smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)C(=O)O[C@@H]1C2 ZINC000059415261 195399382 /nfs/dbraw/zinc/39/93/82/195399382.db2.gz BHHPFKIBWAGHLZ-MOWNWVOXSA-N 0 3 479.448 4.642 50 30 biogenic JJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccccc3)cc2)c1 ZINC000102711619 130258075 /nfs/dbraw/zinc/25/80/75/130258075.db2.gz VDLVGVXWSVXOTO-UUALVTFQSA-N 0 3 484.596 4.947 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccco3)cc2)c1 ZINC000102714797 130261206 /nfs/dbraw/zinc/26/12/06/130261206.db2.gz QWLQAUCUIKAPLB-NPJIAGGLSA-N 0 3 474.557 4.540 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102715489 130261577 /nfs/dbraw/zinc/26/15/77/130261577.db2.gz FDMVKZRIJKTVHE-CZNAVJSXSA-N 0 3 488.559 4.696 50 30 JJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1C ZINC000102873667 130345515 /nfs/dbraw/zinc/34/55/15/130345515.db2.gz SFVRXDIGFWNFDP-IUKMQXEJSA-N 0 3 464.606 4.937 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1C ZINC000102873667 130345517 /nfs/dbraw/zinc/34/55/17/130345517.db2.gz SFVRXDIGFWNFDP-IUKMQXEJSA-N 0 3 464.606 4.937 50 30 JJEAHN C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C(C)C ZINC000036309461 518712776 /nfs/dbraw/zinc/71/27/76/518712776.db2.gz VPARBBWJDMNOEN-ZJSXRUAMSA-N 0 3 456.652 4.599 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305972 518986169 /nfs/dbraw/zinc/98/61/69/518986169.db2.gz HOASLPBKWYPBFU-QHCPKHFHSA-N 0 3 479.621 4.910 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305301 518993215 /nfs/dbraw/zinc/99/32/15/518993215.db2.gz SRFJYISKCDXCBH-HSZRJFAPSA-N 0 3 479.621 4.910 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305711 518994425 /nfs/dbraw/zinc/99/44/25/518994425.db2.gz GZDZLJSNCNKVFO-HSZRJFAPSA-N 0 3 479.621 4.910 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306787 518994640 /nfs/dbraw/zinc/99/46/40/518994640.db2.gz WZAXNWUDWWHSCD-OAQYLSRUSA-N 0 3 453.558 4.792 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000009089448 519778575 /nfs/dbraw/zinc/77/85/75/519778575.db2.gz XXKPOICUAPDULM-JOCHJYFZSA-N 0 3 474.960 4.796 50 30 JJEAHN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009235175 519781600 /nfs/dbraw/zinc/78/16/00/519781600.db2.gz BQCNDKIQNHQEDO-HOGKFDNTSA-N 0 3 456.970 4.501 50 30 JJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009329056 520258800 /nfs/dbraw/zinc/25/88/00/520258800.db2.gz HYNKXEUWXFFNCU-KXCNXCNDSA-N 0 3 492.616 4.562 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000020358364 520659487 /nfs/dbraw/zinc/65/94/87/520659487.db2.gz VKZYKQZFVNZMHU-XMMPIXPASA-N 0 3 468.569 4.781 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000020358364 520659494 /nfs/dbraw/zinc/65/94/94/520659494.db2.gz VKZYKQZFVNZMHU-XMMPIXPASA-N 0 3 468.569 4.781 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1Cl ZINC000016733438 520875334 /nfs/dbraw/zinc/87/53/34/520875334.db2.gz XGDDIRMUURUQFD-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1Cl ZINC000016733438 520875342 /nfs/dbraw/zinc/87/53/42/520875342.db2.gz XGDDIRMUURUQFD-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020392073 521266550 /nfs/dbraw/zinc/26/65/50/521266550.db2.gz UDOGSZQMMZUNER-VWLOTQADSA-N 0 3 480.605 4.650 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCN(CC)CC ZINC000020392513 521590176 /nfs/dbraw/zinc/59/01/76/521590176.db2.gz YCMHRXHWSUMMMF-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)C(C#N)c4nc(C)cs4)n3C)cc2C1 ZINC000009515963 523374194 /nfs/dbraw/zinc/37/41/94/523374194.db2.gz UBKBHERMBFXTLB-UKRRQHHQSA-N 0 3 457.650 4.792 50 30 JJEAHN Cc1ccc(-c2csc(NC(=O)CSc3nc4c(cc3C#N)CN(C(C)C)CC4)n2)cc1 ZINC000033317823 525782224 /nfs/dbraw/zinc/78/22/24/525782224.db2.gz RGNYKIDKRLSKGS-UHFFFAOYSA-N 0 3 463.632 4.883 50 30 JJEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009045522 526688865 /nfs/dbraw/zinc/68/88/65/526688865.db2.gz MFBQSNSKERQMBQ-QGZVFWFLSA-N 0 3 468.406 4.597 50 30 JJEAHN O[C@@H](CNCc1ccc(C(F)(F)F)cc1)CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1 ZINC000012369015 527653030 /nfs/dbraw/zinc/65/30/30/527653030.db2.gz IXHFDNGUDSKYEQ-WCORBCGLSA-N 0 3 475.294 4.854 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102486694 536562181 /nfs/dbraw/zinc/56/21/81/536562181.db2.gz XGTPSGYPRYRSNM-SBXHHDGASA-N 0 3 464.606 4.675 50 30 JJEAHN C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890326 554408704 /nfs/dbraw/zinc/40/87/04/554408704.db2.gz IQGCFSPMPDZBBZ-QFIPXVFZSA-N 0 3 452.938 4.508 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000008741014 554643216 /nfs/dbraw/zinc/64/32/16/554643216.db2.gz DWNCDXREAGQZEF-NXLSWJSLSA-N 0 3 468.569 4.685 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000008741014 554643217 /nfs/dbraw/zinc/64/32/17/554643217.db2.gz DWNCDXREAGQZEF-NXLSWJSLSA-N 0 3 468.569 4.685 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Br)cc1 ZINC000008818042 554701507 /nfs/dbraw/zinc/70/15/07/554701507.db2.gz GQKALSGMBJTUDY-MRJHHRETSA-N 0 3 483.362 4.569 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000008837999 554739402 /nfs/dbraw/zinc/73/94/02/554739402.db2.gz WHXNDRSNVBAHCA-NRFANRHFSA-N 0 3 477.388 4.922 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009007824 554861212 /nfs/dbraw/zinc/86/12/12/554861212.db2.gz WZYRZRDNGLJOCN-AREMUKBSSA-N 0 3 492.616 4.960 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009007824 554861216 /nfs/dbraw/zinc/86/12/16/554861216.db2.gz WZYRZRDNGLJOCN-AREMUKBSSA-N 0 3 492.616 4.960 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000013550087 555491219 /nfs/dbraw/zinc/49/12/19/555491219.db2.gz LCCAUFHIQPOYDP-VWLOTQADSA-N 0 3 480.605 4.711 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000013551071 555491788 /nfs/dbraw/zinc/49/17/88/555491788.db2.gz ITCBHZWPJUPXJP-DEOSSOPVSA-N 0 3 468.569 4.841 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000013551071 555491790 /nfs/dbraw/zinc/49/17/90/555491790.db2.gz ITCBHZWPJUPXJP-DEOSSOPVSA-N 0 3 468.569 4.841 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019898530 555534162 /nfs/dbraw/zinc/53/41/62/555534162.db2.gz BSXWMQOTCKRXBL-HXUWFJFHSA-N 0 3 463.361 4.532 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000013618187 555537275 /nfs/dbraw/zinc/53/72/75/555537275.db2.gz XAHLRMJHSDZGIQ-SANMLTNESA-N 0 3 486.568 4.936 50 30 JJEAHN COc1ccc(-c2csc(C3=C(N)N(CCC4CCN(Cc5ccccc5)CC4)CC3=O)n2)cc1 ZINC000013655346 555554963 /nfs/dbraw/zinc/55/49/63/555554963.db2.gz OVSIASQOKIVCSZ-UHFFFAOYSA-N 0 3 488.657 4.633 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000020057971 555621531 /nfs/dbraw/zinc/62/15/31/555621531.db2.gz RVGGCPJPYUTYLX-VWLOTQADSA-N 0 3 464.606 4.950 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000020057971 555621533 /nfs/dbraw/zinc/62/15/33/555621533.db2.gz RVGGCPJPYUTYLX-VWLOTQADSA-N 0 3 464.606 4.950 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccccc1 ZINC000020064427 555624507 /nfs/dbraw/zinc/62/45/07/555624507.db2.gz CGXTUYPLOJOLAW-VWLOTQADSA-N 0 3 464.606 4.950 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000020065543 555625277 /nfs/dbraw/zinc/62/52/77/555625277.db2.gz KGUZXJDCWVDYTN-VWLOTQADSA-N 0 3 480.605 4.656 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000020082717 555630928 /nfs/dbraw/zinc/63/09/28/555630928.db2.gz NBTYPDUUOALMCK-VWLOTQADSA-N 0 3 480.605 4.656 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000020082717 555630930 /nfs/dbraw/zinc/63/09/30/555630930.db2.gz NBTYPDUUOALMCK-VWLOTQADSA-N 0 3 480.605 4.656 50 30 JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020100430 555633520 /nfs/dbraw/zinc/63/35/20/555633520.db2.gz DJNVOLHBJXCJKT-RUZDIDTESA-N 0 3 464.606 4.868 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020171307 555680831 /nfs/dbraw/zinc/68/08/31/555680831.db2.gz HRXIFUWXLRQFHV-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020171307 555680834 /nfs/dbraw/zinc/68/08/34/555680834.db2.gz HRXIFUWXLRQFHV-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020219452 555714364 /nfs/dbraw/zinc/71/43/64/555714364.db2.gz NNQYNWYJVCRKMT-AREMUKBSSA-N 0 3 490.600 4.736 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020219452 555714368 /nfs/dbraw/zinc/71/43/68/555714368.db2.gz NNQYNWYJVCRKMT-AREMUKBSSA-N 0 3 490.600 4.736 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020231600 555721717 /nfs/dbraw/zinc/72/17/17/555721717.db2.gz IKNCTXBKVKYRCK-VWLOTQADSA-N 0 3 480.605 4.794 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020231600 555721719 /nfs/dbraw/zinc/72/17/19/555721719.db2.gz IKNCTXBKVKYRCK-VWLOTQADSA-N 0 3 480.605 4.794 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020234314 555725879 /nfs/dbraw/zinc/72/58/79/555725879.db2.gz RWCLKBGDAJCKQD-HSZRJFAPSA-N 0 3 486.996 4.667 