933948 /nfs/dbraw/zinc/93/39/48/561933948.db2.gz XQHVUJMMWLRKNK-UHFFFAOYSA-N 0 0 521.425 6.044 1 10 KKCFRN CCCCOP(=O)(CCCCC1(C(=O)NCc2ccc(N)cc2)c2ccccc2-c2ccccc21)OCCCC ZINC000028764761 561959280 /nfs/dbraw/zinc/95/92/80/561959280.db2.gz FXAZXQCCNDKGKK-UHFFFAOYSA-N 0 0 562.691 7.849 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)NCc2cccnc2)c1 ZINC000028822650 561967413 /nfs/dbraw/zinc/96/74/13/561967413.db2.gz HHGQQDNFNJHKLQ-UHFFFAOYSA-N 0 0 508.021 7.010 1 10 KKCFRN O=C1NC(=S)S[C@@H]1Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccc(Cl)cc1 ZINC000028822904 561967616 /nfs/dbraw/zinc/96/76/16/561967616.db2.gz DYWQXVSHQBNSSU-MRXNPFEDSA-N 0 0 514.019 5.896 1 10 KKCFRN Cc1c([C@@H](Oc2cccc(Cl)c2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000029394481 562018204 /nfs/dbraw/zinc/01/82/04/562018204.db2.gz ICWULWVOGVGCFX-RUZDIDTESA-N 0 0 537.962 7.331 1 10 KKCFRN COc1ccccc1NC(=O)Nc1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338922 562057669 /nfs/dbraw/zinc/05/76/69/562057669.db2.gz UAJUZPQVPTWLDW-UHFFFAOYSA-N 0 0 548.647 5.846 1 10 KKCFRN NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc21)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000038146260 562065106 /nfs/dbraw/zinc/06/51/06/562065106.db2.gz XSEPUELKDITHGC-LJAQVGFWSA-N 0 0 550.659 5.483 3 10 KKCFRN COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2O)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000038377669 562071628 /nfs/dbraw/zinc/07/16/28/562071628.db2.gz ZMHHWPQWCVSKMV-VWLOTQADSA-N 0 0 655.316 5.697 1 10 KKCFRN CC(C)c1cc(C(C)C)c(C(=O)OC[C@]2(CO)C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c(C(C)C)c1 ZINC000040874324 562081922 /nfs/dbraw/zinc/08/19/22/562081922.db2.gz DHLPIBQSLUSDLI-JHBYXVTHSA-N 0 0 507.671 6.041 1 10 KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccccc3)CC2=O)c(O)c(OC)c1)OC(C)=O ZINC000085627644 560068797 /nfs/dbraw/zinc/06/87/97/560068797.db2.gz ZGYXRTOIPQFEPB-RZDMPUFOSA-N 0 0 525.686 5.188 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CCCC2=O)c(O)c2c1C=C[C@@H]1CCC[C@@H]1O2)OC(C)=O ZINC000085627601 560068798 /nfs/dbraw/zinc/06/87/98/560068798.db2.gz UYFAQSYZSICXOJ-CIMCOABOSA-N 0 0 513.675 5.285 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCCc3ccccc3)c2)ccc1O ZINC000085625572 560069342 /nfs/dbraw/zinc/06/93/42/560069342.db2.gz LEISVEAEAWGIEZ-QCENPCRXSA-N 0 0 584.709 6.493 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625497 560069357 /nfs/dbraw/zinc/06/93/57/560069357.db2.gz RAUHELANYQPNPG-FREGXXQWSA-N 0 0 586.681 6.156 1 10 biogenic,in-vitro KKCFRN O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccc(Br)cc1 ZINC000044359815 562655527 /nfs/dbraw/zinc/65/55/27/562655527.db2.gz SHDQBIMJCXCGKC-JAIQZWGSSA-N 0 0 547.883 5.880 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000044418630 562657342 /nfs/dbraw/zinc/65/73/42/562657342.db2.gz JKNRDZFBYLLNGC-CQTOTRCISA-N 0 0 534.656 7.326 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418944 562657384 /nfs/dbraw/zinc/65/73/84/562657384.db2.gz YDKYBTAVXJESJH-OUUPHGMSSA-N 0 0 535.442 6.383 1 10 KKCFRN COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1[C@H](O)c1nccs1 ZINC000049650285 562668057 /nfs/dbraw/zinc/66/80/57/562668057.db2.gz KZPAICMPSMYEOG-UMSFTDKQSA-N 0 0 634.758 6.668 1 10 KKCFRN CN(C)c1ccc(/C=C2\OC(=O)C=C2CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1 ZINC000049762767 562676714 /nfs/dbraw/zinc/67/67/14/562676714.db2.gz HNZUNHPXKQCSTQ-YKQZZPSBSA-N 0 0 538.091 6.322 1 10 KKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@@]2(C)COC(=O)COCCOC(=O)COc1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000049778205 562681024 /nfs/dbraw/zinc/68/10/24/562681024.db2.gz RXEANRCXCKRILV-HKBQPEDESA-N 0 0 654.594 5.591 1 10 KKCFRN O=S(=O)(Nc1c(F)c(F)c(NS(=O)(=O)c2ccc(Br)cc2)c(F)c1F)c1ccc(Br)cc1 ZINC000049877771 562690266 /nfs/dbraw/zinc/69/02/66/562690266.db2.gz YZTQGNIUSLWPEW-UHFFFAOYSA-N 0 0 618.222 5.370 1 10 KKCFRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5cc(NCc6cc(O)ccc6O)ccc5O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058507483 562698383 /nfs/dbraw/zinc/69/83/83/562698383.db2.gz XUEQAXLAXOVJAT-BNVNYWOYSA-N 0 0 644.941 9.635 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc(O)c(O)c2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058583474 562700129 /nfs/dbraw/zinc/70/01/29/562700129.db2.gz CJLDWJHJGPSPGQ-UHFFFAOYSA-N 0 0 708.807 9.401 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc([S@](C)=O)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058592220 562700527 /nfs/dbraw/zinc/70/05/27/562700527.db2.gz VIIPAODEWOVOHT-AXAMJWTMSA-N 0 0 738.902 9.727 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1OCc1cccc(Cl)c1F ZINC000064503829 562706086 /nfs/dbraw/zinc/70/60/86/562706086.db2.gz KOMMTFLORHSSQY-ZDLGFXPLSA-N 0 0 583.763 7.178 1 10 KKCFRN CCC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OC)c(OCc2ccc(F)cc2)c1 ZINC000064746223 562709145 /nfs/dbraw/zinc/70/91/45/562709145.db2.gz QDKJOUWNQCQJQE-XKZIYDEJSA-N 0 0 509.375 6.372 1 10 KKCFRN CCCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072141183 562729293 /nfs/dbraw/zinc/72/92/93/562729293.db2.gz MWYSUTIXQIIVMS-BNHMMOKISA-N 0 0 719.674 5.797 1 10 KKCFRN Cc1cc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCC[NH+](C)C)ccc(Cl)c43)cc2)no1 ZINC000073258357 562737097 /nfs/dbraw/zinc/73/70/97/562737097.db2.gz GZGVCWYDKIBYBG-UHFFFAOYSA-N 0 0 579.082 5.174 1 10 KKCFRN COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/c5cccs5)N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082186456 562742461 /nfs/dbraw/zinc/74/24/61/562742461.db2.gz SXXUJRSHCWDCNL-XYGWBWBKSA-N 0 0 633.176 7.169 1 10 KKCFRN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc43)cc2)n1 ZINC000082190807 562742629 /nfs/dbraw/zinc/74/26/29/562742629.db2.gz DCBWYWAFMKJOMT-UHFFFAOYSA-N 0 0 653.746 5.239 1 10 KKCFRN CN(C)c1ccc([C@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@@H]5c5ccc(N(C)C)cc5)nc4cc3s2)cc1 ZINC000082195553 562742754 /nfs/dbraw/zinc/74/27/54/562742754.db2.gz AEFVIBMEMPNIPL-VSGBNLITSA-N 0 0 632.862 6.595 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@H](c1ccc(Cl)cc1)[C@@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000084462359 562743097 /nfs/dbraw/zinc/74/30/97/562743097.db2.gz JCHBJPWKVVPENR-NAKRPHOHSA-N 0 0 524.492 5.635 1 10 KKCFRN O=C(NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(=O)c2cc(O)c([O-])cc2o1 ZINC000084619167 562745195 /nfs/dbraw/zinc/74/51/95/562745195.db2.gz YMRPMJKWTYJBPC-UHFFFAOYSA-N 0 0 557.691 6.594 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652143 562746461 /nfs/dbraw/zinc/74/64/61/562746461.db2.gz WPPUUICWCBVSNR-QHCPKHFHSA-N 0 0 688.726 5.048 1 10 KKCFRN Cc1ccc(S(=O)(=O)NCCCCCCCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000084687264 562748841 /nfs/dbraw/zinc/74/88/41/562748841.db2.gz HJTFWKPRYMVOSC-UHFFFAOYSA-N 0 0 584.782 7.401 1 10 KKCFRN Cc1ccc(S(=O)(=O)NCCCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000084688451 562749189 /nfs/dbraw/zinc/74/91/89/562749189.db2.gz IJHJCSMHNCUBDG-UHFFFAOYSA-N 0 0 528.674 5.840 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)C(=C3C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000095554792 562761378 /nfs/dbraw/zinc/76/13/78/562761378.db2.gz GKRDUCWCNLCJNF-BJAIWJEPSA-N 0 0 572.488 6.309 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc4oc5ccccc5c4c3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095562720 562763769 /nfs/dbraw/zinc/76/37/69/562763769.db2.gz OHAOOQJCDBNOLT-UHFFFAOYSA-N 0 0 594.114 9.767 1 10 KKCFRN O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000095578576 562771305 /nfs/dbraw/zinc/77/13/05/562771305.db2.gz SYMRBWZZAMFPMN-UHFFFAOYSA-N 0 0 553.706 6.610 1 10 KKCFRN COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCN(CCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095610361 562784325 /nfs/dbraw/zinc/78/43/25/562784325.db2.gz ZWRAEBIKHPBAAY-QHCPKHFHSA-N 0 0 757.719 8.679 1 10 KKCFRN COc1ccc(NC2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3Cl)S2)c(OC)c1 ZINC000096906249 562798712 /nfs/dbraw/zinc/79/87/12/562798712.db2.gz SEKDBIXGZVAYFP-OYKKKHCWSA-N 0 0 517.010 6.292 1 10 KKCFRN COc1ccc([C@@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096915642 562801002 /nfs/dbraw/zinc/80/10/02/562801002.db2.gz DTQCOGRYBRJIJE-AREMUKBSSA-N 0 0 514.033 6.583 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1cc(F)ccc1Br ZINC000096922253 562801747 /nfs/dbraw/zinc/80/17/47/562801747.db2.gz ODYSNHNPXSWSRI-LJAQVGFWSA-N 0 0 801.643 7.773 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(Cl)c(F)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000096922244 562801751 /nfs/dbraw/zinc/80/17/51/562801751.db2.gz WAAUCDPRJLOMFH-XIFFEERXSA-N 0 0 804.220 8.889 1 10 KKCFRN CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccc(F)cc5F)n(-c5cc(F)ccc5Br)c4C)CC3)c(F)c2)C(=O)O1 ZINC000096922248 562801759 /nfs/dbraw/zinc/80/17/59/562801759.db2.gz GWFGVZWQCNQKHY-SANMLTNESA-N 0 0 714.558 6.555 1 10 KKCFRN CO[C@@]12C(=C(c3ccccc3)C1c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934692 562803949 /nfs/dbraw/zinc/80/39/49/562803949.db2.gz GNUJEUMWYJVRKO-ZORMNXRFSA-N 0 0 533.580 6.554 1 10 KKCFRN Cc1ccc(S(=O)(=O)Oc2ccc(NCc3ccc(Cl)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096938919 562804606 /nfs/dbraw/zinc/80/46/06/562804606.db2.gz OXVYDTTZLHYWNT-UHFFFAOYSA-N 0 0 517.990 5.804 1 10 KKCFRN Cc1ccc(-n2c(=O)c3c([nH]c2=S)NC(=O)N(N=Nc2ccc(Cl)cc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000101010613 562808667 /nfs/dbraw/zinc/80/86/67/562808667.db2.gz FFCPMFFIMBCOPK-LCYJPPDJSA-N 0 0 537.432 7.146 1 10 KKCFRN CN(C)c1ccc([C@H]2SCC(=O)N2CCCNc2c3c4ccccc4nc-3n(C)c3ccccc32)cc1 ZINC000103082658 562814259 /nfs/dbraw/zinc/81/42/59/562814259.db2.gz QYNMQLKPYQPNNK-SSEXGKCCSA-N 0 0 509.679 5.974 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1 ZINC000103183834 562815286 /nfs/dbraw/zinc/81/52/86/562815286.db2.gz NXERWHOBSPGHIQ-XMHVBLFMSA-N 0 0 512.849 7.468 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000103187690 562815497 /nfs/dbraw/zinc/81/54/97/562815497.db2.gz QMEUHESHMNPMJK-IGPUNGKJSA-N 0 0 523.401 6.723 1 10 KKCFRN O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1)[n+]1[n-]c(=S)sc1-c1cccc([N+](=O)[O-])c1 ZINC000103201704 562816112 /nfs/dbraw/zinc/81/61/12/562816112.db2.gz QXQCQUVVBPDJDH-UHFFFAOYSA-O 0 0 563.644 6.337 1 10 KKCFRN O=C(c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1)[n+]1[n-]c(=S)sc1-c1cc([N+](=O)[O-])ccc1Cl ZINC000103204133 562816307 /nfs/dbraw/zinc/81/63/07/562816307.db2.gz FUKHDOAGYMHESG-UHFFFAOYSA-O 0 0 599.073 6.003 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cccc(Cl)c2)cc1 ZINC000103210471 562816660 /nfs/dbraw/zinc/81/66/60/562816660.db2.gz IKODXMWJSDUNSW-QNEJGDQOSA-N 0 0 519.432 7.836 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000103210291 562816662 /nfs/dbraw/zinc/81/66/62/562816662.db2.gz SDHBIAUFTVKUFX-QNEJGDQOSA-N 0 0 564.429 7.744 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Br ZINC000103236059 562818828 /nfs/dbraw/zinc/81/88/28/562818828.db2.gz BZQYJYBVVMPXAL-SANMLTNESA-N 0 0 588.347 5.330 1 10 KKCFRN COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c1O ZINC000103266566 562822307 /nfs/dbraw/zinc/82/23/07/562822307.db2.gz JRVFMYCYGBPQMM-UHFFFAOYSA-N 0 0 567.708 5.928 1 10 KKCFRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1cccc2S(=O)(=O)Nc1ccc(Br)cc1 ZINC000103274654 562823155 /nfs/dbraw/zinc/82/31/55/562823155.db2.gz XQNRJMBAAHCVKR-RIYZIHGNSA-N 0 0 539.407 5.466 1 10 KKCFRN C[C@@H]1S[C@@H](c2ccccc2O)N(c2ccc(CCc3ccc(N4C(=O)[C@H](C)S[C@H]4c4ccccc4O)cc3)cc2)C1=O ZINC000103280802 562823517 /nfs/dbraw/zinc/82/35/17/562823517.db2.gz GZBJBBMWADKETE-OEZRKNEGSA-N 0 0 596.774 7.217 1 10 KKCFRN CC(=O)Nc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 ZINC000149640325 562842728 /nfs/dbraw/zinc/84/27/28/562842728.db2.gz LZJOMSLNRFUQSC-GOSISDBHSA-N 0 0 518.683 5.164 1 10 KKCFRN O=C(OCCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000150522569 562843520 /nfs/dbraw/zinc/84/35/20/562843520.db2.gz GAGPRYXITNMNBZ-BOVCXGLBSA-N 0 0 922.764 8.623 1 10 KKCFRN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574466 562845218 /nfs/dbraw/zinc/84/52/18/562845218.db2.gz OOJSOILQZFKZEI-WNOXWKSXSA-N 0 0 773.876 5.664 1 10 KKCFRN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574459 562845246 /nfs/dbraw/zinc/84/52/46/562845246.db2.gz OOJSOILQZFKZEI-GOJCVTOHSA-N 0 0 773.876 5.664 1 10 KKCFRN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2c3c(C)nn(-c4ccccc4)c3OC3=C2C(=O)N[C@](C)(c2cc(Cl)ccc2O)N3)cc1 ZINC000150582824 562845590 /nfs/dbraw/zinc/84/55/90/562845590.db2.gz IBHLSBQRYPPZFM-YAYIQTBWSA-N 0 0 671.157 6.729 1 10 KKCFRN COc1ccc(N2CCN(c3nc(Oc4cccc5cccnc54)nc(Sc4nnc(-c5cc6ccccc6oc5=O)o4)n3)CC2)cc1 ZINC000150589073 562846075 /nfs/dbraw/zinc/84/60/75/562846075.db2.gz QCBLZKOIDYNLPR-UHFFFAOYSA-N 0 0 658.700 5.855 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592860 562846368 /nfs/dbraw/zinc/84/63/68/562846368.db2.gz AKYJOLIKAAZPST-CFANOTALSA-N 0 0 657.821 8.013 1 10 KKCFRN COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cccc3C)C2=O)cc1F ZINC000150604205 562847573 /nfs/dbraw/zinc/84/75/73/562847573.db2.gz CPRTYRWYPSLKDC-HPNDGRJYSA-N 0 0 682.753 5.387 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1F ZINC000150604247 562847624 /nfs/dbraw/zinc/84/76/24/562847624.db2.gz STKSFFDICKIQPP-XAYXJRQQSA-N 0 0 667.738 6.563 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3F)C2=O)cc1F ZINC000150604970 562847706 /nfs/dbraw/zinc/84/77/06/562847706.db2.gz BWGQAKOWFVFEGA-LKUDQCMESA-N 0 0 689.691 6.533 1 10 KKCFRN O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1ccc(Cl)cc1)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1ccc(Cl)cc1 ZINC000150630436 562848949 /nfs/dbraw/zinc/84/89/49/562848949.db2.gz KCUOUOUGPDOMNL-BFAKHGEDSA-N 0 0 863.842 8.929 1 10 KKCFRN CC(C)=CC[C@@]12C[C@H]3[C@@H](CC(C)=O)[C@@](C(=O)c4ccc(O)c(O)c4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000169308852 562854209 /nfs/dbraw/zinc/85/42/09/562854209.db2.gz ANLQHTCKGBOPQY-FNOHMWBYSA-N 0 0 534.649 5.328 1 10 KKCFRN CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000169325654 562857653 /nfs/dbraw/zinc/85/76/53/562857653.db2.gz LNTJQFBTDQICKN-UHFFFAOYSA-N 0 0 507.465 6.518 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326967 562857940 /nfs/dbraw/zinc/85/79/40/562857940.db2.gz LWZSYMQEHFEMQB-OLRZCDJHSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327020 562858003 /nfs/dbraw/zinc/85/80/03/562858003.db2.gz LSQRPXQGVJTODR-JWRCQZCYSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327043 562858009 /nfs/dbraw/zinc/85/80/09/562858009.db2.gz XKVIREVAZLSBIJ-YMGMXPECSA-N 0 0 537.505 5.016 1 10 KKCFRN O=C1/C(=C/c2ccc(OCCCCCOc3ccc(/C=C4\SC(=S)N(Cc5ccncc5)C4=O)cc3)cc2)SC(=S)N1Cc1ccncc1 ZINC000169327350 562858072 /nfs/dbraw/zinc/85/80/72/562858072.db2.gz HFGKARMAYYALCJ-DHZXOOEVSA-N 0 0 724.955 7.908 1 10 KKCFRN CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCN(c4ccc(OC)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342054 562860931 /nfs/dbraw/zinc/86/09/31/562860931.db2.gz UBBHRNFMMSQYKN-UHFFFAOYSA-N 0 0 516.638 5.858 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2cccnc2)S1 ZINC000206888999 562876578 /nfs/dbraw/zinc/87/65/78/562876578.db2.gz CHAWRKCQYRNRBT-JJDHCWFKSA-N 0 0 556.051 5.495 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S1 ZINC000206888930 562876589 /nfs/dbraw/zinc/87/65/89/562876589.db2.gz KXUXEQXPRVRWIF-HQUMBPMSSA-N 0 0 631.161 7.767 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccc(F)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000253634341 562882184 /nfs/dbraw/zinc/88/21/84/562882184.db2.gz RHCXXCDKSISLDH-BHYZAODMSA-N 0 0 556.609 7.214 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccccc21 ZINC000299825487 562883592 /nfs/dbraw/zinc/88/35/92/562883592.db2.gz KVEWWFSHMRXNLT-MUBPVYAGSA-N 0 0 563.864 6.246 1 10 KKCFRN CCC[NH+](CCC)Cc1c([O-])c(OC)cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)cc5ccn4c3c(=O)oc21 ZINC000299825970 562883738 /nfs/dbraw/zinc/88/37/38/562883738.db2.gz MKSFVBCOVNMYNQ-UHFFFAOYSA-N 0 0 612.679 6.784 1 10 KKCFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000299830225 562885117 /nfs/dbraw/zinc/88/51/17/562885117.db2.gz LTMOKDPZNYVNLE-QUCUAOCBSA-N 0 0 525.655 6.494 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)SC2=S)c1 ZINC000299832608 562885886 /nfs/dbraw/zinc/88/58/86/562885886.db2.gz QBMVGAGRJVYLBD-NAZSJVEXSA-N 0 0 515.616 5.375 1 10 KKCFRN O=C(CN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000299837791 562887581 /nfs/dbraw/zinc/88/75/81/562887581.db2.gz KVSFSWTXQXDIMM-NHDPSOOVSA-N 0 0 512.996 5.383 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473088583 562897354 /nfs/dbraw/zinc/89/73/54/562897354.db2.gz OYTZRNOEZYEYKL-JWPDNNILSA-N 0 0 651.781 7.279 1 10 KKCFRN CCOc1ccc(-c2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473106839 562898284 /nfs/dbraw/zinc/89/82/84/562898284.db2.gz XXRUEVWDVJHHOG-UHFFFAOYSA-N 0 0 601.659 5.619 1 10 KKCFRN C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)NC(=O)[C@@H]43)[C@H](c3ccc(C(F)(F)F)cc3)[C@]1(C)C(=O)c1ccccc1C2=O ZINC000473120510 562899370 /nfs/dbraw/zinc/89/93/70/562899370.db2.gz DRAKQVLBCKFKNR-INUIQVKHSA-N 0 0 507.508 5.120 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653833338 562914601 /nfs/dbraw/zinc/91/46/01/562914601.db2.gz DSUBUDBDRUEAAT-HWHDQVLESA-N 0 0 638.596 6.306 1 10 KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(N)c3)CCC[C@H]2Cc2ccccc2)ccc1O ZINC000085625844 565159525 /nfs/dbraw/zinc/15/95/25/565159525.db2.gz ATDASOQYYZNTOU-IKJFUMAYSA-N 0 0 640.777 5.890 1 10 biogenic,in-vitro KKCFRN CC(=O)Oc1ccc2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C4(O)CCCCC4)c3)c(O)c1C2=O ZINC000085593386 291907242 /nfs/dbraw/zinc/90/72/42/291907242.db2.gz AGIHOAWKVKYXQM-UNNNUCRCSA-N 0 0 734.798 5.212 1 10 biogenic,in-vitro KKCFRN O=C1CS[C@@H](c2ccccc2O)N1c1nc2cc3sc(N4C(=O)CS[C@H]4c4ccccc4O)nc3cc2s1 ZINC000001657713 561678897 /nfs/dbraw/zinc/67/88/97/561678897.db2.gz LSMLQEZFWSGCQA-ZEQRLZLVSA-N 0 0 578.722 5.874 1 10 KKCFRN Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935905 561681134 /nfs/dbraw/zinc/68/11/34/561681134.db2.gz QCLDDWCFAWESIF-XXBNENTESA-N 0 0 548.206 5.759 1 10 KKCFRN Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 ZINC000002936815 561681277 /nfs/dbraw/zinc/68/12/77/561681277.db2.gz HFNGYYIRICQICP-FDDCHVKYSA-N 0 0 503.755 5.650 1 10 KKCFRN O=C1c2ccccc2C(=O)c2c1nc1ccccc1c2-c1cncc(-c2c3ccccc3nc3c2C(=O)c2ccccc2C3=O)c1 ZINC000005582146 561697189 /nfs/dbraw/zinc/69/71/89/561697189.db2.gz QJFMOZBWBXNDRT-UHFFFAOYSA-N 0 0 593.598 7.063 1 10 KKCFRN COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc43)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000005838544 561699108 /nfs/dbraw/zinc/69/91/08/561699108.db2.gz PAVDIAZJLWDSLA-QFIPXVFZSA-N 0 0 514.494 5.735 1 10 KKCFRN CC[C@H](C(=O)C(=O)[C@H](CC)[P@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002103 561700852 /nfs/dbraw/zinc/70/08/52/561700852.db2.gz POHCWNHEQVWZIR-NYSUZONRSA-N 0 0 520.588 5.887 1 10 KKCFRN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000006013608 561701896 /nfs/dbraw/zinc/70/18/96/561701896.db2.gz UKPHYSSKYLMCEI-XMMPIXPASA-N 0 0 574.105 5.757 1 10 KKCFRN CCOC[C@H](CC(C)C)N(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 ZINC000013863963 561735270 /nfs/dbraw/zinc/73/52/70/561735270.db2.gz KBLZCVLCFIQLGH-SANMLTNESA-N 0 0 535.714 5.012 1 10 KKCFRN CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1cccc(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O)C(C)C)C(=O)[O-] ZINC000026826622 561822128 /nfs/dbraw/zinc/82/21/28/561822128.db2.gz FYEYFOSDWJETPK-OUVQTOMUSA-N 0 0 722.005 7.354 1 10 KKCFRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000026969052 561830237 /nfs/dbraw/zinc/83/02/37/561830237.db2.gz SBHUFGJIRHZPLO-QNGWXLTQSA-N 0 0 509.675 5.899 1 10 KKCFRN Cc1nc(-c2c3ccccc3nc3ccccc32)sc1CCOC(=O)c1ccc(NN=Nc2ccc(C(N)=O)cc2)cc1 ZINC000027103648 561839456 /nfs/dbraw/zinc/83/94/56/561839456.db2.gz IYMDOQSSTYSEIG-UHFFFAOYSA-N 0 0 586.677 7.429 1 10 KKCFRN COC(=O)[C@H]1Cc2c(ccc(OC)c2Oc2ccc(N)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000027715477 561880185 /nfs/dbraw/zinc/88/01/85/561880185.db2.gz FTKUXUVNESZDSL-HHHXNRCGSA-N 0 0 522.601 5.328 1 10 KKCFRN CCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028002678 561894947 /nfs/dbraw/zinc/89/49/47/561894947.db2.gz OJXSWIXEHUHCSQ-KUFVUHJUSA-N 0 0 704.659 6.011 1 10 KKCFRN CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028005744 561895492 /nfs/dbraw/zinc/89/54/92/561895492.db2.gz ZNIDTDMXFOEMHX-HKFHRXRESA-N 0 0 676.605 5.231 1 10 KKCFRN O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1[O-])Nc1ccc(C(F)(F)F)cc1 ZINC000028385820 561921029 /nfs/dbraw/zinc/92/10/29/561921029.db2.gz HTEJLXVJGHAIIN-UHFFFAOYSA-N 0 0 525.163 5.237 1 10 KKCFRN C[C@@H](CCc1ccccc1)Nc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2C(=O)[O-])c1F ZINC000028522911 561929723 /nfs/dbraw/zinc/92/97/23/561929723.db2.gz MZKLPDKKHFTFKL-FQEVSTJZSA-N 0 0 697.695 6.701 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704560 561948676 /nfs/dbraw/zinc/94/86/76/561948676.db2.gz SRFCYPPPLXTILT-UMSFTDKQSA-N 0 0 708.815 6.778 1 10 KKCFRN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146134 562064866 /nfs/dbraw/zinc/06/48/66/562064866.db2.gz ZHQVBFNVLGDXEA-LBNVMWSVSA-N 0 0 543.639 5.544 3 10 KKCFRN NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000038146286 562065212 /nfs/dbraw/zinc/06/52/12/562065212.db2.gz FUMVJRQOEAFJCB-DEOSSOPVSA-N 0 0 565.468 5.163 3 10 KKCFRN CC(C)=CCCc1cc(O)c2oc3c(CCC=C(C)C)c(O)c(O)c(CCC=C(C)C)c3c(=O)c2c1O ZINC000095485977 560061984 /nfs/dbraw/zinc/06/19/84/560061984.db2.gz ORELPBPUTNTOIF-UHFFFAOYSA-N 0 0 506.639 7.465 1 10 biogenic,in-vitro KKCFRN CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(OC3CCCC3)c2)C1 ZINC000085597294 560063027 /nfs/dbraw/zinc/06/30/27/560063027.db2.gz PMKYRWXKARXOHZ-HFASVGIHSA-N 0 0 554.680 6.621 1 10 biogenic,in-vitro KKCFRN CCCCCc1cc(CC[C@H]2C[C@@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3Cc3cc[nH]c3)O2)ccc1O ZINC000085596404 560063428 /nfs/dbraw/zinc/06/34/28/560063428.db2.gz BTDMZYAEXOSXBV-IWHLBADBSA-N 0 0 508.635 5.463 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@]23CCCC[C@@H]2C=Cc2cc(O)c(O)cc23)ccc1O ZINC000085626179 560069131 /nfs/dbraw/zinc/06/91/31/560069131.db2.gz YJMLRVXWNYZKKP-YNRUPGFSSA-N 0 0 556.699 6.784 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@@]23CCCC[C@@H]2CCc2cc(O)c(O)cc23)ccc1O ZINC000085626183 560069275 /nfs/dbraw/zinc/06/92/75/560069275.db2.gz BDSXVCIJPQZJCM-BNLOXJJCSA-N 0 0 558.715 6.703 1 10 biogenic,in-vitro KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000044352251 562655061 /nfs/dbraw/zinc/65/50/61/562655061.db2.gz LNBVBHQKBZKCSF-ZFEZZJPFSA-N 0 0 580.681 6.953 1 10 KKCFRN CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)C12C(=O)c1ccccc1C2=O ZINC000044406233 562656793 /nfs/dbraw/zinc/65/67/93/562656793.db2.gz DIFSMRZKULXTHU-MUAVYFROSA-N 0 0 539.429 5.593 1 10 KKCFRN COc1cc2c(cc1OC)-c1c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(O)c(O)c3)cn1CC2 ZINC000045287898 562660233 /nfs/dbraw/zinc/66/02/33/562660233.db2.gz LCMKSAWYJDKLQK-UHFFFAOYSA-N 0 0 503.551 5.499 1 10 KKCFRN Oc1c(Br)cc(Br)cc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 ZINC000049757131 562675563 /nfs/dbraw/zinc/67/55/63/562675563.db2.gz VKGFFGKYZCWSQV-UHFFFAOYSA-N 0 0 524.253 6.456 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2CC(c3cc(Cl)c(C)cc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049781076 562682615 /nfs/dbraw/zinc/68/26/15/562682615.db2.gz ZMEKGJVRFLJHIZ-NRFANRHFSA-N 0 0 560.938 8.206 1 10 KKCFRN COc1ccc(N2CCN(c3nc4ncn(CC(F)(F)F)c4c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000049781408 562683038 /nfs/dbraw/zinc/68/30/38/562683038.db2.gz UGKVXSQMXRJZNM-UHFFFAOYSA-N 0 0 581.687 6.852 1 10 KKCFRN COc1ccc(N2CCN(c3nc4nc(C(F)(F)F)n(C)c4c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000049781409 562683056 /nfs/dbraw/zinc/68/30/56/562683056.db2.gz SIHMTSVDAYVYNY-UHFFFAOYSA-N 0 0 581.687 6.845 1 10 KKCFRN COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(S(C)(=O)=O)n3)CC2(C)C)cc1 ZINC000053175227 562696382 /nfs/dbraw/zinc/69/63/82/562696382.db2.gz IGDYKVBPBGDQPC-UHFFFAOYSA-N 0 0 537.730 5.343 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2OC(C)=O)cc1OCc1ccc(F)cc1 ZINC000064513679 562706482 /nfs/dbraw/zinc/70/64/82/562706482.db2.gz KAWXUCHBVGCOGL-UUYOSTAYSA-N 0 0 539.357 5.483 1 10 KKCFRN CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(N(C)C)cc2)c(=O)c2ccc(C)nc21 ZINC000064516421 562706577 /nfs/dbraw/zinc/70/65/77/562706577.db2.gz PSBAJVLBDCJOGU-AREMUKBSSA-N 0 0 519.605 5.529 1 10 KKCFRN CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(OC)cc2O)c(=O)c2ccc(C)nc21 ZINC000064527580 562707007 /nfs/dbraw/zinc/70/70/07/562707007.db2.gz VBTUTKQAYHFRRL-XMMPIXPASA-N 0 0 522.561 5.177 1 10 KKCFRN Oc1ccc(Cc2ccc(O)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000071294993 562717062 /nfs/dbraw/zinc/71/70/62/562717062.db2.gz INMQHLIMMGRRJC-VMPREFPWSA-N 0 0 557.481 6.873 1 10 KKCFRN O=C(c1ccccc1)n1cc(/C=C2\C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)c2ccccc21 ZINC000072106198 562720976 /nfs/dbraw/zinc/72/09/76/562720976.db2.gz NHDQPMXLJBMQDY-QJOMJCCJSA-N 0 0 509.392 7.856 1 10 KKCFRN CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072123216 562724710 /nfs/dbraw/zinc/72/47/10/562724710.db2.gz HPZMENVGULEJHY-BNHMMOKISA-N 0 0 719.674 5.967 1 10 KKCFRN CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1 ZINC000072179759 562732396 /nfs/dbraw/zinc/73/23/96/562732396.db2.gz NJYTXODBJNKKHC-UHFFFAOYSA-N 0 0 596.753 6.084 1 10 KKCFRN CCCCc1nc(Cl)c(C(=O)NCCCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073274384 562737197 /nfs/dbraw/zinc/73/71/97/562737197.db2.gz DNUXOXPBCWZABH-UHFFFAOYSA-N 0 0 586.096 5.548 1 10 KKCFRN COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/c5ccccc5)N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082191407 562742672 /nfs/dbraw/zinc/74/26/72/562742672.db2.gz RKTIYAZGPIMWGE-IMRQLAEWSA-N 0 0 627.147 7.107 1 10 KKCFRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H](c3ccccc3O)C2)cc1 ZINC000082191601 562742711 /nfs/dbraw/zinc/74/27/11/562742711.db2.gz IJNQOTWXYWEIOI-AREMUKBSSA-N 0 0 651.679 5.166 1 10 KKCFRN CCc1cnc(Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)nc1 ZINC000084615751 562744510 /nfs/dbraw/zinc/74/45/10/562744510.db2.gz SIELZVAKQDCXMX-UHFFFAOYSA-N 0 0 505.626 5.289 1 10 KKCFRN Cc1cccc(S(=O)(=O)NCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1 ZINC000084689367 562749340 /nfs/dbraw/zinc/74/93/40/562749340.db2.gz IIMODUUMUBAHBN-UHFFFAOYSA-N 0 0 500.620 5.060 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)cc1C2=O ZINC000084690350 562749563 /nfs/dbraw/zinc/74/95/63/562749563.db2.gz PNGSXAVOWNCUKI-UHFFFAOYSA-N 0 0 690.488 6.306 1 10 