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020234314 555725881 /nfs/dbraw/zinc/72/58/81/555725881.db2.gz RWCLKBGDAJCKQD-HSZRJFAPSA-N 0 3 486.996 4.667 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020264735 555746895 /nfs/dbraw/zinc/74/68/95/555746895.db2.gz QPHIAAKVDIMGTB-HSZRJFAPSA-N 0 3 486.996 4.667 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1C ZINC000024080878 556119453 /nfs/dbraw/zinc/11/94/53/556119453.db2.gz NLKNFDQNSHWMEQ-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1C ZINC000024080878 556119454 /nfs/dbraw/zinc/11/94/54/556119454.db2.gz NLKNFDQNSHWMEQ-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000024081114 556119810 /nfs/dbraw/zinc/11/98/10/556119810.db2.gz OERRPRTWSBMZGN-XMMPIXPASA-N 0 3 466.553 4.619 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000024081114 556119813 /nfs/dbraw/zinc/11/98/13/556119813.db2.gz OERRPRTWSBMZGN-XMMPIXPASA-N 0 3 466.553 4.619 50 30 JJEAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000018008608 556275753 /nfs/dbraw/zinc/27/57/53/556275753.db2.gz RGHRGTBKBUTSJT-VXNXHJTFSA-N 0 3 469.566 4.858 50 30 JJEAHN C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000032622860 556452768 /nfs/dbraw/zinc/45/27/68/556452768.db2.gz SQXLMDKOFLIBHB-XMMPIXPASA-N 0 3 496.991 4.907 50 30 JJEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000032777103 556492266 /nfs/dbraw/zinc/49/22/66/556492266.db2.gz AEXMAQHHFSCIFW-OAQYLSRUSA-N 0 3 469.699 4.661 50 30 JJEAHN CCCCN(C)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000008430692 562939235 /nfs/dbraw/zinc/93/92/35/562939235.db2.gz XKWCTPCDMGHMSE-SDNYCIMKSA-N 0 3 450.579 4.647 50 30 JJEAHN C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000061997598 569609824 /nfs/dbraw/zinc/60/98/24/569609824.db2.gz BHHPFKIBWAGHLZ-IGIVCPIASA-N 0 3 479.448 4.642 50 30 biogenic JJEAHN N#Cc1ccc2c(c1)ncc(S(=O)(=O)c1ccc(F)cc1)c2N1CCC(N2CCCCC2)CC1 ZINC000071775257 569698088 /nfs/dbraw/zinc/69/80/88/569698088.db2.gz PGTTYAWPGKEHQD-UHFFFAOYSA-N 0 3 478.593 4.533 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342035 569765386 /nfs/dbraw/zinc/76/53/86/569765386.db2.gz ZOHXKVKRJZBEGS-XMMPIXPASA-N 0 3 465.569 4.581 50 30 JJEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102859423 569824719 /nfs/dbraw/zinc/82/47/19/569824719.db2.gz PVBDVYLRCKASQR-CJJGVWJISA-N 0 3 478.633 4.966 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102930493 569828053 /nfs/dbraw/zinc/82/80/53/569828053.db2.gz GTWMKWGQRAZKMY-SBXHHDGASA-N 0 3 462.546 4.595 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000102932993 569829094 /nfs/dbraw/zinc/82/90/94/569829094.db2.gz RCLCUIVTGAYIIP-IUKMQXEJSA-N 0 3 464.606 4.856 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000103129389 569833115 /nfs/dbraw/zinc/83/31/15/569833115.db2.gz KYROCWMFENZHBU-NPJIAGGLSA-N 0 3 464.606 4.856 50 30 JJEAHN C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000105003821 569849480 /nfs/dbraw/zinc/84/94/80/569849480.db2.gz FFLUEWPFTMCFEA-ZJSXRUAMSA-N 0 3 456.652 4.600 50 30 JJEAHN C=C[C@](C)(O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000105005097 569849845 /nfs/dbraw/zinc/84/98/45/569849845.db2.gz PBEBVHTWVVKQFJ-HOFKKMOUSA-N 0 3 468.663 4.519 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000105012829 569851236 /nfs/dbraw/zinc/85/12/36/569851236.db2.gz YCCMLHVSHHGWLB-RCZVLFRGSA-N 0 3 461.606 4.893 50 30 JJEAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226873245 570039106 /nfs/dbraw/zinc/03/91/06/570039106.db2.gz CZXINPNTHRBICH-OYUWMTPXSA-N 0 3 497.551 4.797 50 30 JJEAHN C=C[C@](C)(O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000230112195 570045017 /nfs/dbraw/zinc/04/50/17/570045017.db2.gz VIZBSGBYERJYNW-SQHAQQRYSA-N 0 3 470.679 4.846 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@@H]3C1=O)CCCC2 ZINC000238923650 570047918 /nfs/dbraw/zinc/04/79/18/570047918.db2.gz PEKOAXRGSBGSSR-PWRODBHTSA-N 0 3 479.945 4.796 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000238950429 570048219 /nfs/dbraw/zinc/04/82/19/570048219.db2.gz XZNBMIFJAYRVKG-DNVJHFABSA-N 0 3 455.539 4.550 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009046400 124014275 /nfs/dbraw/zinc/01/42/75/124014275.db2.gz LDUOCSMIRFMXJJ-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009046400 124014279 /nfs/dbraw/zinc/01/42/79/124014279.db2.gz LDUOCSMIRFMXJJ-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccco1 ZINC000102698138 130244504 /nfs/dbraw/zinc/24/45/04/130244504.db2.gz PYUPTWAUIMEMHJ-CJJGVWJISA-N 0 3 488.584 4.931 50 30 JJEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102722564 130267930 /nfs/dbraw/zinc/26/79/30/130267930.db2.gz UOWONNOGKCGEHK-CZNAVJSXSA-N 0 3 488.559 4.696 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000102724521 130269471 /nfs/dbraw/zinc/26/94/71/130269471.db2.gz OTAPCHGVDZKWNS-NPJIAGGLSA-N 0 3 464.606 4.854 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000102724521 130269472 /nfs/dbraw/zinc/26/94/72/130269472.db2.gz OTAPCHGVDZKWNS-NPJIAGGLSA-N 0 3 464.606 4.854 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102886392 130367574 /nfs/dbraw/zinc/36/75/74/130367574.db2.gz NVFOSQUEYKLOEP-MOBKVPTQSA-N 0 3 456.970 4.501 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102891403 130372675 /nfs/dbraw/zinc/37/26/75/130372675.db2.gz HWLMUABTCRJODS-CZNAVJSXSA-N 0 3 488.559 4.778 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccnc1 ZINC000102925994 130397158 /nfs/dbraw/zinc/39/71/58/130397158.db2.gz XCTIMANDNAXWIG-UUALVTFQSA-N 0 3 499.611 4.733 50 30 JJEAHN C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036309098 518714030 /nfs/dbraw/zinc/71/40/30/518714030.db2.gz ZEQJYFRUYXYQIP-RDGATRHJSA-N 0 3 470.679 4.846 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2F)nc1C ZINC000003643601 518978547 /nfs/dbraw/zinc/97/85/47/518978547.db2.gz VSJGVDSTVJTWAZ-IBGZPJMESA-N 0 3 476.485 4.790 50 30 JJEAHN C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307215 518991824 /nfs/dbraw/zinc/99/18/24/518991824.db2.gz YKDXZRLKCJDBKR-JOCHJYFZSA-N 0 3 453.558 4.794 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020281340 519061693 /nfs/dbraw/zinc/06/16/93/519061693.db2.gz SFYAOXOHXGJNON-QFIPXVFZSA-N 0 3 499.405 4.544 50 30 JJEAHN C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1c(OC)ccc3ccccc31)C2 ZINC000014740929 519287813 /nfs/dbraw/zinc/28/78/13/519287813.db2.gz GWLZSUJMSJRUSH-OAQYLSRUSA-N 0 3 458.606 4.504 50 30 JJEAHN CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(Cc3cccc4cccnc43)CC2)C1=O ZINC000012098604 519339391 /nfs/dbraw/zinc/33/93/91/519339391.db2.gz TZBLZDGNAQNBCW-HKBQPEDESA-N 0 3 494.639 4.784 50 30 JJEAHN CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014983142 519340045 /nfs/dbraw/zinc/34/00/45/519340045.db2.gz UFZIGESBCAFMKQ-SSEXGKCCSA-N 0 3 482.628 4.717 50 30 JJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009374030 519675640 /nfs/dbraw/zinc/67/56/40/519675640.db2.gz ZXAGDKDKVOAOGN-AFMDSPMNSA-N 0 3 492.616 4.575 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009243853 519778463 /nfs/dbraw/zinc/77/84/63/519778463.db2.gz UUBSQPSUCJWNQE-JOCHJYFZSA-N 0 3 456.970 4.657 50 30 JJEAHN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009275069 519782114 /nfs/dbraw/zinc/78/21/14/519782114.db2.gz BQCNDKIQNHQEDO-MOBKVPTQSA-N 0 3 456.970 4.501 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024081235 520328947 /nfs/dbraw/zinc/32/89/47/520328947.db2.gz UPAOTSBZQJPFHJ-SANMLTNESA-N 0 3 493.648 4.770 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024081235 520328961 /nfs/dbraw/zinc/32/89/61/520328961.db2.gz UPAOTSBZQJPFHJ-SANMLTNESA-N 0 3 493.648 4.770 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccs1 ZINC000020358232 520656577 /nfs/dbraw/zinc/65/65/77/520656577.db2.gz PCPYPAFGYZIXAW-QFIPXVFZSA-N 0 3 456.608 4.703 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000016733429 520876059 /nfs/dbraw/zinc/87/60/59/520876059.db2.gz HVOXAUJBQWFLQU-JOCHJYFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731281 520894249 /nfs/dbraw/zinc/89/42/49/520894249.db2.gz WHZFRKPBADRSSA-RUZDIDTESA-N 0 3 498.595 4.933 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020065660 521239534 /nfs/dbraw/zinc/23/95/34/521239534.db2.gz HRWLLMCDAKRLJI-AREMUKBSSA-N 0 3 494.632 4.959 50 30 JJEAHN COc1ccc(/C=C2/Oc3c(ccc4c3CN(C[C@@H]3CCCN5CCCC[C@H]35)CO4)C2=O)cc1OC ZINC000020762718 523410651 /nfs/dbraw/zinc/41/06/51/523410651.db2.gz XZDDNTAMAUXQTH-VPDZJZAGSA-N 0 3 490.600 4.736 50 30 biogenic JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000015228431 523550645 /nfs/dbraw/zinc/55/06/45/523550645.db2.gz YKEZAISBTWTCAJ-HSZRJFAPSA-N 0 3 468.569 4.662 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009271387 