KKCFRN [N-]=[N+]=NCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2CS[C@H](COC(=O)CCCCCCCCCCCN=[N+]=[N-])O2)c(=O)n1 ZINC000084741665 562752157 /nfs/dbraw/zinc/75/21/57/562752157.db2.gz HXXHTZYPUNLFSG-IGYGKHONSA-N 0 0 675.901 8.736 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)C(=C4C(=O)Nc5ccc(Cl)cc54)S3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095555537 562761540 /nfs/dbraw/zinc/76/15/40/562761540.db2.gz DFAJUEPOYONFON-KXZZPGAFSA-N 0 0 549.439 6.795 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(Cl)cc2)SC1=C1C(=O)Nc2ccccc21 ZINC000095555485 562761554 /nfs/dbraw/zinc/76/15/54/562761554.db2.gz XMQIMPWKMUCJJJ-YNIWUXQGSA-N 0 0 535.028 7.287 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc(Br)cc3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095563095 562763862 /nfs/dbraw/zinc/76/38/62/562763862.db2.gz KIJMTNMOTIVKAX-UHFFFAOYSA-N 0 0 582.929 8.630 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3cc(Cl)sc3S(N)(=O)=O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000095595203 562776673 /nfs/dbraw/zinc/77/66/73/562776673.db2.gz ZURKKZUBCSLQKP-OAQYLSRUSA-N 0 0 578.572 6.248 1 10 KKCFRN CCCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096270788 562793395 /nfs/dbraw/zinc/79/33/95/562793395.db2.gz MELDVKZTKCUOTK-UHFFFAOYSA-N 0 0 541.030 5.314 1 10 KKCFRN COc1ccc(NC2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)S2)c(OC)c1 ZINC000096905744 562798638 /nfs/dbraw/zinc/79/86/38/562798638.db2.gz GFBGOJRNTSFBLI-OYKKKHCWSA-N 0 0 517.010 6.292 1 10 KKCFRN COc1ccc([C@@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C2CCCCC2)cc1OC ZINC000096915674 562801075 /nfs/dbraw/zinc/80/10/75/562801075.db2.gz LCDGBVUHGZTLNH-SSEXGKCCSA-N 0 0 570.097 7.342 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1cc(F)ccc1Br ZINC000096922246 562801727 /nfs/dbraw/zinc/80/17/27/562801727.db2.gz TUULNMYHKPXXFN-HKBQPEDESA-N 0 0 800.655 8.378 1 10 KKCFRN O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000102963922 562813742 /nfs/dbraw/zinc/81/37/42/562813742.db2.gz WEJWNZITXCLTGL-VSGBNLITSA-N 0 0 560.565 5.428 1 10 KKCFRN CN(C)c1ccc([C@@H]2SCC(=O)N2CCCNc2c3c4ccccc4nc-3n(C)c3ccccc32)cc1 ZINC000103082653 562814260 /nfs/dbraw/zinc/81/42/60/562814260.db2.gz QYNMQLKPYQPNNK-PMERELPUSA-N 0 0 509.679 5.974 1 10 KKCFRN COc1ccc(/C=C2/SC(N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000103187751 562815518 /nfs/dbraw/zinc/81/55/18/562815518.db2.gz SUKXUXPHSKGOOJ-RZZUAFPKSA-N 0 0 552.881 6.933 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1 ZINC000103187696 562815523 /nfs/dbraw/zinc/81/55/23/562815523.db2.gz JWSPEKHHXWFJFQ-XMHVBLFMSA-N 0 0 557.300 7.578 1 10 KKCFRN O=C(c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1)[n+]1[n-]c(=S)sc1-c1ccc([N+](=O)[O-])cc1 ZINC000103203054 562816200 /nfs/dbraw/zinc/81/62/00/562816200.db2.gz VCHZAAMXZOLMSZ-UHFFFAOYSA-O 0 0 564.628 5.349 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc(Cl)c(Cl)c2)cc1 ZINC000103210374 562816635 /nfs/dbraw/zinc/81/66/35/562816635.db2.gz CLQCZSIJEILCSP-ULIFNZDWSA-N 0 0 553.877 8.489 1 10 KKCFRN O=C(N[C@@H](c1ccccc1)c1cc2ccccc2cc1O)N[C@@H](c1ccccc1)c1cc2ccccc2cc1O ZINC000103216636 562817121 /nfs/dbraw/zinc/81/71/21/562817121.db2.gz FQYFZCXHRMDVGT-HEVIKAOCSA-N 0 0 524.620 7.582 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc2ccccc2c1 ZINC000103236108 562818807 /nfs/dbraw/zinc/81/88/07/562818807.db2.gz IUOGATBTMQZXQZ-SSEXGKCCSA-N 0 0 559.511 5.721 1 10 KKCFRN O=C1Nc2ccccc2C1=Cc1cn(CCCCOc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)c2ccccc12 ZINC000103237477 562819049 /nfs/dbraw/zinc/81/90/49/562819049.db2.gz AXUWVIKYJXPLPA-VEILYXNESA-N 0 0 568.629 7.472 1 10 KKCFRN Cc1ncccc1-c1nc2cc(F)ccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C ZINC000118091614 562830083 /nfs/dbraw/zinc/83/00/83/562830083.db2.gz XTVUYOPZHVVPRV-UHFFFAOYSA-N 0 0 524.640 6.089 1 10 KKCFRN Cc1cncc(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118093589 562830130 /nfs/dbraw/zinc/83/01/30/562830130.db2.gz BNTWZPRBUMIFGU-UHFFFAOYSA-N 0 0 501.581 5.853 1 10 KKCFRN COc1ccc(N2CCN(C(=O)[C@]3(Oc4ccc(C(F)(F)F)cc4)CCCN(C(=O)c4cnccc4C(F)(F)F)C3)CC2)cc1 ZINC000150525243 562843758 /nfs/dbraw/zinc/84/37/58/562843758.db2.gz ZCMROHGFXCDHLP-LJAQVGFWSA-N 0 0 636.593 5.530 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582238 562845555 /nfs/dbraw/zinc/84/55/55/562845555.db2.gz JIXCEOPOYUFFSV-WOGQQFDQSA-N 0 0 640.675 5.912 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)cc(I)c3[O-])NC1=O)O2 ZINC000150582746 562845575 /nfs/dbraw/zinc/84/55/75/562845575.db2.gz SCOYRPVAVNZADG-WLFXDIPCSA-N 0 0 801.472 7.979 1 10 KKCFRN O=[N+]([O-])c1ccc2c(c1)N(Cc1cc(Br)ccc1O)[C@H](c1cc(Br)ccc1O)N2Cc1cc(Br)ccc1O ZINC000150600730 562847201 /nfs/dbraw/zinc/84/72/01/562847201.db2.gz DRJFKAQEUALKDH-HHHXNRCGSA-N 0 0 706.185 7.725 1 10 KKCFRN COc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl ZINC000150603786 562847467 /nfs/dbraw/zinc/84/74/67/562847467.db2.gz CYVPZDFIJGYWLQ-BSYVCWPDSA-N 0 0 720.154 6.289 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F ZINC000150604233 562847550 /nfs/dbraw/zinc/84/75/50/562847550.db2.gz OXQHEWOTAZXICR-HIXSDJFHSA-N 0 0 692.119 6.801 1 10 KKCFRN COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F ZINC000150604218 562847601 /nfs/dbraw/zinc/84/76/01/562847601.db2.gz QYRPPRMBXWRGIN-HIXSDJFHSA-N 0 0 707.134 5.562 1 10 KKCFRN COC1=CC(C=Cc2cc(C=CC3=CC(=NNc4ccc(Cl)cc4)C(=O)C(OC)=C3)n(C=O)n2)=CC(=NNc2ccc(Cl)cc2)C1=O ZINC000150611523 562848463 /nfs/dbraw/zinc/84/84/63/562848463.db2.gz MTUSJIZXYLBOLU-RFESYAQKSA-N 0 0 669.525 9.828 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326973 562857953 /nfs/dbraw/zinc/85/79/53/562857953.db2.gz TURUXYRZXZQFMF-DEXQXJORSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169327006 562857955 /nfs/dbraw/zinc/85/79/55/562857955.db2.gz JXGZWPVQZNZTBC-OLRZCDJHSA-N 0 0 555.495 5.155 1 10 KKCFRN COC(=O)CCC=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000169699259 562867579 /nfs/dbraw/zinc/86/75/79/562867579.db2.gz FJVQWCXYFKISOQ-QLKFWGTOSA-N 0 0 607.664 5.275 1 10 KKCFRN CN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)C(=O)N(C)C1=O ZINC000299826630 562883946 /nfs/dbraw/zinc/88/39/46/562883946.db2.gz MYEDONNDARSJDJ-UHFFFAOYSA-N 0 0 575.715 8.047 1 10 KKCFRN O=C1N=C(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccc(Cl)cc3)CC2)S/C1=C\c1ccccc1 ZINC000299827444 562884132 /nfs/dbraw/zinc/88/41/32/562884132.db2.gz FQPPWXDLEXJGCP-RLDXSPPBSA-N 0 0 548.116 5.209 1 10 KKCFRN CCOP(=O)(OCC)[C@H]([NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000299836667 562887299 /nfs/dbraw/zinc/88/72/99/562887299.db2.gz OIIZBHWROJHQBB-XHPANXIASA-N 0 0 572.683 7.989 1 10 KKCFRN COc1c(O)cc2oc3c(C[NH+]4CCCCC4)c([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000299872077 562895818 /nfs/dbraw/zinc/89/58/18/562895818.db2.gz ZWAHRCNLTYQJIK-UHFFFAOYSA-N 0 0 507.627 6.075 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473091488 562897702 /nfs/dbraw/zinc/89/77/02/562897702.db2.gz YVTYNDNIEXZRKN-IOOSODASSA-N 0 0 567.725 6.311 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Br)cc1 ZINC000473118014 562899240 /nfs/dbraw/zinc/89/92/40/562899240.db2.gz JZDNGRPIYKFPEA-NOGPVDPTSA-N 0 0 577.895 8.874 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(C)cc1 ZINC000473118840 562899256 /nfs/dbraw/zinc/89/92/56/562899256.db2.gz LTYJVWIUUPRQSW-ARVYSTCASA-N 0 0 513.026 8.420 1 10 KKCFRN COc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1 ZINC000473135352 562900661 /nfs/dbraw/zinc/90/06/61/562900661.db2.gz HQECXZKIRDUGLC-UHFFFAOYSA-N 0 0 538.570 5.864 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473247550 562904981 /nfs/dbraw/zinc/90/49/81/562904981.db2.gz FSHJFYCFTTUATA-ZKWPTUIMSA-N 0 0 601.721 6.126 1 10 KKCFRN CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653813427 562913980 /nfs/dbraw/zinc/91/39/80/562913980.db2.gz UASDLASFPGUWQT-NSJVFKKDSA-N 0 0 624.569 5.745 1 10 KKCFRN O=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn21 ZINC000653821707 562914131 /nfs/dbraw/zinc/91/41/31/562914131.db2.gz VTZANVGVSPTEBR-UHFFFAOYSA-N 0 0 606.795 8.758 1 10 KKCFRN CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653835879 562914727 /nfs/dbraw/zinc/91/47/27/562914727.db2.gz UASDLASFPGUWQT-GMCHKSTQSA-N 0 0 624.569 5.745 1 10 KKCFRN Cc1ccc(/N=c2\c3ccc(C)cc3n(C(=O)c3ccc(C(C)(C)C)cc3)c3c(O)c(O)c(O)cc32)cc1 ZINC000653849086 562915391 /nfs/dbraw/zinc/91/53/91/562915391.db2.gz OIVMGNAHDAEBBY-MUGXBBEHSA-N 0 0 506.602 6.747 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)SC2=S)cc1 ZINC000653899338 562917472 /nfs/dbraw/zinc/91/74/72/562917472.db2.gz BNRFYJKVFFOVOB-RBAUZFLXSA-N 0 0 584.122 7.476 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(Cl)cc3)SC2=S)cc1 ZINC000653899388 562917494 /nfs/dbraw/zinc/91/74/94/562917494.db2.gz PBKPEKUXDNXWTO-OENGVYFNSA-N 0 0 568.507 6.976 1 10 KKCFRN C/C(CC1(c2ccnc(N)c2)CCCCC1)=C(/CO)C[C@@]12O[C@]1(C(=O)OC[C@H](O)CCc1ccccc1)C(=O)c1ccccc1C2=O ZINC000085592639 565148548 /nfs/dbraw/zinc/14/85/48/565148548.db2.gz VPEXSCBJRYCXBM-DDWNOUCBSA-N 0 0 638.761 5.079 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(O[C@@H]3CCC4(CCCC4)C3)c2)O1 ZINC000085597281 565157032 /nfs/dbraw/zinc/15/70/32/565157032.db2.gz KNJVBEGUJATRJI-LPCBNCMASA-N 0 0 610.788 7.895 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](C(=O)C[C@H](CCc1ccccc1)c1cc(OC)c(O)cc1CO)[C@H](O)CCc1ccc(O)c(O)c1 ZINC000085626234 291931413 /nfs/dbraw/zinc/93/14/13/291931413.db2.gz RSAMKXRHVWARNV-MDZVADFISA-N 0 0 564.719 6.170 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@H]5C=CC[C@@H](C)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596348 291964471 /nfs/dbraw/zinc/96/44/71/291964471.db2.gz WJBOFNOPAAPREZ-LRKXZWNNSA-N 0 0 558.695 6.361 1 10 biogenic,in-vitro KKCFRN COc1cc(/C=C/C(=O)Oc2ccc([C@@H]3OC[C@H]4[C@@H]3CO[C@H]4c3ccc(OC(=O)/C=C/c4ccc(O)c(O)c4)c(OC)c3)cc2OC)ccc1O ZINC000085644011 291967645 /nfs/dbraw/zinc/96/76/45/291967645.db2.gz PSNNVYMUJMAFMB-FVHLBLKMSA-N 0 0 696.705 6.142 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625884 291968439 /nfs/dbraw/zinc/96/84/39/291968439.db2.gz SGIIIQCVJOPRCA-KAYWLYCHSA-N 0 0 550.692 5.981 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3ccnc(N)c3)CCC[C@@H]2Cc2ccc[nH]2)ccc1O ZINC000085625704 291969004 /nfs/dbraw/zinc/96/90/04/291969004.db2.gz WKAARXNQJZTMGB-ZIIRDRSTSA-N 0 0 670.827 6.030 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCCCC4)c3)O2)ccc1O ZINC000085597283 291969784 /nfs/dbraw/zinc/96/97/84/291969784.db2.gz FVLKDZRZDRCGLX-FBLLAGFSSA-N 0 0 500.588 5.308 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(O[C@@H]4CC[C@@]5(CCC6(CCCC6)C5)C4)c3)O2)ccc1O ZINC000085597263 291969788 /nfs/dbraw/zinc/96/97/88/291969788.db2.gz SNDVUKYGWZWXIC-ASQRSADYSA-N 0 0 594.745 7.259 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(O[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)C4)c3)O2)ccc1O ZINC000085597269 291969778 /nfs/dbraw/zinc/96/97/78/291969778.db2.gz QGSPOXNEPVCCPX-OYPOOKGJSA-N 0 0 630.778 7.557 1 10 biogenic,in-vitro KKCFRN O=C1CS[C@H](c2ccccc2O)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4ccccc4O)nc3cc2s1 ZINC000001657712 561678889 /nfs/dbraw/zinc/67/88/89/561678889.db2.gz LSMLQEZFWSGCQA-DNQXCXABSA-N 0 0 578.722 5.874 1 10 KKCFRN COc1cc(/C=C2\N=C(c3ccccc3)N(c3cc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)ccc1O ZINC000001660548 561679049 /nfs/dbraw/zinc/67/90/49/561679049.db2.gz HOUXLYIVSIWMPG-QQXSKIMKSA-N 0 0 517.610 6.868 1 10 KKCFRN COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 ZINC000002935888 561681138 /nfs/dbraw/zinc/68/11/38/561681138.db2.gz GWUPKQQJJRUFIC-NTKDMRAZSA-N 0 0 515.791 5.519 1 10 KKCFRN COc1cc([C@H]2CC(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000003589072 561682112 /nfs/dbraw/zinc/68/21/12/561682112.db2.gz NLOULXNEGAPOCR-DHIUTWEWSA-N 0 0 560.599 5.034 1 10 KKCFRN COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O ZINC000005955683 561700607 /nfs/dbraw/zinc/70/06/07/561700607.db2.gz KCUJCGXWBSMQRQ-UHFFFAOYSA-N 0 0 596.758 5.605 1 10 KKCFRN CCCCCCc1ccc2c(c1OC(=O)OCCCC)C(=O)c1c(OC(=O)OCCCC)cccc1C2=O ZINC000013454779 561713696 /nfs/dbraw/zinc/71/36/96/561713696.db2.gz FHUKHJJQKRNEAN-UHFFFAOYSA-N 0 0 524.610 7.216 1 10 KKCFRN COc1cc(C(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc(OC)c1OC ZINC000008583613 561705871 /nfs/dbraw/zinc/70/58/71/561705871.db2.gz LTFXUXXCVRHFDC-JOCHJYFZSA-N 0 0 513.377 5.792 1 10 KKCFRN CCCC[C@H](NC(=O)OCC1(CSc2nccs2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013583860 561720317 /nfs/dbraw/zinc/72/03/17/561720317.db2.gz KOQZGLVGWPESGS-QUCCMNQESA-N 0 0 503.690 5.137 1 10 KKCFRN COC(=O)c1c(-c2cc(OC)c(C)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026290039 561780309 /nfs/dbraw/zinc/78/03/09/561780309.db2.gz IEXOQDWHLPVRNW-UHFFFAOYSA-N 0 0 551.599 5.326 1 10 KKCFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026290996 561780613 /nfs/dbraw/zinc/78/06/13/561780613.db2.gz XFNGJTCNIOOLJU-UHFFFAOYSA-N 0 0 567.598 5.026 1 10 KKCFRN O=C(Oc1cccc2c1C(=O)c1cccc(OC(=O)c3ccc(Cl)cc3)c1C2=O)c1ccc(Cl)cc1 ZINC000026977069 561831031 /nfs/dbraw/zinc/83/10/31/561831031.db2.gz JBECKQDZPYBTSG-UHFFFAOYSA-N 0 0 517.320 6.207 1 10 KKCFRN CC(=O)c1ccc(N=NNc2ccc(C(=O)OCCc3sc(-c4c5ccccc5nc5ccccc54)nc3C)cc2)cc1 ZINC000027105639 561839954 /nfs/dbraw/zinc/83/99/54/561839954.db2.gz UXUOHRAMRQTPPN-UHFFFAOYSA-N 0 0 585.689 8.533 1 10 KKCFRN COc1ccc([C@@]2(Cc3ccncc3)C(=O)c3ccc(OCc4ccncc4)cc3C2=O)cc1OC1CCCC1 ZINC000027417531 561857176 /nfs/dbraw/zinc/85/71/76/561857176.db2.gz GRNCQHVLSKITRO-XIFFEERXSA-N 0 0 534.612 5.945 1 10 KKCFRN COc1ccc([C@@]2(Cc3ccncc3)C(=O)c3ccc(OC4CCN(C)CC4)cc3C2=O)cc1OC1CCCC1 ZINC000027420860 561857657 /nfs/dbraw/zinc/85/76/57/561857657.db2.gz GQQDNANWGCICSG-XIFFEERXSA-N 0 0 540.660 5.444 1 10 KKCFRN CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)C1 ZINC000027428325 561858971 /nfs/dbraw/zinc/85/89/71/561858971.db2.gz RZSNHFKVCKTXTG-CWTKIQHKSA-N 0 0 588.837 7.030 1 10 KKCFRN CC=c1c(C)c2cc3nc(c4cc(=S)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000027554182 561868957 /nfs/dbraw/zinc/86/89/57/561868957.db2.gz ZYPUQOURRJBDMX-AVRDEDQJSA-N 0 0 564.755 7.838 1 10 KKCFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C(=O)[C@@](CC(=O)C(=O)C(C)C)(C(=O)OCOC(=O)C(C)(C)C)CC[C@]23C)C1(C)C ZINC000027618562 561872111 /nfs/dbraw/zinc/87/21/11/561872111.db2.gz AHAZIOTUIZIDTG-ARKPNURVSA-N 0 0 658.873 6.817 1 10 KKCFRN CC(=O)OCOC(=O)[C@@]1(CC(=O)C(=O)C(C)C)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027618558 561872173 /nfs/dbraw/zinc/87/21/73/561872173.db2.gz JYEYAOYBOVVCBN-XWOAETFQSA-N 0 0 616.792 5.791 1 10 KKCFRN COC(=O)[C@@H]1Cc2c(ccc(OC)c2Oc2ccc(N)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000027715469 561880171 /nfs/dbraw/zinc/88/01/71/561880171.db2.gz FTKUXUVNESZDSL-MHZLTWQESA-N 0 0 522.601 5.328 1 10 KKCFRN CCCn1nc(CC)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027988780 561892716 /nfs/dbraw/zinc/89/27/16/561892716.db2.gz SYNAZIGLVVDRMQ-WECIHKQLSA-N 0 0 718.686 6.184 1 10 KKCFRN CCCC[C@H](NC(=O)OCC1(CSc2ncc(-c3ccc(Cl)cc3)n2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028392012 561922573 /nfs/dbraw/zinc/92/25/73/561922573.db2.gz UYLMHSGBIKUUGT-GJZUVCINSA-N 0 0 611.208 6.734 1 10 KKCFRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC(=S)N1Cc1ccccc1 ZINC000028703322 561947726 /nfs/dbraw/zinc/94/77/26/561947726.db2.gz YBJBOGHDGMTTOM-VUTHCHCSSA-N 0 0 523.679 7.246 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)cnn1C1CCCC1 ZINC000028760555 561957919 /nfs/dbraw/zinc/95/79/19/561957919.db2.gz CMUGDULMRJZLIG-LJTBLCAVSA-N 0 0 680.804 6.163 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)NCc2ccccn2)c1 ZINC000028822649 561967443 /nfs/dbraw/zinc/96/74/43/561967443.db2.gz DXWANXBSPGSRLA-UHFFFAOYSA-N 0 0 508.021 7.010 1 10 KKCFRN CN(C)c1ccc([C@@H]2SCC(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873808 561975023 /nfs/dbraw/zinc/97/50/23/561975023.db2.gz SGTXDZXRUWRQEC-NDEPHWFRSA-N 0 0 668.042 6.270 1 10 KKCFRN CC(C)Cn1c2ccc(C(=O)c3sccc3Br)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000029125872 561998094 /nfs/dbraw/zinc/99/80/94/561998094.db2.gz NIWZSNQTGBQFMJ-UHFFFAOYSA-N 0 0 573.516 6.248 1 10 KKCFRN CCCn1c2ccc(NC(=O)Oc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338902 562057517 /nfs/dbraw/zinc/05/75/17/562057517.db2.gz YXVSVMPSVYUSPG-UHFFFAOYSA-N 0 0 535.604 5.567 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccc(N(C)C)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338919 562057689 /nfs/dbraw/zinc/05/76/89/562057689.db2.gz VSIVBIKXDHFNBD-UHFFFAOYSA-N 0 0 547.663 5.657 1 10 KKCFRN CC(C)(C)c1ccc(OCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040411363 562075278 /nfs/dbraw/zinc/07/52/78/562075278.db2.gz VRHSHIZKNVOQQA-VWLOTQADSA-N 0 0 509.433 6.829 1 10 KKCFRN O=C(N1CCC2(CC1)CC(=O)c1cc(N3CCOCC3)ccc1O2)N1c2ccccc2Sc2ccccc21 ZINC000040412983 562075434 /nfs/dbraw/zinc/07/54/34/562075434.db2.gz QMSYGWKACPAEMC-UHFFFAOYSA-N 0 0 527.646 5.746 1 10 KKCFRN Oc1cc(-c2c3ccc(cc4ccc(n4)c(-c4ccccc4)c4ccc(cc5ccc2[nH]5)n4)[nH]3)cc(O)c1O ZINC000040566797 562077956 /nfs/dbraw/zinc/07/79/56/562077956.db2.gz SAELLXWOWUHJMY-UHFFFAOYSA-N 0 0 510.553 7.321 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000040900009 562083384 /nfs/dbraw/zinc/08/33/84/562083384.db2.gz RUIXOIFHHOZIIO-PWQPNNMMSA-N 0 0 501.543 5.528 1 10 KKCFRN O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCc3ccccc3)ccc1C2=O ZINC000040934291 562084693 /nfs/dbraw/zinc/08/46/93/562084693.db2.gz SZRGPNHLVDLPHX-UHFFFAOYSA-N 0 0 502.570 5.605 1 10 in-vivo KKCFRN O=C(Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1)c1ccccc1 ZINC000095918953 560054758 /nfs/dbraw/zinc/05/47/58/560054758.db2.gz PKQWLKAIWLFHRO-UHFFFAOYSA-N 0 0 534.520 6.281 1 10 biogenic,in-vitro KKCFRN CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCC3)c2)O[C@H](c2cc(O)c(O)c(OC3CCCCC3)c2)C1 ZINC000085597296 560063031 /nfs/dbraw/zinc/06/30/31/560063031.db2.gz BFTNTGUPFLPMNC-HFASVGIHSA-N 0 0 554.680 6.621 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3(c4cccc(O)c4)CCCC3)c2)ccc1O ZINC000085625545 560069344 /nfs/dbraw/zinc/06/93/44/560069344.db2.gz ZZSVARANEJMCNO-RUZDIDTESA-N 0 0 536.621 5.251 1 10 biogenic,in-vitro KKCFRN CCCC(=O)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000014721726 560224955 /nfs/dbraw/zinc/22/49/55/560224955.db2.gz ATAPROZPHDHTGD-UHFFFAOYSA-N 0 0 514.530 5.697 1 10 biogenic,in-vitro KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000044352249 562655066 /nfs/dbraw/zinc/65/50/66/562655066.db2.gz LNBVBHQKBZKCSF-UZNNEEJFSA-N 0 0 580.681 6.953 1 10 KKCFRN CC1=CC(C)(C)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 ZINC000045260089 562660022 /nfs/dbraw/zinc/66/00/22/562660022.db2.gz JFJJFZOYQGVQOR-UHFFFAOYSA-N 0 0 505.502 8.505 1 10 KKCFRN Cn1cc2c(n1)CCc1c3c(c4cc([C@H]5CCCCO5)ccc4n3CC3CCCCC3)c3c(c1-2)C(=O)NC3 ZINC000049036595 562663611 /nfs/dbraw/zinc/66/36/11/562663611.db2.gz YOSNZLGNAZKSBX-HHHXNRCGSA-N 0 0 508.666 6.359 1 10 KKCFRN COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCCC(C)(C)O)n3)CC2(C)C)cc1 ZINC000049745734 562674081 /nfs/dbraw/zinc/67/40/81/562674081.db2.gz RESMEGHVZUQQTC-UHFFFAOYSA-N 0 0 561.771 6.480 1 10 KKCFRN COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCCN4CCOCC4)n3)CC2(C)C)cc1 ZINC000049746061 562674197 /nfs/dbraw/zinc/67/41/97/562674197.db2.gz PESVSVDAYZWLNJ-UHFFFAOYSA-N 0 0 588.797 5.651 1 10 KKCFRN COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(C(=O)NC[C@@H]4CCCO4)n3)CC2(C)C)cc1 ZINC000049746058 562674210 /nfs/dbraw/zinc/67/42/10/562674210.db2.gz HAWNIXNRIWUSFJ-MHZLTWQESA-N 0 0 586.781 5.849 1 10 KKCFRN Oc1ccc(Br)cc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)C1 ZINC000049775738 562679189 /nfs/dbraw/zinc/67/91/89/562679189.db2.gz YLLCRQLKRRVTRD-DEOSSOPVSA-N 0 0 537.483 5.539 1 10 KKCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(C)COC(=O)COCCOC(=O)COc1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000049778206 562681018 /nfs/dbraw/zinc/68/10/18/562681018.db2.gz RXEANRCXCKRILV-WJOKGBTCSA-N 0 0 654.594 5.591 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2CC(c3cc(C)cc(I)c3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049781295 562682883 /nfs/dbraw/zinc/68/28/83/562682883.db2.gz CIQFMXOTHKPBER-NRFANRHFSA-N 0 0 652.389 8.157 1 10 KKCFRN CN(C)c1ccc(/C=c2\sc3nc4nc5c(c(-c6ccc(Cl)cc6)c4c(=O)n3c2=O)CCC/C5=C/c2ccc(Cl)cc2)cc1 ZINC000049833186 562687562 /nfs/dbraw/zinc/68/75/62/562687562.db2.gz QNQCCTAURFGNHD-MZYWVZRRSA-N 0 0 637.592 7.129 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccc(N4C(=O)c5ccccc5NC45CCCCC5)cc3)=NN2c2ccccc2)cc1 ZINC000049853529 562688968 /nfs/dbraw/zinc/68/89/68/562688968.db2.gz DDYULROLSNNWBD-UMSFTDKQSA-N 0 0 555.726 7.841 1 10 KKCFRN COCc1c(Br)c(Br)c(O)c(O)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000049867533 562689544 /nfs/dbraw/zinc/68/95/44/562689544.db2.gz QWSVGLPQWGUHDB-UHFFFAOYSA-N 0 0 591.872 5.296 1 10 KKCFRN Cc1c(C)c(NS(=O)(=O)c2ccc(Br)cc2)c(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1 ZINC000049872208 562689853 /nfs/dbraw/zinc/68/98/53/562689853.db2.gz IJGUUSUQXJIQDB-UHFFFAOYSA-N 0 0 602.370 6.047 1 10 KKCFRN COc1ccc(N2CCN(c3nc4c(ncn4C)c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053239429 562696740 /nfs/dbraw/zinc/69/67/40/562696740.db2.gz ZSBKAXWSCUGKFO-UHFFFAOYSA-N 0 0 513.690 5.827 1 10 KKCFRN COc1ccc(N2CCN(c3nc4nc(C)n(C)c4c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053239452 562696767 /nfs/dbraw/zinc/69/67/67/562696767.db2.gz NHPMSJGFXUIGKO-UHFFFAOYSA-N 0 0 527.717 6.135 1 10 KKCFRN Cc1ccc(C2=NN[C@@H](c3cc(Cc4ccc(O)c([C@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3O)C2)cc1 ZINC000071294481 562716947 /nfs/dbraw/zinc/71/69/47/562716947.db2.gz DJXTZOPWHVAQFS-FIRIVFDPSA-N 0 0 516.645 6.183 1 10 KKCFRN Oc1ccc(Cc2ccc(O)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000071294994 562717097 /nfs/dbraw/zinc/71/70/97/562717097.db2.gz INMQHLIMMGRRJC-ISILISOKSA-N 0 0 557.481 6.873 1 10 KKCFRN Cc1ccc(-c2nc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)ncc2-c2ccc(O)c(O)c2)cc1 ZINC000071319023 562718678 /nfs/dbraw/zinc/71/86/78/562718678.db2.gz OJFKZNKIUPBQDL-UHFFFAOYSA-N 0 0 517.589 5.041 1 10 KKCFRN CCC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000072123476 562724724 /nfs/dbraw/zinc/72/47/24/562724724.db2.gz PPISYKZEUFNMRB-IQGXZWDMSA-N 0 0 719.674 5.967 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O[C@@H](c5ccc(F)cc5F)[C@H]5CO[C@H](Cn6cncn6)C5)cc4)CC3)cc2)c1=O ZINC000072128561 562726071 /nfs/dbraw/zinc/72/60/71/562726071.db2.gz HFXOHCFJBALMPL-IRVIHZCFSA-N 0 0 670.765 5.427 1 10 KKCFRN CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1 ZINC000072179765 562732361 /nfs/dbraw/zinc/73/23/61/562732361.db2.gz ASDLWBSDLJPGLD-UHFFFAOYSA-N 0 0 610.780 6.080 1 10 KKCFRN Cc1c([C@@H](c2cccc(Cl)c2)C2O[C@@H]3C(=C2C)C(=O)C(=O)c2c4c(ccc23)C(C)(C)CCC4)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000072185767 562732970 /nfs/dbraw/zinc/73/29/70/562732970.db2.gz DZAQEUPJBGFLJC-OGVYJSFESA-N 0 0 713.270 10.074 1 10 KKCFRN CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2-c2noc(-c3cccc(O)c3O)n2)cc1 ZINC000073311961 562737920 /nfs/dbraw/zinc/73/79/20/562737920.db2.gz CYEAIXZWXLZLRP-UHFFFAOYSA-N 0 0 500.986 6.678 1 10 KKCFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3Cl)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082170905 562741572 /nfs/dbraw/zinc/74/15/72/562741572.db2.gz JPTYRQOYOGPYKK-FPMZXNSHSA-N 0 0 662.522 7.067 1 10 KKCFRN O=[N+]([O-])c1ccc2c(c1)nc1ccccc1c2Nc1ccccc1-c1ccccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc21 ZINC000082182108 562742109 /nfs/dbraw/zinc/74/21/09/562742109.db2.gz ISSSEOSGVUQSEM-UHFFFAOYSA-N 0 0 628.648 10.060 1 10 KKCFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082191556 562742715 /nfs/dbraw/zinc/74/27/15/562742715.db2.gz QALOZSDFUKQUIP-YZCUKXFTSA-N 0 0 638.629 5.668 1 10 KKCFRN Cc1cc(C)nc(Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)n1 ZINC000084603621 562744187 /nfs/dbraw/zinc/74/41/87/562744187.db2.gz SBMPBBDLMGFERB-UHFFFAOYSA-N 0 0 505.626 5.343 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084705159 562749891 /nfs/dbraw/zinc/74/98/91/562749891.db2.gz VIAJMZFCMJFWMF-UHFFFAOYSA-N 0 0 593.543 6.295 1 10 KKCFRN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCCCCCNc1c3ccccc3nc3cccc([N+](=O)[O-])c31)C(=O)OC2 ZINC000084710181 562750458 /nfs/dbraw/zinc/75/04/58/562750458.db2.gz YKAUDICJCDCEGN-PXLXIMEGSA-N 0 0 640.737 7.047 1 10 KKCFRN COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1CCCCCCCn1cc(COC(=O)Nc2ccc3cc4ccc(NC(C)=O)cc4nc3c2)nn1 ZINC000095547879 562758948 /nfs/dbraw/zinc/75/89/48/562758948.db2.gz RKOWERNRWBHJTD-UHFFFAOYSA-N 0 0 754.892 8.411 1 10 KKCFRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1ccc2c(c1)Sc1cc(N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)N=C3c3ccccc3)ccc1N2 ZINC000095551804 562760457 /nfs/dbraw/zinc/76/04/57/562760457.db2.gz IMFOPANVTCEBKO-PXDBBHOGSA-N 0 0 781.810 9.380 1 10 KKCFRN O=C1N=C(NCCCCCCCNC2=NC(=O)C(=CC=Cc3ccccc3)S2)SC1=CC=Cc1ccccc1 ZINC000095559958 562762952 /nfs/dbraw/zinc/76/29/52/562762952.db2.gz HSJIZCCMFKWZFK-FLVZTVGWSA-N 0 0 556.757 6.570 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2C3=C(C)NN(c4ccccc4)C3=Nc3c(N=Nc4ccc(Cl)cc4)c(N)nn32)[nH]1 ZINC000095560930 562763218 /nfs/dbraw/zinc/76/32/18/562763218.db2.gz FQYKVBDFYYNJQO-MONFIBCGSA-N 0 0 561.481 7.399 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3cc(Cl)sc3Cl)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000095595933 562776829 /nfs/dbraw/zinc/77/68/29/562776829.db2.gz CYNFVXWBWLUEHB-NRFANRHFSA-N 0 0 533.937 8.254 1 10 KKCFRN CCOC(=O)CN1C(=O)/C(=C(\C)c2cccc(NS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)cc4)cc3)c2)SC1=S ZINC000095612575 562785636 /nfs/dbraw/zinc/78/56/36/562785636.db2.gz WYFWVAPZDPRJJE-SWKFRHMKSA-N 0 0 774.965 5.112 1 10 KKCFRN COc1cc2c(cc1OC)[C@@H](COc1ccc(N(C)C)cc1)N(C(=O)c1cccc(Br)c1)CC2 ZINC000096271941 562793945 /nfs/dbraw/zinc/79/39/45/562793945.db2.gz UOQQPIUNCUAJAP-XMMPIXPASA-N 0 0 525.443 5.351 1 10 KKCFRN Clc1ccc2c(c1)nccc2Nc1ccc(N[C@@H](c2nnnn2C2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000096915629 562801014 /nfs/dbraw/zinc/80/10/14/562801014.db2.gz OLWZNJGIFNYROK-MUUNZHRXSA-N 0 0 588.941 8.088 1 10 KKCFRN Clc1ccc2c(c1)nccc2Nc1ccc(N[C@H](c2nnnn2C2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000096915627 562801031 /nfs/dbraw/zinc/80/10/31/562801031.db2.gz OLWZNJGIFNYROK-NDEPHWFRSA-N 0 0 588.941 8.088 1 10 KKCFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(Br)cc1 ZINC000096915655 562801041 /nfs/dbraw/zinc/80/10/41/562801041.db2.gz CGQHZLFKXBSFLE-VWLOTQADSA-N 0 0 562.903 7.337 1 10 KKCFRN CC(=O)N1CCN(c2ccc(CN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)[C@@H](Cc3ccccc3)C(=O)N3CCN(Cc4ccc(N(C)CCO)cc4)CC3)cc2)CC1 ZINC000096929511 562803099 /nfs/dbraw/zinc/80/30/99/562803099.db2.gz JOODDBZFOAVHIT-AFSOEPDBSA-N 0 0 810.962 5.800 