523553556 /nfs/dbraw/zinc/55/35/56/523553556.db2.gz XJQORTPDGDWJDG-DEOSSOPVSA-N 0 3 464.606 4.831 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000009328907 524054074 /nfs/dbraw/zinc/05/40/74/524054074.db2.gz GHMTURSMRXSRMZ-CZNAVJSXSA-N 0 3 470.569 4.639 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020391180 524054676 /nfs/dbraw/zinc/05/46/76/524054676.db2.gz VZAIZYYHPVRWKM-SANMLTNESA-N 0 3 488.559 4.935 50 30 JJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(C(C)C)cc3)oc21 ZINC000009046607 524256551 /nfs/dbraw/zinc/25/65/51/524256551.db2.gz CEACRKDJZAHIER-NXLSWJSLSA-N 0 3 476.573 4.938 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000009239853 525367642 /nfs/dbraw/zinc/36/76/42/525367642.db2.gz AZNQHDBXYALAIT-DEOSSOPVSA-N 0 3 468.569 4.699 50 30 JJEAHN O[C@H](CNCc1ccc(C(F)(F)F)cc1)CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1 ZINC000012369016 526278057 /nfs/dbraw/zinc/27/80/57/526278057.db2.gz IXHFDNGUDSKYEQ-GSPYRZCJSA-N 0 3 475.294 4.854 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009043575 527091715 /nfs/dbraw/zinc/09/17/15/527091715.db2.gz OKGRJXHJEGRRGZ-XMMPIXPASA-N 0 3 474.605 4.605 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009043575 527091720 /nfs/dbraw/zinc/09/17/20/527091720.db2.gz OKGRJXHJEGRRGZ-XMMPIXPASA-N 0 3 474.605 4.605 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000102517579 536562793 /nfs/dbraw/zinc/56/27/93/536562793.db2.gz KPAVILHIMNYDNO-MRJHHRETSA-N 0 3 477.388 4.684 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccco3)cc2)c1 ZINC000008996488 554857191 /nfs/dbraw/zinc/85/71/91/554857191.db2.gz VKSONHFUKHBRIK-VWLOTQADSA-N 0 3 474.557 4.697 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccs1 ZINC000008996584 554857321 /nfs/dbraw/zinc/85/73/21/554857321.db2.gz STFJINVUAVXYRP-QFIPXVFZSA-N 0 3 456.608 4.621 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007570 554860619 /nfs/dbraw/zinc/86/06/19/554860619.db2.gz CWNGFWBRAHCGPT-AYWGPLOBSA-N 0 3 452.570 4.887 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007570 554860621 /nfs/dbraw/zinc/86/06/21/554860621.db2.gz CWNGFWBRAHCGPT-AYWGPLOBSA-N 0 3 452.570 4.887 50 30 JJEAHN N#Cc1c(NC(=O)CCN2CCC(C(=O)Nc3ccccc3)CC2)sc2c1CCCCC2 ZINC000009501445 555285977 /nfs/dbraw/zinc/28/59/77/555285977.db2.gz UWWFVERGQZNUOI-UHFFFAOYSA-N 0 3 450.608 4.568 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)ccc1OCC(C)C ZINC000013451431 555400893 /nfs/dbraw/zinc/40/08/93/555400893.db2.gz XTPOSLGHMWZDSM-QFIPXVFZSA-N 0 3 456.608 4.621 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000013809839 555624466 /nfs/dbraw/zinc/62/44/66/555624466.db2.gz LAAQLSOVQXBFRX-IBGZPJMESA-N 0 3 477.786 4.633 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)C)cc1 ZINC000020132452 555657023 /nfs/dbraw/zinc/65/70/23/555657023.db2.gz PBKLVHFSBDNCOJ-OAQYLSRUSA-N 0 3 455.624 4.803 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1F ZINC000020219186 555713458 /nfs/dbraw/zinc/71/34/58/555713458.db2.gz LXGDETBTUDRIQG-JOCHJYFZSA-N 0 3 466.509 4.501 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020219748 555715814 /nfs/dbraw/zinc/71/58/14/555715814.db2.gz ITNJWTJQJXOYJG-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020231602 555721730 /nfs/dbraw/zinc/72/17/30/555721730.db2.gz IKNCTXBKVKYRCK-RUZDIDTESA-N 0 3 480.605 4.794 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020231602 555721732 /nfs/dbraw/zinc/72/17/32/555721732.db2.gz IKNCTXBKVKYRCK-RUZDIDTESA-N 0 3 480.605 4.794 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020265092 555747357 /nfs/dbraw/zinc/74/73/57/555747357.db2.gz IRJSYZDSSZUMHE-HSZRJFAPSA-N 0 3 454.542 4.535 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000020281398 555752232 /nfs/dbraw/zinc/75/22/32/555752232.db2.gz IODGCDNQPPIWDG-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020329328 555775224 /nfs/dbraw/zinc/77/52/24/555775224.db2.gz YECJJZUPNYCYSZ-NIYFSFCBSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024080688 556119082 /nfs/dbraw/zinc/11/90/82/556119082.db2.gz RPJPMZOMQGGYTE-XMMPIXPASA-N 0 3 450.579 4.622 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)cc1C ZINC000024081042 556119773 /nfs/dbraw/zinc/11/97/73/556119773.db2.gz MSWLXBFZLPHYJJ-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1C ZINC000024115934 556122224 /nfs/dbraw/zinc/12/22/24/556122224.db2.gz BOVVQBPGHRAMGX-DEOSSOPVSA-N 0 3 466.553 4.619 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1C ZINC000024115934 556122226 /nfs/dbraw/zinc/12/22/26/556122226.db2.gz BOVVQBPGHRAMGX-DEOSSOPVSA-N 0 3 466.553 4.619 50 30 JJEAHN Cc1nn2c3ccccc3n(CCN3CCCCC3)c2c1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000096602349 569742622 /nfs/dbraw/zinc/74/26/22/569742622.db2.gz FZCLAFYBLSXGRD-BUHFOSPRSA-N 0 3 457.534 4.888 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346821 569771015 /nfs/dbraw/zinc/77/10/15/569771015.db2.gz JEVVDZCEKWYCSA-VWNXMTODSA-N 0 3 461.606 4.799 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000102169010 569810434 /nfs/dbraw/zinc/81/04/34/569810434.db2.gz OJAWETIVEKGKGR-SBXHHDGASA-N 0 3 468.569 4.542 50 30 JJEAHN N#CC(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2n1 ZINC000040150589 569819655 /nfs/dbraw/zinc/81/96/55/569819655.db2.gz ZGMCVFZYECNJRA-HXUWFJFHSA-N 0 3 451.448 4.982 50 30 JJEAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102767409 569823221 /nfs/dbraw/zinc/82/32/21/569823221.db2.gz CZXINPNTHRBICH-ZONZVBGPSA-N 0 3 497.551 4.797 50 30 JJEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(/C=C/c2ccccc2)CC1 ZINC000049625224 569849818 /nfs/dbraw/zinc/84/98/18/569849818.db2.gz XXZOOEAHOHAGRX-RFAWQRTRSA-N 0 3 481.600 4.906 50 30 JJEAHN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C ZINC000245279130 570061407 /nfs/dbraw/zinc/06/14/07/570061407.db2.gz DRYQRDKAMSGNRH-XUZZJYLKSA-N 0 3 456.652 4.599 50 30 JJEAHN O=C(Oc1ccc(C=Nc2ccc(N3CCNCC3)cc2)cc1)c1ccc(Br)cc1 ZINC000252638883 570090220 /nfs/dbraw/zinc/09/02/20/570090220.db2.gz YGOWHRKLIUHDHZ-UHFFFAOYSA-N 0 3 464.363 4.829 50 30 JJEAHN CN(C)C[C@H]1CCC2=C(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CC[C@@H](CN(C)C)C1=O)O2 ZINC000263595997 570172568 /nfs/dbraw/zinc/17/25/68/570172568.db2.gz FEHKQTCFKALTRL-JIPZTSHUSA-N 0 3 477.432 4.697 50 30 in-vitro JJEAHN CCCCN(C)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000096498742 130108080 /nfs/dbraw/zinc/10/80/80/130108080.db2.gz XKWCTPCDMGHMSE-YLQXFRFJSA-N 0 3 450.579 4.647 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102368630 130122005 /nfs/dbraw/zinc/12/20/05/130122005.db2.gz ISKHTIOXVFPPAF-IUKMQXEJSA-N 0 3 464.606 4.971 50 30 JJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1 ZINC000102491546 130145781 /nfs/dbraw/zinc/14/57/81/130145781.db2.gz WDMVKXMUGIFKMV-UUALVTFQSA-N 0 3 484.596 4.947 50 30 JJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1C ZINC000102538004 130192783 /nfs/dbraw/zinc/19/27/83/130192783.db2.gz CJDCWQZGBVNTPP-NPJIAGGLSA-N 0 3 480.605 4.643 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1C ZINC000102538004 130192786 /nfs/dbraw/zinc/19/27/86/130192786.db2.gz CJDCWQZGBVNTPP-NPJIAGGLSA-N 0 3 480.605 4.643 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000102879927 130355113 /nfs/dbraw/zinc/35/51/13/130355113.db2.gz MQOVUTYKCRTMEH-HUPAGYGUSA-N 0 3 476.617 4.897 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000102879927 130355116 /nfs/dbraw/zinc/35/51/16/130355116.db2.gz MQOVUTYKCRTMEH-HUPAGYGUSA-N 0 3 476.617 4.897 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@H](C)CC ZINC000036302082 518304153 /nfs/dbraw/zinc/30/41/53/518304153.db2.gz CVRLLENKLXIKNZ-QPPBQGQZSA-N 0 3 477.605 4.593 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303993 518311477 /nfs/dbraw/zinc/31/14/77/518311477.db2.gz RIGLTMCYDQBXKP-HSZRJFAPSA-N 0 3 483.559 4.720 50 30 JJEAHN C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309408 518723467 /nfs/dbraw/zinc/72/34/67/518723467.db2.gz YOJQSMOGKGNHNX-UPVQGACJSA-N 0 3 470.679 4.909 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)CC(C)C ZINC000036246114 518985711 /nfs/dbraw/zinc/98/57/11/518985711.db2.gz PMCFAJFXXSNURX-SANMLTNESA-N 0 3 475.633 4.926 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307341 518985807 /nfs/dbraw/zinc/98/58/07/518985807.db2.gz VVLUJMSFSSCXBB-QHCPKHFHSA-N 0 3 465.569 4.794 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305709 518986449 /nfs/dbraw/zinc/98/64/49/518986449.db2.gz GZDZLJSNCNKVFO-QHCPKHFHSA-N 0 3 479.621 4.910 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306893 518994709 /nfs/dbraw/zinc/99/47/09/518994709.db2.gz IYOSBZJJOUEPTK-JOCHJYFZSA-N 0 3 465.569 4.794 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000016734880 