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000098083371 562805420 /nfs/dbraw/zinc/80/54/20/562805420.db2.gz XEUNDKINHBASMM-PGUFJCEWSA-N 0 0 589.699 7.110 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3cccc(Cl)c3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101012175 562808654 /nfs/dbraw/zinc/80/86/54/562808654.db2.gz DAGIHENIDGQFAF-NTRCVGOGSA-N 0 0 557.850 7.491 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3cccc([N+](=O)[O-])c3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101014581 562808675 /nfs/dbraw/zinc/80/86/75/562808675.db2.gz PUBPUVCQKGXRGB-ZLBRTXFESA-N 0 0 568.402 6.746 1 10 KKCFRN C/C1=C\CC[C@@]2(C)[C@H]([C@H]3[C@H](CC1)C3(C)C)[C@@H]1C=C(C=CC[C@@]3(C)CC[C@H]4C3=C[C@H](C(C)(C)O)CC[C@H]4C)[C@H]2C(=O)C1=O ZINC000103092037 562814263 /nfs/dbraw/zinc/81/42/63/562814263.db2.gz XGRMXBMPNIMLIT-YVMYIDTDSA-N 0 0 572.874 8.832 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1 ZINC000103183837 562815291 /nfs/dbraw/zinc/81/52/91/562815291.db2.gz NXERWHOBSPGHIQ-IGPUNGKJSA-N 0 0 512.849 7.468 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000103189301 562815578 /nfs/dbraw/zinc/81/55/78/562815578.db2.gz PAYUDAWWSHRJMH-IGPUNGKJSA-N 0 0 523.401 6.723 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Cl)c1 ZINC000103236083 562818768 /nfs/dbraw/zinc/81/87/68/562818768.db2.gz JTZKFJUKTHLBQW-SANMLTNESA-N 0 0 543.896 5.221 1 10 KKCFRN CC1(C)CC[C@]2(C1)CC[C@]1(C)C(=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H]4CC[C@]31C)[C@H]2O ZINC000103236188 562818867 /nfs/dbraw/zinc/81/88/67/562818867.db2.gz QSFNJGZYMRKGFE-ACCOSBQHSA-N 0 0 622.843 6.512 1 10 KKCFRN O=C1Nc2ccccc2C1=Cc1cn(CCCOc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)c2ccccc12 ZINC000103237474 562819060 /nfs/dbraw/zinc/81/90/60/562819060.db2.gz KUHYCYZPVRQIEP-PKAZHMFMSA-N 0 0 554.602 7.082 1 10 KKCFRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(NCc2ccc(Br)cc2O)cc1 ZINC000103268223 562822614 /nfs/dbraw/zinc/82/26/14/562822614.db2.gz DYZALBXSPBIDPG-UHFFFAOYSA-N 0 0 509.425 6.235 1 10 KKCFRN COc1ccc(CCNC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000103280421 562823476 /nfs/dbraw/zinc/82/34/76/562823476.db2.gz VQFQJNBNEXYRBO-HMAPJEAMSA-N 0 0 513.040 5.169 1 10 KKCFRN Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000118430374 562830300 /nfs/dbraw/zinc/83/03/00/562830300.db2.gz LNGOACYVBRPKCR-HHHXNRCGSA-N 0 0 502.507 6.415 1 10 KKCFRN COc1ccc(CNc2cc(OCc3ccccn3)ccc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000139964325 562832825 /nfs/dbraw/zinc/83/28/25/562832825.db2.gz PLUCZIQQCKKXCR-UHFFFAOYSA-N 0 0 549.023 6.192 1 10 KKCFRN CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC[C@H](C(C)(C)C)CC4)ccc2C3=O)CC1 ZINC000141364154 562833581 /nfs/dbraw/zinc/83/35/81/562833581.db2.gz HOFJNVGEDCWCDQ-ZEQRLZLVSA-N 0 0 642.884 6.136 1 10 KKCFRN CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC[C@H](C(C)(C)C)CC4)ccc2C3=O)CC1 ZINC000141363973 562833582 /nfs/dbraw/zinc/83/35/82/562833582.db2.gz HOFJNVGEDCWCDQ-PSWAGMNNSA-N 0 0 642.884 6.136 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582854 562845592 /nfs/dbraw/zinc/84/55/92/562845592.db2.gz VIGKDECOPUEODR-DWEWYUIOSA-N 0 0 657.130 6.426 1 10 KKCFRN CCc1c2cc3nc(cc4[nH]c(cc5nc(cc([nH]2)c1CC)[C@]1(CC)C5=CCC(C#N)(C#N)C1(C#N)C#N)c(CC)c4CC)C(CC)(CC)C3=O ZINC000150601578 562847265 /nfs/dbraw/zinc/84/72/65/562847265.db2.gz LGMPJEKCUPUITQ-WBCKFURZSA-N 0 0 676.869 8.707 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F ZINC000150603779 562847477 /nfs/dbraw/zinc/84/74/77/562847477.db2.gz BKKCLSKIDFDDGH-FCDQGJHFSA-N 0 0 678.092 6.411 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F ZINC000150604974 562847692 /nfs/dbraw/zinc/84/76/92/562847692.db2.gz AXZVQMNKHFMOIM-NJNXFGOHSA-N 0 0 721.708 7.273 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1F ZINC000150605237 562847751 /nfs/dbraw/zinc/84/77/51/562847751.db2.gz ZXTQQNYRMCOIST-XTCLZLMSSA-N 0 0 639.684 6.008 1 10 KKCFRN O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1ccc(Cl)cc1)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1ccc(Cl)cc1 ZINC000150630432 562848957 /nfs/dbraw/zinc/84/89/57/562848957.db2.gz KCUOUOUGPDOMNL-VDCKHNKGSA-N 0 0 863.842 8.929 1 10 KKCFRN CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000169325655 562857657 /nfs/dbraw/zinc/85/76/57/562857657.db2.gz NPSUKLHLCCMRQW-UHFFFAOYSA-N 0 0 507.465 6.518 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169326998 562857965 /nfs/dbraw/zinc/85/79/65/562857965.db2.gz JXGZWPVQZNZTBC-WVDZOPJMSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc21 ZINC000169327050 562858040 /nfs/dbraw/zinc/85/80/40/562858040.db2.gz IFYHDNAFNWCGPV-PSTIOWGYSA-N 0 0 587.565 6.169 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327070 562858064 /nfs/dbraw/zinc/85/80/64/562858064.db2.gz PUZAGNJBSXUXEW-YRVHBCJASA-N 0 0 551.532 5.324 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331347 562858953 /nfs/dbraw/zinc/85/89/53/562858953.db2.gz WMQNMIIKEGBYTM-DEXQXJORSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331343 562858959 /nfs/dbraw/zinc/85/89/59/562858959.db2.gz NZLYSILZGOBHTK-DEXQXJORSA-N 0 0 616.401 5.779 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000299823924 562883076 /nfs/dbraw/zinc/88/30/76/562883076.db2.gz BWTDHNPBRTZOAZ-KGEYNJJLSA-N 0 0 606.933 6.312 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccccc21 ZINC000299825492 562883603 /nfs/dbraw/zinc/88/36/03/562883603.db2.gz KVEWWFSHMRXNLT-XSSWQJIQSA-N 0 0 563.864 6.246 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000299827344 562884153 /nfs/dbraw/zinc/88/41/53/562884153.db2.gz YZROZPWNXCQJKR-MUBPVYAGSA-N 0 0 553.858 6.791 1 10 KKCFRN COc1ccc([C@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)N(c3cccc(OC(C)=O)c3)C2=O)cc1 ZINC000299828157 562884352 /nfs/dbraw/zinc/88/43/52/562884352.db2.gz HJCQLJJEVCREFS-NMTARAHESA-N 0 0 529.643 5.678 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000299829753 562884958 /nfs/dbraw/zinc/88/49/58/562884958.db2.gz VFHHNZUJLDLJDV-HHHXNRCGSA-N 0 0 575.785 5.523 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccc(N(C)C)cc3)SC2=S)c1 ZINC000299831109 562885460 /nfs/dbraw/zinc/88/54/60/562885460.db2.gz NOLNXQXXLBYFFG-CZSIZBGPSA-N 0 0 542.686 5.735 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc3ccc(S(N)(=O)=O)cc3s2)cc1 ZINC000299833052 562886083 /nfs/dbraw/zinc/88/60/83/562886083.db2.gz HHOZLBKKDGFEPE-JOCHJYFZSA-N 0 0 512.060 5.019 1 10 KKCFRN CC(C)(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O ZINC000299869831 562895379 /nfs/dbraw/zinc/89/53/79/562895379.db2.gz VKFYBXSTNFNKDZ-UHFFFAOYSA-N 0 0 587.738 7.074 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083438 562896800 /nfs/dbraw/zinc/89/68/00/562896800.db2.gz BRFWKYXKJCXZNI-GPMZVODXSA-N 0 0 601.717 6.996 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)N=C2c2ccccc2)cc1 ZINC000473111402 562898554 /nfs/dbraw/zinc/89/85/54/562898554.db2.gz AWYBZWZHSOYTQI-VEILYXNESA-N 0 0 538.003 6.201 1 10 KKCFRN COc1ccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000473114667 562898935 /nfs/dbraw/zinc/89/89/35/562898935.db2.gz OJSJZUVJRVIKSH-BRPDVVIDSA-N 0 0 533.584 5.556 1 10 KKCFRN O=S(=O)(NCC/C=C1/c2ccccc2Sc2ccc(Cl)cc21)c1ccc(OC(F)(F)F)cc1 ZINC000473122139 562899455 /nfs/dbraw/zinc/89/94/55/562899455.db2.gz RGKPPVDBPRFIOH-DVZOWYKESA-N 0 0 511.974 6.504 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134052 562900458 /nfs/dbraw/zinc/90/04/58/562900458.db2.gz BKADAQPMXGOROO-ZRQGMUQMSA-N 0 0 595.721 6.988 1 10 KKCFRN Cc1nn2ccc(C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136947 562901143 /nfs/dbraw/zinc/90/11/43/562901143.db2.gz VPPPLAKILVBFMD-UHFFFAOYSA-N 0 0 522.571 6.164 1 10 KKCFRN CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO[P@@](=O)(NCCCCN=[N+]=[N-])Oc1ccc(Cl)cc1 ZINC000653739234 562910066 /nfs/dbraw/zinc/91/00/66/562910066.db2.gz HNSJEPIQYOBLNQ-FXJRDRSSSA-N 0 0 632.970 5.233 1 10 KKCFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)C(=O)c2ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc2C3=O)c[nH]1)C(C)C ZINC000653812615 562913885 /nfs/dbraw/zinc/91/38/85/562913885.db2.gz GLPMAYBGMZKQMQ-CUPIEXAXSA-N 0 0 792.894 5.330 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653825222 562914357 /nfs/dbraw/zinc/91/43/57/562914357.db2.gz DSUBUDBDRUEAAT-PKODBYJRSA-N 0 0 638.596 6.306 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)SC2=S)cc1 ZINC000653899337 562917469 /nfs/dbraw/zinc/91/74/69/562917469.db2.gz BNRFYJKVFFOVOB-DNMSLHDBSA-N 0 0 584.122 7.476 1 10 KKCFRN COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCN(c3cccc(-c5nc6ccccc6n5C)c3)C4)CC2)cc1 ZINC000653915699 562917867 /nfs/dbraw/zinc/91/78/67/562917867.db2.gz ZYTAHNCIMPITHH-UHFFFAOYSA-N 0 0 563.727 5.836 1 10 KKCFRN CC(=O)Oc1c(OC(=O)Cc2ccccc2)c2c3cc(O)c(O)cc3oc2c(OC(=O)Cc2ccccc2)c1-c1ccc(O)cc1 ZINC000086047390 565171313 /nfs/dbraw/zinc/17/13/13/565171313.db2.gz YLVDTLQWSZYGIN-UHFFFAOYSA-N 0 0 618.594 6.591 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OC3CCCCC3)c2)O1 ZINC000085597291 291932407 /nfs/dbraw/zinc/93/24/07/291932407.db2.gz ZMTLBTKCQSEZKJ-UXBLOQAESA-N 0 0 570.723 7.115 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@@]2(O)CC[C@@H]3CCCC[C@@]3(c3ccc(O)c(O)c3)C2)ccc1O ZINC000085626207 291974555 /nfs/dbraw/zinc/97/45/55/291974555.db2.gz ZQXVTDXYRIGESQ-JWWXGIQJSA-N 0 0 558.715 6.921 1 10 biogenic,in-vitro KKCFRN Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000001658813 561678942 /nfs/dbraw/zinc/67/89/42/561678942.db2.gz OYVBSGFRWFEXHT-UHFFFAOYSA-N 0 0 502.658 8.178 1 10 KKCFRN COc1cc([C@H]2CC(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000005538413 561696241 /nfs/dbraw/zinc/69/62/41/561696241.db2.gz NLOULXNEGAPOCR-ZRZAMGCNSA-N 0 0 560.599 5.034 1 10 KKCFRN Nc1ccc(Oc2ccc(C34CC5CC(C3)CC(c3ccc(Oc6ccc(N)cc6)cc3)(C5)C4)cc2)cc1 ZINC000005596259 561697329 /nfs/dbraw/zinc/69/73/29/561697329.db2.gz IJRQWQGZNCDRLF-UHFFFAOYSA-N 0 0 502.658 8.225 1 10 KKCFRN O=C(Nc1ccc(N2C(=O)CS[C@H]2c2ccccc2O)cc1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2O)cc1 ZINC000006005029 561701304 /nfs/dbraw/zinc/70/13/04/561701304.db2.gz GNLUEPSZHATBLB-JSOSNVBQSA-N 0 0 583.691 5.907 1 10 KKCFRN O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000005810896 561698463 /nfs/dbraw/zinc/69/84/63/561698463.db2.gz CORRYZDDSQEIDL-XAHDOWKMSA-N 0 0 554.437 8.608 1 10 KKCFRN O=C1c2cccnc2C(=O)c2c1nc1ccccc1c2-c1ccc2c3ccccc3nc3c2c1-c1ncccc1C3=O ZINC000005922348 561700124 /nfs/dbraw/zinc/70/01/24/561700124.db2.gz VJZVLHAOKCPSFM-UHFFFAOYSA-N 0 0 540.538 6.380 1 10 KKCFRN CCOC(=O)CCC1(CCC(=O)OCC)CCCCCCCCC(CCC(=O)OCC)(CCC(=O)OCC)C(=O)C1=O ZINC000005955684 561700632 /nfs/dbraw/zinc/70/06/32/561700632.db2.gz QCUSEJIVOYKGNV-UHFFFAOYSA-N 0 0 596.758 5.605 1 10 KKCFRN C[N@H+](CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)Cc1cccs1 ZINC000013782289 561729707 /nfs/dbraw/zinc/72/97/07/561729707.db2.gz CJUIGINIVZCIGU-NDEPHWFRSA-N 0 0 514.647 5.598 1 10 KKCFRN CCOP(=O)(CCC[C@@H](O)CNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1)OCC ZINC000017258669 561754472 /nfs/dbraw/zinc/75/44/72/561754472.db2.gz VMASUNXECJSGQE-CBEZKNFISA-N 0 0 505.343 5.600 1 10 KKCFRN COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026292634 561780748 /nfs/dbraw/zinc/78/07/48/561780748.db2.gz AWFWBKQUFWRGAM-UHFFFAOYSA-N 0 0 616.468 5.780 1 10 KKCFRN CCCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc32)c(OC)c1)S(C)(=O)=O ZINC000026838585 561825065 /nfs/dbraw/zinc/82/50/65/561825065.db2.gz KHLUUPZKKJDSOT-UHFFFAOYSA-N 0 0 522.583 5.450 1 10 KKCFRN CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(=O)NCCCC)cccc32)c(OC)c1 ZINC000026850348 561827141 /nfs/dbraw/zinc/82/71/41/561827141.db2.gz NJQOJGVRUHQQDR-UHFFFAOYSA-N 0 0 548.709 6.602 1 10 KKCFRN C[NH+](C)CCOc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026973873 561830658 /nfs/dbraw/zinc/83/06/58/561830658.db2.gz FNNIXABPACGYHW-UHFFFAOYSA-N 0 0 547.567 5.601 1 10 KKCFRN O=C(Oc1cccc2c1C(=O)c1cccc(OC(=O)c3ccccc3Cl)c1C2=O)c1ccccc1Cl ZINC000026977077 561831032 /nfs/dbraw/zinc/83/10/32/561831032.db2.gz NLMPQECEJXFGLV-UHFFFAOYSA-N 0 0 517.320 6.207 1 10 KKCFRN Cc1nc(-c2c3ccccc3nc3ccccc32)sc1CCOC(=O)c1ccc(NN=Nc2ccc(C(=O)OCCN3CCOCC3)cc2)cc1 ZINC000027103932 561839601 /nfs/dbraw/zinc/83/96/01/561839601.db2.gz RREBREOGXQVBFW-UHFFFAOYSA-N 0 0 700.821 7.819 1 10 KKCFRN O=C(CC(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21)Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000027313904 561851156 /nfs/dbraw/zinc/85/11/56/561851156.db2.gz ONEUABSODFWDCC-WQVHNPAPSA-N 0 0 708.815 6.475 1 10 KKCFRN CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(N(Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000027429102 561858959 /nfs/dbraw/zinc/85/89/59/561858959.db2.gz MVDPZLHRYMJMNW-BHVANESWSA-N 0 0 610.843 7.264 1 10 KKCFRN Cc1ccc[n+]2c1N[C@@H](c1ccccc1)C2=COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000027560155 561870519 /nfs/dbraw/zinc/87/05/19/561870519.db2.gz IZHHCHSCRMEULY-TWJUONSBSA-O 0 0 582.680 5.455 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027993560 561893437 /nfs/dbraw/zinc/89/34/37/561893437.db2.gz VMUOFFFWZGGOFF-IQGXZWDMSA-N 0 0 704.659 6.182 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1CC1CC1 ZINC000028010788 561896331 /nfs/dbraw/zinc/89/63/31/561896331.db2.gz JITPNAAGRBZQKO-CYEXUTLASA-N 0 0 703.631 5.016 1 10 KKCFRN CC[C@@H](C)n1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028010762 561896342 /nfs/dbraw/zinc/89/63/42/561896342.db2.gz PZNJQMTUJHPJAN-GETQSERPSA-N 0 0 719.674 5.886 1 10 KKCFRN COc1ccc(S(=O)(=O)N(CC(=O)N=NC2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1OC ZINC000028529053 561933544 /nfs/dbraw/zinc/93/35/44/561933544.db2.gz QSNXITWGYAHDLF-BYYHNAKLSA-N 0 0 528.974 5.050 1 10 KKCFRN Cc1ccc(N(CC(=O)N=NC2c3ccccc3NC2=O)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000028563066 561935397 /nfs/dbraw/zinc/93/53/97/561935397.db2.gz DRLZUALDUDJWNO-QNEJGDQOSA-N 0 0 524.602 6.355 1 10 KKCFRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC(=S)N1CCc1ccccc1 ZINC000028703324 561947728 /nfs/dbraw/zinc/94/77/28/561947728.db2.gz XZSOHMVUGKMAGU-MWAVMZGNSA-N 0 0 537.706 7.289 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2cccc(CO)c2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704546 561948741 /nfs/dbraw/zinc/94/87/41/561948741.db2.gz SOSISBZFJRTYCA-BHVANESWSA-N 0 0 722.842 6.564 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CC2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704604 561948782 /nfs/dbraw/zinc/94/87/82/561948782.db2.gz GDULZXLSGWGOOL-HKBQPEDESA-N 0 0 599.731 7.052 1 10 KKCFRN O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccc(-c4ccccc4)cc3)cc3nc4ccccc4n3c21 ZINC000028819591 561965573 /nfs/dbraw/zinc/96/55/73/561965573.db2.gz XCVOBDZXSDXTNL-KNTRCKAVSA-N 0 0 571.636 7.980 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000028822666 561967431 /nfs/dbraw/zinc/96/74/31/561967431.db2.gz HZHYBSWXMGEFJV-UHFFFAOYSA-N 0 0 570.437 8.616 1 10 KKCFRN CCN(CC)c1ccc([C@@H]2SCC(=O)N2c2ccc(NC(=O)c3ccc(N4C(=O)CS[C@H]4c4ccc(N(CC)CC)cc4)cc3)cc2)cc1 ZINC000029493255 562029329 /nfs/dbraw/zinc/02/93/29/562029329.db2.gz DPCFACMOQFGJRP-YDAXCOIMSA-N 0 0 693.939 8.189 1 10 KKCFRN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NN2C(=O)CS[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000029565882 562034323 /nfs/dbraw/zinc/03/43/23/562034323.db2.gz AGWMFLANVAYZNX-BSFJZDRXSA-N 0 0 648.789 5.147 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3cccs3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338903 562057621 /nfs/dbraw/zinc/05/76/21/562057621.db2.gz BPLNFUAFUVFZQM-UHFFFAOYSA-N 0 0 510.623 5.653 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338920 562057690 /nfs/dbraw/zinc/05/76/90/562057690.db2.gz CXHWRPKRHUOABU-UHFFFAOYSA-N 0 0 590.581 6.749 1 10 KKCFRN C(=C/c1ccnc2ccccc12)\c1ccc(N2CCN(c3ccc(/C=C/c4ccnc5ccccc45)cc3)CC2)cc1 ZINC000038142983 562063584 /nfs/dbraw/zinc/06/35/84/562063584.db2.gz BXKUFPNXTAICPS-KAVGSWPWSA-N 0 0 544.702 8.450 1 10 KKCFRN CC(C)c1cc(C(C)C)c(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c(C(C)C)c1 ZINC000040874326 562081934 /nfs/dbraw/zinc/08/19/34/562081934.db2.gz DHLPIBQSLUSDLI-NAVDRQBBSA-N 0 0 507.671 6.041 1 10 KKCFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000042805710 562089255 /nfs/dbraw/zinc/08/92/55/562089255.db2.gz VEOYEUQHJXNXHF-YIEOTUJOSA-N 0 0 620.871 7.789 1 10 KKCFRN Cc1cc(NCC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040918410 562084359 /nfs/dbraw/zinc/08/43/59/562084359.db2.gz XVBXBIRGOPGSAC-QHCPKHFHSA-N 0 0 511.365 5.782 1 10 KKCFRN Cc1c(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000040938022 562085421 /nfs/dbraw/zinc/08/54/21/562085421.db2.gz IGXSKWRNDSMIJI-UHFFFAOYSA-N 0 0 513.468 5.829 1 10 KKCFRN CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1-c1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](O)C3 ZINC000095918871 560054819 /nfs/dbraw/zinc/05/48/19/560054819.db2.gz YQKYWTOACOWENX-HPMURQQHSA-N 0 0 506.595 5.886 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c(CCC(C)C)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596370 560063444 /nfs/dbraw/zinc/06/34/44/560063444.db2.gz WMHIAPGLLVEPLG-AFONHIOKSA-N 0 0 534.673 5.880 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)CC[C@@H]2CCCCC)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627614 560068808 /nfs/dbraw/zinc/06/88/08/560068808.db2.gz MMQRFZRBCRPWIF-TWLDFKIOSA-N 0 0 559.788 6.981 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@@]23CCCC[C@@H]2CCc2c(O)c(O)ccc23)ccc1O ZINC000085626189 560069253 /nfs/dbraw/zinc/06/92/53/560069253.db2.gz KEGJBMJPAVLXFC-QPLDIESESA-N 0 0 558.715 6.703 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OC)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625513 560069325 /nfs/dbraw/zinc/06/93/25/560069325.db2.gz UMDXXUQSRFLUDK-UMXIMWEHSA-N 0 0 520.622 5.052 1 10 biogenic,in-vitro KKCFRN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)CN4)cc(OC2CCCC2)c1O ZINC000085567618 560070398 /nfs/dbraw/zinc/07/03/98/560070398.db2.gz MMYQWBZEDIQIHV-WRGVRERRSA-N 0 0 531.605 5.337 1 10 biogenic,in-vitro KKCFRN C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000044305411 562653411 /nfs/dbraw/zinc/65/34/11/562653411.db2.gz VAVKRHSGFFQRKW-APPDBDSJSA-N 0 0 604.872 8.673 1 10 KKCFRN O=C(Nc1nc(-c2ccccc2)c(C(=O)C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)s1)c1ccccc1 ZINC000044386758 562656002 /nfs/dbraw/zinc/65/60/02/562656002.db2.gz SQISBKRVYDGTNF-UHFFFAOYSA-N 0 0 614.708 7.504 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2cccs2)N(c2ccc(OC)cc2)[C@H]1c1cccs1 ZINC000044430422 562657506 /nfs/dbraw/zinc/65/75/06/562657506.db2.gz LSSFVZDTEHZUEN-CUBQBAPOSA-N 0 0 532.687 7.059 1 10 KKCFRN Cc1ccc(C)n1-c1[nH]nc(Nc2ccccc2)c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000049052400 562663817 /nfs/dbraw/zinc/66/38/17/562663817.db2.gz CBXHPCHIRCAADU-UHFFFAOYSA-N 0 0 501.546 5.589 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCN(CCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1 ZINC000049771151 562678008 /nfs/dbraw/zinc/67/80/08/562678008.db2.gz CTELIDXCYYUVJZ-UHFFFAOYSA-N 0 0 660.774 5.837 1 10 KKCFRN CCCCc1nc(Cl)c([C@H]2CC(c3cc(C)cc(Br)c3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049793440 562684840 /nfs/dbraw/zinc/68/48/40/562684840.db2.gz XEMDKWBGKBXSNA-OAQYLSRUSA-N 0 0 605.389 8.315 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccc(Br)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000049841363 562688269 /nfs/dbraw/zinc/68/82/69/562688269.db2.gz HNIMSEJVBNNVED-ZQWAWDFXSA-N 0 0 692.448 8.851 1 10 KKCFRN CCN(CC)c1ccc(Nc2cc(N(Cc3ccc(N(C)C)cc3)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053275003 562697007 /nfs/dbraw/zinc/69/70/07/562697007.db2.gz WSFDOKWKPQCETA-UHFFFAOYSA-N 0 0 544.103 7.025 1 10 KKCFRN COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)[C@@H]4CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]23C)CC1=O ZINC000066104238 562711652 /nfs/dbraw/zinc/71/16/52/562711652.db2.gz VDKFCMZNYZMXRF-KXMJRMFNSA-N 0 0 510.627 5.136 1 10 KKCFRN O=C(NN1C(=O)CS[C@@H]1c1ccccc1O)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000072128725 562726232 /nfs/dbraw/zinc/72/62/32/562726232.db2.gz RRNRBVAKYRMPFK-SSEXGKCCSA-N 0 0 692.389 6.202 1 10 KKCFRN Cc1cc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c(C)n1-c1cccc(-c2nn[nH]n2)c1 ZINC000073196623 562735162 /nfs/dbraw/zinc/73/51/62/562735162.db2.gz DDWPHGIECAKTCV-NDENLUEZSA-N 0 0 526.569 5.699 1 10 KKCFRN CC(=O)OC[C@@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185659 562742334 /nfs/dbraw/zinc/74/23/34/562742334.db2.gz HWYDUVYOBCHLGP-VKJAPAKBSA-N 0 0 633.079 5.031 1 10 KKCFRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@H](c3ccccc3O)C2)cc1 ZINC000082191599 562742703 /nfs/dbraw/zinc/74/27/03/562742703.db2.gz IJNQOTWXYWEIOI-SANMLTNESA-N 0 0 651.679 5.166 1 10 KKCFRN CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(=O)Nc2ccncc2)cc1C ZINC000084603186 562744129 /nfs/dbraw/zinc/74/41/29/562744129.db2.gz WWDBBASBYRYLLN-UHFFFAOYSA-N 0 0 532.438 6.358 1 10 KKCFRN CC(C)Cn1c2ccc(Nc3nccc(C(F)(F)F)n3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000084614705 562744403 /nfs/dbraw/zinc/74/44/03/562744403.db2.gz MHDAGXYQIWJNMU-UHFFFAOYSA-N 0 0 545.569 5.745 1 10 KKCFRN Cc1cn(-c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4cccn4C)c3)cc(C(F)(F)F)c2)cn1 ZINC000084705504 562749888 /nfs/dbraw/zinc/74/98/88/562749888.db2.gz AYOQLZRIQOKDAI-NTFVMDSBSA-N 0 0 582.586 7.027 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084706364 562749994 /nfs/dbraw/zinc/74/99/94/562749994.db2.gz HYGDBXGERZVDAZ-UHFFFAOYSA-N 0 0 565.489 5.514 1 10 KKCFRN O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000084757261 562752372 /nfs/dbraw/zinc/75/23/72/562752372.db2.gz PQQZOIJWUFQEAC-UHFFFAOYSA-N 0 0 606.414 5.866 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)C(=C3C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000095554793 562761380 /nfs/dbraw/zinc/76/13/80/562761380.db2.gz GKRDUCWCNLCJNF-QTSZRPRMSA-N 0 0 572.488 6.309 1 10 KKCFRN Nc1sc(-c2ccc(Cl)cc2)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095557327 562762094 /nfs/dbraw/zinc/76/20/94/562762094.db2.gz GUUXTQKCXGDBQQ-UHFFFAOYSA-N 0 0 606.497 7.756 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc4sc5ccccc5c4c3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095559425 562762720 /nfs/dbraw/zinc/76/27/20/562762720.db2.gz GEVLYPDQOWVNFR-UHFFFAOYSA-N 0 0 610.182 10.236 1 10 KKCFRN O=C1N=C(NCCCCCCCNC2=NC(=O)C(=Cc3ccccc3)S2)SC1=Cc1ccccc1 ZINC000095561055 562763246 /nfs/dbraw/zinc/76/32/46/562763246.db2.gz FDRZMDZQBBOENY-RSFSRFMPSA-N 0 0 504.681 5.457 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3cccc(Br)n3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095564067 562764114 /nfs/dbraw/zinc/76/41/14/562764114.db2.gz OFGSDOHQOAJVHD-UHFFFAOYSA-N 0 0 583.917 8.025 1 10 KKCFRN CCOC(=O)C1=CC[C@H](c2ccc(N(CC)CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095603058 562780360 /nfs/dbraw/zinc/78/03/60/562780360.db2.gz NRQRKHUSOKASMQ-IHLOFXLRSA-N 0 0 577.703 6.116 3 10 KKCFRN COc1ccc(NC2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)S2)c(OC)c1 ZINC000096905745 562798612 /nfs/dbraw/zinc/79/86/12/562798612.db2.gz XBZUSMRHZKQTMW-OYKKKHCWSA-N 0 0 561.461 6.401 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1 ZINC000096922251 562801720 /nfs/dbraw/zinc/80/17/20/562801720.db2.gz GGEJLTWTGNPFFA-HKBQPEDESA-N 0 0 722.747 7.010 1 10 KKCFRN CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccc(C(C)C)cc5)n(-c5ccc(F)cc5F)c4C)CC3)c(F)c2)C(=O)O1 ZINC000096922240 562801742 /nfs/dbraw/zinc/80/17/42/562801742.db2.gz QNWMVTVJCCIMFY-HKBQPEDESA-N 0 0 659.753 6.777 1 10 KKCFRN COc1cc(C=Cc2noc(CC=C3C=CC(=O)C(OC)=C3)c2N=Nc2ccc(S(N)(=O)=O)cc2)ccc1O ZINC000096927066 562802560 /nfs/dbraw/zinc/80/25/60/562802560.db2.gz VJOOLOKIHNAXMD-IDOIBIPSSA-N 0 0 548.577 5.507 1 10 KKCFRN CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5cccc(Cl)c5)n(-c5ccccc5F)c4C)CC3)c(F)c2)C(=O)O1 ZINC000096929368 562803071 /nfs/dbraw/zinc/80/30/71/562803071.db2.gz ZNBGMORGBNPPMG-NDEPHWFRSA-N 0 0 634.127 6.168 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3cccc(O)c3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101016897 562808688 /nfs/dbraw/zinc/80/86/88/562808688.db2.gz MIEBKPIXVYYIAA-ZLBRTXFESA-N 0 0 539.404 6.543 1 10 KKCFRN O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1)[n+]1[n-]c(=S)sc1-c1ccc([N+](=O)[O-])cc1 ZINC000103201700 562816125 /nfs/dbraw/zinc/81/61/25/562816125.db2.gz XGPYZKAOAKQFPL-UHFFFAOYSA-O 0 0 563.644 6.337 1 10 KKCFRN O=C(c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1)[n+]1[n-]c(=S)sc1-c1cccc([N+](=O)[O-])c1 ZINC000103203057 562816190 /nfs/dbraw/zinc/81/61/90/562816190.db2.gz SWNPGKPRIOLUFR-UHFFFAOYSA-O 0 0 564.628 5.349 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccccc2[N+](=O)[O-])cc1 ZINC000103208914 562816580 /nfs/dbraw/zinc/81/65/80/562816580.db2.gz XBHZSMFKCSLBGB-NVQSTNCTSA-N 0 0 529.984 7.090 1 10 KKCFRN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000103210118 562816651 /nfs/dbraw/zinc/81/66/51/562816651.db2.gz YGLSXTCXHXBGBZ-HHHXNRCGSA-N 0 0 598.641 5.078 1 10 KKCFRN O=C(N[C@H](c1ccccc1)c1cc2ccccc2cc1O)N[C@H](c1ccccc1)c1cc2ccccc2cc1O ZINC000103216640 562817160 /nfs/dbraw/zinc/81/71/60/562817160.db2.gz FQYFZCXHRMDVGT-KKLWWLSJSA-N 0 0 524.620 7.582 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(Cl)cc1 ZINC000103236080 562818774 /nfs/dbraw/zinc/81/87/74/562818774.db2.gz XREINAJFMKFZGM-AREMUKBSSA-N 0 0 543.896 5.221 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582232 562845515 /nfs/dbraw/zinc/84/55/15/562845515.db2.gz JIXCEOPOYUFFSV-PRDAIKMNSA-N 0 0 640.675 5.912 1 10 KKCFRN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2c3c(C)nn(-c4ccccc4)c3OC3=C2C(=O)N[C@](C)(c2cc(Cl)ccc2O)N3)cc1 ZINC000150582822 562845609 /nfs/dbraw/zinc/84/56/09/562845609.db2.gz IBHLSBQRYPPZFM-VZWFPNHASA-N 0 0 671.157 6.729 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2c(Cl)cc([N+](=O)[O-])c(Cl)c2Cl)cc1 ZINC000150586691 562845871 /nfs/dbraw/zinc/84/58/71/562845871.db2.gz WPBNOMVQNVFOAC-JEIPZWNWSA-N 0 0 633.319 9.051 1 10 KKCFRN COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F ZINC000150604224 562847594 /nfs/dbraw/zinc/84/75/94/562847594.db2.gz IYUADTZSDXXQPS-DARPEHSRSA-N 0 0 722.696 5.789 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1F ZINC000150605229 562847741 /nfs/dbraw/zinc/84/77/41/562847741.db2.gz RSJQQGAPVMIJRS-HPNDGRJYSA-N 0 0 653.711 6.317 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1F ZINC000150605222 562847754 /nfs/dbraw/zinc/84/77/54/562847754.db2.gz HBWDOFMWXFSQKQ-LKUDQCMESA-N 0 0 643.647 5.757 1 10 KKCFRN COC1=CC(C=Cc2cc(C=CC3=CC(=NNc4ccc(Cl)cc4)C(=O)C(OC)=C3)[nH]n2)=CC(=NNc2ccc(Cl)cc2)C1=O ZINC000150611054 562848407 /nfs/dbraw/zinc/84/84/07/562848407.db2.gz KZNLYYGPGFPJBN-CTMBVOADSA-N 0 0 641.515 10.317 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327008 562858015 /nfs/dbraw/zinc/85/80/15/562858015.db2.gz VSKJILPZORNUII-CQGGRAHPSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331330 562858963 /nfs/dbraw/zinc/85/89/63/562858963.db2.gz IOTIFNDRCHVNBK-HJWYETAXSA-N 0 0 616.401 5.779 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331346 562858981 /nfs/dbraw/zinc/85/89/81/562858981.db2.gz WMQNMIIKEGBYTM-HJWYETAXSA-N 0 0 571.950 5.669 1 10 KKCFRN Cc1cc(OCc2ccc(I)cc2)c2c(c1)C(=O)c1cccc(OCc3ccc(I)cc3)c1C2=O ZINC000169343715 562861200 /nfs/dbraw/zinc/86/12/00/562861200.db2.gz MJUWTLQYFCGJGC-UHFFFAOYSA-N 0 0 686.283 7.138 1 10 KKCFRN Cc1cccc(/C=C2/SC(N3CCC[C@H]3C(=O)Nc3ccc4ncnc(Nc5cccc(Cl)c5)c4c3)=NC2=O)n1 ZINC000206901156 562876584 /nfs/dbraw/zinc/87/65/84/562876584.db2.gz ZOAWPYPFXKPVCV-SFFGGSCWSA-N 0 0 570.078 5.804 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000299827347 562884139 /nfs/dbraw/zinc/88/41/39/562884139.db2.gz YZROZPWNXCQJKR-XSSWQJIQSA-N 0 0 553.858 6.791 1 10 KKCFRN COc1cc(-c2c3c(c(=O)oc4c3cc(OC)c([O-])c4C[NH+]3CCCCC3)n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000299828990 562884659 /nfs/dbraw/zinc/88/46/59/562884659.db2.gz YOUOEPOIFKGZOT-UHFFFAOYSA-N 0 0 596.636 6.148 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc3ccc(S(N)(=O)=O)cc3s2)cc1 ZINC000299833054 562886096 /nfs/dbraw/zinc/88/60/96/562886096.db2.gz HHOZLBKKDGFEPE-QFIPXVFZSA-N 0 0 512.060 5.019 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473089643 562897445 /nfs/dbraw/zinc/89/74/45/562897445.db2.gz SJWQLZUVUCXLOS-GPMZVODXSA-N 0 0 617.785 7.464 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2ccc(C)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000473090054 562897494 /nfs/dbraw/zinc/89/74/94/562897494.db2.gz UNNOJENDCNIITC-UZNNEEJFSA-N 0 0 548.683 7.553 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)N=C2c2ccccc2)cc1 ZINC000473111521 562898594 /nfs/dbraw/zinc/89/85/94/562898594.db2.gz BJYWRQNXDNLTBY-USHMODERSA-N 0 0 538.003 6.201 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134423 562900552 /nfs/dbraw/zinc/90/05/52/562900552.db2.gz CDLRVIRJWNRYQZ-XYSSTBGYSA-N 0 0 570.114 7.624 1 10 KKCFRN COc1ccc(C[C@H]2c3ccc(N4CCCCC4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474602417 562905175 /nfs/dbraw/zinc/90/51/75/562905175.db2.gz BHKCPSGYZVNRJN-LJAQVGFWSA-N 0 0 513.682 5.152 1 10 KKCFRN O=C1Nc2ccccc2/C1=C/c1cn(CC(O)Cn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)c2ccccc12 ZINC000653737698 562909840 /nfs/dbraw/zinc/90/98/40/562909840.db2.gz BNNUSMGZUFNNHO-VYTBREFCSA-N 0 0 576.656 6.643 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653825223 562914351 /nfs/dbraw/zinc/91/43/51/562914351.db2.gz DSUBUDBDRUEAAT-XKXZHMCDSA-N 0 0 638.596 6.306 1 10 KKCFRN O[C@@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653848330 562915344 /nfs/dbraw/zinc/91/53/44/562915344.db2.gz VHAKMNQMXMWYCC-QGZVFWFLSA-N 0 0 626.330 7.178 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(Cl)cc3)SC2=S)cc1 ZINC000653899389 562917505 /nfs/dbraw/zinc/91/75/05/562917505.db2.gz PBKPEKUXDNXWTO-ORLXONFSSA-N 0 0 568.507 6.976 1 10 KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@H]5CCC[C@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596353 565155421 /nfs/dbraw/zinc/15/54/21/565155421.db2.gz MJCUTYPTWFQYBB-MASSUGNDSA-N 0 0 614.803 7.756 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCC2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625479 565159007 /nfs/dbraw/zinc/15/90/07/565159007.db2.gz BWOFKWZFVMPERV-CYTLCNBWSA-N 0 0 640.773 7.425 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H]2Cc3ccnc(c3)Nc3ccc4cc(O)cc5c4c3[C@H](CC5)C[C@@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O ZINC000085625722 565159202 /nfs/dbraw/zinc/15/92/02/565159202.db2.gz UXSNDFYDLRJKTA-ADYQGLIKSA-N 0 0 690.793 7.147 1 10 biogenic,in-vitro KKCFRN CC[C@@H](c1ccnc(Nc2ccc3cc(O)ccc3c2)c1)[C@H](C(=O)CCc1cc(O)c(O)c(OC)c1)[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625786 565159503 /nfs/dbraw/zinc/15/95/03/565159503.db2.gz IIURKDCPVADHDM-TVPNSHQNSA-N 0 0 666.771 7.123 1 10 biogenic,in-vitro KKCFRN O=C(Cc1ccccc1)Oc1c2c3cc(O)c(O)cc3oc2c(OC(=O)c2ccc(O)cc2)c(-c2ccc(O)cc2)c1OC(=O)Cc1ccccc1 ZINC000086047387 565171406 /nfs/dbraw/zinc/17/14/06/565171406.db2.gz XCEZKLQQNIQRPB-UHFFFAOYSA-N 0 0 696.664 7.591 1 10 biogenic,in-vitro KKCFRN CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C\c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937235 571848172 /nfs/dbraw/zinc/84/81/72/571848172.db2.gz ZXDDRZYEBDQKAY-GDGFEYTASA-N 0 0 562.835 9.310 1 10 endogenous,in-man KKCFRN CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597251 291904264 /nfs/dbraw/zinc/90/42/64/291904264.db2.gz JHOUKAAIPWJJPF-QXIHQKPUSA-N 0 0 591.701 6.316 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccnc(N)c3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627523 291933866 /nfs/dbraw/zinc/93/38/66/291933866.db2.gz WBCUMSCEEYXKQM-BTIIJPOSSA-N 0 0 595.781 5.478 1 10 biogenic,in-vitro KKCFRN CCCCCc1cc([C@@H]2CC[C@H]3[C@@H](O)[C@@H]4C=Cc5c(OC)c(O)c(O)c(CO)c5[C@H]4O[C@H]3C2)ccc1O ZINC000085596376 291935752 /nfs/dbraw/zinc/93/57/52/291935752.db2.gz LUGURDLVTRZJMD-AWWRQYCKSA-N 0 0 510.627 5.065 1 10 biogenic,in-vitro KKCFRN COc1cc(C[C@H](CCCCC2CCCC2)[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)ccc1O ZINC000085597261 291970337 /nfs/dbraw/zinc/97/03/37/291970337.db2.gz BMGNVNDNECTLOQ-JTUJQKDUSA-N 0 0 647.809 7.590 1 10 biogenic,in-vitro KKCFRN O=S(=O)(Nc1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1 ZINC000000921951 561675511 /nfs/dbraw/zinc/67/55/11/561675511.db2.gz ZIMPXBHJJUDPCH-UHFFFAOYSA-N 0 0 526.250 5.902 1 10 KKCFRN O=C1CS[C@H](c2ccccc2O)N1c1ccc(-c2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000001645215 561678218 /nfs/dbraw/zinc/67/82/18/561678218.db2.gz TYHGMDHBJYGUHH-PGUFJCEWSA-N 0 0 567.670 7.204 1 10 KKCFRN CS[C@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862070 561679833 /nfs/dbraw/zinc/67/98/33/561679833.db2.gz LKPBYJVYDZDMCT-BVAGGSTKSA-N 0 0 558.485 5.778 1 10 KKCFRN COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 ZINC000002935890 561681210 /nfs/dbraw/zinc/68/12/10/561681210.db2.gz GWUPKQQJJRUFIC-DVECYGJZSA-N 0 0 515.791 5.519 1 10 KKCFRN Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 ZINC000002936817 561681293 /nfs/dbraw/zinc/68/12/93/561681293.db2.gz HFNGYYIRICQICP-MBSDFSHPSA-N 0 0 503.755 5.650 1 10 KKCFRN CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000004213619 561694276 /nfs/dbraw/zinc/69/42/76/561694276.db2.gz YPJNBOZLRNFTJN-HKFHRXRESA-N 0 0 691.620 5.187 1 10 KKCFRN O=[N+]([O-])c1ccc2c(c1)nc1ccccc1c2NCCCCCCCCNc1c2ccccc2nc2cc([N+](=O)[O-])ccc21 ZINC000005439263 561695881 /nfs/dbraw/zinc/69/58/81/561695881.db2.gz JHKKUZHIOIWYMN-UHFFFAOYSA-N 0 0 588.668 8.770 1 10 KKCFRN Nc1ccc(Oc2ccc(C34CC5C6CC7(c8ccc(Oc9ccc(N)cc9)cc8)CC5C(C3)C(C7)C6C4)cc2)cc1 ZINC000005596258 561697278 /nfs/dbraw/zinc/69/72/78/561697278.db2.gz GNFVTFLSFCYAML-UHFFFAOYSA-N 0 0 554.734 8.717 1 10 KKCFRN COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(C)c2)c1-c1ccccc1 ZINC000005809100 561698380 /nfs/dbraw/zinc/69/83/80/561698380.db2.gz UXAGMDVSEDKKFA-XAHDOWKMSA-N 0 0 529.600 7.619 1 10 KKCFRN Cc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000005832998 561698890 /nfs/dbraw/zinc/69/88/90/561698890.db2.gz MJQAMSWGLOTTNK-JEIPZWNWSA-N 0 0 544.571 7.518 1 10 KKCFRN CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1 ZINC000005832963 561698946 /nfs/dbraw/zinc/69/89/46/561698946.db2.gz NGNIXKXUARQBOI-ULDVOPSXSA-N 0 0 564.045 8.354 1 10 KKCFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829570 561708537 /nfs/dbraw/zinc/70/85/37/561708537.db2.gz WEXOJPXJSPZJOL-ITNKIYFISA-N 0 0 651.735 5.084 3 10 KKCFRN CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(=O)n(-c5ccccc5)[n-]4)c3)cc2C(F)(F)F)CC1 ZINC000022952973 561761283 /nfs/dbraw/zinc/76/12/83/561761283.db2.gz MBLVNAVFZKEUDV-UHFFFAOYSA-N 0 0 606.649 5.135 3 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000026171910 561770037 /nfs/dbraw/zinc/77/00/37/561770037.db2.gz VMUOFFFWZGGOFF-GLKJKGQSSA-N 0 0 704.659 6.182 1 10 KKCFRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5cccc6ccccc65)cc4)CC3)c2cc1OC ZINC000026820418 561820998 /nfs/dbraw/zinc/82/09/98/561820998.db2.gz YXIALFBGNGIPRI-UHFFFAOYSA-N 0 0 535.604 5.947 1 10 KKCFRN CCc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027985879 561892252 /nfs/dbraw/zinc/89/22/52/561892252.db2.gz NALHWDWTFOPHLC-ANHUGMMASA-N 0 0 676.605 5.300 1 10 KKCFRN CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999061 561894420 /nfs/dbraw/zinc/89/44/20/561894420.db2.gz DLECPBFJNXSKOV-KUFVUHJUSA-N 0 0 704.659 5.930 1 10 KKCFRN CCCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999358 561894449 /nfs/dbraw/zinc/89/44/49/561894449.db2.gz MLQXIYHWKWYJJQ-PZSMLTKBSA-N 0 0 718.686 6.320 1 10 KKCFRN Cc1nn(C(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000028001290 561894798 /nfs/dbraw/zinc/89/47/98/561894798.db2.gz CSYHOJIMPTWHOW-BNHMMOKISA-N 0 0 704.659 6.101 1 10 KKCFRN CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028005739 561895487 /nfs/dbraw/zinc/89/54/87/561895487.db2.gz ZNIDTDMXFOEMHX-KAODMTDESA-N 0 0 676.605 5.231 1 10 KKCFRN CC[C@@H](C)n1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028010745 561896346 /nfs/dbraw/zinc/89/63/46/561896346.db2.gz PZNJQMTUJHPJAN-WMVTYLGOSA-N 0 0 719.674 5.886 1 10 KKCFRN COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1 ZINC000028569227 561937936 /nfs/dbraw/zinc/93/79/36/561937936.db2.gz OFOFRPIVJXOQCU-UHFFFAOYSA-N 0 0 530.454 6.746 1 10 KKCFRN CC(C)(C)OC(=O)NCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000028642335 561943556 /nfs/dbraw/zinc/94/35/56/561943556.db2.gz DMMUQQPDXKDCIE-UHFFFAOYSA-N 0 0 502.655 6.858 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(O)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704563 561948743 /nfs/dbraw/zinc/94/87/43/561948743.db2.gz ZMOVOCKFIGSIMU-VOTNUIJPSA-N 0 0 657.811 7.193 1 10 KKCFRN CNC(=O)c1ccc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)cc1 ZINC000028822626 561967435 /nfs/dbraw/zinc/96/74/35/561967435.db2.gz MOTRLEMRYNFVKV-UHFFFAOYSA-N 0 0 511.366 6.432 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)NCc2ccncc2)c1 ZINC000028822653 561967438 /nfs/dbraw/zinc/96/74/38/561967438.db2.gz YZSFZUQXHQOHRC-UHFFFAOYSA-N 0 0 508.021 7.010 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)NCc2ccccc2)c1 ZINC000028822648 561967476 /nfs/dbraw/zinc/96/74/76/561967476.db2.gz OLKUKXJIXGLTCV-UHFFFAOYSA-N 0 0 507.033 7.615 1 10 KKCFRN CCN(CC)C(=O)c1ccc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)cc1 ZINC000028822630 561967479 /nfs/dbraw/zinc/96/74/79/561967479.db2.gz PFVRISIEEGJZEO-UHFFFAOYSA-N 0 0 553.447 7.554 1 10 KKCFRN CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000029415452 562022772 /nfs/dbraw/zinc/02/27/72/562022772.db2.gz OPFHZSVWSCMEPV-WZPDBAAASA-N 0 0 684.792 5.602 1 10 KKCFRN CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000029467495 562024695 /nfs/dbraw/zinc/02/46/95/562024695.db2.gz MOHNWVMMWCTSCG-GOJCVTOHSA-N 0 0 684.792 5.745 1 10 KKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC3CCCCC3)cccc21 ZINC000029546950 562030068 /nfs/dbraw/zinc/03/00/68/562030068.db2.gz VWCDGCJWZWJPJS-UHFFFAOYSA-N 0 0 518.639 5.574 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccc(SC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338899 562057538 /nfs/dbraw/zinc/05/75/38/562057538.db2.gz HVRPPODXOQOJHV-UHFFFAOYSA-N 0 0 550.688 6.313 1 10 KKCFRN CC(C)Cn1c2ccc(NC(=O)c3cccs3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338930 562057701 /nfs/dbraw/zinc/05/77/01/562057701.db2.gz UONXSPFZCSFDNX-UHFFFAOYSA-N 0 0 509.635 5.507 1 10 KKCFRN COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146155 562064863 /nfs/dbraw/zinc/06/48/63/562064863.db2.gz GQZAWVVXQBZNQC-LITSAYRRSA-N 0 0 525.649 5.405 3 10 KKCFRN COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146174 562064981 /nfs/dbraw/zinc/06/49/81/562064981.db2.gz DETDOTKANGDJQQ-LITSAYRRSA-N 0 0 525.649 5.405 3 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000040901255 562083534 /nfs/dbraw/zinc/08/35/34/562083534.db2.gz QGUDADANUNQPLT-CSVRKRCMSA-N 0 0 501.543 5.528 1 10 KKCFRN CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCC1CCCCC1 ZINC000085627640 560068820 /nfs/dbraw/zinc/06/88/20/560068820.db2.gz FILPPUDSBIEIGV-MFMCTBQISA-N 0 0 557.772 6.592 1 10 biogenic,in-vitro KKCFRN COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCC2)c2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625538 560069339 /nfs/dbraw/zinc/06/93/39/560069339.db2.gz OCUJRYYQBNBZCI-SHQCIBLASA-N 0 0 548.676 6.149 1 10 biogenic,in-vitro KKCFRN COc1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000043021955 562644944 /nfs/dbraw/zinc/64/49/44/562644944.db2.gz WNFINFGFRHVQSV-NDEPHWFRSA-N 0 0 567.605 6.576 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044308008 562654194 /nfs/dbraw/zinc/65/41/94/562654194.db2.gz GQVGSIVEBRSFBK-ZQWAWDFXSA-N 0 0 603.546 8.633 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000044386323 562655832 /nfs/dbraw/zinc/65/58/32/562655832.db2.gz IFXZTXQNDDDPLK-CDZUIXILSA-N 0 0 589.519 8.243 1 10 KKCFRN O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccc(C(F)(F)F)cc1 ZINC000044417400 562657123 /nfs/dbraw/zinc/65/71/23/562657123.db2.gz YGDYOZZSLACULQ-JAIQZWGSSA-N 0 0 536.984 6.136 1 10 KKCFRN COc1cc2c(cc1OC(C)C)CCn1cc(-c3ccc(O)c(O)c3)c(-c3cc(OC)c(OC)c(OC)c3)c1-2 ZINC000045289966 562660280 /nfs/dbraw/zinc/66/02/80/562660280.db2.gz OJFVWPKKTZISQQ-UHFFFAOYSA-N 0 0 531.605 6.278 1 10 KKCFRN Cc1cc(O)c(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(N4CCOCC4)cc3)C2)cc1Cl ZINC000049035684 562663550 /nfs/dbraw/zinc/66/35/50/562663550.db2.gz IFOWDVPPOCACJB-RUZDIDTESA-N 0 0 507.059 5.739 1 10 KKCFRN COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCC[NH+](C)C)n3)CC2(C)C)cc1 ZINC000049756747 562675199 /nfs/dbraw/zinc/67/51/99/562675199.db2.gz SUBMYZNMHKQQRB-UHFFFAOYSA-N 0 0 546.760 5.880 1 10 KKCFRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(Nc2ccccc2)nn2c1ncc1c2-c2ccccc2CC1 ZINC000049784200 562683524 /nfs/dbraw/zinc/68/35/24/562683524.db2.gz ZDDHKDISECBBQK-UHFFFAOYSA-N 0 0 561.601 6.266 1 10 KKCFRN COc1ccc([C@H](NC(=O)COc2ccc(Oc3ccccc3)cc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000049867328 562689452 /nfs/dbraw/zinc/68/94/52/562689452.db2.gz GDWYSXVODJRTDX-LJAQVGFWSA-N 0 0 541.003 6.679 1 10 KKCFRN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000049889412 562692055 /nfs/dbraw/zinc/69/20/55/562692055.db2.gz QDZTWPHRGJZQGC-OKUTUCSLSA-N 0 0 536.765 8.785 1 10 KKCFRN CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccc(N(C)C)cc2)c(=O)c2ccc(C)nc21 ZINC000064516418 562706576 /nfs/dbraw/zinc/70/65/76/562706576.db2.gz PSBAJVLBDCJOGU-SANMLTNESA-N 0 0 519.605 5.529 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064526918 562706729 /nfs/dbraw/zinc/70/67/29/562706729.db2.gz ZFLDRSLDAAWOER-NDENLUEZSA-N 0 0 549.318 6.524 1 10 KKCFRN O=C1Nc2ccc(Cl)cc2[C@]12N1CSC[C@H]1[C@H](c1ccc(Cl)cc1)C21C(=O)c2ccccc2C1=O ZINC000064750306 562709165 /nfs/dbraw/zinc/70/91/65/562709165.db2.gz ZXBBDBJJTYCPFQ-BERHBOFZSA-N 0 0 521.425 5.379 1 10 KKCFRN Nc1ccc(Nc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+](=O)[O-])cc2)cc1 ZINC000066074619 562709867 /nfs/dbraw/zinc/70/98/67/562709867.db2.gz YUKYAOCOEPTCIM-UHFFFAOYSA-N 0 0 528.392 5.439 1 10 KKCFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000066252715 562714789 /nfs/dbraw/zinc/71/47/89/562714789.db2.gz JRJVTAVBVGLNJH-CXNFHZKBSA-N 0 0 588.697 7.334 1 10 KKCFRN Oc1ccc(Cc2ccc(O)c([C@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000071294995 562717107 /nfs/dbraw/zinc/71/71/07/562717107.db2.gz INMQHLIMMGRRJC-FQLXRVMXSA-N 0 0 557.481 6.873 1 10 KKCFRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3O)C2)cc1 ZINC000073257558 562737002 /nfs/dbraw/zinc/73/70/02/562737002.db2.gz YUMXNKHKSMTXJU-AREMUKBSSA-N 0 0 556.600 5.401 1 10 KKCFRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](c3ccccc3O)C2)cc1 ZINC000073331700 562738164 /nfs/dbraw/zinc/73/81/64/562738164.db2.gz BZOPBYDIPQRQIE-RUZDIDTESA-N 0 0 618.584 5.582 1 10 KKCFRN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCC[NH+](C)C)ccc(Cl)c43)cc2)n1 ZINC000073333350 562738171 /nfs/dbraw/zinc/73/81/71/562738171.db2.gz ZPXXUTUFRQQFJK-UHFFFAOYSA-N 0 0 604.136 5.284 1 10 KKCFRN COc1ccc(/C=C(/c2ccc(OC)cc2)c2c(Cl)cc(Cl)c(/C(=C\c3ccc(OC)cc3)c3ccc(OC)cc3)c2/N=N/c2ccccc2)cc1 ZINC000082170448 562741459 /nfs/dbraw/zinc/74/14/59/562741459.db2.gz RKKKIWXTZVTEKP-KCCNREEZSA-N 0 0 727.688 12.621 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084705161 562749903 /nfs/dbraw/zinc/74/99/03/562749903.db2.gz UBKFKZLIOMMTPE-UHFFFAOYSA-N 0 0 607.570 6.685 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084707273 562750107 /nfs/dbraw/zinc/75/01/07/562750107.db2.gz ISTMNQBYDLLFJM-UHFFFAOYSA-N 0 0 621.597 7.075 1 10 KKCFRN COc1cc([C@@H](c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)C2O[C@@H]3C(=C2C)C(=O)C(=O)c2c4c(ccc23)C(C)(C)CCC4)cc(OC)c1OC ZINC000095543820 562757462 /nfs/dbraw/zinc/75/74/62/562757462.db2.gz SSDOHYHMKXHDRZ-GRBIIBDBSA-N 0 0 768.903 9.447 1 10 KKCFRN CC1(CCCCCCCn2ncn(-c3ccc(N4CCN(c5ccc(OC[C@@H]6CO[C@@](Cn7cncn7)(c7ccc(Cl)cc7Cl)O6)cc5)CC4)cc3)c2=O)N=N1 ZINC000095548885 562759586 /nfs/dbraw/zinc/75/95/86/562759586.db2.gz YVPMAQWUOYNNGZ-GOOTYSBQSA-N 0 0 801.780 7.129 1 10 KKCFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)C(=C3C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000095552619 562760681 /nfs/dbraw/zinc/76/06/81/562760681.db2.gz MIDXOOYTVPKOQL-FMIZDUHGSA-N 0 0 609.505 7.404 1 10 KKCFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C1=O ZINC000095571165 562768819 /nfs/dbraw/zinc/76/88/19/562768819.db2.gz UBYZDEGPUXBRQE-GJFGOQOUSA-N 0 0 604.792 5.865 3 10 KKCFRN CC(C)Nc1nc2c(cc(Cl)c(Cl)c2C(=O)N(C)C)n1C1CCN(c2ccc(OC(C)C)cc2)CC1 ZINC000095585736 562773717 /nfs/dbraw/zinc/77/37/17/562773717.db2.gz NALJATVDFZCVNT-UHFFFAOYSA-N 0 0 532.516 6.494 1 10 KKCFRN CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(O)c(O)c2)c1COC(=O)CCCCC)OCO3 ZINC000096909326 562799571 /nfs/dbraw/zinc/79/95/71/562799571.db2.gz UNJFLMMXAHFIET-UHFFFAOYSA-N 0 0 536.621 6.894 1 10 KKCFRN O=C1c2ccccc2C(=O)c2cc(Cn3cc(CCCCc4cn(Cc5ccc6c(c5)C(=O)c5ccccc5C6=O)nn4)nn3)ccc21 ZINC000096917652 562801339 /nfs/dbraw/zinc/80/13/39/562801339.db2.gz NVTOWEKJVSUMNO-UHFFFAOYSA-N 0 0 632.680 5.082 1 10 KKCFRN Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000098085706 562805868 /nfs/dbraw/zinc/80/58/68/562805868.db2.gz QAIHFHUYVUSZFF-PMERELPUSA-N 0 0 685.420 7.277 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101009548 562808646 /nfs/dbraw/zinc/80/86/46/562808646.db2.gz DGNKVLJVOGUZBM-BKWYIPCTSA-N 0 0 568.402 6.746 1 10 KKCFRN Cc1ccc(-n2c(=O)c3c([nH]c2=S)NC(=O)N(N=Nc2ccc(Cl)cc2)[C@H]3c2ccccc2Cl)cc1 ZINC000101010616 562808648 /nfs/dbraw/zinc/80/86/48/562808648.db2.gz FFCPMFFIMBCOPK-WTRUXQSKSA-N 0 0 537.432 7.146 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccc(O)cc3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101479587 562810989 /nfs/dbraw/zinc/81/09/89/562810989.db2.gz VBBYGFZLFPBEDA-ZLBRTXFESA-N 0 0 539.404 6.543 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3cc4cc(O)ccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000103174423 562815020 /nfs/dbraw/zinc/81/50/20/562815020.db2.gz ZLCUISAOGBKBPT-PMERELPUSA-N 0 0 580.648 6.633 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000103187688 562815491 /nfs/dbraw/zinc/81/54/91/562815491.db2.gz QMEUHESHMNPMJK-XMHVBLFMSA-N 0 0 523.401 6.723 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccccc2[N+](=O)[O-])cc1 ZINC000103221407 562817459 /nfs/dbraw/zinc/81/74/59/562817459.db2.gz WLKUZKWAPPBQSV-NVQSTNCTSA-N 0 0 529.984 7.090 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc2ccccc2c1 ZINC000103236106 562818810 /nfs/dbraw/zinc/81/88/10/562818810.db2.gz IUOGATBTMQZXQZ-PMERELPUSA-N 0 0 559.511 5.721 1 10 KKCFRN Cc1c(-c2cncc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118096511 562830158 /nfs/dbraw/zinc/83/01/58/562830158.db2.gz SZVNWKDZFZRHOW-UHFFFAOYSA-N 0 0 505.544 5.683 1 10 KKCFRN COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c2cc1C ZINC000139865461 562832769 /nfs/dbraw/zinc/83/27/69/562832769.db2.gz YLFKEARFNZKJSN-CIAFOILYSA-N 0 0 534.996 5.884 1 10 KKCFRN COc1ccc(N2CCN(C(=O)[C@@]3(Oc4ccc(C(F)(F)F)cc4)CCCN(C(=O)c4cnccc4C(F)(F)F)C3)CC2)cc1 ZINC000150525246 562843757 /nfs/dbraw/zinc/84/37/57/562843757.db2.gz ZCMROHGFXCDHLP-GDLZYMKVSA-N 0 0 636.593 5.530 1 10 KKCFRN COc1cccc2c1nc1cc([N+](=O)[O-])ccc1c2NCCCCCCCCNc1c2ccc([N+](=O)[O-])cc2nc2c(OC)cccc21 ZINC000150542735 562844253 /nfs/dbraw/zinc/84/42/53/562844253.db2.gz TTYJVLOYAJQOLT-UHFFFAOYSA-N 0 0 648.720 8.788 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582857 562845588 /nfs/dbraw/zinc/84/55/88/562845588.db2.gz VIGKDECOPUEODR-XLNFBEDTSA-N 0 0 657.130 6.426 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3F)C2=O)cc1F ZINC000150604231 562847587 /nfs/dbraw/zinc/84/75/87/562847587.db2.gz SLOFKKVBBGHLSM-HIXSDJFHSA-N 0 0 675.664 6.287 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326959 562857907 /nfs/dbraw/zinc/85/79/07/562857907.db2.gz LWZSYMQEHFEMQB-WVDZOPJMSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326986 562857915 /nfs/dbraw/zinc/85/79/15/562857915.db2.gz WJNWVMFWFDUGOS-DEXQXJORSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326995 562857967 /nfs/dbraw/zinc/85/79/67/562857967.db2.gz SSNINDYYVBJJML-DEXQXJORSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327066 562858070 /nfs/dbraw/zinc/85/80/70/562858070.db2.gz PUZAGNJBSXUXEW-LBEKAKSKSA-N 0 0 551.532 5.324 1 10 KKCFRN O=C1/C(=C/c2ccc(OCCCCOc3ccc(/C=C4\SC(=S)N(Cc5ccncc5)C4=O)cc3)cc2)SC(=S)N1Cc1ccncc1 ZINC000169327348 562858098 /nfs/dbraw/zinc/85/80/98/562858098.db2.gz NBSLPQIUQAAMDR-RYJWMXFHSA-N 0 0 710.928 7.517 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169331317 562858919 /nfs/dbraw/zinc/85/89/19/562858919.db2.gz OHUJZFSAWSADST-MHZLTWQESA-N 0 0 557.923 5.281 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331332 562858957 /nfs/dbraw/zinc/85/89/57/562858957.db2.gz IOTIFNDRCHVNBK-DEXQXJORSA-N 0 0 616.401 5.779 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccccc2F)S1 ZINC000206914395 562876560 /nfs/dbraw/zinc/87/65/60/562876560.db2.gz QAQCOUOYDJTMFW-ZHIQAQTNSA-N 0 0 573.053 6.239 1 10 KKCFRN Cc1ccc(NC(=O)c2ccc(N=NN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000253655868 562882650 /nfs/dbraw/zinc/88/26/50/562882650.db2.gz MESVMZQNJJNYHC-UHFFFAOYSA-N 0 0 520.519 6.422 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccccc21 ZINC000299825752 562883664 /nfs/dbraw/zinc/88/36/64/562883664.db2.gz NVFMVTZOJMKDGF-XSSWQJIQSA-N 0 0 519.413 6.137 1 10 KKCFRN COc1ccc(C2=NN(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000299829510 562884890 /nfs/dbraw/zinc/88/48/90/562884890.db2.gz KAYZBLYYJSDWEM-GENIAPEFSA-N 0 0 520.079 6.714 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)SC2=S)c1 ZINC000299832746 562885912 /nfs/dbraw/zinc/88/59/12/562885912.db2.gz QZNFTUMNGCXYOA-RBAUZFLXSA-N 0 0 584.122 7.476 1 10 KKCFRN Cc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)SC2=S)cc1 ZINC000299832698 562885914 /nfs/dbraw/zinc/88/59/14/562885914.db2.gz QRXCDXBLBADJMU-IOGUJBTOSA-N 0 0 540.113 7.859 1 10 KKCFRN Cc1ccc(O[P@](=O)(OCCSc2ccccc2)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])cc1 ZINC000299833072 562886059 /nfs/dbraw/zinc/88/60/59/562886059.db2.gz HIMYHRGDBWXDNB-ZMARQLRSSA-N 0 0 573.568 5.545 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)SC2=S)c1 ZINC000299834031 562886377 /nfs/dbraw/zinc/88/63/77/562886377.db2.gz SVCIMUDVEYOYNJ-GENIAPEFSA-N 0 0 534.062 6.323 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2nc3ccc(S(N)(=O)=O)cc3s2)cc1 ZINC000299835228 562886788 /nfs/dbraw/zinc/88/67/88/562886788.db2.gz LAADIJCXWVMLJB-JOCHJYFZSA-N 0 0 556.511 5.128 1 10 KKCFRN O=C1N=C(N2CCN([C@H](c3nnnn3C3CCCCC3)c3ccccc3Cl)CC2)S/C1=C\c1ccccc1 ZINC000299836013 562886987 /nfs/dbraw/zinc/88/69/87/562886987.db2.gz XSHYKLTXXHFROI-ZNDLMVGJSA-N 0 0 548.116 5.209 1 10 KKCFRN O=C1N=C(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccccc3Cl)CC2)S/C1=C\c1ccccc1 ZINC000299836012 562886996 /nfs/dbraw/zinc/88/69/96/562886996.db2.gz XSHYKLTXXHFROI-RLDXSPPBSA-N 0 0 548.116 5.209 1 10 KKCFRN Cc1ccc(S(=O)(=O)N=NC=C2CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N3C2C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000377853484 562896552 /nfs/dbraw/zinc/89/65/52/562896552.db2.gz STIULHPFDYBJHO-PQCPZBJXSA-N 0 0 686.837 6.257 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473089029 562897395 /nfs/dbraw/zinc/89/73/95/562897395.db2.gz QKRIGQYFCDHLED-SGMQAHBGSA-N 0 0 552.645 5.238 1 10 KKCFRN COc1cccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)cc2)c1 ZINC000473111312 562898559 /nfs/dbraw/zinc/89/85/59/562898559.db2.gz AIBRPULOBGQCAB-MIXAMLLLSA-N 0 0 533.584 5.556 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Cl)cc1 ZINC000473112974 562898772 /nfs/dbraw/zinc/89/87/72/562898772.db2.gz FAGHOYJIBPHWDW-NOGPVDPTSA-N 0 0 533.444 8.765 1 10 KKCFRN CC1=C(N=Nc2ccc(Cl)cc2)NC(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)=NN1 ZINC000473113744 562898838 /nfs/dbraw/zinc/89/88/38/562898838.db2.gz HLLNXWNOTOGVCS-JVIKYNQMSA-N 0 0 531.407 6.817 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)N=C2c2ccccc2)c1 ZINC000473114403 562898951 /nfs/dbraw/zinc/89/89/51/562898951.db2.gz NNBCWTGHLOCLJZ-CEUNXORHSA-N 0 0 517.585 5.856 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)N=C2c2ccccc2)c1 ZINC000473115851 562899043 /nfs/dbraw/zinc/89/90/43/562899043.db2.gz UUCFLLIALOFCDH-VEILYXNESA-N 0 0 538.003 6.201 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(C)cc1 ZINC000473118857 562899257 /nfs/dbraw/zinc/89/92/57/562899257.db2.gz LTYJVWIUUPRQSW-LGBDKOASSA-N 0 0 513.026 8.420 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473135602 562900773 /nfs/dbraw/zinc/90/07/73/562900773.db2.gz JVLZPCCNSSEJQJ-ZPFXUNSTSA-N 0 0 614.565 7.733 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473135600 562900786 /nfs/dbraw/zinc/90/07/86/562900786.db2.gz JVLZPCCNSSEJQJ-RRQRISAPSA-N 0 0 614.565 7.733 1 10 KKCFRN COc1ccc2c(c1)c1c(n2CCCCCCCCCn2c3ccc(OC)cc3c3c2CCN(C)C3)CCN(C)C1 ZINC000474606970 562905340 /nfs/dbraw/zinc/90/53/40/562905340.db2.gz IFDUUTRILGIIKH-UHFFFAOYSA-N 0 0 556.795 7.020 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccccc3O)SC2=S)cc1 ZINC000653899375 562917455 /nfs/dbraw/zinc/91/74/55/562917455.db2.gz KZWXOGUYTXOLSQ-QSRSGOJESA-N 0 0 565.676 6.528 1 10 KKCFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C\c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937233 571848118 /nfs/dbraw/zinc/84/81/18/571848118.db2.gz ZXDDRZYEBDQKAY-WYDYPVMJSA-N 0 0 562.835 9.310 1 10 endogenous,in-man KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)ccc1O ZINC000085625796 291968436 /nfs/dbraw/zinc/96/84/36/291968436.db2.gz