519019941 /nfs/dbraw/zinc/01/99/41/519019941.db2.gz GSRFBONJSMPCDI-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000016734880 519019950 /nfs/dbraw/zinc/01/99/50/519019950.db2.gz GSRFBONJSMPCDI-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009234220 519058836 /nfs/dbraw/zinc/05/88/36/519058836.db2.gz IRQUATUPDYHYMQ-ZHHPLPSFSA-N 0 3 468.981 4.668 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009234220 519058839 /nfs/dbraw/zinc/05/88/39/519058839.db2.gz IRQUATUPDYHYMQ-ZHHPLPSFSA-N 0 3 468.981 4.668 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000016735707 519062464 /nfs/dbraw/zinc/06/24/64/519062464.db2.gz KUDWEVNDOPYNRH-SANMLTNESA-N 0 3 492.616 4.960 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000016735707 519062477 /nfs/dbraw/zinc/06/24/77/519062477.db2.gz KUDWEVNDOPYNRH-SANMLTNESA-N 0 3 492.616 4.960 50 30 JJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009374026 519675751 /nfs/dbraw/zinc/67/57/51/519675751.db2.gz ZXAGDKDKVOAOGN-NIYFSFCBSA-N 0 3 492.616 4.575 50 30 JJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000016734518 519675851 /nfs/dbraw/zinc/67/58/51/519675851.db2.gz YYIJBUDZXLRZET-XMMPIXPASA-N 0 3 468.569 4.781 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009244334 519778423 /nfs/dbraw/zinc/77/84/23/519778423.db2.gz OWVGMSLSGBMJFK-XMMPIXPASA-N 0 3 464.606 4.911 50 30 JJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009329053 520258258 /nfs/dbraw/zinc/25/82/58/520258258.db2.gz HYNKXEUWXFFNCU-NKHPTUSLSA-N 0 3 492.616 4.562 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009042918 520429915 /nfs/dbraw/zinc/42/99/15/520429915.db2.gz MCPOYXDSHCDIOX-AYWGPLOBSA-N 0 3 486.996 4.511 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccs1 ZINC000009436794 520651680 /nfs/dbraw/zinc/65/16/80/520651680.db2.gz DFHSXNBEGWPJQN-HOGKFDNTSA-N 0 3 456.608 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccncc1 ZINC000009043276 520654393 /nfs/dbraw/zinc/65/43/93/520654393.db2.gz SGKYXHYYXDBTJK-UUALVTFQSA-N 0 3 499.611 4.733 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009044807 520842243 /nfs/dbraw/zinc/84/22/43/520842243.db2.gz ZNAXTRYQIHVPFE-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009044807 520842250 /nfs/dbraw/zinc/84/22/50/520842250.db2.gz ZNAXTRYQIHVPFE-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000009066081 520857040 /nfs/dbraw/zinc/85/70/40/520857040.db2.gz GCWKWHBRIWDLQX-DEOSSOPVSA-N 0 3 495.576 4.612 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009437147 521234480 /nfs/dbraw/zinc/23/44/80/521234480.db2.gz VOYSZAHOVHCKRG-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009437147 521234491 /nfs/dbraw/zinc/23/44/91/521234491.db2.gz VOYSZAHOVHCKRG-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C ZINC000020357491 521579174 /nfs/dbraw/zinc/57/91/74/521579174.db2.gz DPRYADPGUYVWKD-RUZDIDTESA-N 0 3 480.605 4.650 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000009072709 521590918 /nfs/dbraw/zinc/59/09/18/521590918.db2.gz PNZLZZJDOVMCJM-CZNAVJSXSA-N 0 3 494.632 4.802 50 30 JJEAHN CC[C@H]1CCc2sc(-c3nnc(SCC(=O)C(C#N)c4nc(C)cs4)n3C)cc2C1 ZINC000009515966 523208548 /nfs/dbraw/zinc/20/85/48/523208548.db2.gz UBKBHERMBFXTLB-ZFWWWQNUSA-N 0 3 457.650 4.792 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009235094 523549916 /nfs/dbraw/zinc/54/99/16/523549916.db2.gz ZFFRYNBOILHRDZ-OAQYLSRUSA-N 0 3 477.388 4.840 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000020437598 524055127 /nfs/dbraw/zinc/05/51/27/524055127.db2.gz KBMJHGBDQZTWAJ-SANMLTNESA-N 0 3 486.568 4.501 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000020357867 524055209 /nfs/dbraw/zinc/05/52/09/524055209.db2.gz VDRNLFOVXUSQQG-SANMLTNESA-N 0 3 470.569 4.796 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3)cc2)c1 ZINC000009356896 524444470 /nfs/dbraw/zinc/44/44/70/524444470.db2.gz ODROJUFDGYNPHV-SANMLTNESA-N 0 3 470.569 4.714 50 30 JJEAHN O=C(Oc1ccc(/C=N/c2ccc(N3CCNCC3)cc2)cc1)c1ccc(Br)cc1 ZINC000000973753 553888128 /nfs/dbraw/zinc/88/81/28/553888128.db2.gz YGOWHRKLIUHDHZ-WPWMEQJKSA-N 0 3 464.363 4.829 50 30 JJEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000002380171 554175050 /nfs/dbraw/zinc/17/50/50/554175050.db2.gz NQACPCCVWPQCES-QFIPXVFZSA-N 0 3 473.552 4.579 50 30 JJEAHN C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890327 554408731 /nfs/dbraw/zinc/40/87/31/554408731.db2.gz IQGCFSPMPDZBBZ-JOCHJYFZSA-N 0 3 452.938 4.508 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008996772 554857872 /nfs/dbraw/zinc/85/78/72/554857872.db2.gz XQKXUGDAHBGKFN-SBXHHDGASA-N 0 3 450.579 4.581 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007984 554861920 /nfs/dbraw/zinc/86/19/20/554861920.db2.gz XPSSUDOCOSMSOF-XMMPIXPASA-N 0 3 488.632 4.779 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007984 554861923 /nfs/dbraw/zinc/86/19/23/554861923.db2.gz XPSSUDOCOSMSOF-XMMPIXPASA-N 0 3 488.632 4.779 50 30 JJEAHN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2C)=C(O)C(=O)N1CCCN(C)C ZINC000013427547 555400572 /nfs/dbraw/zinc/40/05/72/555400572.db2.gz BEVFJBDFHNFZCG-VWLOTQADSA-N 0 3 480.605 4.568 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c(C)c1 ZINC000020029642 555605192 /nfs/dbraw/zinc/60/51/92/555605192.db2.gz PRXAQIICBQWIJM-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 ZINC000020029635 555605200 /nfs/dbraw/zinc/60/52/00/555605200.db2.gz HPOPQTLXDRDOTH-XMMPIXPASA-N 0 3 450.579 4.702 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 ZINC000020029635 555605203 /nfs/dbraw/zinc/60/52/03/555605203.db2.gz HPOPQTLXDRDOTH-XMMPIXPASA-N 0 3 450.579 4.702 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000020057972 555621405 /nfs/dbraw/zinc/62/14/05/555621405.db2.gz RVGGCPJPYUTYLX-RUZDIDTESA-N 0 3 464.606 4.950 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000020057972 555621409 /nfs/dbraw/zinc/62/14/09/555621409.db2.gz RVGGCPJPYUTYLX-RUZDIDTESA-N 0 3 464.606 4.950 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000013809840 555624456 /nfs/dbraw/zinc/62/44/56/555624456.db2.gz LAAQLSOVQXBFRX-LJQANCHMSA-N 0 3 477.786 4.633 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)cc1 ZINC000020065545 555625292 /nfs/dbraw/zinc/62/52/92/555625292.db2.gz KGUZXJDCWVDYTN-RUZDIDTESA-N 0 3 480.605 4.656 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccnc1 ZINC000020102702 555635010 /nfs/dbraw/zinc/63/50/10/555635010.db2.gz PSSHLODEBWZUPD-MHZLTWQESA-N 0 3 499.611 4.889 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000020135661 555660031 /nfs/dbraw/zinc/66/00/31/555660031.db2.gz HPPAERXENZHIDA-QFIPXVFZSA-N 0 3 499.405 4.544 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020171305 555680799 /nfs/dbraw/zinc/68/07/99/555680799.db2.gz HRXIFUWXLRQFHV-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020171305 555680803 /nfs/dbraw/zinc/68/08/03/555680803.db2.gz HRXIFUWXLRQFHV-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000020171981 555681286 /nfs/dbraw/zinc/68/12/86/555681286.db2.gz OFLQKZZYFRHFNI-XMMPIXPASA-N 0 3 450.579 4.739 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000020171981 555681290 /nfs/dbraw/zinc/68/12/90/555681290.db2.gz OFLQKZZYFRHFNI-XMMPIXPASA-N 0 3 450.579 4.739 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020188355 555690530 /nfs/dbraw/zinc/69/05/30/555690530.db2.gz KGVRKMMJVXDZAH-XMMPIXPASA-N 0 3 495.576 4.611 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000020191112 555692050 /nfs/dbraw/zinc/69/20/50/555692050.db2.gz OTOMKXLEFHUVRC-FQEVSTJZSA-N 0 3 475.358 4.508 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020191911 555693128 /nfs/dbraw/zinc/69/31/28/555693128.db2.gz MZLNEGKMLNPKNL-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020191911 555693131 /nfs/dbraw/zinc/69/31/31/555693131.db2.gz MZLNEGKMLNPKNL-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020192493 555693296 /nfs/dbraw/zinc/69/32/96/555693296.db2.gz YVDATUOHEWCMPE-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020192493 555693299 /nfs/dbraw/zinc/69/32/99/555693299.db2.gz YVDATUOHEWCMPE-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020193046 555693992 /nfs/dbraw/zinc/69/39/92/555693992.db2.gz XXPNQIIFLIZSPB-XMMPIXPASA-N 0 3 460.530 4.528 50 30 JJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)oc21 ZINC000020219197 555713312 /nfs/dbraw/zinc/71/33/12/555713312.db2.gz TVMOEFXDZYHKJH-OAQYLSRUSA-N 0 3 468.937 4.625 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020227598 555717990 /nfs/dbraw/zinc/71/79/90/555717990.db2.gz JZNVXMIKPPDBLB-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020227598 555717993 /nfs/dbraw/zinc/71/79/93/555717993.db2.gz