OQYORUTUQHFRHL-VSJLXWSYSA-N 0 0 706.836 7.875 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@@H](c3cc(O)c(O)c(OC)c3)C[C@@H]3C=Cc4cc(O)cc5ccc(c3c54)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625671 519096329 /nfs/dbraw/zinc/09/63/29/519096329.db2.gz IBCCMEFJJLGFTH-AQWSPPIASA-N 0 0 742.869 8.497 1 10 biogenic,in-vitro KKCFRN CS[C@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862068 561679884 /nfs/dbraw/zinc/67/98/84/561679884.db2.gz LKPBYJVYDZDMCT-OZXSUGGESA-N 0 0 558.485 5.778 1 10 KKCFRN COc1cc(C=C2N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc(OC)c1OC ZINC000001864594 561679988 /nfs/dbraw/zinc/67/99/88/561679988.db2.gz JUSZXHXJDYIXKG-QQXSKIMKSA-N 0 0 562.651 6.574 1 10 KKCFRN Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cc(Br)ccc2F)N1 ZINC000002936336 561681312 /nfs/dbraw/zinc/68/13/12/561681312.db2.gz UURLLHBJUTYWQS-WMZHIEFXSA-N 0 0 503.755 5.650 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000003930603 561687378 /nfs/dbraw/zinc/68/73/78/561687378.db2.gz VBXIEZVFKHTISY-QYKOWSPFSA-N 0 0 670.765 5.212 1 10 KKCFRN O=[N+]([O-])c1ccc2c(c1)nc1ccccc1c2NCCCCCCNc1c2ccccc2nc2cc([N+](=O)[O-])ccc21 ZINC000005439260 561695925 /nfs/dbraw/zinc/69/59/25/561695925.db2.gz XYHMCYAVOJFGKK-UHFFFAOYSA-N 0 0 560.614 7.990 1 10 KKCFRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3O)C2)cc1 ZINC000005579444 561696758 /nfs/dbraw/zinc/69/67/58/561696758.db2.gz YUMXNKHKSMTXJU-SANMLTNESA-N 0 0 556.600 5.401 1 10 KKCFRN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579516 561696951 /nfs/dbraw/zinc/69/69/51/561696951.db2.gz USPHNCUDUYAUCJ-MQNRADLISA-N 0 0 588.132 6.146 1 10 KKCFRN O=c1ccc(N=Nc2ccc(-n3c(=O)c4cc(Br)cc(Br)c4[nH]c3=S)cc2)c2[nH]cccc1-2 ZINC000005596894 561697394 /nfs/dbraw/zinc/69/73/94/561697394.db2.gz LTXCVRLOURQHFE-ZQHSETAFSA-N 0 0 583.265 7.242 1 10 KKCFRN COc1ccc(OC)c2sc(N3C(=O)/C(=C/c4cccc(Oc5ccccc5)c4)N=C3c3ccccc3)nc21 ZINC000006019447 561702047 /nfs/dbraw/zinc/70/20/47/561702047.db2.gz NMYFYHDPJLZFNW-CLCOLTQESA-N 0 0 533.609 6.940 1 10 KKCFRN O=C1c2ccccc2C(=O)C1=c1cc2c(c3ccccc31)=N[C@]13CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)N23 ZINC000006040704 561702108 /nfs/dbraw/zinc/70/21/08/561702108.db2.gz VZUHURHOGWDWGS-YPEDXLKCSA-N 0 0 570.692 7.234 1 10 KKCFRN CSc1ccc(C=C2N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc1 ZINC000013005059 561711445 /nfs/dbraw/zinc/71/14/45/561711445.db2.gz UZTIAUKJFOAWEH-IMRQLAEWSA-N 0 0 518.667 7.271 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000026171903 561770002 /nfs/dbraw/zinc/77/00/02/561770002.db2.gz VMUOFFFWZGGOFF-NEKMOQCDSA-N 0 0 704.659 6.182 1 10 KKCFRN CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026490904 561793244 /nfs/dbraw/zinc/79/32/44/561793244.db2.gz ITZRDZMORJKADG-UMSFTDKQSA-N 0 0 590.853 7.109 1 10 KKCFRN CCCCNC(=O)c1cccc2c1nc1ccccc1c2Nc1ccc(NS(=O)(=O)CCC)cc1OC ZINC000026839594 561825425 /nfs/dbraw/zinc/82/54/25/561825425.db2.gz MJZRXMLQDWEIOE-UHFFFAOYSA-N 0 0 520.655 5.822 1 10 KKCFRN O=C(Oc1cccc2c1C(=O)c1cccc(OC(=O)c3cccc(Cl)c3)c1C2=O)c1cccc(Cl)c1 ZINC000026996665 561833434 /nfs/dbraw/zinc/83/34/34/561833434.db2.gz IEKVGHNLAHTCPG-UHFFFAOYSA-N 0 0 517.320 6.207 1 10 KKCFRN COc1ccc([C@]2(Cc3ccncc3)C(=O)c3ccc(OC4CCN(C)CC4)cc3C2=O)cc1OC1CCCC1 ZINC000027420865 561857728 /nfs/dbraw/zinc/85/77/28/561857728.db2.gz GQQDNANWGCICSG-MGBGTMOVSA-N 0 0 540.660 5.444 1 10 KKCFRN COC(=O)[C@@]1(CC(=O)C(=O)C(C)C)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027625729 561873099 /nfs/dbraw/zinc/87/30/99/561873099.db2.gz OFTZMXMMPGLOFG-JTKFEFRYSA-N 0 0 558.756 5.900 1 10 KKCFRN [O-]c1c(F)c(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000027870894 561888219 /nfs/dbraw/zinc/88/82/19/561888219.db2.gz GCADYHSUUMATAM-UHFFFAOYSA-N 0 0 547.477 5.622 1 10 KKCFRN CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027997077 561894040 /nfs/dbraw/zinc/89/40/40/561894040.db2.gz JAKXPLQZZCVGBG-HKFHRXRESA-N 0 0 691.620 5.016 1 10 KKCFRN CCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999675 561894425 /nfs/dbraw/zinc/89/44/25/561894425.db2.gz MSRHZFCRISNCIN-NQVJXQQZSA-N 0 0 705.647 5.406 1 10 KKCFRN CCCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027999363 561894432 /nfs/dbraw/zinc/89/44/32/561894432.db2.gz MLQXIYHWKWYJJQ-GOJCVTOHSA-N 0 0 718.686 6.320 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1C1CCCC1 ZINC000028009847 561896274 /nfs/dbraw/zinc/89/62/74/561896274.db2.gz MNPZZDKEEMTKMB-KUFVUHJUSA-N 0 0 717.658 5.721 1 10 KKCFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2O)C(=O)C2CCCCC2)c1 ZINC000028474843 561927732 /nfs/dbraw/zinc/92/77/32/561927732.db2.gz AMDKVKPMNHPBDM-CJQREAPYSA-N 0 0 519.638 6.047 1 10 KKCFRN C[C@H](CCc1ccccc1)Nc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2C(=O)[O-])c1F ZINC000028522912 561929726 /nfs/dbraw/zinc/92/97/26/561929726.db2.gz MZKLPDKKHFTFKL-HXUWFJFHSA-N 0 0 697.695 6.701 1 10 KKCFRN COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1)(c1ccc(F)cc1)C2=O ZINC000028571220 561939288 /nfs/dbraw/zinc/93/92/88/561939288.db2.gz ZVPCRFGVNOUFBK-HOFKKMOUSA-N 0 0 530.379 5.606 1 10 KKCFRN COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000028653358 561946267 /nfs/dbraw/zinc/94/62/67/561946267.db2.gz JRJBWNVFQSKGFL-OAQYLSRUSA-N 0 0 507.612 5.283 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccc(CO)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704554 561948662 /nfs/dbraw/zinc/94/86/62/561948662.db2.gz UWKNKXZVKRNTJM-DHUJRADRSA-N 0 0 665.790 7.448 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000028822657 561967426 /nfs/dbraw/zinc/96/74/26/561967426.db2.gz ZCTVUUKBVCMSOB-XMMPIXPASA-N 0 0 521.060 8.176 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000028822631 561967450 /nfs/dbraw/zinc/96/74/50/561967450.db2.gz FZCGTPFWWXXPLT-UHFFFAOYSA-N 0 0 553.447 7.601 1 10 KKCFRN COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000029132367 562003392 /nfs/dbraw/zinc/00/33/92/562003392.db2.gz VDBNLRDTSVSVFQ-UHFFFAOYSA-N 0 0 504.940 5.777 1 10 KKCFRN COc1cc(C[C@@H]2c3cc(O)c(O)cc3CCN2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000029316076 562012477 /nfs/dbraw/zinc/01/24/77/562012477.db2.gz NNDDTWYUXODCOR-OAQYLSRUSA-N 0 0 504.410 5.773 1 10 KKCFRN CCN(CC)c1ccc([C@H]2SCC(=O)N2c2ccc(C(=O)Nc3ccc(N4C(=O)CS[C@H]4c4ccc(N(CC)CC)cc4)cc3)cc2)cc1 ZINC000029493246 562029335 /nfs/dbraw/zinc/02/93/35/562029335.db2.gz DPCFACMOQFGJRP-RGULYWFUSA-N 0 0 693.939 8.189 1 10 KKCFRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3c(F)cccc3Cl)N4)CC2)cc1 ZINC000038150033 562066319 /nfs/dbraw/zinc/06/63/19/562066319.db2.gz DKTFCQIDSBVMJZ-AREMUKBSSA-N 0 0 555.075 5.116 3 10 KKCFRN C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040441878 562077069 /nfs/dbraw/zinc/07/70/69/562077069.db2.gz FQYQSAGLJZFKMU-ZEFYDCQRSA-N 0 0 500.739 8.548 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000040900003 562083395 /nfs/dbraw/zinc/08/33/95/562083395.db2.gz RUIXOIFHHOZIIO-CSVRKRCMSA-N 0 0 501.543 5.528 1 10 KKCFRN CCCCCCOC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592661 560065698 /nfs/dbraw/zinc/06/56/98/560065698.db2.gz IEIITNGBXPOEQE-VICYJXBOSA-N 0 0 574.718 5.665 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@]2(c3ccc(O)c(O)c3)CCCC[C@@H]2O)ccc1O ZINC000085626175 560069147 /nfs/dbraw/zinc/06/91/47/560069147.db2.gz RXKMWTBKVSLOKE-LXDGORDOSA-N 0 0 548.676 5.502 1 10 biogenic,in-vitro KKCFRN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)c(c2-5)CN4)cc(OC)c1O ZINC000085567573 560070380 /nfs/dbraw/zinc/07/03/80/560070380.db2.gz MCAHEZBKRWOGLQ-WYOOIXGGSA-N 0 0 583.637 5.087 1 10 biogenic,in-vitro KKCFRN CC(C)=CCC/C(C)=C\CC1=C2OC(C)(C)C=CC2=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C1=O ZINC000031908658 560089459 /nfs/dbraw/zinc/08/94/59/560089459.db2.gz HHAZEOQNUWGOLG-MFOYZWKCSA-N 0 0 504.579 6.702 1 10 biogenic,in-vitro KKCFRN CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c(O)c3c(cc2O1)OC(C)(C)[C@@H](O)C3 ZINC000014719926 560224872 /nfs/dbraw/zinc/22/48/72/560224872.db2.gz BTDKFPKJPIGYFD-CQLIZJEZSA-N 0 0 508.611 5.820 1 10 in-vitro KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044386326 562655829 /nfs/dbraw/zinc/65/58/29/562655829.db2.gz IFXZTXQNDDDPLK-XDFJSJKPSA-N 0 0 589.519 8.243 1 10 KKCFRN CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419058 562657414 /nfs/dbraw/zinc/65/74/14/562657414.db2.gz BEIDKQKEZYWDLQ-DUMVHPQHSA-N 0 0 535.442 6.383 1 10 KKCFRN Cc1cc2nc(-c3cc(Br)ccc3O)c(-c3cc(Br)ccc3O)nc2cc1C ZINC000045209973 562659292 /nfs/dbraw/zinc/65/92/92/562659292.db2.gz WLQMBQKHRGZFRI-UHFFFAOYSA-N 0 0 500.190 6.517 1 10 KKCFRN COc1cc(-c2c(-c3ccc(O)c(O)c3)cn3c2-c2cc(OC)c(OC(C)C)cc2CC3)ccc1OC(C)C ZINC000045289514 562660281 /nfs/dbraw/zinc/66/02/81/562660281.db2.gz GNGYTQOHPKTFSV-UHFFFAOYSA-N 0 0 529.633 7.048 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2CC(c3ccccc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049073419 562664269 /nfs/dbraw/zinc/66/42/69/562664269.db2.gz HKFLMEHDGGIIFI-FQEVSTJZSA-N 0 0 512.466 7.244 1 10 KKCFRN COc1cc2cccnc2c(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccc3ccccc32)c1 ZINC000049605395 562665776 /nfs/dbraw/zinc/66/57/76/562665776.db2.gz QBIQKSVJYQNCAA-VWLOTQADSA-N 0 0 582.770 6.934 1 10 KKCFRN COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1[C@@H](O)c1nccs1 ZINC000049650286 562668031 /nfs/dbraw/zinc/66/80/31/562668031.db2.gz KZPAICMPSMYEOG-UUWRZZSWSA-N 0 0 634.758 6.668 1 10 KKCFRN CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@H](c3ccc(N(C)C)cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(N(C)C)cc1 ZINC000049679571 562668945 /nfs/dbraw/zinc/66/89/45/562668945.db2.gz CRAJQFIWMVYGFE-YDAXCOIMSA-N 0 0 736.831 10.163 1 10 KKCFRN Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000049793471 562684884 /nfs/dbraw/zinc/68/48/84/562684884.db2.gz HUDVPJBZHXPMCT-UHFFFAOYSA-N 0 0 565.520 6.841 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1cnc1c(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(Nc3ccccc3)nn12 ZINC000049793660 562685075 /nfs/dbraw/zinc/68/50/75/562685075.db2.gz MHCXMCQOEGVFTG-UHFFFAOYSA-N 0 0 589.615 6.148 1 10 KKCFRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000049877664 562690243 /nfs/dbraw/zinc/69/02/43/562690243.db2.gz PKPJEIOWHFIXMG-UHFFFAOYSA-N 0 0 555.800 8.300 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccc(F)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000058468285 562697937 /nfs/dbraw/zinc/69/79/37/562697937.db2.gz RHCXXCDKSISLDH-XLJNKUFUSA-N 0 0 556.609 7.214 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2cccc([N+](=O)[O-])c2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058575650 562699621 /nfs/dbraw/zinc/69/96/21/562699621.db2.gz CEDXVDJJAZNNHH-UHFFFAOYSA-N 0 0 721.806 9.898 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2COC(C)=O)cc1OCc1ccc(F)cc1 ZINC000064513211 562706373 /nfs/dbraw/zinc/70/63/73/562706373.db2.gz AYRNLHHSCOHYRO-FMCGGJTJSA-N 0 0 553.384 5.525 1 10 KKCFRN O=C1C(=Cc2ccc(-c3ccc(O)c(-c4nn[nH]n4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066102660 562711477 /nfs/dbraw/zinc/71/14/77/562711477.db2.gz FOCLTBLXJXQXAP-ZDLGFXPLSA-N 0 0 515.498 5.257 1 10 KKCFRN CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000072178811 562732132 /nfs/dbraw/zinc/73/21/32/562732132.db2.gz AXVQXDKRGPCGGE-UHFFFAOYSA-N 0 0 624.807 6.123 1 10 KKCFRN CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C ZINC000072180762 562732605 /nfs/dbraw/zinc/73/26/05/562732605.db2.gz MSRYWWJYSKNUKR-XGYOZOOXSA-N 0 0 608.860 8.775 1 10 KKCFRN Cc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(-c2nn[nH]n2)c1 ZINC000073196480 562735133 /nfs/dbraw/zinc/73/51/33/562735133.db2.gz BGFOUGOFRJFRIR-JAIQZWGSSA-N 0 0 526.569 5.699 1 10 KKCFRN CCCCc1nc(C(=O)OCCCc2ccc(O)c(O)c2)c(Cl)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073292964 562737532 /nfs/dbraw/zinc/73/75/32/562737532.db2.gz XKNPXPODBNQJRZ-UHFFFAOYSA-N 0 0 587.080 5.975 1 10 KKCFRN COc1cc2nc(-c3cccs3)nc(N3c4ccccc4C(=O)NN=C3c3ccc(O)cc3)c2cc1OC ZINC000073313744 562737970 /nfs/dbraw/zinc/73/79/70/562737970.db2.gz NPWWVXMIBUVTPP-UHFFFAOYSA-N 0 0 523.574 5.324 1 10 KKCFRN Cc1nnc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)nc1/C=C\c1ccc(N(C)C)cc1 ZINC000073410831 562738775 /nfs/dbraw/zinc/73/87/75/562738775.db2.gz IYYNQYWWZTWUAR-IGWBSOHYSA-N 0 0 555.469 6.558 1 10 KKCFRN CN(C)c1ccc(/N=N/c2nc3c(ccc(Cc4ccccc4)c3Cc3ccccc3)s2)c2ccccc21 ZINC000082151411 562739929 /nfs/dbraw/zinc/73/99/29/562739929.db2.gz BTBKMRCSELCLHS-ULDVOPSXSA-N 0 0 512.682 9.113 1 10 KKCFRN COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/c5ccccc5[N+](=O)[O-])N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082174767 562741562 /nfs/dbraw/zinc/74/15/62/562741562.db2.gz RPRLLFYGNZTFHV-ONUIUJJFSA-N 0 0 672.144 7.016 1 10 KKCFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082195494 562742743 /nfs/dbraw/zinc/74/27/43/562742743.db2.gz NTGSJJQELKJCCH-YZCUKXFTSA-N 0 0 628.077 6.413 1 10 KKCFRN CN(C)c1ccc([C@@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@H]5c5ccc(N(C)C)cc5)nc4cc3s2)cc1 ZINC000082195552 562742750 /nfs/dbraw/zinc/74/27/50/562742750.db2.gz AEFVIBMEMPNIPL-NSOVKSMOSA-N 0 0 632.862 6.595 1 10 KKCFRN CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)N=C(c2ccc(C)cc2)c2ccccc2C1=S ZINC000084604924 562744301 /nfs/dbraw/zinc/74/43/01/562744301.db2.gz AGIGTNXLGBXJOS-UHFFFAOYSA-N 0 0 523.528 6.750 1 10 KKCFRN COc1ccc2c(COC(=O)CCCCCn3cc(COc4ccc(-c5c(C)c(C)c(-c6ccc(O)cc6)c(O)c5O)cc4)nn3)cc(=O)oc2c1 ZINC000084615399 562744463 /nfs/dbraw/zinc/74/44/63/562744463.db2.gz GLWAIBMVQLLVHS-UHFFFAOYSA-N 0 0 705.764 7.344 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652141 562746389 /nfs/dbraw/zinc/74/63/89/562746389.db2.gz VUNQXCPCRPBTIY-NRFANRHFSA-N 0 0 644.673 5.031 1 10 KKCFRN Cc1ccc(S(=O)(=O)NCCCCCCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000084687263 562748855 /nfs/dbraw/zinc/74/88/55/562748855.db2.gz LHAMCKQDDUILMV-UHFFFAOYSA-N 0 0 570.755 7.011 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000084689538 562749380 /nfs/dbraw/zinc/74/93/80/562749380.db2.gz WRXCUZPQVIGIBV-UHFFFAOYSA-N 0 0 514.647 5.532 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000084690147 562749472 /nfs/dbraw/zinc/74/94/72/562749472.db2.gz WJOONKXXVUNDBN-UHFFFAOYSA-N 0 0 528.674 5.922 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000084710430 562750506 /nfs/dbraw/zinc/75/05/06/562750506.db2.gz WNTZFQVFFDSNSY-UHFFFAOYSA-N 0 0 556.728 6.702 1 10 KKCFRN O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1CCCCCCc1ccccc1 ZINC000095539540 562755111 /nfs/dbraw/zinc/75/51/11/562755111.db2.gz XHEFVEASIPVWKO-RWESQFFUSA-N 0 0 809.799 7.409 1 10 KKCFRN O=C1CS[C@H](c2ccccc2O)N1c1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(N2C(=O)CS[C@@H]2c2ccccc2O)ccc1N=3 ZINC000095550568 562760245 /nfs/dbraw/zinc/76/02/45/562760245.db2.gz FPEDOGBHCJYZEI-LQFQNGICSA-N 0 0 741.634 8.076 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)C(=C4C(=O)Nc5ccccc54)S3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095552243 562760616 /nfs/dbraw/zinc/76/06/16/562760616.db2.gz DLRFOANUMCWAKD-VNRABVQOSA-N 0 0 514.994 6.142 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3\C(=O)Nc4ccc(Cl)cc43)S2)cc1 ZINC000095556639 562761852 /nfs/dbraw/zinc/76/18/52/562761852.db2.gz BFNFYQXCENNDHE-QTSZRPRMSA-N 0 0 528.037 5.550 1 10 KKCFRN COc1cc(C/C=C/c2ccccc2/C=C/C(=O)[O-])ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C ZINC000095557477 562762138 /nfs/dbraw/zinc/76/21/38/562762138.db2.gz YDEXMGGWTNDKSL-OSKFTWAGSA-O 0 0 615.794 7.825 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)/C(=C4/c5ccccc5N(C)C4=O)S3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095557669 562762208 /nfs/dbraw/zinc/76/22/08/562762208.db2.gz ARILBVUTFSSNSG-BJAIWJEPSA-N 0 0 529.021 5.517 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095563788 562764059 /nfs/dbraw/zinc/76/40/59/562764059.db2.gz GEBSAWFBCWKTLV-UHFFFAOYSA-N 0 0 549.030 7.776 1 10 KKCFRN COc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)c(O)c1 ZINC000095570779 562768529 /nfs/dbraw/zinc/76/85/29/562768529.db2.gz KOYUSQKPNMWLLG-JOCHJYFZSA-N 0 0 564.988 6.087 1 10 KKCFRN COc1ccc(/C=C2\SC(=S)N(CCCCNc3ccnc4cc(Cl)ccc43)C2=O)c2ccccc12 ZINC000095587670 562774413 /nfs/dbraw/zinc/77/44/13/562774413.db2.gz FFDPOHVIJOPCIN-QQXSKIMKSA-N 0 0 534.106 7.144 1 10 KKCFRN CCOc1cc2c(cc1OC)nc(-c1ccccc1)nc2N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000096284495 562795121 /nfs/dbraw/zinc/79/51/21/562795121.db2.gz RTXGYGGKOVHPAV-UHFFFAOYSA-N 0 0 500.599 5.048 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6cncn6C)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1 ZINC000096922255 562801724 /nfs/dbraw/zinc/80/17/24/562801724.db2.gz CRIWRKJJCGNXQP-PMERELPUSA-N 0 0 725.751 6.349 1 10 KKCFRN CC(C)c1ccc2c(ncnc2Nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Oc2ccc(N)cc2)n1 ZINC000096923322 562802048 /nfs/dbraw/zinc/80/20/48/562802048.db2.gz GLKWOIQNVVGJIH-FQEVSTJZSA-N 0 0 518.621 6.757 1 10 KKCFRN Cc1cc(=NCCN=c2cc(C)c3ccc(O)c(N=Nc4cccnc4)c3o2)oc2c1ccc(O)c2N=Nc1cccnc1 ZINC000098083963 562805557 /nfs/dbraw/zinc/80/55/57/562805557.db2.gz UMJQKNILQOFJDX-HKTOSYHJSA-N 0 0 586.612 7.329 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1ccccc1 ZINC000103187694 562815513 /nfs/dbraw/zinc/81/55/13/562815513.db2.gz UPKULIHGWJCMLG-ZZAWEDPDSA-N 0 0 522.855 6.924 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Br)c1 ZINC000103236064 562818801 /nfs/dbraw/zinc/81/88/01/562818801.db2.gz ULBQQRQQOTUHNQ-SANMLTNESA-N 0 0 588.347 5.330 1 10 KKCFRN COc1cc(-c2c3c(C)nn(-c4ccccc4)c3nc3c2C(=O)C(=O)c2ccccc2-3)cc(OC)c1OC ZINC000103266827 562822374 /nfs/dbraw/zinc/82/23/74/562822374.db2.gz LOUQMPCGKTYQLD-UHFFFAOYSA-N 0 0 505.530 5.468 1 10 KKCFRN CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@](C)(c2ccc(N(C)C)cc2)C1=O ZINC000116618434 562829457 /nfs/dbraw/zinc/82/94/57/562829457.db2.gz YXVPHPXAIHMSTJ-HKBQPEDESA-N 0 0 601.666 6.409 1 10 KKCFRN Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ncnc4[nH]cnc43)cc21 ZINC000118097529 562830204 /nfs/dbraw/zinc/83/02/04/562830204.db2.gz AYZXSVXZAICRMA-UHFFFAOYSA-N 0 0 502.557 5.902 1 10 KKCFRN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574463 562845243 /nfs/dbraw/zinc/84/52/43/562845243.db2.gz OOJSOILQZFKZEI-PZSMLTKBSA-N 0 0 773.876 5.664 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582860 562845604 /nfs/dbraw/zinc/84/56/04/562845604.db2.gz VIGKDECOPUEODR-WOGQQFDQSA-N 0 0 657.130 6.426 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592863 562846354 /nfs/dbraw/zinc/84/63/54/562846354.db2.gz AKYJOLIKAAZPST-XRNDNPBTSA-N 0 0 657.821 8.013 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592870 562846365 /nfs/dbraw/zinc/84/63/65/562846365.db2.gz AKYJOLIKAAZPST-GCQHXNFUSA-N 0 0 657.821 8.013 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F ZINC000150603783 562847456 /nfs/dbraw/zinc/84/74/56/562847456.db2.gz CISLJEAEHRURFH-BSYVCWPDSA-N 0 0 693.654 6.637 1 10 KKCFRN COC1=CC(C=Cc2cc(C=CC3=CC(=NNc4ccc(Cl)cc4)C(=O)C(OC)=C3)n(CO)n2)=CC(=NNc2ccc(Cl)cc2)C1=O ZINC000150610578 562848359 /nfs/dbraw/zinc/84/83/59/562848359.db2.gz IWRYWPKEYYYAFU-RFESYAQKSA-N 0 0 671.541 9.740 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326993 562858001 /nfs/dbraw/zinc/85/80/01/562858001.db2.gz SSNINDYYVBJJML-HJWYETAXSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327041 562858007 /nfs/dbraw/zinc/85/80/07/562858007.db2.gz XKVIREVAZLSBIJ-UULLZXFKSA-N 0 0 537.505 5.016 1 10 KKCFRN O=C1/C(=C/c2ccc(/C=C3\SC(=S)N(Cc4ccncc4)C3=O)cc2)SC(=S)N1Cc1ccncc1 ZINC000169327341 562858075 /nfs/dbraw/zinc/85/80/75/562858075.db2.gz KXONOBKOHQYOJN-JZTLMNBPSA-N 0 0 546.724 5.279 1 10 KKCFRN CN1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169402829 562864933 /nfs/dbraw/zinc/86/49/33/562864933.db2.gz JZBZWDGLSQNFON-DLFZDVPBSA-N 0 0 502.545 5.160 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000204507329 562874573 /nfs/dbraw/zinc/87/45/73/562874573.db2.gz DSUBUDBDRUEAAT-SMQOBQFBSA-N 0 0 638.596 6.306 1 10 KKCFRN CC(C)c1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc2c(c1[N+](=O)[O-])CC[C@H]1[C@](C)(CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[C@]21C ZINC000205739958 562875859 /nfs/dbraw/zinc/87/58/59/562875859.db2.gz ULGILJRGEZYUTK-UZLOOLQSSA-N 0 0 669.775 7.032 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2cccc(Br)n2)S1 ZINC000206889132 562876556 /nfs/dbraw/zinc/87/65/56/562876556.db2.gz QTDIMPXNGJZOMX-DHNIJCFSSA-N 0 0 634.947 6.258 1 10 KKCFRN CC[NH+](CC)Cc1c([O-])c(OC)cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)cc5ccn4c3c(=O)oc21 ZINC000299827060 562884044 /nfs/dbraw/zinc/88/40/44/562884044.db2.gz OKGUEDSDNOZFIS-UHFFFAOYSA-N 0 0 584.625 6.004 1 10 KKCFRN Cc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)SC2=S)cc1 ZINC000299832701 562885940 /nfs/dbraw/zinc/88/59/40/562885940.db2.gz QRXCDXBLBADJMU-ZNBSHBAVSA-N 0 0 540.113 7.859 1 10 KKCFRN CC(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299835515 562886877 /nfs/dbraw/zinc/88/68/77/562886877.db2.gz WGOABUBDZKGEFS-GXLIRQFNSA-N 0 0 555.752 5.679 1 10 KKCFRN O=C(CN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000299840731 562888620 /nfs/dbraw/zinc/88/86/20/562888620.db2.gz ZFXMQLUPFQGBOL-MTJSOVHGSA-N 0 0 512.996 5.383 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@@H](c2ccc(C)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000473088474 562897328 /nfs/dbraw/zinc/89/73/28/562897328.db2.gz OGFMGNOQSFFHKP-QWOOXDRHSA-N 0 0 562.710 7.943 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)N=C2c2ccccc2)cc1 ZINC000473114686 562898952 /nfs/dbraw/zinc/89/89/52/562898952.db2.gz OURYQBCLSCGNMX-CEUNXORHSA-N 0 0 533.584 5.556 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)N=C2c2ccccc2)cc1 ZINC000473115920 562899071 /nfs/dbraw/zinc/89/90/71/562899071.db2.gz VTBHWBPHJRPEIA-BRPDVVIDSA-N 0 0 517.585 5.856 1 10 KKCFRN COc1ccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)cc2)cc1 ZINC000473117560 562899235 /nfs/dbraw/zinc/89/92/35/562899235.db2.gz ZPABCJASAJESQT-CEUNXORHSA-N 0 0 533.584 5.556 1 10 KKCFRN COc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4[C@H]3c3ccc(Cl)cc3)nc2C)cc1 ZINC000473122456 562899498 /nfs/dbraw/zinc/89/94/98/562899498.db2.gz SAFIGQSDYWPSHK-LGBDKOASSA-N 0 0 529.025 8.120 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473135601 562900766 /nfs/dbraw/zinc/90/07/66/562900766.db2.gz JVLZPCCNSSEJQJ-XYSSTBGYSA-N 0 0 614.565 7.733 1 10 KKCFRN O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1cnn2ccc(Cl)cc12 ZINC000473136627 562901064 /nfs/dbraw/zinc/90/10/64/562901064.db2.gz SZMYSYVDJJJNFC-UHFFFAOYSA-N 0 0 528.962 6.200 1 10 KKCFRN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000473154721 562902253 /nfs/dbraw/zinc/90/22/53/562902253.db2.gz KTRFBGBUXAUZNU-UHFFFAOYSA-N 0 0 574.524 6.479 1 10 KKCFRN Cc1c(=O)[nH]c(N(C)Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000653739187 562910038 /nfs/dbraw/zinc/91/00/38/562910038.db2.gz ULXYGMFHKFIKQV-UHFFFAOYSA-N 0 0 572.537 6.082 1 10 KKCFRN O=C(NCc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn21 ZINC000653823172 562914228 /nfs/dbraw/zinc/91/42/28/562914228.db2.gz RFNSRQPCCMMYKL-UHFFFAOYSA-N 0 0 628.201 8.279 1 10 KKCFRN COc1cc(CC[C@@H](O)[C@H]2Cc3ccnc(c3)Nc3ccc4cc(O)cc5c4c3[C@@H](C=C5)C[C@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O ZINC000085625726 565159137 /nfs/dbraw/zinc/15/91/37/565159137.db2.gz WTZNXUGOHLXBAZ-MSUIBNMNSA-N 0 0 688.777 7.228 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H]2Cc3ccnc(c3)Nc3ccc4cc(O)ccc4c3CC[C@@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O ZINC000085625724 565159183 /nfs/dbraw/zinc/15/91/83/565159183.db2.gz OKVWYAXLFZICNP-GSOZQLGUSA-N 0 0 664.755 6.660 1 10 biogenic,in-vitro KKCFRN CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(O[C@@H]3CCC4(CCCC4)C3)c2)C1 ZINC000085597273 291904271 /nfs/dbraw/zinc/90/42/71/291904271.db2.gz SERAKBHHUBLWKH-MLSLEFIRSA-N 0 0 608.772 7.791 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](C(=O)C[C@H](CCc1ccccc1)c1ccc(O)c(OC)c1)[C@H](O)CCc1ccc(O)c(O)c1 ZINC000085626257 291931414 /nfs/dbraw/zinc/93/14/14/291931414.db2.gz FUKDXANPPSWCSQ-RZDMPUFOSA-N 0 0 534.693 6.678 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccc(O)cc3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627555 291933861 /nfs/dbraw/zinc/93/38/61/291933861.db2.gz KYTHIACEFUUKJV-OCUZPWFOSA-N 0 0 595.777 6.206 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O ZINC000085625850 291968418 /nfs/dbraw/zinc/96/84/18/291968418.db2.gz IZEZIINPJPVWHI-JWQCQUIFSA-N 0 0 550.648 5.150 1 10 biogenic,in-vitro KKCFRN Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935902 561681125 /nfs/dbraw/zinc/68/11/25/561681125.db2.gz SHWUOIMPXWMTID-CVDCTZTESA-N 0 0 503.755 5.650 1 10 KKCFRN Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935900 561681146 /nfs/dbraw/zinc/68/11/46/561681146.db2.gz SHWUOIMPXWMTID-WMZHIEFXSA-N 0 0 503.755 5.650 1 10 KKCFRN Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cc(Br)ccc2F)N1 ZINC000002936341 561681316 /nfs/dbraw/zinc/68/13/16/561681316.db2.gz UURLLHBJUTYWQS-CVDCTZTESA-N 0 0 503.755 5.650 1 10 KKCFRN CCCC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000003920658 561685642 /nfs/dbraw/zinc/68/56/42/561685642.db2.gz IHADAHMXUIVHEE-QKDODKLFSA-N 0 0 585.786 5.047 1 10 KKCFRN COc1ccc([C@]2(Cc3ccncc3)C(=O)c3ccc(OCc4ccccc4)cc3C2=O)cc1OC1CCCC1 ZINC000003950814 561690498 /nfs/dbraw/zinc/69/04/98/561690498.db2.gz OGBJRNXYVDSUAD-UUWRZZSWSA-N 0 0 533.624 6.550 1 10 KKCFRN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579491 561696799 /nfs/dbraw/zinc/69/67/99/561696799.db2.gz UKPHYSSKYLMCEI-DEOSSOPVSA-N 0 0 574.105 5.757 1 10 KKCFRN CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(C)c3)c2-c2ccccc2)cc1 ZINC000005832951 561698903 /nfs/dbraw/zinc/69/89/03/561698903.db2.gz BJAQMUQSJYOMHN-ULDVOPSXSA-N 0 0 543.627 8.009 1 10 KKCFRN Cc1cc2c3c(c1-c1c4c5c(c(O)c(O)c(C(C)C)c5cc1C)C(=O)O4)OC(=O)c3c(O)c(O)c2C(C)C ZINC000013435906 561711844 /nfs/dbraw/zinc/71/18/44/561711844.db2.gz HWMRUPZOGNOXNE-UHFFFAOYSA-N 0 0 514.530 6.411 1 10 KKCFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026290606 561780542 /nfs/dbraw/zinc/78/05/42/561780542.db2.gz WVSMDKHZUWGJKS-UHFFFAOYSA-N 0 0 566.610 5.631 1 10 KKCFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026375482 561781809 /nfs/dbraw/zinc/78/18/09/561781809.db2.gz WVEJYIOIISSSGG-UHFFFAOYSA-N 0 0 581.625 5.069 1 10 KKCFRN O=C([O-])CCCCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000026937314 561827654 /nfs/dbraw/zinc/82/76/54/561827654.db2.gz UNMPTUQWGXCWCY-UHFFFAOYSA-N 0 0 518.617 7.963 1 10 KKCFRN CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(N(CC[C@H](C)O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000027430288 561859256 /nfs/dbraw/zinc/85/92/56/561859256.db2.gz MTUGVNCYQNDKSG-UVMMSNCQSA-N 0 0 592.825 5.834 1 10 KKCFRN COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C3=O ZINC000027521171 561863884 /nfs/dbraw/zinc/86/38/84/561863884.db2.gz USNYAFVSTLYFRK-UHFFFAOYSA-N 0 0 533.580 5.925 1 10 KKCFRN Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000028000334 561894492 /nfs/dbraw/zinc/89/44/92/561894492.db2.gz JSPLWJPGZZKDHK-GOJCVTOHSA-N 0 0 718.686 6.176 1 10 KKCFRN CCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028002671 561894950 /nfs/dbraw/zinc/89/49/50/561894950.db2.gz OJXSWIXEHUHCSQ-BNHMMOKISA-N 0 0 704.659 6.011 1 10 KKCFRN CC(C)CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028008952 561896089 /nfs/dbraw/zinc/89/60/89/561896089.db2.gz AQEQOICEGIXCOS-BNHMMOKISA-N 0 0 719.674 5.652 1 10 KKCFRN O=C(CC1(CC(=O)c2ccc(F)cc2F)C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1F ZINC000028475465 561927846 /nfs/dbraw/zinc/92/78/46/561927846.db2.gz YDBQQPRWAHHCPH-UHFFFAOYSA-N 0 0 629.393 7.377 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000028822654 561967428 /nfs/dbraw/zinc/96/74/28/561967428.db2.gz FNDHUKYBAOARSS-DEOSSOPVSA-N 0 0 521.060 8.176 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000028822634 561967455 /nfs/dbraw/zinc/96/74/55/561967455.db2.gz VHCIXKBCWCVYKP-UHFFFAOYSA-N 0 0 508.021 7.010 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(C(=O)Nc2ccccc2)c1 ZINC000028822647 561967474 /nfs/dbraw/zinc/96/74/74/561967474.db2.gz WKMSYVVMAYCQBJ-UHFFFAOYSA-N 0 0 573.437 8.325 1 10 KKCFRN O=C1NC(=S)S[C@H]1Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccc(Cl)cc1 ZINC000028822903 561967573 /nfs/dbraw/zinc/96/75/73/561967573.db2.gz DYWQXVSHQBNSSU-INIZCTEOSA-N 0 0 514.019 5.896 1 10 KKCFRN CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000029467980 562024891 /nfs/dbraw/zinc/02/48/91/562024891.db2.gz MOHNWVMMWCTSCG-DYKQPOOOSA-N 0 0 684.792 5.745 1 10 KKCFRN CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2c(OC)cccc21 ZINC000029475299 562026314 /nfs/dbraw/zinc/02/63/14/562026314.db2.gz PPDCKRQEMMPNMG-UHFFFAOYSA-N 0 0 501.406 5.316 1 10 KKCFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC3CCCCCCC3)cccc21 ZINC000029486689 562028483 /nfs/dbraw/zinc/02/84/83/562028483.db2.gz WWEQFJLQOVRRHB-UHFFFAOYSA-N 0 0 546.693 6.354 1 10 KKCFRN CCN(CC)c1ccc([C@H]2SCC(=O)N2c2ccc(NC(=O)c3ccc(N4C(=O)CS[C@H]4c4ccc(N(CC)CC)cc4)cc3)cc2)cc1 ZINC000029493258 562029346 /nfs/dbraw/zinc/02/93/46/562029346.db2.gz DPCFACMOQFGJRP-ZESVVUHVSA-N 0 0 693.939 8.189 1 10 KKCFRN NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000038146285 562065152 /nfs/dbraw/zinc/06/51/52/562065152.db2.gz FUMVJRQOEAFJCB-XMMPIXPASA-N 0 0 565.468 5.163 3 10 KKCFRN O=C(N1CCC2(CC1)CC(=O)c1cc(N3CCOCC3)ccc1O2)N1c2ccccc2CCc2ccccc21 ZINC000040936100 562085070 /nfs/dbraw/zinc/08/50/70/562085070.db2.gz SWNHETPSFLEZEP-UHFFFAOYSA-N 0 0 523.633 5.380 1 10 KKCFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)c(O)c6)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000042806632 562089792 /nfs/dbraw/zinc/08/97/92/562089792.db2.gz DYOQDMIWQJGRQY-YIEOTUJOSA-N 0 0 620.871 7.789 1 10 KKCFRN CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCCO ZINC000085627661 560068750 /nfs/dbraw/zinc/06/87/50/560068750.db2.gz OFJOCQFXVQCVAJ-XTEPFMGCSA-N 0 0 547.733 5.174 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)CC[C@@H]2CCC(C)C)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627570 560068817 /nfs/dbraw/zinc/06/88/17/560068817.db2.gz LTMVEHNLLOJDOF-TWLDFKIOSA-N 0 0 559.788 6.836 1 10 biogenic,in-vitro KKCFRN NS(=O)(=O)c1ccc(N=Nc2ccc(OC(=O)Nc3ccccc3)c(OC(=O)Nc3ccccc3)c2)cc1 ZINC000043532114 562649255 /nfs/dbraw/zinc/64/92/55/562649255.db2.gz GSZWZSRNHIQEMV-NVQSTNCTSA-N 0 0 531.550 5.971 1 10 KKCFRN CN1CCc2cc(OCCOc3cc4c5c(c3)-c3c(O)c(O)ccc3C[C@H]5N(C)CC4)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000044280648 562652898 /nfs/dbraw/zinc/65/28/98/562652898.db2.gz KWKONXOZQQYOJW-VSGBNLITSA-N 0 0 592.692 5.471 1 10 in-vivo KKCFRN Cc1cc2c(cc1N1CCOCC1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2 ZINC000044350939 562654404 /nfs/dbraw/zinc/65/44/04/562654404.db2.gz ZDMCRLXSSSUEHB-UHFFFAOYSA-N 0 0 573.693 6.201 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418956 562657394 /nfs/dbraw/zinc/65/73/94/562657394.db2.gz YDKYBTAVXJESJH-MHEMTQTFSA-N 0 0 535.442 6.383 1 10 KKCFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CSc2nccs2)c1 ZINC000045288192 562660274 /nfs/dbraw/zinc/66/02/74/562660274.db2.gz JSUWZYUNBGAPDY-UHFFFAOYSA-N 0 0 500.452 5.805 1 10 KKCFRN CC(C)(C)OC(=O)N(Cc1cc(-n2nnnc2C(F)(F)F)ccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 ZINC000049605652 562666179 /nfs/dbraw/zinc/66/61/79/562666179.db2.gz OIXDKAPYYHAEAP-UPVQGACJSA-N 0 0 618.657 6.265 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)NCc2ccccn2)cc1 ZINC000049627053 562667504 /nfs/dbraw/zinc/66/75/04/562667504.db2.gz XGDJAANRQRIKHH-QNGWXLTQSA-N 0 0 636.752 7.237 1 10 KKCFRN CCCCc1nc(Cl)c(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000049694967 562670030 /nfs/dbraw/zinc/67/00/30/562670030.db2.gz JNLSCNVEDXJZER-UHFFFAOYSA-N 0 0 587.080 5.862 1 10 KKCFRN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCN(C)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000049757077 562675503 /nfs/dbraw/zinc/67/55/03/562675503.db2.gz KYVRWAGUEBMRLC-UHFFFAOYSA-N 0 0 632.194 5.745 1 10 KKCFRN COc1ccc([C@@H]2[C@H](CCn3cc(CO[C@@H]4Cc5c(O)cc(O)cc5O[C@@H]4c4ccc(O)c(O)c4)nn3)C(=O)N2c2ccccc2)cc1 ZINC000049780547 562681859 /nfs/dbraw/zinc/68/18/59/562681859.db2.gz PEQVSULRBJRWAE-WFCQOVNTSA-N 0 0 650.688 5.165 1 10 KKCFRN CCCCc1nc(Cl)c([C@H]2CC(c3cc(Cl)c(C)cc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049781077 562682608 /nfs/dbraw/zinc/68/26/08/562682608.db2.gz ZMEKGJVRFLJHIZ-OAQYLSRUSA-N 0 0 560.938 8.206 1 10 KKCFRN CCCCCC1(CCCCC)OC(=O)[C@@]2(C[C@H]3OC(CCCCC)(CCCCC)O[C@H]3[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1 ZINC000049898485 562692576 /nfs/dbraw/zinc/69/25/76/562692576.db2.gz NRNYWYFXVWMHIE-PDQSXYMZSA-N 0 0 658.873 8.627 1 10 KKCFRN COc1ccc(N2CCN(c3nc4ncn(C(C)C)c4c(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053239449 562696749 /nfs/dbraw/zinc/69/67/49/562696749.db2.gz VAEZRZMYYUGCFP-UHFFFAOYSA-N 0 0 541.744 6.871 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O[C@H](c5ccc(F)cc5F)[C@H]5CO[C@H](Cn6cncn6)C5)cc4)CC3)cc2)c1=O ZINC000058574904 562699572 /nfs/dbraw/zinc/69/95/72/562699572.db2.gz HFXOHCFJBALMPL-UBYAZLFGSA-N 0 0 670.765 5.427 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccccc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058649924 562701266 /nfs/dbraw/zinc/70/12/66/562701266.db2.gz KGSWLVMXFHRRJV-UHFFFAOYSA-N 0 0 676.809 9.989 1 10 KKCFRN CC(C)c1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)C23C(=O)c2ccccc2C3=O)cc1 ZINC000064549817 562708129 /nfs/dbraw/zinc/70/81/29/562708129.db2.gz UZFBNKYPPKQVFS-QRQMUESOSA-N 0 0 529.061 5.849 1 10 KKCFRN CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000066252714 562714815 /nfs/dbraw/zinc/71/48/15/562714815.db2.gz IJLNBIAYVYNMEP-YNTSDTHISA-N 0 0 566.691 7.392 1 10 KKCFRN Oc1ccc2cc(Br)ccc2c1-c1cc2nc3ccccc3nc2c2ccc(Br)cc21 ZINC000072110966 562721895 /nfs/dbraw/zinc/72/18/95/562721895.db2.gz CHRVVMJFMGPVHU-UHFFFAOYSA-N 0 0 530.219 7.987 1 10 KKCFRN CCN(CC)c1ccc(/C=C/C2=[NH+]N(c3cccc(S(=O)(=O)[O-])c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000073278472 562737379 /nfs/dbraw/zinc/73/73/79/562737379.db2.gz XVOPTXISUUVNFQ-RNTOTWSWSA-N 0 0 619.794 6.103 1 10 KKCFRN CN(C)c1ccc([C@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@H]5c5ccc(N(C)C)cc5)nc4cc3s2)cc1 ZINC000082195549 562742725 /nfs/dbraw/zinc/74/27/25/562742725.db2.gz AEFVIBMEMPNIPL-HNRBIFIRSA-N 0 0 632.862 6.595 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@H](c1ccc(Cl)cc1)[C@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000084462361 562743104 /nfs/dbraw/zinc/74/31/04/562743104.db2.gz JCHBJPWKVVPENR-LEAFIULHSA-N 0 0 524.492 5.635 1 10 KKCFRN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCCCNc1c3ccccc3nc3cccc([N+](=O)[O-])c31)C(=O)OC2 ZINC000084672015 562748728 /nfs/dbraw/zinc/74/87/28/562748728.db2.gz CGWKRTBKMBHEEO-DEDYPNTBSA-N 0 0 612.683 6.267 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCNS(=O)(=O)c1ccccc1 ZINC000084705170 562749876 /nfs/dbraw/zinc/74/98/76/562749876.db2.gz FAHAVPSYBZLQPM-UHFFFAOYSA-N 0 0 500.620 5.142 1 10 KKCFRN NC(=O)c1cccc(Oc2ccc(/C=C3\SC(=S)N(c4ccc(OCCCN5CCOCC5)cc4)C3=O)cc2)c1 ZINC000084705099 562749880 /nfs/dbraw/zinc/74/98/80/562749880.db2.gz AWPABIGHRUBRAT-DIBXZPPDSA-N 0 0 575.712 5.085 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000084710427 562750538 /nfs/dbraw/zinc/75/05/38/562750538.db2.gz HQMMPJAELDCJON-UHFFFAOYSA-N 0 0 542.701 6.312 1 10 KKCFRN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCCCCNc1c3ccccc3nc3cccc([N+](=O)[O-])c31)C(=O)OC2 ZINC000084729535 562751585 /nfs/dbraw/zinc/75/15/85/562751585.db2.gz WHFLINLTLAKRCH-KGENOOAVSA-N 0 0 626.710 6.657 1 10 KKCFRN O=C1CS[C@@H](c2ccccc2O)N1c1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(N2C(=O)CS[C@H]2c2ccccc2O)ccc1N=3 ZINC000095550567 562760263 /nfs/dbraw/zinc/76/02/63/562760263.db2.gz FPEDOGBHCJYZEI-ZPGRZCPFSA-N 0 0 741.634 8.076 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)C(=C4C(=O)Nc5ccc(Br)cc54)S3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095555235 562761478 /nfs/dbraw/zinc/76/14/78/562761478.db2.gz RPCSQXKJEVGIOT-KXZZPGAFSA-N 0 0 593.890 6.905 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3\C(=O)Nc4ccc(Cl)cc43)S2)cc1 ZINC000095556638 562761864 /nfs/dbraw/zinc/76/18/64/562761864.db2.gz BFNFYQXCENNDHE-BJAIWJEPSA-N 0 0 528.037 5.550 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccccc3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095558883 562762569 /nfs/dbraw/zinc/76/25/69/562762569.db2.gz ZUAYYQMESYRGGR-UHFFFAOYSA-N 0 0 504.033 7.868 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095561769 562763506 /nfs/dbraw/zinc/76/35/06/562763506.db2.gz YOSYTVBBOIHARH-UHFFFAOYSA-N 0 0 594.111 7.894 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3ccc(C)cc3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095562238 562763639 /nfs/dbraw/zinc/76/36/39/562763639.db2.gz TUHJTDNBTVOIDE-UHFFFAOYSA-N 0 0 518.060 8.176 1 10 KKCFRN COc1ccc(-c2ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCc3ccc(O)c(O)c3)C(C)(C)C)cc2)cc1 ZINC000095564169 562764239 /nfs/dbraw/zinc/76/42/39/562764239.db2.gz QGMMFKZFRXRRCM-LJAQVGFWSA-N 0 0 532.681 5.989 1 10 KKCFRN CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(Cl)c(Cl)c1 ZINC000096915652 562800991 /nfs/dbraw/zinc/80/09/91/562800991.db2.gz MBELAKXCNCRMKS-RUZDIDTESA-N 0 0 552.897 7.882 1 10 KKCFRN Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)CC2)cc(-c2cccc(Cl)c2)n1-c1ccccc1F ZINC000096922243 562801749 /nfs/dbraw/zinc/80/17/49/562801749.db2.gz XTYNTZGDHOHWLR-XIFFEERXSA-N 0 0 720.224 7.990 1 10 KKCFRN CO[C@@]12C(=C(c3ccccc3)C1c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934691 562803970 /nfs/dbraw/zinc/80/39/70/562803970.db2.gz GNUJEUMWYJVRKO-VCTRWQRLSA-N 0 0 533.580 6.554 1 10 KKCFRN CO[C@]12C(=C(c3ccccc3)C1c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934689 562803987 /nfs/dbraw/zinc/80/39/87/562803987.db2.gz GNUJEUMWYJVRKO-CMVGPNDKSA-N 0 0 533.580 6.554 1 10 KKCFRN COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CS[C@H]3c3ccc(Cl)cc3)cn4C3CC3)CC2)cc1 ZINC000098083289 562805425 /nfs/dbraw/zinc/80/54/25/562805425.db2.gz VOWAOOHGTDCKKH-XIFFEERXSA-N 0 0 648.160 5.383 1 10 KKCFRN COc1ccc(-n2c(=O)c3c([nH]c2=S)NC(=O)N(N=Nc2ccc(Cl)cc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000101014179 562808676 /nfs/dbraw/zinc/80/86/76/562808676.db2.gz XLDOCUSQLINHID-LCYJPPDJSA-N 0 0 553.431 6.846 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3cccc(O)c3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101016895 562808695 /nfs/dbraw/zinc/80/86/95/562808695.db2.gz MIEBKPIXVYYIAA-BKWYIPCTSA-N 0 0 539.404 6.543 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccc(O)cc3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101479585 562810897 /nfs/dbraw/zinc/81/08/97/562810897.db2.gz VBBYGFZLFPBEDA-BKWYIPCTSA-N 0 0 539.404 6.543 1 10 KKCFRN C=C([NH2+]CCCn1c2c(c3ccc(NC(=O)CCCCC(=O)[O-])cc3c1=O)C(=O)c1ccccc1-2)OC(C)(C)C ZINC000101655953 562811558 /nfs/dbraw/zinc/81/15/58/562811558.db2.gz UVUNYLJRSVGEQG-UHFFFAOYSA-N 0 0 545.636 5.062 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3cc4cc(O)ccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000103174425 562815024 /nfs/dbraw/zinc/81/50/24/562815024.db2.gz ZLCUISAOGBKBPT-SSEXGKCCSA-N 0 0 580.648 6.633 1 10 KKCFRN COc1ccccc1/C=C1/SC(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)=NC1=O ZINC000103186468 562815447 /nfs/dbraw/zinc/81/54/47/562815447.db2.gz XNKLWDTXCSAMHV-YQNSVDCASA-N 0 0 552.881 6.933 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1ccccc1 ZINC000103187692 562815514 /nfs/dbraw/zinc/81/55/14/562815514.db2.gz UPKULIHGWJCMLG-DHNIJCFSSA-N 0 0 522.855 6.924 1 10 KKCFRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc4oc(-c5ccccc5)cc(=O)c4c3)C2=O)cc1OC ZINC000103197234 562815905 /nfs/dbraw/zinc/81/59/05/562815905.db2.gz RNPPXYIREYNOTF-YZSQISJMSA-N 0 0 528.564 6.312 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103221402 562817469 /nfs/dbraw/zinc/81/74/69/562817469.db2.gz DVXFMKPVGLHTKR-NVQSTNCTSA-N 0 0 529.984 7.090 1 10 KKCFRN O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1)[n+]1[n-]c(=S)sc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103223793 562817525 /nfs/dbraw/zinc/81/75/25/562817525.db2.gz BKPQFVYWCFZGAM-UHFFFAOYSA-O 0 0 598.089 6.990 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Cl ZINC000103236089 562818819 /nfs/dbraw/zinc/81/88/19/562818819.db2.gz QUPLOXUNVLUZKY-AREMUKBSSA-N 0 0 543.896 5.221 1 10 KKCFRN Cc1nc(-c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccc(-c5ccc(Cl)cc5)o4)SC3=S)cc2)no1 ZINC000103282172 562823625 /nfs/dbraw/zinc/82/36/25/562823625.db2.gz ZNJSPVJGUMZFRI-MTJSOVHGSA-N 0 0 537.022 5.798 1 10 KKCFRN CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccc(N(C)C)cc2)C1=O ZINC000116618432 562829468 /nfs/dbraw/zinc/82/94/68/562829468.db2.gz YXVPHPXAIHMSTJ-WJOKGBTCSA-N 0 0 601.666 6.409 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592851 562846347 /nfs/dbraw/zinc/84/63/47/562846347.db2.gz IRWPDUIIPLGLGQ-IFMMSNDMSA-N 0 0 684.891 8.374 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592867 562846359 /nfs/dbraw/zinc/84/63/59/562846359.db2.gz AKYJOLIKAAZPST-FOOQUIGWSA-N 0 0 657.821 8.013 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cccc3C)C2=O)cc1F ZINC000150604250 562847654 /nfs/dbraw/zinc/84/76/54/562847654.db2.gz HARJPLSZHSEVBF-XAYXJRQQSA-N 0 0 681.765 6.871 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326976 562857951 /nfs/dbraw/zinc/85/79/51/562857951.db2.gz TURUXYRZXZQFMF-OLRZCDJHSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc21 ZINC000169327047 562857957 /nfs/dbraw/zinc/85/79/57/562857957.db2.gz IFYHDNAFNWCGPV-AYLZSAKASA-N 0 0 587.565 6.169 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327031 562857982 /nfs/dbraw/zinc/85/79/82/562857982.db2.gz WDYIUGPZBKYXEJ-JWRCQZCYSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327045 562858013 /nfs/dbraw/zinc/85/80/13/562858013.db2.gz XKVIREVAZLSBIJ-HPGBDJQBSA-N 0 0 537.505 5.016 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327068 562858067 /nfs/dbraw/zinc/85/80/67/562858067.db2.gz PUZAGNJBSXUXEW-RBSBEOHCSA-N 0 0 551.532 5.324 1 10 KKCFRN C[C@H]1CN(c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000169369712 562864718 /nfs/dbraw/zinc/86/47/18/562864718.db2.gz HPWUXBOOEFNNHT-NEKDWFFYSA-N 0 0 506.090 5.243 1 10 KKCFRN COc1ccc([C@@H](Nc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c(OC)c1OC ZINC000203772047 562874079 /nfs/dbraw/zinc/87/40/79/562874079.db2.gz OYGCVJIFXAIWEU-NRFANRHFSA-N 0 0 500.382 6.178 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000299825543 562883590 /nfs/dbraw/zinc/88/35/90/562883590.db2.gz LIKQLUNHIMOYGM-XSSWQJIQSA-N 0 0 598.309 6.900 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccc(N(C)C)cc3)SC2=S)c1 ZINC000299831113 562885456 /nfs/dbraw/zinc/88/54/56/562885456.db2.gz NOLNXQXXLBYFFG-QUCUAOCBSA-N 0 0 542.686 5.735 1 10 KKCFRN CCOP(=O)(OCC)[C@@H]([NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000299836665 562887302 /nfs/dbraw/zinc/88/73/02/562887302.db2.gz OIIZBHWROJHQBB-XFBWMNOSSA-N 0 0 572.683 7.989 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473083252 562896763 /nfs/dbraw/zinc/89/67/63/562896763.db2.gz BHKRAMRKNCFPEK-GKZBKZLQSA-N 0 0 618.773 6.859 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)N=C2c2ccccc2)cc1 ZINC000473113228 562898769 /nfs/dbraw/zinc/89/87/69/562898769.db2.gz IALFDZHNEPROSR-BRPDVVIDSA-N 0 0 517.585 5.856 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)N=C2c2ccccc2)c1 ZINC000473115342 562899018 /nfs/dbraw/zinc/89/90/18/562899018.db2.gz SEMPYBYEGODUIH-CEUNXORHSA-N 0 0 517.585 5.856 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134422 562900559 /nfs/dbraw/zinc/90/05/59/562900559.db2.gz CDLRVIRJWNRYQZ-RRQRISAPSA-N 0 0 570.114 7.624 1 10 KKCFRN Cc1nn2ccccc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136598 562901073 /nfs/dbraw/zinc/90/10/73/562901073.db2.gz SLBAWFQLVLAQDN-UHFFFAOYSA-N 0 0 508.544 5.855 1 10 KKCFRN COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1 ZINC000473154693 562902240 /nfs/dbraw/zinc/90/22/40/562902240.db2.gz KKIIXVXWIAXOEQ-UHFFFAOYSA-N 0 0 536.553 5.469 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473248720 562905096 /nfs/dbraw/zinc/90/50/96/562905096.db2.gz QCNMQNPPXJNNLC-XFBUIYPHSA-N 0 0 650.793 7.884 1 10 KKCFRN COc1ccc(C[C@@H]2c3ccc(N4CCCCC4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474602409 562905171 /nfs/dbraw/zinc/90/51/71/562905171.db2.gz BHKCPSGYZVNRJN-GDLZYMKVSA-N 0 0 513.682 5.152 1 10 KKCFRN Cc1ccc(NC(=O)c2ccc(Cn3cc(Cn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653905241 562917573 /nfs/dbraw/zinc/91/75/73/562917573.db2.gz UNHZPLRZVPHLNV-UHFFFAOYSA-N 0 0 721.781 7.057 1 10 KKCFRN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)c(c2-5)[C@@H](O)N4)cc(OC2CCCC2)c1O ZINC000085567525 565142875 /nfs/dbraw/zinc/14/28/75/565142875.db2.gz WYWNUSWLRLVAJJ-AGBOLJPYSA-N 0 0 653.728 5.891 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](Cc1ccc(O)c(OC2CCCCC2)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597257 565157024 /nfs/dbraw/zinc/15/70/24/565157024.db2.gz DLJAIJLPTIQWJO-WPICFOCKSA-N 0 0 661.836 8.122 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O ZINC000085625788 291968446 /nfs/dbraw/zinc/96/84/46/291968446.db2.gz VQJQPRXNULOVTL-CZNDPXEESA-N 0 0 680.798 7.199 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@]2(c3ccnc(N)c3)CCC[C@H]2Cc2ccc[nH]2)ccc1O ZINC000085625681 291969243 /nfs/dbraw/zinc/96/92/43/291969243.db2.gz UNCMKGWLXYEFOG-MWWHQNIVSA-N 0 0 698.881 6.811 1 10 biogenic,in-vitro KKCFRN CC(C)=CCC/C(C)=C/CC1=C2OC(C)(C)C=CC2=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C1=O ZINC000001662798 561679220 /nfs/dbraw/zinc/67/92/20/561679220.db2.gz HHAZEOQNUWGOLG-RQZCQDPDSA-N 0 0 504.579 6.702 1 10 KKCFRN Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934360 561681184 /nfs/dbraw/zinc/68/11/84/561681184.db2.gz UDFHQOOPLNZWLW-CVDCTZTESA-N 0 0 530.216 5.620 1 10 KKCFRN COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000002935891 561681203 /nfs/dbraw/zinc/68/12/03/561681203.db2.gz GWUPKQQJJRUFIC-YADARESESA-N 0 0 515.791 5.519 1 10 KKCFRN Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cc(Br)ccc2F)N1 ZINC000002936339 561681280 /nfs/dbraw/zinc/68/12/80/561681280.db2.gz UURLLHBJUTYWQS-XXBNENTESA-N 0 0 503.755 5.650 1 10 KKCFRN Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cc(Br)ccc2F)N1 ZINC000002936334 561681283 /nfs/dbraw/zinc/68/12/83/561681283.db2.gz UURLLHBJUTYWQS-AUSIDOKSSA-N 0 0 503.755 5.650 1 10 KKCFRN Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935906 561681327 /nfs/dbraw/zinc/68/13/27/561681327.db2.gz QCLDDWCFAWESIF-WMZHIEFXSA-N 0 0 548.206 5.759 1 10 KKCFRN Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3[N+](=O)[O-])c2-c2ccccc2)cc1 ZINC000005832974 561698879 /nfs/dbraw/zinc/69/88/79/561698879.db2.gz LZYQOVFIHFINLY-YHZPTAEISA-N 0 0 544.571 7.518 1 10 KKCFRN O=C1c2ccccc2C(=O)C1=c1cc2c(c3ccccc31)=N[C@]13CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)N23 ZINC000006040703 561702079 /nfs/dbraw/zinc/70/20/79/561702079.db2.gz VZUHURHOGWDWGS-XIPULUTASA-N 0 0 570.692 7.234 1 10 KKCFRN CCCCOC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(=O)OCCCC)cc(OCCC)cc1C2=O ZINC000013454776 561713660 /nfs/dbraw/zinc/71/36/60/561713660.db2.gz RWILLFCERJAPBL-UHFFFAOYSA-N 0 0 512.555 6.190 1 10 KKCFRN CCOc1ccc(S(=O)(=O)N(CCC(=O)N=NC2c3ccccc3NC2=O)c2ccc(C)cc2)cc1 ZINC000013677311 561724144 /nfs/dbraw/zinc/72/41/44/561724144.db2.gz PJOYUFYVLCJASN-ZQHSETAFSA-N 0 0 506.584 5.477 1 10 KKCFRN CC(C)=CCc1cc(O)c(O)c(CC=C(C)C)c1[C@H]1Oc2c(CC=C(C)C)c(O)cc(O)c2C(=O)[C@@H]1O ZINC000014648815 561739857 /nfs/dbraw/zinc/73/98/57/561739857.db2.gz DDKWTXSGQOKXGP-MFMCTBQISA-N 0 0 508.611 5.712 1 10 biogenic,in-vitro KKCFRN Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c1 ZINC000015936212 561753314 /nfs/dbraw/zinc/75/33/14/561753314.db2.gz SENKXHWSXCDTNF-SANMLTNESA-N 0 0 514.626 5.017 3 10 KKCFRN CC(=O)OC[C@@]1(CC(=O)C(=O)C(C)C)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027622620 561872626 /nfs/dbraw/zinc/87/26/26/561872626.db2.gz GOYKGQVTKQFHTR-XUZHXVEESA-N 0 0 572.783 6.290 1 10 KKCFRN CCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027994696 561893673 /nfs/dbraw/zinc/89/36/73/561893673.db2.gz AOAKKNSKEKISTJ-CYEXUTLASA-N 0 0 690.632 5.540 1 10 KKCFRN Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000028000327 561894544 /nfs/dbraw/zinc/89/45/44/561894544.db2.gz JSPLWJPGZZKDHK-PZSMLTKBSA-N 0 0 718.686 6.176 1 10 KKCFRN CC(C)(C)OC(=O)NCCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000028642622 561943611 /nfs/dbraw/zinc/94/36/11/561943611.db2.gz OLIZVMKUHOCYPM-UHFFFAOYSA-N 0 0 530.709 7.639 1 10 KKCFRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC(=S)N1c1ccccc1 ZINC000028703320 561947742 /nfs/dbraw/zinc/94/77/42/561947742.db2.gz GUOQZXSWORMPOD-TURZUDJPSA-N 0 0 509.652 7.250 1 10 KKCFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704550 561948716 /nfs/dbraw/zinc/94/87/16/561948716.db2.gz VSEHBVQBRHSHRV-LJAQVGFWSA-N 0 0 589.692 5.634 1 10 KKCFRN Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000028822633 561967485 /nfs/dbraw/zinc/96/74/85/561967485.db2.gz KESTYLNXDONXHT-UHFFFAOYSA-N 0 0 507.033 7.615 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(-c2c[nH]cn2)cc1 ZINC000028822674 561967636 /nfs/dbraw/zinc/96/76/36/561967636.db2.gz ZRYUOFWENXULAQ-UHFFFAOYSA-N 0 0 520.377 7.463 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(-c2noc(C)n2)c1 ZINC000028822668 561967644 /nfs/dbraw/zinc/96/76/44/561967644.db2.gz OQSDBYFLHHECIP-UHFFFAOYSA-N 0 0 536.376 7.431 1 10 KKCFRN COC(=O)[C@@H](NCc1cc2ccccc2c(-c2c(O)c(CN[C@H](C(=O)OC)C(C)C)cc3ccccc32)c1O)C(C)C ZINC000028861956 561971806 /nfs/dbraw/zinc/97/18/06/561971806.db2.gz HOTJVCIZZQAYQZ-KYJUHHDHSA-N 0 0 572.702 5.646 1 10 KKCFRN CCCCOC(=O)Oc1cc(OC(=O)OCCCC)c2c(c1)C(=O)c1cc(C)cc(OC(=O)OCCCC)c1C2=O ZINC000029344748 562016007 /nfs/dbraw/zinc/01/60/07/562016007.db2.gz NVDYOLNFHCURBN-UHFFFAOYSA-N 0 0 570.591 6.717 1 10 KKCFRN COc1ccc(C[N@H+](CCc2ccccc2)Cc2c([O-])ccc3c(=O)cc(/C=C/c4ccccc4)oc32)cc1 ZINC000035048754 562044479 /nfs/dbraw/zinc/04/44/79/562044479.db2.gz PAJLHKXXTQEPAK-SFQUDFHCSA-N 0 0 517.625 6.923 1 10 KKCFRN COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146143 562064876 /nfs/dbraw/zinc/06/48/76/562064876.db2.gz NIAUTMRXPNBCHJ-LBNVMWSVSA-N 0 0 525.649 5.405 3 10 KKCFRN Cc1cc(OCC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040933887 562084603 /nfs/dbraw/zinc/08/46/03/562084603.db2.gz UAXMKKYXZZBCAQ-QHCPKHFHSA-N 0 0 512.349 5.748 1 10 KKCFRN COc1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000043021957 562644941 /nfs/dbraw/zinc/64/49/41/562644941.db2.gz WNFINFGFRHVQSV-MUUNZHRXSA-N 0 0 567.605 6.576 1 10 KKCFRN Cn1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)c2ccncc21 ZINC000043023756 562645044 /nfs/dbraw/zinc/64/50/44/562645044.db2.gz XOGDMPWCKAPBRB-UHFFFAOYSA-N 0 0 545.643 6.008 1 10 KKCFRN COc1cccc(CCc2cc(OC)c(O)c3c2[C@@H](Cc2cccc(OC)c2)c2cc(O)c(O)c(OC)c2O3)c1 ZINC000043544012 562649556 /nfs/dbraw/zinc/64/95/56/562649556.db2.gz DIJWWMHOMAEIJB-QHCPKHFHSA-N 0 0 544.600 6.103 1 10 KKCFRN CCCCc1nc(Cl)c([C@H]2CC(c3cc(C)cc(I)c3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049781296 562682913 /nfs/dbraw/zinc/68/29/13/562682913.db2.gz CIQFMXOTHKPBER-OAQYLSRUSA-N 0 0 652.389 8.157 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccc(N4C(=O)c5ccccc5NC45CCCCC5)cc3)=NN2c2ccccc2)cc1 ZINC000049853530 562688986 /nfs/dbraw/zinc/68/89/86/562688986.db2.gz DDYULROLSNNWBD-UUWRZZSWSA-N 0 0 555.726 7.841 1 10 KKCFRN COc1ccc([C@@H](NC(=O)COc2ccc(Oc3ccccc3)cc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000049867330 562689454 /nfs/dbraw/zinc/68/94/54/562689454.db2.gz GDWYSXVODJRTDX-GDLZYMKVSA-N 0 0 541.003 6.679 1 10 KKCFRN COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)nn4CC(F)(F)F)n3)CC2(C)C)cc1 ZINC000053184451 562696390 /nfs/dbraw/zinc/69/63/90/562696390.db2.gz KRYUJWXMBZORSF-UHFFFAOYSA-N 0 0 517.600 5.390 1 10 KKCFRN CCC(=O)OC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OC)c(OCc2ccc(F)cc2)c1 ZINC000064527503 562706949 /nfs/dbraw/zinc/70/69/49/562706949.db2.gz IZRDBMOJGJWYDF-XKZIYDEJSA-N 0 0 553.384 5.873 1 10 KKCFRN COc1cc(-c2nnc(Cn3c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)c3-c3ccccc3)o2)ccc1O ZINC000066074693 562709903 /nfs/dbraw/zinc/70/99/03/562709903.db2.gz OHBZSUKGSKLEPL-UHFFFAOYSA-N 0 0 542.639 7.368 1 10 KKCFRN O=C1C(=Cc2ccc(-c3ccc(Cl)c(-c4nn[nH]n4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066104046 562711625 /nfs/dbraw/zinc/71/16/25/562711625.db2.gz JEFNMFHMWNSJOY-ZDLGFXPLSA-N 0 0 533.944 6.205 1 10 KKCFRN COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CC(=O)c5c(C=O)c(O)c(O)cc5[C@]4(C)CC[C@@]23C)CC1=O ZINC000066104240 562711668 /nfs/dbraw/zinc/71/16/68/562711668.db2.gz VDKFCMZNYZMXRF-QVTRRLDTSA-N 0 0 510.627 5.136 1 10 KKCFRN Cc1ccc(S(=O)(=O)n2cc(/C=C3/c4ccccc4N(c4c(Cl)cccc4Cl)C3=O)c3ccccc32)cc1 ZINC000072106197 562720937 /nfs/dbraw/zinc/72/09/37/562720937.db2.gz HCWKJIHJNUFQDR-ULJHMMPZSA-N 0 0 559.474 7.712 1 10 KKCFRN O=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000072106276 562720957 /nfs/dbraw/zinc/72/09/57/562720957.db2.gz LBKSOVGKFDUFOF-UHFFFAOYSA-N 0 0 525.608 6.264 1 10 KKCFRN CCCCc1nc(Cl)c(CNC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073275502 562737241 /nfs/dbraw/zinc/73/72/41/562737241.db2.gz HITALNRBRWCRJO-UHFFFAOYSA-N 0 0 586.096 5.435 1 10 KKCFRN COc1cc(N(Cc2ccc3oc(=O)c(-c4ccccc4)nc3c2)Cc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc(OC)c1OC ZINC000082178466 562741695 /nfs/dbraw/zinc/74/16/95/562741695.db2.gz RRTFMZNZNAAMCT-UHFFFAOYSA-N 0 0 653.691 7.256 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652140 562746420 /nfs/dbraw/zinc/74/64/20/562746420.db2.gz VUNQXCPCRPBTIY-OAQYLSRUSA-N 0 0 644.673 5.031 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000084729874 562751577 /nfs/dbraw/zinc/75/15/77/562751577.db2.gz YYDUKQVFOOAUHB-UHFFFAOYSA-N 0 0 579.516 5.904 1 10 KKCFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)C(=C3c4ccccc4NC3=O)S2)cc1 ZINC000095555853 562761670 /nfs/dbraw/zinc/76/16/70/562761670.db2.gz VIQXUGBGNJKSIV-FMIZDUHGSA-N 0 0 530.609 6.642 1 10 KKCFRN C(=C/c1cc(-c2ccccc2)c(/C=C/c2ccc(N3CCOCC3)cc2)nn1)\c1ccc(N2CCOCC2)cc1 ZINC000095576932 562770809 /nfs/dbraw/zinc/77/08/09/562770809.db2.gz BJKVYBWVKVZHHX-IRWMSUPXSA-N 0 0 530.672 6.158 1 10 KKCFRN CC(=O)Oc1c(/N=N/c2ccc(C3=N/C(=C/c4ccc(OC(F)(F)F)cc4)C(=O)O3)cc2)ccc2ccccc21 ZINC000095602828 562780220 /nfs/dbraw/zinc/78/02/20/562780220.db2.gz WPCCPPBKOMXRMR-BHIVDSRPSA-N 0 0 545.473 7.424 1 10 KKCFRN CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C\C=C\C1=[N+](CCCCCC(=O)NCCCC(=O)OCC[N+](C)(C)C)c2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000095607726 562783062 /nfs/dbraw/zinc/78/30/62/562783062.db2.gz ANQRHKUHPULDOJ-UHFFFAOYSA-P 0 0 803.057 5.520 1 10 KKCFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613594 562786414 /nfs/dbraw/zinc/78/64/14/562786414.db2.gz YWAAYMYTJPPBMD-WJQOWHJNSA-N 0 0 768.991 8.052 1 10 KKCFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1ccc(F)cc1 ZINC000096901584 562797146 /nfs/dbraw/zinc/79/71/46/562797146.db2.gz WKEQVKCATKZQJL-VWLOTQADSA-N 0 0 501.997 6.714 1 10 KKCFRN [O-]c1cc(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000096903334 562797910 /nfs/dbraw/zinc/79/79/10/562797910.db2.gz MRQKYKRXBVKEBG-UHFFFAOYSA-N 0 0 529.487 5.483 1 10 KKCFRN CO[C@]12C(=C(c3ccccc3)C1c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934690 562803940 /nfs/dbraw/zinc/80/39/40/562803940.db2.gz GNUJEUMWYJVRKO-SYBRLPANSA-N 0 0 533.580 6.554 1 10 KKCFRN COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CS[C@@H]3c3ccc(Cl)cc3)cn4C3CC3)CC2)cc1 ZINC000098083290 562805421 /nfs/dbraw/zinc/80/54/21/562805421.db2.gz VOWAOOHGTDCKKH-MGBGTMOVSA-N 0 0 648.160 5.383 1 10 KKCFRN COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CS[C@@H]3c3ccccc3Cl)cn4C3CC3)CC2)cc1 ZINC000098083288 562805426 /nfs/dbraw/zinc/80/54/26/562805426.db2.gz BLTIBOSXTORIAC-MGBGTMOVSA-N 0 0 648.160 5.383 1 10 KKCFRN Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000098085707 562805893 /nfs/dbraw/zinc/80/58/93/562805893.db2.gz QAIHFHUYVUSZFF-SSEXGKCCSA-N 0 0 685.420 7.277 1 10 KKCFRN Cc1cccc(-n2c(=O)c3c([nH]c2=S)NC(=O)N(N=Nc2ccc(Cl)cc2)[C@@H]3c2ccccc2Cl)c1 ZINC000101013551 562808655 /nfs/dbraw/zinc/80/86/55/562808655.db2.gz NYWUZTDBANMCGE-LCYJPPDJSA-N 0 0 537.432 7.146 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000103187756 562815504 /nfs/dbraw/zinc/81/55/04/562815504.db2.gz YSGYQHDZBQLZOU-IGPUNGKJSA-N 0 0 567.852 6.832 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000103208820 562816569 /nfs/dbraw/zinc/81/65/69/562816569.db2.gz SBIIHMMPIDTZAN-QNEJGDQOSA-N 0 0 564.429 7.744 1 10 KKCFRN COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000103210377 562816636 /nfs/dbraw/zinc/81/66/36/562816636.db2.gz ZNJGVOLIURCUHL-ULIFNZDWSA-N 0 0 553.877 8.489 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000103221335 562817452 /nfs/dbraw/zinc/81/74/52/562817452.db2.gz NCXPHBYFNQOMMG-QNEJGDQOSA-N 0 0 564.429 7.744 1 10 KKCFRN O=C1CS[C@@H](c2ccccc2O)N1c1ccc(CCc2ccc(N3C(=O)CS[C@H]3c3ccccc3O)cc2)cc1 ZINC000103280722 562823537 /nfs/dbraw/zinc/82/35/37/562823537.db2.gz VSEVEFPVCPLNEO-ACHIHNKUSA-N 0 0 568.720 6.440 1 10 KKCFRN Nc1ccc(Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)cc1 ZINC000117199177 562829678 /nfs/dbraw/zinc/82/96/78/562829678.db2.gz DPCRJLQPHJUXKZ-UHFFFAOYSA-N 0 0 539.851 5.939 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582296 562845517 /nfs/dbraw/zinc/84/55/17/562845517.db2.gz XHBXQCPNROVKPY-XLNFBEDTSA-N 0 0 675.576 7.374 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582290 562845547 /nfs/dbraw/zinc/84/55/47/562845547.db2.gz XHBXQCPNROVKPY-PRDAIKMNSA-N 0 0 675.576 7.374 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582850 562845615 /nfs/dbraw/zinc/84/56/15/562845615.db2.gz VIGKDECOPUEODR-PRDAIKMNSA-N 0 0 657.130 6.426 1 10 KKCFRN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(N(C)C)cc4)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585581 562845801 /nfs/dbraw/zinc/84/58/01/562845801.db2.gz YOFVXIZTTAUVDI-HXVVXTRNSA-N 0 0 679.802 7.093 1 10 KKCFRN O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1ccc(Cl)cc1)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1ccc(Cl)cc1 ZINC000150588448 562845979 /nfs/dbraw/zinc/84/59/79/562845979.db2.gz KCUOUOUGPDOMNL-MXUKMOFASA-N 0 0 863.842 8.929 1 10 KKCFRN CCc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(OC)cc3)CC2)ccc1OCC(=O)[O-] ZINC000162082663 562849240 /nfs/dbraw/zinc/84/92/40/562849240.db2.gz CESIUPFUCGHEPP-UHFFFAOYSA-N 0 0 657.780 7.478 1 10 KKCFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)c(=O)c2ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc2n3C)c[nH]1)C(C)C ZINC000164922213 562849818 /nfs/dbraw/zinc/84/98/18/562849818.db2.gz MVFJSQJCNRHRCS-IIFAZUGRSA-N 0 0 793.926 5.560 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327033 562857961 /nfs/dbraw/zinc/85/79/61/562857961.db2.gz WDYIUGPZBKYXEJ-SFNQZPIRSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327018 562857974 /nfs/dbraw/zinc/85/79/74/562857974.db2.gz LSQRPXQGVJTODR-CQGGRAHPSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331348 562858998 /nfs/dbraw/zinc/85/89/98/562858998.db2.gz WMQNMIIKEGBYTM-OLRZCDJHSA-N 0 0 571.950 5.669 1 10 KKCFRN Cc1cc(OCc2ccccc2Br)c2c(c1)C(=O)c1cccc(OCc3ccccc3Br)c1C2=O ZINC000169343718 562861223 /nfs/dbraw/zinc/86/12/23/562861223.db2.gz PDMVCMZQRBGRIF-UHFFFAOYSA-N 0 0 592.283 7.453 1 10 KKCFRN COc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(c7ccc(N)cc7)CC6)ccc5[nH]4)ccc3[nH]2)cc1OC ZINC000169352836 562863272 /nfs/dbraw/zinc/86/32/72/562863272.db2.gz FRKHWADEOAIBHW-UHFFFAOYSA-N 0 0 545.647 5.699 1 10 KKCFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N)cc2)nc1 ZINC000169352889 562863306 /nfs/dbraw/zinc/86/33/06/562863306.db2.gz GSWZWPCHADNCPV-UHFFFAOYSA-N 0 0 506.488 5.634 1 10 KKCFRN COC(=O)CCC=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000169699258 562867548 /nfs/dbraw/zinc/86/75/48/562867548.db2.gz FJVQWCXYFKISOQ-VZUYHUTRSA-N 0 0 607.664 5.275 1 10 KKCFRN Cc1c([C@@H](c2cccc(Cl)c2)C2O[C@H]3C(=C2C)C(=O)C(=O)c2c4c(ccc23)C(C)(C)CCC4)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000195348063 562871684 /nfs/dbraw/zinc/87/16/84/562871684.db2.gz DZAQEUPJBGFLJC-OIKNBWITSA-N 0 0 713.270 10.074 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000204507345 562874586 /nfs/dbraw/zinc/87/45/86/562874586.db2.gz DSUBUDBDRUEAAT-WEAUAQJVSA-N 0 0 638.596 6.306 1 10 KKCFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)[C@@H]1CCCN1C1=NC(=O)/C(=C\c2ccccc2Cl)S1 ZINC000206901279 562876581 /nfs/dbraw/zinc/87/65/81/562876581.db2.gz DOVIAIKROZHTOL-ZHIQAQTNSA-N 0 0 589.508 6.754 1 10 KKCFRN COc1cc(-c2c3c(c(=O)oc4cc(O)c(OC)cc34)n3ccc4c(cc(OC)c(O)c4C[NH+](C)C)c23)ccc1O ZINC000299823468 562882881 /nfs/dbraw/zinc/88/28/81/562882881.db2.gz GPLLXADEERIILA-UHFFFAOYSA-N 0 0 556.571 5.223 1 10 KKCFRN COc1ccc(-c2c(/C=C/C(=O)N3CCN(c4ccc(OC)cc4)CC3)noc2-c2cc(Cl)c([O-])cc2O)cc1 ZINC000299829715 562884953 /nfs/dbraw/zinc/88/49/53/562884953.db2.gz HWNXAJFCFCOXRG-VAWYXSNFSA-N 0 0 562.022 5.452 1 10 KKCFRN O=C(CN1C(=O)/C(=C/c2cccc(O)c2O)SC1=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000299835319 562886821 /nfs/dbraw/zinc/88/68/21/562886821.db2.gz DHOBLLZJXRUGFB-NDENLUEZSA-N 0 0 512.996 5.383 1 10 KKCFRN CC[C@@](C)(OCc1ccccc1)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O ZINC000473083124 562896764 /nfs/dbraw/zinc/89/67/64/562896764.db2.gz MOVGAHNBENNUQE-JGCGQSQUSA-N 0 0 510.586 6.506 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)cc1 ZINC000473112061 562898659 /nfs/dbraw/zinc/89/86/59/562898659.db2.gz CQROFPIONQPUHB-RRAHZORUSA-N 0 0 533.584 5.556 1 10 KKCFRN CC1=C(N=Nc2ccc(Cl)cc2)NC(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)=NN1 ZINC000473113780 562898805 /nfs/dbraw/zinc/89/88/05/562898805.db2.gz HLLNXWNOTOGVCS-KBXIRKQOSA-N 0 0 531.407 6.817 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134421 562900500 /nfs/dbraw/zinc/90/05/00/562900500.db2.gz CDLRVIRJWNRYQZ-AGIODIBFSA-N 0 0 570.114 7.624 1 10 KKCFRN O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000473153338 562901946 /nfs/dbraw/zinc/90/19/46/562901946.db2.gz ANLICNXTTKOSON-UHFFFAOYSA-N 0 0 574.524 6.479 1 10 KKCFRN COc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)c3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000653699240 562907217 /nfs/dbraw/zinc/90/72/17/562907217.db2.gz LAMFREHNMSBHJG-UHFFFAOYSA-N 0 0 539.651 6.372 1 10 KKCFRN O=C(/C=C/c1cc2c(c(O)c1)O[C@H](c1ccc(O)c(O)c1)[C@H]2C(=O)OCCc1ccccc1)OCCc1ccccc1 ZINC000653714268 562908391 /nfs/dbraw/zinc/90/83/91/562908391.db2.gz MKUCYYXMPADMOH-MNLABZRXSA-N 0 0 566.606 5.606 1 10 KKCFRN COc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)c3cccc(-c4ccccc4)c3)CC2)cc1 ZINC000653739258 562910056 /nfs/dbraw/zinc/91/00/56/562910056.db2.gz LNYCYMIPRLLCMB-UHFFFAOYSA-N 0 0 523.652 6.247 1 10 KKCFRN CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653835878 562914709 /nfs/dbraw/zinc/91/47/09/562914709.db2.gz UASDLASFPGUWQT-AKGWNBJDSA-N 0 0 624.569 5.745 1 10 KKCFRN CC(=O)[C@@]12CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1CC(C)(C)CC2 ZINC000095910610 565178060 /nfs/dbraw/zinc/17/80/60/565178060.db2.gz BKAUMVJUFNMYCS-VUVCLDHDSA-N 0 0 616.883 9.414 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCCC2)ccc1O ZINC000085625888 291968413 /nfs/dbraw/zinc/96/84/13/291968413.db2.gz ILVMYBNZRKLWJB-CLJLJLNGSA-N 0 0 548.676 5.834 1 10 biogenic,in-vitro KKCFRN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000001858131 561679595 /nfs/dbraw/zinc/67/95/95/561679595.db2.gz LIGIWABQBAKFAW-ANYBSYGZSA-N 0 0 518.617 5.092 1 10 KKCFRN CCOC(=O)N1CCc2c(sc(NCc3ccc(N(C)C)cc3)c2C(=O)Nc2ccc(OC)cc2)C1 ZINC000003017612 561681287 /nfs/dbraw/zinc/68/12/87/561681287.db2.gz HBTHZCWYIDPOJW-UHFFFAOYSA-N 0 0 508.644 5.202 1 10 KKCFRN CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000003930613 561687404 /nfs/dbraw/zinc/68/74/04/561687404.db2.gz OPFHZSVWSCMEPV-AYAMJOBCSA-N 0 0 684.792 5.602 1 10 KKCFRN COc1cccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)c1 ZINC000006004241 561701199 /nfs/dbraw/zinc/70/11/99/561701199.db2.gz JONJGODJNTYZTQ-XAHDOWKMSA-N 0 0 550.018 7.964 1 10 KKCFRN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579524 561696946 /nfs/dbraw/zinc/69/69/46/561696946.db2.gz USPHNCUDUYAUCJ-ODCWNRFASA-N 0 0 588.132 6.146 1 10 KKCFRN COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C)c2-c2ccccc2)cc1 ZINC000005809093 561698388 /nfs/dbraw/zinc/69/83/88/561698388.db2.gz QAPMHUQSAAKZOW-XAHDOWKMSA-N 0 0 529.600 7.619 1 10 KKCFRN COc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000005832981 561698929 /nfs/dbraw/zinc/69/89/29/561698929.db2.gz LLQYRHHJXMFUCP-JEIPZWNWSA-N 0 0 560.570 7.218 1 10 KKCFRN O=C(Nc1c2ccccc2nc2ccccc21)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605283 561721733 /nfs/dbraw/zinc/72/17/33/561721733.db2.gz IQNGVTIQQLDUKB-KXQOOQHDSA-N 0 0 513.622 6.933 1 10 KKCFRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc43)cc2)cc1 ZINC000026849096 561827008 /nfs/dbraw/zinc/82/70/08/561827008.db2.gz LRSGDRZHINJNLG-UHFFFAOYSA-N 0 0 515.507 5.749 1 10 KKCFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccnc3-n3c(C)ccc3C)c2Cl)cc1 ZINC000027405983 561855440 /nfs/dbraw/zinc/85/54/40/561855440.db2.gz CRVYTVKMJIWJCS-LFIBNONCSA-N 0 0 620.537 5.527 1 10 KKCFRN CC(=O)OC[C@@]1(C(=O)C(=O)C(=O)C(C)C)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027621494 561872579 /nfs/dbraw/zinc/87/25/79/561872579.db2.gz OIHRZSYTHLWLKA-AYBMVOPDSA-N 0 0 586.766 5.469 1 10 KKCFRN CCCn1nc(CC)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027988789 561892706 /nfs/dbraw/zinc/89/27/06/561892706.db2.gz SYNAZIGLVVDRMQ-JJQXXVEZSA-N 0 0 718.686 6.184 1 10 KKCFRN CC[C@H](C)n1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028010754 561896343 /nfs/dbraw/zinc/89/63/43/561896343.db2.gz PZNJQMTUJHPJAN-UADVTRIOSA-N 0 0 719.674 5.886 1 10 KKCFRN COc1ccc(-c2ccc(S(=O)(=O)N(CC(=O)N=NC3c4ccccc4NC3=O)c3ccc(C)cc3)cc2)cc1 ZINC000028529042 561933622 /nfs/dbraw/zinc/93/36/22/561933622.db2.gz SKBQLCRGDXNOHJ-ULIFNZDWSA-N 0 0 554.628 6.363 1 10 KKCFRN COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028569291 561938004 /nfs/dbraw/zinc/93/80/04/561938004.db2.gz KFVUUCJHSYFHQN-UHFFFAOYSA-N 0 0 642.630 6.363 1 10 KKCFRN COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000028569320 561938044 /nfs/dbraw/zinc/93/80/44/561938044.db2.gz SRPCVOBBEGAXCR-UHFFFAOYSA-N 0 0 562.574 6.682 1 10 KKCFRN CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)cc1O ZINC000028649238 561945550 /nfs/dbraw/zinc/94/55/50/561945550.db2.gz QHJVXQPKZAGEEA-UHFFFAOYSA-N 0 0 513.719 7.175 1 10 KKCFRN CCCCCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000028704606 561948809 /nfs/dbraw/zinc/94/88/09/561948809.db2.gz SGPBBWOTRFBBTE-UMSFTDKQSA-N 0 0 643.828 8.612 1 10 KKCFRN CCOC(=O)N1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(Nc4nc5cc(Cl)c(Cl)cc5[nH]4)n3)cc(-c3ccccc3)c2O)CC1 ZINC000028758565 561957218 /nfs/dbraw/zinc/95/72/18/561957218.db2.gz NUPLNAIXQYEFOJ-UHFFFAOYSA-N 0 0 701.537 7.812 1 10 KKCFRN CNC(=O)c1cccc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)c1 ZINC000028822645 561967420 /nfs/dbraw/zinc/96/74/20/561967420.db2.gz HVUSWBZZDOGLKZ-UHFFFAOYSA-N 0 0 511.366 6.432 1 10 KKCFRN O[C@H](CN(Cc1ccc(N2CCOCC2)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029392234 562017697 /nfs/dbraw/zinc/01/76/97/562017697.db2.gz LFEQRRUBHUAAAB-GDLZYMKVSA-N 0 0 538.566 6.505 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccccc3Br)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338923 562057719 /nfs/dbraw/zinc/05/77/19/562057719.db2.gz UQTLOZLAWRMFSV-UHFFFAOYSA-N 0 0 583.490 6.354 1 10 KKCFRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CSCc3c(F)cccc3Cl)N4)CC2)cc1 ZINC000038150032 562066272 /nfs/dbraw/zinc/06/62/72/562066272.db2.gz DKTFCQIDSBVMJZ-SANMLTNESA-N 0 0 555.075 5.116 3 10 KKCFRN CC(=O)Nc1ccc(OCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040913509 562083619 /nfs/dbraw/zinc/08/36/19/562083619.db2.gz LAWBPUSHCLQFNV-XMMPIXPASA-N 0 0 510.377 5.490 1 10 KKCFRN CC(=O)Nc1ccc(OCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040913507 562083674 /nfs/dbraw/zinc/08/36/74/562083674.db2.gz LAWBPUSHCLQFNV-DEOSSOPVSA-N 0 0 510.377 5.490 1 10 KKCFRN Cc1cc(NCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040934206 562084712 /nfs/dbraw/zinc/08/47/12/562084712.db2.gz BBHAKIOFIDQBQC-QHCPKHFHSA-N 0 0 500.813 6.527 1 10 KKCFRN Cc1cc(NCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)ccc1Cl ZINC000040934207 562084748 /nfs/dbraw/zinc/08/47/48/562084748.db2.gz BBHAKIOFIDQBQC-HSZRJFAPSA-N 0 0 500.813 6.527 1 10 KKCFRN CC(C)=CC(=O)Oc1c(O)c2c(cc1C(C)C)CC[C@@]1(C)[C@H]2CCC[C@]1(C)COC(=O)c1ccc(O)c(O)c1 ZINC000095914454 560055758 /nfs/dbraw/zinc/05/57/58/560055758.db2.gz ZPHWSQRWHVOTJP-IKZDWWSZSA-N 0 0 536.665 6.882 1 10 biogenic,in-vitro KKCFRN CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)/C=C\c6ccc(O)c(O)c6)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000095909976 560059286 /nfs/dbraw/zinc/05/92/86/560059286.db2.gz YOFAJHKDASWQBG-ZUNDOJCDSA-N 0 0 588.873 9.844 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@H](CCCO)CC(C)C)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596371 560063431 /nfs/dbraw/zinc/06/34/31/560063431.db2.gz LSOOAWZZFSKJDZ-CENQYVIBSA-N 0 0 592.753 6.194 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@@H]5CCC[C@H](C)C5)c4)C[C@@H]3O2)c1Cc1cc[nH]c1 ZINC000085596349 560063437 /nfs/dbraw/zinc/06/34/37/560063437.db2.gz NZYUIMHUTLJWFH-ZWFXTMJYSA-N 0 0 560.711 6.585 1 10 biogenic,in-vitro KKCFRN COc1c(O)c(O)cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O2)c1Cc1cc[nH]c1 ZINC000085596397 560063450 /nfs/dbraw/zinc/06/34/50/560063450.db2.gz JPEFDVVIKNFGCD-IWHLBADBSA-N 0 0 508.635 5.319 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)ccc1O ZINC000085626223 560069277 /nfs/dbraw/zinc/06/92/77/560069277.db2.gz JQUNNPNNIICSIP-YWEHKCAJSA-N 0 0 532.677 6.531 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)c(CO)cc1O ZINC000085626192 560069279 /nfs/dbraw/zinc/06/92/79/560069279.db2.gz KBZDKBXZFRAIKJ-YWEHKCAJSA-N 0 0 562.703 6.023 1 10 biogenic,in-vitro KKCFRN CC(C)c1ccc(NC(=O)Oc2ccc(N=Nc3ccc(S(N)(=O)=O)cc3)cc2OC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000043532398 562649375 /nfs/dbraw/zinc/64/93/75/562649375.db2.gz JKIJGZFGVWTESY-BSRQYYOTSA-N 0 0 615.712 8.218 1 10 KKCFRN COc1cccc(CCc2cc(OC)c(O)c3c2[C@H](Cc2cccc(OC)c2)c2cc(O)c(O)c(OC)c2O3)c1 ZINC000043544011 562649579 /nfs/dbraw/zinc/64/95/79/562649579.db2.gz DIJWWMHOMAEIJB-HSZRJFAPSA-N 0 0 544.600 6.103 1 10 KKCFRN O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cc(Br)cc(Br)c1O ZINC000045371184 562662242 /nfs/dbraw/zinc/66/22/42/562662242.db2.gz YSWRUZSGHZDWJW-UHFFFAOYSA-N 0 0 506.194 5.857 1 10 KKCFRN COc1cc2cccnc2c(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(F)cc2)c1 ZINC000045373111 562662302 /nfs/dbraw/zinc/66/23/02/562662302.db2.gz IRHDACAMQZWOKS-JOCHJYFZSA-N 0 0 514.645 6.372 1 10 KKCFRN Cc1cc(O)c(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(N4CCOCC4)cc3)C2)cc1Cl ZINC000049035682 562663560 /nfs/dbraw/zinc/66/35/60/562663560.db2.gz IFOWDVPPOCACJB-VWLOTQADSA-N 0 0 507.059 5.739 1 10 KKCFRN CN(Cc1c(Cl)cccc1Cl)c1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1 ZINC000049766945 562677299 /nfs/dbraw/zinc/67/72/99/562677299.db2.gz MNDGZMZFDZPECN-UHFFFAOYSA-N 0 0 529.374 5.815 1 10 KKCFRN C[C@@H]1C[C@@H](O)[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000049833027 562687380 /nfs/dbraw/zinc/68/73/80/562687380.db2.gz HVTRDYCUOUZNAP-XVVDDNTPSA-N 0 0 620.871 7.644 1 10 KKCFRN Cc1c(C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000049878477 562690626 /nfs/dbraw/zinc/69/06/26/562690626.db2.gz JJQRRTUBQHWNOZ-UHFFFAOYSA-N 0 0 582.358 7.135 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2cccs2)N(c2ccc(OC)cc2)[C@H]1c1cccs1 ZINC000058539438 562698885 /nfs/dbraw/zinc/69/88/85/562698885.db2.gz LSSFVZDTEHZUEN-YWEHKCAJSA-N 0 0 532.687 7.059 1 10 KKCFRN O=C(CCCc1ncc(C(F)(F)F)cc1-c1ccccc1)N1CCc2c(Cl)c(O)c([O-])c(Cl)c2C1 ZINC000058581493 562699830 /nfs/dbraw/zinc/69/98/30/562699830.db2.gz BSKSUGJWLVCLKM-UHFFFAOYSA-N 0 0 525.354 6.393 1 10 KKCFRN Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccccc2Cl)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000058583475 562700123 /nfs/dbraw/zinc/70/01/23/562700123.db2.gz OFXFPGLNPJEWSO-UHFFFAOYSA-N 0 0 711.254 10.643 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1Cc1ccc(F)cc1 ZINC000064512364 562706206 /nfs/dbraw/zinc/70/62/06/562706206.db2.gz GQOSTRRWDLGFHM-BKUYFWCQSA-N 0 0 533.319 6.536 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064527060 562706730 /nfs/dbraw/zinc/70/67/30/562706730.db2.gz BLPOEPDZMVJBHQ-JAIQZWGSSA-N 0 0 515.419 5.670 1 10 KKCFRN CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccc(OC)cc2O)c(=O)c2ccc(C)nc21 ZINC000064527578 562707031 /nfs/dbraw/zinc/70/70/31/562707031.db2.gz VBTUTKQAYHFRRL-DEOSSOPVSA-N 0 0 522.561 5.177 1 10 KKCFRN O=C(CCCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)NCc1ccc(Cl)c(Cl)c1 ZINC000070460161 562716372 /nfs/dbraw/zinc/71/63/72/562716372.db2.gz QJYBFPPSYZFEAR-ODLFYWEKSA-N 0 0 511.452 5.093 1 10 KKCFRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12 ZINC000072106593 562721099 /nfs/dbraw/zinc/72/10/99/562721099.db2.gz TUQOZTZNMOPCLE-NDENLUEZSA-N 0 0 508.792 7.096 1 10 KKCFRN C/C1=C\[C@H](C)C[C@H](C)OC(=O)/C=C(/c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc32)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129847 562726469 /nfs/dbraw/zinc/72/64/69/562726469.db2.gz QIXWTNQUYUZIHF-HOYRBNAJSA-N 0 0 723.665 5.317 1 10 in-vitro KKCFRN Cc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(-c2nn[nH]n2)c1 ZINC000073165294 562734386 /nfs/dbraw/zinc/73/43/86/562734386.db2.gz AMZKOFBVRYRJBH-NDENLUEZSA-N 0 0 537.468 5.443 1 10 KKCFRN Cc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(-c2nn[nH]n2)c1 ZINC000073169457 562734829 /nfs/dbraw/zinc/73/48/29/562734829.db2.gz SASCJSPBSPAWCK-JAIQZWGSSA-N 0 0 537.468 5.443 1 10 KKCFRN Cc1ccc(S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c2cc3c4c(c2)Oc2cccc5c2C4(C)c2c(cccc2O3)O5)cc1 ZINC000082174778 562741573 /nfs/dbraw/zinc/74/15/73/562741573.db2.gz HLYGEERGAYZBBH-UHFFFAOYSA-N 0 0 648.693 6.703 1 10 KKCFRN O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1cc(=O)c2cc(O)c([O-])cc2o1 ZINC000084633300 562745700 /nfs/dbraw/zinc/74/57/00/562745700.db2.gz VNWJCXLTKRADKP-UHFFFAOYSA-N 0 0 592.136 7.247 1 10 KKCFRN Cc1ccc(S(=O)(=O)NCCCCCCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000084687262 562748849 /nfs/dbraw/zinc/74/88/49/562748849.db2.gz DLHWIDBISXHZRB-UHFFFAOYSA-N 0 0 556.728 6.621 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084758889 562752784 /nfs/dbraw/zinc/75/27/84/562752784.db2.gz IJBBMBQGXYOQHJ-LJQANCHMSA-N 0 0 600.620 5.015 1 10 KKCFRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cc(C(=O)c4ccccc4)ccc3N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)C2=O)cc1 ZINC000095550431 562760196 /nfs/dbraw/zinc/76/01/96/562760196.db2.gz AOCFQRXMYDTEMK-MWVZVQPSSA-N 0 0 760.898 8.719 1 10 KKCFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)C(=C3C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000095552618 562760679 /nfs/dbraw/zinc/76/06/79/562760679.db2.gz MIDXOOYTVPKOQL-GWVAFBSZSA-N 0 0 609.505 7.404 1 10 KKCFRN COc1cc(C/C=C/c2ccccc2/C=C/C(=O)[O-])ccc1OCC[n+]1c(C)cc(/C=C/c2ccc(N(C)C)cc2)cc1C ZINC000095556843 562761844 /nfs/dbraw/zinc/76/18/44/562761844.db2.gz LALIJIZTMVFFLU-ZTMOFMHWSA-O 0 0 589.756 7.269 1 10 KKCFRN CN1c2ccccc2C(=O)N2CCc3c4cc(Br)ccc4n(C(=O)c4ccc(Cl)cc4)c3[C@H]12 ZINC000095557361 562762098 /nfs/dbraw/zinc/76/20/98/562762098.db2.gz ILRNOYURSACZNP-XMMPIXPASA-N 0 0 520.814 5.893 1 10 KKCFRN COc1ccc(C2=NN(C3=NC(=O)/C(=C4/c5ccccc5N(C)C4=O)S3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095557670 562762220 /nfs/dbraw/zinc/76/22/20/562762220.db2.gz ARILBVUTFSSNSG-QTSZRPRMSA-N 0 0 529.021 5.517 1 10 KKCFRN COc1ccc(-c2ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCc3ccc(O)c(O)c3)C(C)(C)C)cc2)cc1 ZINC000095564168 562764231 /nfs/dbraw/zinc/76/42/31/562764231.db2.gz QGMMFKZFRXRRCM-GDLZYMKVSA-N 0 0 532.681 5.989 1 10 KKCFRN COc1cc(/C=C2\SC(=S)N(CCCCNc3ccnc4cc(Cl)ccc43)C2=O)cc(OC)c1OC ZINC000095591482 562775678 /nfs/dbraw/zinc/77/56/78/562775678.db2.gz UEHKPDIVNLPDJM-UCQKPKSFSA-N 0 0 544.098 6.008 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3cc(Cl)sc3S(N)(=O)=O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000095595202 562776663 /nfs/dbraw/zinc/77/66/63/562776663.db2.gz ZURKKZUBCSLQKP-NRFANRHFSA-N 0 0 578.572 6.248 1 10 KKCFRN CCOC(=O)C1=CC[C@H](c2ccc(N(CC)CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095603060 562780339 /nfs/dbraw/zinc/78/03/39/562780339.db2.gz NRQRKHUSOKASMQ-LOYHVIPDSA-N 0 0 577.703 6.116 3 10 KKCFRN COc1ccc(NC2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)S2)c(OC)c1 ZINC000096905747 562798615 /nfs/dbraw/zinc/79/86/15/562798615.db2.gz GSULPYMAEGPMBE-OYKKKHCWSA-N 0 0 517.010 6.292 1 10 KKCFRN Clc1ccc([C@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096915624 562801004 /nfs/dbraw/zinc/80/10/04/562801004.db2.gz GFIVSDZCDRMGIG-NDEPHWFRSA-N 0 0 544.490 7.978 1 10 KKCFRN COc1cc([C@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096915649 562801029 /nfs/dbraw/zinc/80/10/29/562801029.db2.gz OXLYOFBTWFOJIT-MHZLTWQESA-N 0 0 574.085 6.601 1 10 KKCFRN CCc1ccc([C@@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096915665 562801035 /nfs/dbraw/zinc/80/10/35/562801035.db2.gz JWECCBPIROPOQY-HHHXNRCGSA-N 0 0 512.061 7.137 1 10 KKCFRN CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1)c1cccc2ccccc21 ZINC000096915667 562801081 /nfs/dbraw/zinc/80/10/81/562801081.db2.gz STTPMZPSHQXVCI-GDLZYMKVSA-N 0 0 534.067 7.728 1 10 KKCFRN O=C1c2ccccc2C(=O)c2cc(Cn3cc(-c4ccc(-c5cn(Cc6ccc7c(c6)C(=O)c6ccccc6C7=O)nn5)cc4)nn3)ccc21 ZINC000096917374 562801313 /nfs/dbraw/zinc/80/13/13/562801313.db2.gz QBEAWTCTJGZMTP-UHFFFAOYSA-N 0 0 652.670 5.851 1 10 KKCFRN Oc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940293 562804947 /nfs/dbraw/zinc/80/49/47/562804947.db2.gz RXYSXOXNYGZQOE-UHFFFAOYSA-N 0 0 564.714 8.860 1 10 KKCFRN CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000098083370 562805431 /nfs/dbraw/zinc/80/54/31/562805431.db2.gz XEUNDKINHBASMM-DHUJRADRSA-N 0 0 589.699 7.110 1 10 KKCFRN COc1ccc(-n2c(=O)c3c([nH]c2=S)NC(=O)N(N=Nc2ccc(Cl)cc2)[C@H]3c2ccccc2Cl)cc1 ZINC000101014186 562808694 /nfs/dbraw/zinc/80/86/94/562808694.db2.gz XLDOCUSQLINHID-WTRUXQSKSA-N 0 0 553.431 6.846 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000103187754 562815527 /nfs/dbraw/zinc/81/55/27/562815527.db2.gz YSGYQHDZBQLZOU-XMHVBLFMSA-N 0 0 567.852 6.832 1 10 KKCFRN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)N1c1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000103198470 562815965 /nfs/dbraw/zinc/81/59/65/562815965.db2.gz PCTORUNDGBFHRO-WGOQTCKBSA-N 0 0 537.402 7.601 1 10 KKCFRN CC1(C)CC[C@]2(C1)CC[C@]1(C)C(=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(=O)/C=C/c5ccc(O)c(O)c5)[C@@](C)(CO)[C@@H]4CC[C@]31C)[C@H]2O ZINC000103236190 562818893 /nfs/dbraw/zinc/81/88/93/562818893.db2.gz NLFLJRYMGRWUDD-ACCOSBQHSA-N 0 0 622.843 6.512 1 10 KKCFRN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574469 562845224 /nfs/dbraw/zinc/84/52/24/562845224.db2.gz OOJSOILQZFKZEI-DYKQPOOOSA-N 0 0 773.876 5.664 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582233 562845531 /nfs/dbraw/zinc/84/55/31/562845531.db2.gz JIXCEOPOYUFFSV-DWEWYUIOSA-N 0 0 640.675 5.912 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582301 562845553 /nfs/dbraw/zinc/84/55/53/562845553.db2.gz XHBXQCPNROVKPY-WOGQQFDQSA-N 0 0 675.576 7.374 1 10 KKCFRN COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1F ZINC000150603830 562847488 /nfs/dbraw/zinc/84/74/88/562847488.db2.gz MSQYLNJZSXKBIN-HPNDGRJYSA-N 0 0 668.726 5.078 1 10 KKCFRN COc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl ZINC000150604229 562847609 /nfs/dbraw/zinc/84/76/09/562847609.db2.gz XLHAOAUORLHVRO-DARPEHSRSA-N 0 0 749.196 5.441 1 10 KKCFRN COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3F)C2=O)cc1F ZINC000150604214 562847614 /nfs/dbraw/zinc/84/76/14/562847614.db2.gz RHUAFKWPDLSXRB-HIXSDJFHSA-N 0 0 690.679 5.048 1 10 KKCFRN COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F ZINC000150604972 562847686 /nfs/dbraw/zinc/84/76/86/562847686.db2.gz LDOCJJLHVVBHGQ-LKUDQCMESA-N 0 0 706.146 7.047 1 10 KKCFRN