JZNVXMIKPPDBLB-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230489 555721018 /nfs/dbraw/zinc/72/10/18/555721018.db2.gz RHZXPWISJZMWCE-HXUWFJFHSA-N 0 3 463.361 4.532 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020266919 555748345 /nfs/dbraw/zinc/74/83/45/555748345.db2.gz RGHKQKGMZCKCEH-NIYFSFCBSA-N 0 3 492.616 4.719 50 30 JJEAHN C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3CCCOC)CC1 ZINC000014540215 555830385 /nfs/dbraw/zinc/83/03/85/555830385.db2.gz BHPHWCFWBWBKGF-RUZDIDTESA-N 0 3 495.664 4.633 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000024080609 556118775 /nfs/dbraw/zinc/11/87/75/556118775.db2.gz ORCJRMCQPHPPAS-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000024080609 556118778 /nfs/dbraw/zinc/11/87/78/556118778.db2.gz ORCJRMCQPHPPAS-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1C ZINC000024116187 556122271 /nfs/dbraw/zinc/12/22/71/556122271.db2.gz RHRHBBBALGRQCM-VWLOTQADSA-N 0 3 462.590 4.788 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1C ZINC000024116187 556122272 /nfs/dbraw/zinc/12/22/72/556122272.db2.gz RHRHBBBALGRQCM-VWLOTQADSA-N 0 3 462.590 4.788 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024334118 556129712 /nfs/dbraw/zinc/12/97/12/556129712.db2.gz HGVJRBWHIHRALK-SANMLTNESA-N 0 3 491.632 4.546 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024334118 556129714 /nfs/dbraw/zinc/12/97/14/556129714.db2.gz HGVJRBWHIHRALK-SANMLTNESA-N 0 3 491.632 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1C1=CC=C(C(C)(C)C)CC1 ZINC000016750484 556156865 /nfs/dbraw/zinc/15/68/65/556156865.db2.gz OHJBDEMSERZSQD-RUZDIDTESA-N 0 3 494.632 4.698 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000019787593 556369931 /nfs/dbraw/zinc/36/99/31/556369931.db2.gz DFGFARFRGMTMON-WIJYMUHASA-N 0 3 483.406 4.769 50 30 JJEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000032777105 556492286 /nfs/dbraw/zinc/49/22/86/556492286.db2.gz AEXMAQHHFSCIFW-NRFANRHFSA-N 0 3 469.699 4.661 50 30 JJEAHN Cc1cc(S[C@H](C)C(=O)NC[C@H](c2ccccc2)N(C)C)n2c3ccccc3nc2c1C#N ZINC000032904869 556530457 /nfs/dbraw/zinc/53/04/57/556530457.db2.gz JNFRDHNLMJACCA-WZONZLPQSA-N 0 3 457.603 4.567 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316288 569762644 /nfs/dbraw/zinc/76/26/44/569762644.db2.gz RQMSSRYXCQMBLU-UPVQGACJSA-N 0 3 461.606 4.838 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316554 569763291 /nfs/dbraw/zinc/76/32/91/569763291.db2.gz AGWUFFNHMYXGEK-NRFANRHFSA-N 0 3 467.997 4.754 50 30 JJEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000100865832 569772912 /nfs/dbraw/zinc/77/29/12/569772912.db2.gz GRHRDDLVMYFUJB-SMIHKQSGSA-N 0 3 485.565 4.558 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287221 569789261 /nfs/dbraw/zinc/78/92/61/569789261.db2.gz BQJBAUBRSVMTMS-NXLSWJSLSA-N 0 3 462.590 4.532 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C)cc1 ZINC000102861609 569824913 /nfs/dbraw/zinc/82/49/13/569824913.db2.gz YHLXTRDNBINBFY-AYWGPLOBSA-N 0 3 462.546 4.513 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102861240 569825011 /nfs/dbraw/zinc/82/50/11/569825011.db2.gz OFTUGGBHYSKBQZ-NXLSWJSLSA-N 0 3 464.606 4.756 50 30 JJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000102932423 569828761 /nfs/dbraw/zinc/82/87/61/569828761.db2.gz PDZUCMWLEDKOSV-SBXHHDGASA-N 0 3 476.598 4.619 50 30 JJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000102932421 569828894 /nfs/dbraw/zinc/82/88/94/569828894.db2.gz PDZUCMWLEDKOSV-NXLSWJSLSA-N 0 3 476.598 4.619 50 30 JJEAHN CCCCCCCC(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC ZINC000102991592 569830799 /nfs/dbraw/zinc/83/07/99/569830799.db2.gz BSEPILGXPXIZBF-UHFFFAOYSA-N 0 3 483.719 4.512 50 30 JJEAHN CCCCN(C)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000169616035 569868275 /nfs/dbraw/zinc/86/82/75/569868275.db2.gz XKWCTPCDMGHMSE-VZNHHXIYSA-N 0 3 450.579 4.647 50 30 JJEAHN C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245279141 570061291 /nfs/dbraw/zinc/06/12/91/570061291.db2.gz FFLUEWPFTMCFEA-XUZZJYLKSA-N 0 3 456.652 4.600 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009275609 124080102 /nfs/dbraw/zinc/08/01/02/124080102.db2.gz OCXRPRYTEYRFAB-NXLSWJSLSA-N 0 3 492.572 4.604 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000009275716 124080921 /nfs/dbraw/zinc/08/09/21/124080921.db2.gz FXLAVGZZDAYOPP-AYWGPLOBSA-N 0 3 486.996 4.511 50 30 JJEAHN CN(C)C[C@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@H](CN(C)C)C1=O)O2 ZINC000001588177 194128791 /nfs/dbraw/zinc/12/87/91/194128791.db2.gz FEHKQTCFKALTRL-HZPDHXFCSA-N 0 3 477.432 4.697 50 30 in-vitro JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000102583387 130216820 /nfs/dbraw/zinc/21/68/20/130216820.db2.gz ORGBBNDBZYXYBZ-HOGKFDNTSA-N 0 3 474.960 4.640 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 ZINC000102705158 130250627 /nfs/dbraw/zinc/25/06/27/130250627.db2.gz MKWFMWDHKSFRCG-SBXHHDGASA-N 0 3 450.579 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 ZINC000102705158 130250631 /nfs/dbraw/zinc/25/06/31/130250631.db2.gz MKWFMWDHKSFRCG-SBXHHDGASA-N 0 3 450.579 4.546 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102705472 130251138 /nfs/dbraw/zinc/25/11/38/130251138.db2.gz DECCJMDISWTDJQ-CZNAVJSXSA-N 0 3 494.632 4.802 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102715490 130261625 /nfs/dbraw/zinc/26/16/25/130261625.db2.gz FDMVKZRIJKTVHE-CJJGVWJISA-N 0 3 488.559 4.696 50 30 JJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102856484 130326388 /nfs/dbraw/zinc/32/63/88/130326388.db2.gz YWKYWTCSTXHASB-CJJGVWJISA-N 0 3 486.616 4.678 50 30 JJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102856479 130326411 /nfs/dbraw/zinc/32/64/11/130326411.db2.gz YWKYWTCSTXHASB-CZNAVJSXSA-N 0 3 486.616 4.678 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3)cc2)c1 ZINC000102890218 130371522 /nfs/dbraw/zinc/37/15/22/130371522.db2.gz BWZUWHNZXDGMPM-CJJGVWJISA-N 0 3 470.569 4.557 50 30 JJEAHN C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000036309097 518712741 /nfs/dbraw/zinc/71/27/41/518712741.db2.gz ZEQJYFRUYXYQIP-RCZVLFRGSA-N 0 3 470.679 4.846 50 30 JJEAHN C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000012039945 518999258 /nfs/dbraw/zinc/99/92/58/518999258.db2.gz AVFIMILVUHHYNC-RPBOFIJWSA-N 0 3 471.066 4.979 50 30 JJEAHN C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(C/C(C)=C/c1ccco1)CC2 ZINC000014879506 519000005 /nfs/dbraw/zinc/00/00/05/519000005.db2.gz ZVDZXDWPUUYWRR-WTFCABQNSA-N 0 3 466.647 4.822 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009271651 519011660 /nfs/dbraw/zinc/01/16/60/519011660.db2.gz RKXACKPWIQURTR-CZNAVJSXSA-N 0 3 490.600 4.580 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009271651 519011665 /nfs/dbraw/zinc/01/16/65/519011665.db2.gz RKXACKPWIQURTR-CZNAVJSXSA-N 0 3 490.600 4.580 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024116226 519047396 /nfs/dbraw/zinc/04/73/96/519047396.db2.gz YBXSVTHRQVYWGX-SANMLTNESA-N 0 3 490.600 4.655 50 30 JJEAHN C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036308839 519298902 /nfs/dbraw/zinc/29/89/02/519298902.db2.gz TYXNDIQYGIEFHO-WNCULLNHSA-N 0 3 465.569 4.937 50 30 JJEAHN CC(C)(O)C#Cc1ccc(CN2CCC3(C[C@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012218703 519330637 /nfs/dbraw/zinc/33/06/37/519330637.db2.gz KUAUFLOUYYCFQZ-DEOSSOPVSA-N 0 3 484.562 4.746 50 30 JJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009374018 519675650 /nfs/dbraw/zinc/67/56/50/519675650.db2.gz ZXAGDKDKVOAOGN-SIBVEZHUSA-N 0 3 492.616 4.575 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009353080 520469783 /nfs/dbraw/zinc/46/97/83/520469783.db2.gz BXNJAYFBHRMSPD-NXLSWJSLSA-N 0 3 450.579 4.547 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009353080 520469794 /nfs/dbraw/zinc/46/97/94/520469794.db2.gz BXNJAYFBHRMSPD-NXLSWJSLSA-N 0 3 450.579 4.547 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1 ZINC000009271053 520649168 /nfs/dbraw/zinc/64/91/68/520649168.db2.gz STIWZNNOHSNDGP-HOGKFDNTSA-N 0 3 497.389 4.959 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)cc1C ZINC000009237591 520858043 /nfs/dbraw/zinc/85/80/43/520858043.db2.gz UKGWMXHLRWKWIZ-JOCHJYFZSA-N 0 3 456.608 4.765 50 30 JJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000016735783 520909936 /nfs/dbraw/zinc/90/99/36/520909936.db2.gz HERSFEKWAUSWRQ-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020394603 521235873 /nfs/dbraw/zinc/23/58/73/521235873.db2.gz HPWDBOFCCIAZOJ-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020394603 521235882 /nfs/dbraw/zinc/23/58/82/521235882.db2.gz HPWDBOFCCIAZOJ-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000009070766 523371413 /nfs/dbraw/zinc/37/14/13/523371413.db2.gz OASFPMJWGDECQX-AYWGPLOBSA-N 0 3 470.997 4.845 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020390446 525985882 /nfs/dbraw/zinc/98/58/82/525985882.db2.gz BWRMCNGDVHVURD-DEOSSOPVSA-N 0 3 450.579 4.560 50 30 JJEAHN Cc1nn2c3ccccc3n(CCN3CCCCC3)c2c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000009246722 526315508 /nfs/dbraw/zinc/31/55/08/526315508.db2.gz BMQYULFPSLMHGJ-SDNWHVSQSA-N 0 3 457.534 4.888 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102859643 535284811 /nfs/dbraw/zinc/28/48/11/535284811.db2.gz MTGOSQBZTJWMJQ-IUKMQXEJSA-N 0 3 480.605 4.638 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102859643 535284824 /nfs/dbraw/zinc/28/48/24/535284824.db2.gz MTGOSQBZTJWMJQ-IUKMQXEJSA-N 0 3 480.605 4.638 50 30 JJEAHN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102644460 535373928 /nfs/dbraw/zinc/37/39/28/535373928.db2.gz CNHDSVWQPPIAJS-YJBPAFNHSA-N 0 3 462.590 4.507 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102486687 536562670 /nfs/dbraw/zinc/56/26/70/536562670.db2.gz XGTPSGYPRYRSNM-NXLSWJSLSA-N 0 3 464.606 4.675 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102873564 536563617 /nfs/dbraw/zinc/56/36/17/536563617.db2.gz XUGLOHGYJRKCBE-MRJHHRETSA-N 0 3 477.388 4.684 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102879075 536565533 /nfs/dbraw/zinc/56/55/33/536565533.db2.gz DIHYVADPYMNWRM-CZNAVJSXSA-N 0 3 486.568 4.779 50 30 JJEAHN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002422295 554199094 /nfs/dbraw/zinc/19/90/94/554199094.db2.gz HFKLRQMIFPEQAN-QHCPKHFHSA-N 0 3 497.986 4.960 50 30 JJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000008818097 554701525 /nfs/dbraw/zinc/70/15/25/554701525.db2.gz CKQHKAKZUVKLLU-XMMPIXPASA-N 0 3 476.598 4.775 50 30 JJEAHN Cc1cccc(N2CCN(c3nc4ccccc4nc3C(C#N)C(=O)OCc3ccccc3)CC2)c1C ZINC000008871143 554766139 /nfs/dbraw/zinc/76/61/39/554766139.db2.gz VQXFMWYCNFHRIX-DEOSSOPVSA-N 0 3 491.595 4.924 50 30 JJEAHN Cc1cccc(N2CCN(c3nc4ccccc4nc3C(C#N)C(=O)OCc3ccccc3)CC2)c1C ZINC000008871142 554766158 /nfs/dbraw/zinc/76/61/58/554766158.db2.gz VQXFMWYCNFHRIX-XMMPIXPASA-N 0 3 491.595 4.924 50 30 JJEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000008980306 554846574 /nfs/dbraw/zinc/84/65/74/554846574.db2.gz NQACPCCVWPQCES-JOCHJYFZSA-N 0 3 473.552 4.579 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008987067 554849714 /nfs/dbraw/zinc/84/97/14/554849714.db2.gz ODUUEJQNVKJFTN-NPJIAGGLSA-N 0 3 480.605 4.634 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009007823 554861173 /nfs/dbraw/zinc/86/11/73/554861173.db2.gz WZYRZRDNGLJOCN-SANMLTNESA-N 0 3 492.616 4.960 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009007823 554861176 /nfs/dbraw/zinc/86/11/76/554861176.db2.gz WZYRZRDNGLJOCN-SANMLTNESA-N 0 3 492.616 4.960 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007983 554861840 /nfs/dbraw/zinc/86/18/40/554861840.db2.gz XPSSUDOCOSMSOF-DEOSSOPVSA-N 0 3 488.632 4.779 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007983 554861842 /nfs/dbraw/zinc/86/18/42/554861842.db2.gz XPSSUDOCOSMSOF-DEOSSOPVSA-N 0 3 488.632 4.779 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000013550089 555491325 /nfs/dbraw/zinc/49/13/25/555491325.db2.gz LCCAUFHIQPOYDP-RUZDIDTESA-N 0 3 480.605 4.711 50 30 JJEAHN CC(=O)c1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1 ZINC000019889404 555529066 /nfs/dbraw/zinc/52/90/66/555529066.db2.gz CPCCLKNBANTDOU-UHFFFAOYSA-N 0 3 462.600 4.603 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019898532 555534090 /nfs/dbraw/zinc/53/40/90/555534090.db2.gz BSXWMQOTCKRXBL-FQEVSTJZSA-N 0 3 463.361 4.532 50 30 JJEAHN N#Cc1ccc(CN2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 ZINC000009850886 555553552 /nfs/dbraw/zinc/55/35/52/555553552.db2.gz OMADIKBTJZTOCA-UHFFFAOYSA-N 0 3 478.640 4.704 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccccc1 ZINC000020064429 555624522 /nfs/dbraw/zinc/62/45/22/555624522.db2.gz CGXTUYPLOJOLAW-RUZDIDTESA-N 0 3 464.606 4.950 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020150067 555666095 /nfs/dbraw/zinc/66/60/95/555666095.db2.gz SCTRKXLZNFSKJM-HSZRJFAPSA-N 0 3 486.996 4.667 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000020190775 555691701 /nfs/dbraw/zinc/69/17/01/555691701.db2.gz GOEZBGLQUDWNQA-NRFANRHFSA-N 0 3 471.395 4.678 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000020191116 555692419 /nfs/dbraw/zinc/69/24/19/555692419.db2.gz OTOMKXLEFHUVRC-HXUWFJFHSA-N 0 3 475.358 4.508 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020193534 555694901 /nfs/dbraw/zinc/69/49/01/555694901.db2.gz JYTGYOVZDFLFGW-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020193534 555694904 /nfs/dbraw/zinc/69/49/04/555694904.db2.gz JYTGYOVZDFLFGW-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(F)cc1 ZINC000020219193 555713434 /nfs/dbraw/zinc/71/34/34/555713434.db2.gz VOXWGOWWIFVVKI-QFIPXVFZSA-N 0 3 466.509 4.501 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219449 555714337 /nfs/dbraw/zinc/71/43/37/555714337.db2.gz IWHIWQYAIIEKID-VWLOTQADSA-N 0 3 478.589 4.569 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020227596 555718053 /nfs/dbraw/zinc/71/80/53/555718053.db2.gz JZNVXMIKPPDBLB-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020227596 555718056 /nfs/dbraw/zinc/71/80/56/555718056.db2.gz JZNVXMIKPPDBLB-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020230427 555721047 /nfs/dbraw/zinc/72/10/47/555721047.db2.gz ORCRJFKOACPQNM-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020230427 555721049 /nfs/dbraw/zinc/72/10/49/555721049.db2.gz ORCRJFKOACPQNM-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020264007 555746213 /nfs/dbraw/zinc/74/62/13/555746213.db2.gz NRXLSKGEKHLETB-JOCHJYFZSA-N 0 3 470.997 4.786 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020265120 555747223 /nfs/dbraw/zinc/74/72/23/555747223.db2.gz RCWYNSHGUTXOFY-XMMPIXPASA-N 0 3 464.606 4.913 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020265120 555747225 /nfs/dbraw/zinc/74/72/25/555747225.db2.gz RCWYNSHGUTXOFY-XMMPIXPASA-N 0 3 464.606 4.913 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020265117 555747306 /nfs/dbraw/zinc/74/73/06/555747306.db2.gz RCWYNSHGUTXOFY-DEOSSOPVSA-N 0 3 464.606 4.913 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020265117 555747308 /nfs/dbraw/zinc/74/73/08/555747308.db2.gz RCWYNSHGUTXOFY-DEOSSOPVSA-N 0 3 464.606 4.913 50 30 JJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020329321 555775153 /nfs/dbraw/zinc/77/51/53/555775153.db2.gz YECJJZUPNYCYSZ-BCHFMIIMSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024080691 556118967 /nfs/dbraw/zinc/11/89/67/556118967.db2.gz RPJPMZOMQGGYTE-DEOSSOPVSA-N 0 3 450.579 4.622 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024081251 556120201 /nfs/dbraw/zinc/12/02/01/556120201.db2.gz RHKFORNIPNXYRY-AREMUKBSSA-N 0 3 490.600 4.655 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081353 556120400 /nfs/dbraw/zinc/12/04/00/556120400.db2.gz VWLHTCFRIJHAEN-SANMLTNESA-N 0 3 492.616 4.879 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081353 556120402 /nfs/dbraw/zinc/12/04/02/556120402.db2.gz VWLHTCFRIJHAEN-SANMLTNESA-N 0 3 492.616 4.879 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081456 556120609 /nfs/dbraw/zinc/12/06/09/556120609.db2.gz DNPFRQNGCGZUBR-VWLOTQADSA-N 0 3 462.590 4.823 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081465 556120678 /nfs/dbraw/zinc/12/06/78/556120678.db2.gz REPVUEONNBETFO-HSZRJFAPSA-N 0 3 468.981 4.743 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024303466 556128883 /nfs/dbraw/zinc/12/88/83/556128883.db2.gz HHOWEKLPTIKGID-DEOSSOPVSA-N 0 3 464.606 4.831 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(OCC)c2)cc1 ZINC000016734456 556155706 /nfs/dbraw/zinc/15/57/06/556155706.db2.gz DSVFTLLJUCRNEN-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN Cc1cc(S[C@@H](C)C(=O)NC[C@@H](c2ccccc2)N(C)C)n2c3ccccc3nc2c1C#N ZINC000032904872 556530501 /nfs/dbraw/zinc/53/05/01/556530501.db2.gz JNFRDHNLMJACCA-MBSDFSHPSA-N 0 3 457.603 4.567 50 30 JJEAHN Cc1cc(S[C@@H](C)C(=O)NC[C@H](c2ccccc2)N(C)C)n2c3ccccc3nc2c1C#N ZINC000032904870 556530542 /nfs/dbraw/zinc/53/05/42/556530542.db2.gz JNFRDHNLMJACCA-FDDCHVKYSA-N 0 3 457.603 4.567 50 30 JJEAHN NC1=C(c2nc(-c3cccc(Cl)c3)cs2)C(=O)CN1C1CCN(Cc2ccccc2)CC1 ZINC000034769946 569659031 /nfs/dbraw/zinc/65/90/31/569659031.db2.gz JMBGJYKDZOKGJS-UHFFFAOYSA-N 0 3 465.022 4.640 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316117 569762038 /nfs/dbraw/zinc/76/20/38/569762038.db2.gz GLTFYPBNXCRRGW-JOCHJYFZSA-N 0 3 483.559 4.626 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345845 