COc1ccc2c(c1)/C(=C\c1c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c3cc(C)c(OC)cc13)C(=O)N2 ZINC000169310839 562854993 /nfs/dbraw/zinc/85/49/93/562854993.db2.gz WYXVFXRQLRWTKI-LPYMAVHISA-N 0 0 549.023 6.187 1 10 KKCFRN COc1cc2c(/C=C3/C(=O)Nc4cc(C)c(OC)cc43)c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c2cc1C ZINC000169310841 562855016 /nfs/dbraw/zinc/85/50/16/562855016.db2.gz LRRJBTCJEGGEBJ-WSDLNYQXSA-N 0 0 563.050 6.496 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326983 562857936 /nfs/dbraw/zinc/85/79/36/562857936.db2.gz WJNWVMFWFDUGOS-HJWYETAXSA-N 0 0 555.495 5.155 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326969 562857942 /nfs/dbraw/zinc/85/79/42/562857942.db2.gz TURUXYRZXZQFMF-WVDZOPJMSA-N 0 0 571.950 5.669 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326988 562858005 /nfs/dbraw/zinc/85/80/05/562858005.db2.gz WJNWVMFWFDUGOS-OLRZCDJHSA-N 0 0 555.495 5.155 1 10 KKCFRN O=C1/C(=C/c2ccc(OCCOc3ccc(/C=C4\SC(=S)N(Cc5ccncc5)C4=O)cc3)cc2)SC(=S)N1Cc1ccncc1 ZINC000169327344 562858095 /nfs/dbraw/zinc/85/80/95/562858095.db2.gz MXSCSHRVLIQPIQ-NAZWXXJZSA-N 0 0 682.874 6.737 1 10 KKCFRN COC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000169369563 562864715 /nfs/dbraw/zinc/86/47/15/562864715.db2.gz IFXZTXQNDDDPLK-XLJNKUFUSA-N 0 0 589.519 8.243 1 10 KKCFRN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000204507311 562874556 /nfs/dbraw/zinc/87/45/56/562874556.db2.gz DSUBUDBDRUEAAT-CUDUBCGHSA-N 0 0 638.596 6.306 1 10 KKCFRN CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000204507296 562874567 /nfs/dbraw/zinc/87/45/67/562874567.db2.gz DSUBUDBDRUEAAT-WUDHVJAKSA-N 0 0 638.596 6.306 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000299823929 562883118 /nfs/dbraw/zinc/88/31/18/562883118.db2.gz BWTDHNPBRTZOAZ-YSBOMUIGSA-N 0 0 606.933 6.312 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 ZINC000299826927 562884016 /nfs/dbraw/zinc/88/40/16/562884016.db2.gz VAPOSDUSVFRAHF-MUBPVYAGSA-N 0 0 642.760 7.009 1 10 KKCFRN CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1cnc(Cl)cn1)c(F)cc2O ZINC000299827266 562884096 /nfs/dbraw/zinc/88/40/96/562884096.db2.gz VYUFMSAVMLCEQU-UHFFFAOYSA-N 0 0 587.961 7.614 1 10 KKCFRN CC[C@](C)(OCc1ccccc1)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O ZINC000473083133 562896769 /nfs/dbraw/zinc/89/67/69/562896769.db2.gz MOVGAHNBENNUQE-YTTGMZPUSA-N 0 0 510.586 6.506 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473083258 562896801 /nfs/dbraw/zinc/89/68/01/562896801.db2.gz BHKRAMRKNCFPEK-RWJNZEQESA-N 0 0 618.773 6.859 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473084198 562896866 /nfs/dbraw/zinc/89/68/66/562896866.db2.gz QXWJURHFGDANKD-HRXKUDGMSA-N 0 0 551.657 5.843 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473089652 562897422 /nfs/dbraw/zinc/89/74/22/562897422.db2.gz SJWQLZUVUCXLOS-VUMGZPTDSA-N 0 0 617.785 7.464 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473091487 562897686 /nfs/dbraw/zinc/89/76/86/562897686.db2.gz YVTYNDNIEXZRKN-HRXKUDGMSA-N 0 0 567.725 6.311 1 10 KKCFRN COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)N=C2c2ccccc2)c1 ZINC000473112898 562898756 /nfs/dbraw/zinc/89/87/56/562898756.db2.gz GOYVTJDORDNFQM-QRQIAZFYSA-N 0 0 538.003 6.201 1 10 KKCFRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)N=C2c2ccccc2)cc1 ZINC000473114364 562898911 /nfs/dbraw/zinc/89/89/11/562898911.db2.gz NCSHXALTUCLOHT-RRAHZORUSA-N 0 0 503.558 5.547 1 10 KKCFRN Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000473120544 562899357 /nfs/dbraw/zinc/89/93/57/562899357.db2.gz OFLSOUOGMBYUTH-QZSABBLZSA-N 0 0 543.996 8.020 1 10 KKCFRN O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1c2cc(Cl)ccn2nc1C1CC1 ZINC000473134839 562900540 /nfs/dbraw/zinc/90/05/40/562900540.db2.gz DAVYNUCPRFXLSG-UHFFFAOYSA-N 0 0 569.027 7.078 1 10 KKCFRN Cc1nn2ccc(C(C)C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473135112 562900616 /nfs/dbraw/zinc/90/06/16/562900616.db2.gz FROVXXBFQKVYKU-UHFFFAOYSA-N 0 0 550.625 6.979 1 10 KKCFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473135598 562900755 /nfs/dbraw/zinc/90/07/55/562900755.db2.gz JVLZPCCNSSEJQJ-AGIODIBFSA-N 0 0 614.565 7.733 1 10 KKCFRN COc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000653699277 562907221 /nfs/dbraw/zinc/90/72/21/562907221.db2.gz UTYMFOUMACYEBS-UHFFFAOYSA-N 0 0 516.444 5.887 1 10 KKCFRN FCCOCCOc1ccc(N2CC[NH+](CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1 ZINC000653779638 562912047 /nfs/dbraw/zinc/91/20/47/562912047.db2.gz GDKIFDBXPUIKCO-UHFFFAOYSA-N 0 0 533.663 6.279 1 10 KKCFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)C(=O)c2cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc2C3=O)c[nH]1)C(C)C ZINC000653812644 562913873 /nfs/dbraw/zinc/91/38/73/562913873.db2.gz LXXOGYVIDINGML-CUPIEXAXSA-N 0 0 792.894 5.330 1 10 KKCFRN O[C@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653848329 562915312 /nfs/dbraw/zinc/91/53/12/562915312.db2.gz VHAKMNQMXMWYCC-KRWDZBQOSA-N 0 0 626.330 7.178 1 10 KKCFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2/C=C2\SC(=S)N(c3ccc(OC(C)=O)cc3)C2=O)cc1 ZINC000653899377 562917493 /nfs/dbraw/zinc/91/74/93/562917493.db2.gz LCOKHWVYKRQRDE-ODMMIZOMSA-N 0 0 579.703 6.831 1 10 KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@@]2(c3ccnc(N)c3)CCC[C@@H]2Cc2ccc[nH]2)ccc1O ZINC000085625702 565159177 /nfs/dbraw/zinc/15/91/77/565159177.db2.gz QFJZZTIWUAHFJH-ONYCSUPSSA-N 0 0 628.746 5.004 1 10 biogenic,in-vitro KKCFRN COc1cc([C@@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(OC(=O)/C=C/c3ccc(O)c(O)c3)c(OC)c2)ccc1OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000085644003 565167109 /nfs/dbraw/zinc/16/71/09/565167109.db2.gz IZRFVIAFUYPYJK-HTNUFNSBSA-N 0 0 682.678 5.839 1 10 biogenic,in-vitro KKCFRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C\c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937232 571848168 /nfs/dbraw/zinc/84/81/68/571848168.db2.gz ZXDDRZYEBDQKAY-WVMHOSNJSA-N 0 0 562.835 9.310 1 10 endogenous,in-man KKCFRN CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@H](Cc1ccc(O)cc1)c1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592692 291927633 /nfs/dbraw/zinc/92/76/33/291927633.db2.gz PKLRLUPUGKLTEO-NZSBRXCESA-N 0 0 582.697 6.133 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O ZINC000085625891 291968412 /nfs/dbraw/zinc/96/84/12/291968412.db2.gz CRJDHVVCOHSLBY-JWQCQUIFSA-N 0 0 534.649 5.444 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O ZINC000085625896 291968417 /nfs/dbraw/zinc/96/84/17/291968417.db2.gz MHGVFLCPRDEOLW-JWQCQUIFSA-N 0 0 522.638 5.201 1 10 biogenic,in-vitro KKCFRN COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625756 291968998 /nfs/dbraw/zinc/96/89/98/291968998.db2.gz RZLSIIGHSFIYEW-CREXIDCTSA-N 0 0 760.928 9.145 1 10 biogenic,in-vitro KKCFRN COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCC2)c(CO)cc1O ZINC000085626200 291974545 /nfs/dbraw/zinc/97/45/45/291974545.db2.gz ZTDYWGPFEZHEPI-KCWPFWIISA-N 0 0 548.676 5.633 1 10 biogenic,in-vitro KKCFRN O=C(Cc1ccccc1)Oc1c2c3cc(O)c(O)cc3oc2c(OC(=O)c2ccc(O)cc2)c(-c2ccc(O)cc2)c1O ZINC000086047384 291992314 /nfs/dbraw/zinc/99/23/14/291992314.db2.gz IHUAUKNDLWICHA-UHFFFAOYSA-N 0 0 578.529 6.148 1 10 biogenic,in-vitro KKCFRN CS[C@@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862066 561679851 /nfs/dbraw/zinc/67/98/51/561679851.db2.gz LKPBYJVYDZDMCT-JYFHCDHNSA-N 0 0 558.485 5.778 1 10 KKCFRN CS[C@@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862069 561679864 /nfs/dbraw/zinc/67/98/64/561679864.db2.gz LKPBYJVYDZDMCT-ZEQKJWHPSA-N 0 0 558.485 5.778 1 10 KKCFRN Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934356 561681153 /nfs/dbraw/zinc/68/11/53/561681153.db2.gz UDFHQOOPLNZWLW-XXBNENTESA-N 0 0 530.216 5.620 1 10 KKCFRN Brc1cc(Br)c2c(-c3ccccc3)n(-c3ccccc3)nc(-c3ccccc3)c1-2 ZINC000003114713 561681468 /nfs/dbraw/zinc/68/14/68/561681468.db2.gz LHFQACFLQGVVOA-UHFFFAOYSA-N 0 0 504.225 7.836 1 10 KKCFRN O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)c1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000006004244 561701126 /nfs/dbraw/zinc/70/11/26/561701126.db2.gz DROBQIDBQOWYNQ-XAHDOWKMSA-N 0 0 554.437 8.608 1 10 KKCFRN O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1)c1ccccc1 ZINC000005545770 561696663 /nfs/dbraw/zinc/69/66/63/561696663.db2.gz YFWKBDJRGLXKSU-JLPGSUDCSA-N 0 0 514.497 5.175 1 10 KKCFRN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579521 561696923 /nfs/dbraw/zinc/69/69/23/561696923.db2.gz USPHNCUDUYAUCJ-SGANQWHYSA-N 0 0 588.132 6.146 1 10 KKCFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccccc3C(=O)c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000005580165 561697035 /nfs/dbraw/zinc/69/70/35/561697035.db2.gz VAVLEWZEWRTESR-YZCUKXFTSA-N 0 0 593.632 5.760 1 10 KKCFRN O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2Cl)c1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000005810900 561698523 /nfs/dbraw/zinc/69/85/23/561698523.db2.gz DCVHXMKMOTUFLH-XAHDOWKMSA-N 0 0 554.437 8.608 1 10 KKCFRN COc1ccc(OC)c2sc(N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)nc21 ZINC000006019438 561702044 /nfs/dbraw/zinc/70/20/44/561702044.db2.gz KGKGMCQOIQUSDE-AQTBWJFISA-N 0 0 531.590 5.174 1 10 KKCFRN CN(C)c1ccc(C=C2N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc1 ZINC000012947286 561711280 /nfs/dbraw/zinc/71/12/80/561711280.db2.gz IGJYSCJSFJXHQM-USHMODERSA-N 0 0 515.642 6.615 1 10 KKCFRN O=C(Nc1c2ccccc2nc2ccccc21)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605285 561721721 /nfs/dbraw/zinc/72/17/21/561721721.db2.gz IQNGVTIQQLDUKB-LHEWISCISA-N 0 0 513.622 6.933 1 10 KKCFRN CCOP(=O)(CCC[C@H](O)CNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1)OCC ZINC000017258672 561754477 /nfs/dbraw/zinc/75/44/77/561754477.db2.gz VMASUNXECJSGQE-HIUCBWPRSA-N 0 0 505.343 5.600 1 10 KKCFRN Cc1ccc(C)n1-c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(-n4c(C)ccc4C)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1 ZINC000026265966 561776340 /nfs/dbraw/zinc/77/63/40/561776340.db2.gz BKANMADPUXSPMK-QHQGJXSCSA-N 0 0 692.904 7.884 1 10 KKCFRN COc1cccc2c1nc1cc(I)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000026938666 561827952 /nfs/dbraw/zinc/82/79/52/561827952.db2.gz SBWIZOPRQARJBI-UHFFFAOYSA-N 0 0 549.390 5.125 1 10 KKCFRN [O-]c1cc(F)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000027872695 561888374 /nfs/dbraw/zinc/88/83/74/561888374.db2.gz ZPCXTAVPEOSBHT-UHFFFAOYSA-N 0 0 559.509 5.805 1 10 KKCFRN Cc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027990403 561892956 /nfs/dbraw/zinc/89/29/56/561892956.db2.gz NOMVMGRSBAVOBD-CYTLCNBWSA-N 0 0 662.578 5.046 1 10 KKCFRN Cc1nn(C(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 ZINC000027997701 561894006 /nfs/dbraw/zinc/89/40/06/561894006.db2.gz MMDGLLUIEYNIPM-CYEXUTLASA-N 0 0 705.647 5.496 1 10 KKCFRN CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027997410 561894008 /nfs/dbraw/zinc/89/40/08/561894008.db2.gz NWKHRBXPRGJHIL-NQVJXQQZSA-N 0 0 705.647 5.325 1 10 KKCFRN CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028002664 561894945 /nfs/dbraw/zinc/89/49/45/561894945.db2.gz XLHYRXMOCWVVCQ-KUFVUHJUSA-N 0 0 704.659 5.867 1 10 KKCFRN CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028007124 561895758 /nfs/dbraw/zinc/89/57/58/561895758.db2.gz AIGYDNZRUITCRV-CYEXUTLASA-N 0 0 705.647 5.262 1 10 KKCFRN CC(C)CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028008959 561896077 /nfs/dbraw/zinc/89/60/77/561896077.db2.gz AQEQOICEGIXCOS-KUFVUHJUSA-N 0 0 719.674 5.652 1 10 KKCFRN O=C1N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)C1(CCOCc1ccccc1)CCOCc1ccccc1 ZINC000028521051 561929227 /nfs/dbraw/zinc/92/92/27/561929227.db2.gz OKBSEDNINJGMAP-UHFFFAOYSA-N 0 0 589.519 7.488 1 10 KKCFRN COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000028653362 561946268 /nfs/dbraw/zinc/94/62/68/561946268.db2.gz JRJBWNVFQSKGFL-NRFANRHFSA-N 0 0 507.612 5.283 1 10 KKCFRN COc1ccc(C(=O)NC[C@H](Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000028704601 561948824 /nfs/dbraw/zinc/94/88/24/561948824.db2.gz BMWKENYOTPLPCI-UMSFTDKQSA-N 0 0 665.790 7.964 1 10 KKCFRN CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000028760169 561957807 /nfs/dbraw/zinc/95/78/07/561957807.db2.gz SCOQGLCJWQMXIH-CXNHSUMOSA-N 0 0 654.766 5.628 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(-c2ccccn2)c1 ZINC000028822663 561967464 /nfs/dbraw/zinc/96/74/64/561967464.db2.gz SAHKZPDIWGONST-UHFFFAOYSA-N 0 0 531.400 8.134 1 10 KKCFRN Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(-c2nnc(C)o2)c1 ZINC000028822667 561967627 /nfs/dbraw/zinc/96/76/27/561967627.db2.gz ABWSMEOXYWDCIZ-UHFFFAOYSA-N 0 0 536.376 7.431 1 10 KKCFRN CN(C)c1ccc([C@H]2SCC(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873812 561975020 /nfs/dbraw/zinc/97/50/20/561975020.db2.gz SGTXDZXRUWRQEC-MUUNZHRXSA-N 0 0 668.042 6.270 1 10 KKCFRN Cc1ccsc1C(=O)c1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000029125819 561998076 /nfs/dbraw/zinc/99/80/76/561998076.db2.gz DQDPWJIPZWYADW-UHFFFAOYSA-N 0 0 508.647 5.794 1 10 KKCFRN O[C@@H](CN(Cc1ccc(N2CCOCC2)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029392213 562017693 /nfs/dbraw/zinc/01/76/93/562017693.db2.gz LFEQRRUBHUAAAB-LJAQVGFWSA-N 0 0 538.566 6.505 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccccc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338908 562057532 /nfs/dbraw/zinc/05/75/32/562057532.db2.gz YMQKBCSEWCFTBU-UHFFFAOYSA-N 0 0 504.594 5.591 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338906 562057572 /nfs/dbraw/zinc/05/75/72/562057572.db2.gz LHKZHHCURPMTGS-UHFFFAOYSA-N 0 0 536.611 6.039 1 10 KKCFRN CCCn1c2ccc(NC(=O)Oc3ccc(F)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338904 562057625 /nfs/dbraw/zinc/05/76/25/562057625.db2.gz JBZOYVITNJEWFR-UHFFFAOYSA-N 0 0 523.568 5.697 1 10 KKCFRN CCCn1c2ccc(NC(=O)Nc3ccccc3Cl)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000036338916 562057664 /nfs/dbraw/zinc/05/76/64/562057664.db2.gz HVIOFSZYCVBTOP-UHFFFAOYSA-N 0 0 539.039 6.244 1 10 KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000040900012 562083410 /nfs/dbraw/zinc/08/34/10/562083410.db2.gz RUIXOIFHHOZIIO-VXXBUXGOSA-N 0 0 501.543 5.528 1 10 KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)CC[C@@H]2CCCCC)c(O)c(OC)c1)OC(C)=O ZINC000085627728 560068819 /nfs/dbraw/zinc/06/88/19/560068819.db2.gz HOBUONUUGJYHIE-KKUQBAQOSA-N 0 0 505.696 5.668 1 10 biogenic,in-vitro KKCFRN CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CCCC2=O)c(O)c2c1CC[C@@H]1CCC[C@@H]1O2)OC(C)=O ZINC000085627595 560068842 /nfs/dbraw/zinc/06/88/42/560068842.db2.gz GKMQRPRFCHPPHH-CIMCOABOSA-N 0 0 515.691 5.204 1 10 biogenic,in-vitro KKCFRN COc1cc([C@@H](Cc2cccc(Oc3c(O)cccc3CCc3ccc(O)cc3)c2)OC)cc(O)c1O ZINC000014636019 560223366 /nfs/dbraw/zinc/22/33/66/560223366.db2.gz ZEFQIOKOILPWNA-HHHXNRCGSA-N 0 0 502.563 6.025 1 10 biogenic,in-vitro KKCFRN CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418948 562657379 /nfs/dbraw/zinc/65/73/79/562657379.db2.gz YDKYBTAVXJESJH-ZHXGTJJLSA-N 0 0 535.442 6.383 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccc(N(C)C)cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(N(C)C)cc1 ZINC000049679569 562668913 /nfs/dbraw/zinc/66/89/13/562668913.db2.gz CRAJQFIWMVYGFE-LJEWAXOPSA-N 0 0 736.831 10.163 1 10 KKCFRN O=C(NCCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2)c1ccc(I)cc1 ZINC000049694976 562670025 /nfs/dbraw/zinc/67/00/25/562670025.db2.gz WHOFDSBXZMEHJV-IOKPGSKQSA-N 0 0 643.319 6.581 1 10 KKCFRN COc1ccc(N2CCN(c3nc(CS(C)(=O)=O)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000049746645 562674527 /nfs/dbraw/zinc/67/45/27/562674527.db2.gz USYBJPBHWUIFCE-UHFFFAOYSA-N 0 0 551.757 5.485 1 10 KKCFRN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000049768154 562677865 /nfs/dbraw/zinc/67/78/65/562677865.db2.gz MUYAKCSSXBQEFX-UHFFFAOYSA-N 0 0 575.098 5.813 1 10 KKCFRN CCCCc1nc(Cl)c([C@H]2CC(c3cc(C)ccc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049793533 562684915 /nfs/dbraw/zinc/68/49/15/562684915.db2.gz MBDFTWJODKJPOA-OAQYLSRUSA-N 0 0 526.493 7.552 1 10 KKCFRN CCCCc1nc(Cl)c([C@@H]2CC(c3cc(C)ccc3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049793532 562684920 /nfs/dbraw/zinc/68/49/20/562684920.db2.gz MBDFTWJODKJPOA-NRFANRHFSA-N 0 0 526.493 7.552 1 10 KKCFRN CCOC(=O)C1C(Nc2ccc(OC)cc2)=C[C@H](c2ccccc2)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000058538023 562698782 /nfs/dbraw/zinc/69/87/82/562698782.db2.gz JKNRDZFBYLLNGC-VTIYRKAUSA-N 0 0 534.656 7.326 1 10 KKCFRN COc1cc(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)ccc1O ZINC000058591912 562700553 /nfs/dbraw/zinc/70/05/53/562700553.db2.gz OICLZKKOZUJQMW-UHFFFAOYSA-N 0 0 722.834 9.704 1 10 KKCFRN COc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064527951 562707240 /nfs/dbraw/zinc/70/72/40/562707240.db2.gz UKOTWXCSZFGHDJ-PDGQHHTCSA-N 0 0 527.499 6.372 1 10 KKCFRN O=C1/C(=C\c2ccc(O)c(OCc3ccc(F)cc3)c2)C(C(F)(F)F)=NN1c1cccc(Br)c1 ZINC000064539115 562707501 /nfs/dbraw/zinc/70/75/01/562707501.db2.gz CKHBSCZOTWJUOF-GRSHGNNSSA-N 0 0 535.291 6.221 1 10 KKCFRN Nc1ccc(Cc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+](=O)[O-])cc2)cc1 ZINC000066074615 562709820 /nfs/dbraw/zinc/70/98/20/562709820.db2.gz XSRYUJNXUWEJQU-UHFFFAOYSA-N 0 0 527.404 5.287 1 10 KKCFRN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)NCC[NH+](C)C)cccc43)cc2)n1 ZINC000073241238 562736930 /nfs/dbraw/zinc/73/69/30/562736930.db2.gz ZCFBPOGNDPZKBT-UHFFFAOYSA-N 0 0 604.136 5.284 1 10 KKCFRN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4[nH+]c5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)n1 ZINC000082182194 562742160 /nfs/dbraw/zinc/74/21/60/562742160.db2.gz MAPBZANUHODCPE-UHFFFAOYSA-N 0 0 653.746 5.239 1 10 KKCFRN CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccccc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082186572 562742463 /nfs/dbraw/zinc/74/24/63/562742463.db2.gz WOJQJOZNPUAJTM-DQGPVFCWSA-N 0 0 660.705 5.736 1 10 KKCFRN Cc1cc(C)c(O)c2c1C[C@@H](c1ccc(Cl)cc1)[C@@H]2NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000084462360 562743130 /nfs/dbraw/zinc/74/31/30/562743130.db2.gz JCHBJPWKVVPENR-LSYYVWMOSA-N 0 0 524.492 5.635 1 10 KKCFRN CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)N=C(c2ccc(N(CC)CC)cc2)c2ccccc2C1=S ZINC000084603806 562744223 /nfs/dbraw/zinc/74/42/23/562744223.db2.gz LYFIKKPYMHRLMW-UHFFFAOYSA-N 0 0 580.624 7.288 1 10 KKCFRN CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652142 562746441 /nfs/dbraw/zinc/74/64/41/562746441.db2.gz WPPUUICWCBVSNR-HSZRJFAPSA-N 0 0 688.726 5.048 1 10 KKCFRN CS(=O)(=O)NCCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000084671957 562748738 /nfs/dbraw/zinc/74/87/38/562748738.db2.gz FDMBPVCQCHWBPS-UHFFFAOYSA-N 0 0 508.684 5.663 1 10 KKCFRN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000084710432 562750502 /nfs/dbraw/zinc/75/05/02/562750502.db2.gz UJSQLZDIEKLEOE-UHFFFAOYSA-N 0 0 570.755 7.092 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(Cl)cc2)SC1=C1C(=O)Nc2ccccc21 ZINC000095555486 562761533 /nfs/dbraw/zinc/76/15/33/562761533.db2.gz XMQIMPWKMUCJJJ-SAPGLNIQSA-N 0 0 535.028 7.287 1 10 KKCFRN CN1c2ccccc2C(=O)N2CCc3c4cc(Br)ccc4n(C(=O)c4ccc(Cl)cc4)c3[C@@H]12 ZINC000095557362 562762112 /nfs/dbraw/zinc/76/21/12/562762112.db2.gz ILRNOYURSACZNP-DEOSSOPVSA-N 0 0 520.814 5.893 1 10 KKCFRN O=C1N=C(NCCCCCCCCCNC2=NC(=O)C(=Cc3ccc(O)cc3)S2)SC1=Cc1ccc(O)cc1 ZINC000095558220 562762387 /nfs/dbraw/zinc/76/23/87/562762387.db2.gz SHKHVQCWHGJJQW-GJEUYDLNSA-N 0 0 564.733 5.649 1 10 KKCFRN CCCCc1nc(Cl)c(-c2cc(-c3cccs3)nc3c2C(=O)c2ccccc2-3)n1Cc1ccccc1 ZINC000095561026 562763237 /nfs/dbraw/zinc/76/32/37/562763237.db2.gz ZGPMERYUYADUSA-UHFFFAOYSA-N 0 0 510.062 7.929 1 10 KKCFRN COc1ccc(/C=C2\SC(=S)N(CCCNc3ccnc4cc(Cl)ccc43)C2=O)c2ccccc12 ZINC000095589178 562774911 /nfs/dbraw/zinc/77/49/11/562774911.db2.gz NMYABONWEJFWOZ-MYYYXRDXSA-N 0 0 520.079 6.753 1 10 KKCFRN CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)ccc21 ZINC000095612679 562785749 /nfs/dbraw/zinc/78/57/49/562785749.db2.gz MLWOLYKKTKCDPP-UHFFFAOYSA-N 0 0 839.993 5.894 1 10 KKCFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613592 562786405 /nfs/dbraw/zinc/78/64/05/562786405.db2.gz YWAAYMYTJPPBMD-NGZFDZNKSA-N 0 0 768.991 8.052 1 10 KKCFRN CCc1ccc([C@H](Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096915663 562801077 /nfs/dbraw/zinc/80/10/77/562801077.db2.gz JWECCBPIROPOQY-MHZLTWQESA-N 0 0 512.061 7.137 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2[C@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101009551 562808665 /nfs/dbraw/zinc/80/86/65/562808665.db2.gz DGNKVLJVOGUZBM-ZLBRTXFESA-N 0 0 568.402 6.746 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3cccc([N+](=O)[O-])c3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101014577 562808679 /nfs/dbraw/zinc/80/86/79/562808679.db2.gz PUBPUVCQKGXRGB-BKWYIPCTSA-N 0 0 568.402 6.746 1 10 KKCFRN O=C1Nc2[nH]c(=S)n(-c3ccc(Cl)cc3)c(=O)c2[C@@H](c2ccccc2Cl)N1N=Nc1ccc(Cl)cc1 ZINC000101486713 562810964 /nfs/dbraw/zinc/81/09/64/562810964.db2.gz UCGPUEQZVIIKTK-NTRCVGOGSA-N 0 0 557.850 7.491 1 10 KKCFRN Cc1ccc(-n2nc(C(C)(C)C)cc2C(C=O)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 ZINC000101667456 562811643 /nfs/dbraw/zinc/81/16/43/562811643.db2.gz BCTOQGZHYYWMHT-QYQHSDTDSA-N 0 0 554.691 5.880 1 10 KKCFRN O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000102963926 562813728 /nfs/dbraw/zinc/81/37/28/562813728.db2.gz WEJWNZITXCLTGL-IZLXSDGUSA-N 0 0 560.565 5.428 1 10 KKCFRN COc1ccc(-c2[s+]c(=S)[n-]n2C(=O)c2ccc(-n3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000103204139 562816294 /nfs/dbraw/zinc/81/62/94/562816294.db2.gz BIMNUYOIWGCYJY-UHFFFAOYSA-O 0 0 594.654 5.358 1 10 KKCFRN O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@H]1c1ccccc1O ZINC000103209209 562816630 /nfs/dbraw/zinc/81/66/30/562816630.db2.gz ZCKUGRZYXKXVOU-MHZLTWQESA-N 0 0 553.578 6.273 1 10 KKCFRN COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc(Cl)c(Cl)c2)cc1 ZINC000103221338 562817470 /nfs/dbraw/zinc/81/74/70/562817470.db2.gz SYSZMINDUYUIES-ULIFNZDWSA-N 0 0 553.877 8.489 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Br)c1 ZINC000103236066 562818789 /nfs/dbraw/zinc/81/87/89/562818789.db2.gz ULBQQRQQOTUHNQ-AREMUKBSSA-N 0 0 588.347 5.330 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(Br)cc1 ZINC000103236055 562818834 /nfs/dbraw/zinc/81/88/34/562818834.db2.gz ODPNGIXKTWKIRQ-AREMUKBSSA-N 0 0 588.347 5.330 1 10 KKCFRN Nc1ccc(C[C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000118430370 562830297 /nfs/dbraw/zinc/83/02/97/562830297.db2.gz LNGOACYVBRPKCR-MHZLTWQESA-N 0 0 502.507 6.415 1 10 KKCFRN Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)cc(I)c3[O-])NC1=O)O2 ZINC000150582737 562845578 /nfs/dbraw/zinc/84/55/78/562845578.db2.gz SCOYRPVAVNZADG-SDZGCHGRSA-N 0 0 801.472 7.979 1 10 KKCFRN CN(C)c1ccc([C@H]2CC(Nn3c(Cc4ccccc4Nc4ccccc4)nc4ccc(I)cc4c3=O)=NN2)cc1 ZINC000150590719 562846163 /nfs/dbraw/zinc/84/61/63/562846163.db2.gz GUHKRWOOCRQGHB-GDLZYMKVSA-N 0 0 655.544 5.993 1 10 KKCFRN Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592846 562846353 /nfs/dbraw/zinc/84/63/53/562846353.db2.gz IRWPDUIIPLGLGQ-AHKMRMTMSA-N 0 0 684.891 8.374 1 10 KKCFRN CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169325656 562857652 /nfs/dbraw/zinc/85/76/52/562857652.db2.gz CYCDARWXZPYIBX-UHFFFAOYSA-N 0 0 557.016 6.763 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327026 562857984 /nfs/dbraw/zinc/85/79/84/562857984.db2.gz LSQRPXQGVJTODR-ADKRDUOOSA-N 0 0 567.531 5.025 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327065 562858045 /nfs/dbraw/zinc/85/80/45/562858045.db2.gz PUZAGNJBSXUXEW-LDLUVENISA-N 0 0 551.532 5.324 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc21 ZINC000169327052 562858056 /nfs/dbraw/zinc/85/80/56/562858056.db2.gz IFYHDNAFNWCGPV-GTJUCTONSA-N 0 0 587.565 6.169 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169330532 562858738 /nfs/dbraw/zinc/85/87/38/562858738.db2.gz ABZVKOURCAHCGJ-HHHXNRCGSA-N 0 0 602.374 5.390 1 10 KKCFRN CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331336 562858940 /nfs/dbraw/zinc/85/89/40/562858940.db2.gz ULKSZVFXGSMZGC-WVDZOPJMSA-N 0 0 616.401 5.779 1 10 KKCFRN CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331334 562858942 /nfs/dbraw/zinc/85/89/42/562858942.db2.gz IOTIFNDRCHVNBK-OLRZCDJHSA-N 0 0 616.401 5.779 1 10 KKCFRN Cc1cc(OCc2cccc(Cl)c2)c2c(c1)C(=O)c1cccc(OCc3cccc(Cl)c3)c1C2=O ZINC000169343713 562861210 /nfs/dbraw/zinc/86/12/10/562861210.db2.gz AQWZMHUMONPPFD-UHFFFAOYSA-N 0 0 503.381 7.235 1 10 KKCFRN COc1cc([C@@H](Nc2nc3c(cccc3Cl)s2)c2c(O)ccc3ccccc32)cc(OC)c1OC ZINC000169352038 562863035 /nfs/dbraw/zinc/86/30/35/562863035.db2.gz ZYSZVKSFJNBQNT-XMMPIXPASA-N 0 0 507.011 7.036 1 10 KKCFRN COc1ccc(/C=C2/SC(N3CCC[C@H]3C(=O)Nc3ccc4ncnc(Nc5cccc(Cl)c5)c4c3)=NC2=O)cc1 ZINC000206914510 562876576 /nfs/dbraw/zinc/87/65/76/562876576.db2.gz QUOXDJAMDRVEPI-MDQJKVKYSA-N 0 0 585.089 6.109 1 10 KKCFRN O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccccc21 ZINC000299825748 562883659 /nfs/dbraw/zinc/88/36/59/562883659.db2.gz NVFMVTZOJMKDGF-MUBPVYAGSA-N 0 0 519.413 6.137 1 10 KKCFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000299830223 562885147 /nfs/dbraw/zinc/88/51/47/562885147.db2.gz LTMOKDPZNYVNLE-CZSIZBGPSA-N 0 0 525.655 6.494 1 10 KKCFRN CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)SC2=S)c1 ZINC000299832745 562885893 /nfs/dbraw/zinc/88/58/93/562885893.db2.gz QZNFTUMNGCXYOA-DNMSLHDBSA-N 0 0 584.122 7.476 1 10 KKCFRN CCc1nn2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473133994 562900430 /nfs/dbraw/zinc/90/04/30/562900430.db2.gz AKBXPTKBRLBEQM-UHFFFAOYSA-N 0 0 557.016 6.763 1 10 KKCFRN Cc1nn2ccc(C(C)(C)C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136023 562900914 /nfs/dbraw/zinc/90/09/14/562900914.db2.gz MWQCLWIIWNTUTQ-UHFFFAOYSA-N 0 0 564.652 7.153 1 10 KKCFRN Cc1nn2cccc(C)c2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473137314 562901161 /nfs/dbraw/zinc/90/11/61/562901161.db2.gz XXIAWHUZGIGKRM-UHFFFAOYSA-N 0 0 522.571 6.164 1 10 KKCFRN [N-]=[N+]=NC[C@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1C(=O)Nc1cn(C(N)=O)c2ccccc12 ZINC000473171435 562903219 /nfs/dbraw/zinc/90/32/19/562903219.db2.gz XBPBVPDKSNWCBI-KUHUBIRLSA-N 0 0 530.467 5.195 1 10 KKCFRN Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473247549 562904995 /nfs/dbraw/zinc/90/49/95/562904995.db2.gz FSHJFYCFTTUATA-ALUKBCMLSA-N 0 0 601.721 6.126 1 10 KKCFRN COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OC(=O)c4cc(O)c(O)c(O)c4)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653803780 562913546 /nfs/dbraw/zinc/91/35/46/562913546.db2.gz YIBPTDKKCLTAEI-IILBSQKWSA-N 0 0 690.701 6.545 1 10 KKCFRN CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)SC2=S)cc1 ZINC000653856988 562915791 /nfs/dbraw/zinc/91/57/91/562915791.db2.gz FROJHKHXJZYFHX-NAZSJVEXSA-N 0 0 515.616 5.375 1 10 KKCFRN