569768493 /nfs/dbraw/zinc/76/84/93/569768493.db2.gz SOMRKJXVZZEPMM-VWLOTQADSA-N 0 3 461.606 4.750 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000102169005 569810424 /nfs/dbraw/zinc/81/04/24/569810424.db2.gz OJAWETIVEKGKGR-NXLSWJSLSA-N 0 3 468.569 4.542 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102857323 569824538 /nfs/dbraw/zinc/82/45/38/569824538.db2.gz JSNDXZYJFZHJPK-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102874521 569826111 /nfs/dbraw/zinc/82/61/11/569826111.db2.gz QVBQVCWPCRDOGD-MRJHHRETSA-N 0 3 477.388 4.684 50 30 JJEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102930716 569828041 /nfs/dbraw/zinc/82/80/41/569828041.db2.gz WGGWHZJWHDDERD-CZNAVJSXSA-N 0 3 478.633 4.966 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102931614 569828433 /nfs/dbraw/zinc/82/84/33/569828433.db2.gz NLRIHDSLOQCIHZ-AYWGPLOBSA-N 0 3 470.997 4.845 50 30 JJEAHN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C(C)C ZINC000105004296 569849624 /nfs/dbraw/zinc/84/96/24/569849624.db2.gz VPARBBWJDMNOEN-URXFXBBRSA-N 0 3 456.652 4.599 50 30 JJEAHN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(/C=C/c2ccccc2)CC1 ZINC000049672416 569849922 /nfs/dbraw/zinc/84/99/22/569849922.db2.gz KZKNAHFUQUKMNA-KVACCUTFSA-N 0 3 489.579 4.773 50 30 JJEAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000137676982 569865139 /nfs/dbraw/zinc/86/51/39/569865139.db2.gz RGHRGTBKBUTSJT-RBZQAINGSA-N 0 3 469.566 4.858 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@H]1c1ccccc1 ZINC000245238056 570057327 /nfs/dbraw/zinc/05/73/27/570057327.db2.gz DWFDEZFISNNQOH-VXNXHJTFSA-N 0 3 469.566 4.858 50 30 JJEAHN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000245281427 570062328 /nfs/dbraw/zinc/06/23/28/570062328.db2.gz ZEQJYFRUYXYQIP-WIOPSUGQSA-N 0 3 470.679 4.846 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009186739 124044489 /nfs/dbraw/zinc/04/44/89/124044489.db2.gz FUSDOGNPHLLHKY-AYWGPLOBSA-N 0 3 486.996 4.511 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009186739 124044494 /nfs/dbraw/zinc/04/44/94/124044494.db2.gz FUSDOGNPHLLHKY-AYWGPLOBSA-N 0 3 486.996 4.511 50 30 JJEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@@H](O)COc4cccc5ccccc54)[C@H]3C[C@H]12 ZINC000012661803 195081334 /nfs/dbraw/zinc/08/13/34/195081334.db2.gz AYWGUJVWIMXXNN-BHVMCYSWSA-N 0 3 463.618 4.826 50 30 biogenic JJEAHN CN1CCc2nc(SCC(=O)Nc3nc4ccccc4s3)c(C#N)c(-c3ccccc3)c2C1 ZINC000020813975 195228880 /nfs/dbraw/zinc/22/88/80/195228880.db2.gz IRJLLTVOXRQAHR-UHFFFAOYSA-N 0 3 471.611 4.949 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1 ZINC000102496095 130150136 /nfs/dbraw/zinc/15/01/36/130150136.db2.gz LWNUQXNZJDRDSG-MRJHHRETSA-N 0 3 483.362 4.569 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)cc1C ZINC000102502092 130155944 /nfs/dbraw/zinc/15/59/44/130155944.db2.gz LHANDJCABWBEHV-MOBKVPTQSA-N 0 3 456.608 4.609 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102505427 130159705 /nfs/dbraw/zinc/15/97/05/130159705.db2.gz VIURUCDQQGEMHQ-SBXHHDGASA-N 0 3 468.569 4.686 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102541517 130197352 /nfs/dbraw/zinc/19/73/52/130197352.db2.gz UIYWJSHQHUTNCS-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccncc1 ZINC000102703471 130249041 /nfs/dbraw/zinc/24/90/41/130249041.db2.gz BPKZTSXFYURBBF-ONQGDUAMSA-N 0 3 499.611 4.733 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccnc1 ZINC000102706880 130252972 /nfs/dbraw/zinc/25/29/72/130252972.db2.gz LPOHYGWUMYXIDK-UUALVTFQSA-N 0 3 499.611 4.733 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C ZINC000102710052 130256246 /nfs/dbraw/zinc/25/62/46/130256246.db2.gz RLQWZDUTZXWWER-AYWGPLOBSA-N 0 3 470.997 4.809 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102857676 130327182 /nfs/dbraw/zinc/32/71/82/130327182.db2.gz RROVNPCCQZUODK-MOBKVPTQSA-N 0 3 456.970 4.501 50 30 JJEAHN C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C ZINC000036309542 518712641 /nfs/dbraw/zinc/71/26/41/518712641.db2.gz DRYQRDKAMSGNRH-QPPBQGQZSA-N 0 3 456.652 4.599 50 30 JJEAHN C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309147 518712927 /nfs/dbraw/zinc/71/29/27/518712927.db2.gz FFLUEWPFTMCFEA-QPPBQGQZSA-N 0 3 456.652 4.600 50 30 JJEAHN C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307212 518984005 /nfs/dbraw/zinc/98/40/05/518984005.db2.gz YKDXZRLKCJDBKR-QFIPXVFZSA-N 0 3 453.558 4.794 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306890 518986548 /nfs/dbraw/zinc/98/65/48/518986548.db2.gz IYOSBZJJOUEPTK-QFIPXVFZSA-N 0 3 465.569 4.794 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036305660 518987333 /nfs/dbraw/zinc/98/73/33/518987333.db2.gz FAONWJNMXDKQCX-QHCPKHFHSA-N 0 3 477.605 4.664 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306601 518993440 /nfs/dbraw/zinc/99/34/40/518993440.db2.gz DFSULHNOKAUZHV-XMMPIXPASA-N 0 3 461.606 4.963 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000016735704 519059713 /nfs/dbraw/zinc/05/97/13/519059713.db2.gz KUDWEVNDOPYNRH-AREMUKBSSA-N 0 3 492.616 4.960 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000016735704 519059719 /nfs/dbraw/zinc/05/97/19/519059719.db2.gz KUDWEVNDOPYNRH-AREMUKBSSA-N 0 3 492.616 4.960 50 30 JJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020444183 520258150 /nfs/dbraw/zinc/25/81/50/520258150.db2.gz KFRJCXCZJYNPMZ-SIBVEZHUSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009329054 520258720 /nfs/dbraw/zinc/25/87/20/520258720.db2.gz HYNKXEUWXFFNCU-ONLXDWTESA-N 0 3 492.616 4.562 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000022275876 520329371 /nfs/dbraw/zinc/32/93/71/520329371.db2.gz GQGXFVBCPGPDBK-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000022275876 520329375 /nfs/dbraw/zinc/32/93/75/520329375.db2.gz GQGXFVBCPGPDBK-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccs1 ZINC000009360300 520651866 /nfs/dbraw/zinc/65/18/66/520651866.db2.gz DFHSXNBEGWPJQN-MOBKVPTQSA-N 0 3 456.608 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009302134 520653618 /nfs/dbraw/zinc/65/36/18/520653618.db2.gz OMTDHDRSTNVAAN-MRJHHRETSA-N 0 3 469.651 4.821 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009334023 520842317 /nfs/dbraw/zinc/84/23/17/520842317.db2.gz QLEOQZUPNUGAEB-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009334023 520842328 /nfs/dbraw/zinc/84/23/28/520842328.db2.gz QLEOQZUPNUGAEB-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009333880 520843677 /nfs/dbraw/zinc/84/36/77/520843677.db2.gz FAPQFYOYRNIYRD-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009333880 520843683 /nfs/dbraw/zinc/84/36/83/520843683.db2.gz FAPQFYOYRNIYRD-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000016733419 520875041 /nfs/dbraw/zinc/87/50/41/520875041.db2.gz KWXJNMHTVGJUDA-JOCHJYFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000016733419 520875048 /nfs/dbraw/zinc/87/50/48/520875048.db2.gz KWXJNMHTVGJUDA-JOCHJYFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009275608 521234017 /nfs/dbraw/zinc/23/40/17/521234017.db2.gz OCXRPRYTEYRFAB-SBXHHDGASA-N 0 3 492.572 4.604 50 30 JJEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020533540 524033465 /nfs/dbraw/zinc/03/34/65/524033465.db2.gz VURXWRXSKLJZQE-XMMPIXPASA-N 0 3 450.579 4.566 50 30 JJEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009361129 524052149 /nfs/dbraw/zinc/05/21/49/524052149.db2.gz JUPNVIWQWJEGIX-IUKMQXEJSA-N 0 3 464.606 4.657 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000020391184 524054879 /nfs/dbraw/zinc/05/48/79/524054879.db2.gz VZAIZYYHPVRWKM-AREMUKBSSA-N 0 3 488.559 4.935 50 30 JJEAHN COc1ccc(OCc2nnc(SCC(=O)C(C#N)c3nc(C)cs3)n2-c2ccccc2)cc1 ZINC000009464902 524978264 /nfs/dbraw/zinc/97/82/64/524978264.db2.gz NAJXGXCVGLAEKP-HXUWFJFHSA-N 0 3 491.598 4.588 50 30 JJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000009275702 525553405 /nfs/dbraw/zinc/55/34/05/525553405.db2.gz WFUYDOOUYCYNIP-AREMUKBSSA-N 0 3 486.616 4.834 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102502168 535284354 /nfs/dbraw/zinc/28/43/54/535284354.db2.gz ODNXHUABOKUXLZ-NXLSWJSLSA-N 0 3 450.579 4.547 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102502168 535284359 /nfs/dbraw/zinc/28/43/59/535284359.db2.gz ODNXHUABOKUXLZ-NXLSWJSLSA-N 0 3 450.579 4.547 50 30 JJEAHN COc1cccc(CSC2=NC(c3ccc4c(c3)OCO4)C3=C(N2)c2ccccc2C3=O)c1 ZINC000001384533 553965913 /nfs/dbraw/zinc/96/59/13/553965913.db2.gz BBZATUWEOLBCSC-HSZRJFAPSA-N 0 3 456.523 4.965 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009007964 554861882 /nfs/dbraw/zinc/86/18/82/554861882.db2.gz UBQKXWBDNZZFKE-XMMPIXPASA-N 0 3 450.579 4.739 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000013596098 555529076 /nfs/dbraw/zinc/52/90/76/555529076.db2.gz DJNVOLHBJXCJKT-VWLOTQADSA-N 0 3 464.606 4.868 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000019938864 555557229 /nfs/dbraw/zinc/55/72/29/555557229.db2.gz HFENBBNLUQXAEM-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccncc1 ZINC000020130458 555655820 /nfs/dbraw/zinc/65/58/20/555655820.db2.gz QPSIDQIBUZUDCN-MHZLTWQESA-N 0 3 499.611 4.889 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020190186 555691441 /nfs/dbraw/zinc/69/14/41/555691441.db2.gz JCSJDBMSAQHNAC-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020190186 555691443 /nfs/dbraw/zinc/69/14/43/555691443.db2.gz JCSJDBMSAQHNAC-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020193043 555693905 /nfs/dbraw/zinc/69/39/05/555693905.db2.gz XXPNQIIFLIZSPB-DEOSSOPVSA-N 0 3 460.530 4.528 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219535 555714771 /nfs/dbraw/zinc/71/47/71/555714771.db2.gz KPMHUXVLCIEREN-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219535 555714773 /nfs/dbraw/zinc/71/47/73/555714773.db2.gz KPMHUXVLCIEREN-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020231681 555721666 /nfs/dbraw/zinc/72/16/66/555721666.db2.gz GREQBJSVISQCNC-DEOSSOPVSA-N 0 3 450.579 4.702 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020231681 555721667 /nfs/dbraw/zinc/72/16/67/555721667.db2.gz GREQBJSVISQCNC-DEOSSOPVSA-N 0 3 450.579 4.702 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020233517 555724550 /nfs/dbraw/zinc/72/45/50/555724550.db2.gz CBPHYXUSMDJRCQ-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020233517 555724551 /nfs/dbraw/zinc/72/45/51/555724551.db2.gz CBPHYXUSMDJRCQ-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020266915 555748381 /nfs/dbraw/zinc/74/83/81/555748381.db2.gz RGHKQKGMZCKCEH-AFMDSPMNSA-N 0 3 492.616 4.719 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020280644 555751477 /nfs/dbraw/zinc/75/14/77/555751477.db2.gz QZJQIFAXCQPRAN-XMMPIXPASA-N 0 3 484.568 4.543 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)c(C)c1 ZINC000024081148 556119830 /nfs/dbraw/zinc/11/98/30/556119830.db2.gz KLOZKTBPZIZFGG-DEOSSOPVSA-N 0 3 466.553 4.619 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081059 556119893 /nfs/dbraw/zinc/11/98/93/556119893.db2.gz WLIWZDDBLQTPCA-XMMPIXPASA-N 0 3 450.579 4.657 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024116143 556122424 /nfs/dbraw/zinc/12/24/24/556122424.db2.gz XQIKAFQWUBITAG-SANMLTNESA-N 0 3 491.632 4.546 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024116143 556122428 /nfs/dbraw/zinc/12/24/28/556122428.db2.gz XQIKAFQWUBITAG-SANMLTNESA-N 0 3 491.632 4.546 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)ccc1OCC(C)C ZINC000016713870 556154905 /nfs/dbraw/zinc/15/49/05/556154905.db2.gz QUQFZTQMDSHSJK-XMMPIXPASA-N 0 3 468.569 4.699 50 30 JJEAHN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751269 556157456 /nfs/dbraw/zinc/15/74/56/556157456.db2.gz GVHABLLXNGGFCC-PPHZAIPVSA-N 0 3 498.579 4.942 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000019830628 556397646 /nfs/dbraw/zinc/39/76/46/556397646.db2.gz JSRYKILQIBYIRP-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000032776960 556492342 /nfs/dbraw/zinc/49/23/42/556492342.db2.gz LDLLODDEYSIMOR-UHFFFAOYSA-N 0 3 487.979 4.896 50 30 JJEAHN Cc1nc2c3ccccc3nc(SCC(=O)C(C#N)c3nc(-c4ccccc4)cs3)n2n1 ZINC000032777270 556492453 /nfs/dbraw/zinc/49/24/53/556492453.db2.gz ALHUGWIWSSTOFZ-KRWDZBQOSA-N 0 3 456.556 4.678 50 30 JJEAHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000061899894 569609191 /nfs/dbraw/zinc/60/91/91/569609191.db2.gz CEHUSIMJNCJASZ-VWLOTQADSA-N 0 3 490.611 4.815 50 30 JJEAHN COC(=O)C(C#N)Cc1c(Sc2ccccc2)c2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000096602380 569742575 /nfs/dbraw/zinc/74/25/75/569742575.db2.gz CCLRYGIJQZIEER-SFHVURJKSA-N 0 3 476.579 4.885 50 30 JJEAHN COC(=O)C(C#N)Cc1c(Sc2ccccc2)c2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000096602381 569742662 /nfs/dbraw/zinc/74/26/62/569742662.db2.gz CCLRYGIJQZIEER-GOSISDBHSA-N 0 3 476.579 4.885 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316289 569762506 /nfs/dbraw/zinc/76/25/06/569762506.db2.gz RQMSSRYXCQMBLU-LADGPHEKSA-N 0 3 461.606 4.838 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316461 569763096 /nfs/dbraw/zinc/76/30/96/569763096.db2.gz PWCYFNYBZFIAAD-HSZRJFAPSA-N 0 3 479.596 4.835 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345976 569768576 /nfs/dbraw/zinc/76/85/76/569768576.db2.gz YULSOLMYEJCQNV-HSZRJFAPSA-N 0 3 465.569 4.581 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346233 569769174 /nfs/dbraw/zinc/76/91/74/569769174.db2.gz HDJKWMXUXOCHHH-DEOSSOPVSA-N 0 3 465.569 4.581 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346190 569769350 /nfs/dbraw/zinc/76/93/50/569769350.db2.gz YCCMLHVSHHGWLB-DHLKQENFSA-N 0 3 461.606 4.893 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102859640 569824838 /nfs/dbraw/zinc/82/48/38/569824838.db2.gz MTGOSQBZTJWMJQ-NPJIAGGLSA-N 0 3 480.605 4.638 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102859640 569824839 /nfs/dbraw/zinc/82/48/39/569824839.db2.gz MTGOSQBZTJWMJQ-NPJIAGGLSA-N 0 3 480.605 4.638 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102928736 569827288 /nfs/dbraw/zinc/82/72/88/569827288.db2.gz YBVKMFNNZSUTRT-JBCNATCCSA-N 0 3 477.388 4.684 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102930495 569828115 /nfs/dbraw/zinc/82/81/15/569828115.db2.gz GTWMKWGQRAZKMY-NXLSWJSLSA-N 0 3 462.546 4.595 50 30 JJEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2C)cc1 ZINC000238950799 570048360 /nfs/dbraw/zinc/04/83/60/570048360.db2.gz ZPEIYUMLGKDPBB-SDHSZQHLSA-N 0 3 499.592 4.867 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)nc1C ZINC000002703953 194164235 /nfs/dbraw/zinc/16/42/35/194164235.db2.gz JMHBZMMWJZBBMU-KRWDZBQOSA-N 0 3 464.524 4.712 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000012614908 195054664 /nfs/dbraw/zinc/05/46/64/195054664.db2.gz SOPTUWBRFUVANA-LJQANCHMSA-N 0 3 451.325 4.663 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)cc1C ZINC000102502098 130155906 /nfs/dbraw/zinc/15/59/06/130155906.db2.gz LHANDJCABWBEHV-HOGKFDNTSA-N 0 3 456.608 4.609 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)C)cc1 ZINC000102522591 130174920 /nfs/dbraw/zinc/17/49/20/130174920.db2.gz SIGNWCLYCQVWLN-JBCNATCCSA-N 0 3 455.624 4.647 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000102734862 130279364 /nfs/dbraw/zinc/27/93/64/130279364.db2.gz CMJVSXOALHJJDR-IUKMQXEJSA-N 0 3 480.605 4.554 50 30 JJEAHN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c12 ZINC000009410132 518611022 /nfs/dbraw/zinc/61/10/22/518611022.db2.gz FUWDSOAMBDOVEK-UHFFFAOYSA-N 0 3 474.601 4.688 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2F)nc1C ZINC000003643605 518978382 /nfs/dbraw/zinc/97/83/82/518978382.db2.gz VSJGVDSTVJTWAZ-LJQANCHMSA-N 0 3 476.485 4.790 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306785 518987083 /nfs/dbraw/zinc/98/70/83/518987083.db2.gz WZAXNWUDWWHSCD-NRFANRHFSA-N 0 3 453.558 4.792 50 30 JJEAHN C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016741940 519050357 /nfs/dbraw/zinc/05/03/57/519050357.db2.gz YLYPIZDQTOTDAF-SANMLTNESA-N 0 3 490.600 4.870 50 30 JJEAHN C=C[C@@](C)(O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036310293 519298396 /nfs/dbraw/zinc/29/83/96/519298396.db2.gz PBEBVHTWVVKQFJ-WNCULLNHSA-N 0 3 468.663 4.519 50 30 JJEAHN C=C[C@@](C)(O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036310301 519298846 /nfs/dbraw/zinc/29/88/46/519298846.db2.gz VIZBSGBYERJYNW-RPLLCQBOSA-N 0 3 470.679 4.846 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000009089447 519778570 /nfs/dbraw/zinc/77/85/70/519778570.db2.gz XXKPOICUAPDULM-QFIPXVFZSA-N 0 3 474.960 4.796 50 30 JJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020444194 520257785 /nfs/dbraw/zinc/25/77/85/520257785.db2.gz KFRJCXCZJYNPMZ-BCHFMIIMSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020265480 520423169 /nfs/dbraw/zinc/42/31/69/520423169.db2.gz YGYVFJQPYURQEB-XMMPIXPASA-N 0 3 484.568 4.543 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009334185 520464317 /nfs/dbraw/zinc/46/43/17/520464317.db2.gz BXNJAYFBHRMSPD-SBXHHDGASA-N 0 3 450.579 4.547 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009334185 520464332 /nfs/dbraw/zinc/46/43/32/520464332.db2.gz BXNJAYFBHRMSPD-SBXHHDGASA-N 0 3 450.579 4.547 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1 ZINC000020395027 520660399 /nfs/dbraw/zinc/66/03/99/520660399.db2.gz RHRHUSPQKALZDX-AREMUKBSSA-N 0 3 485.584 4.581 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009123392 520843387 /nfs/dbraw/zinc/84/33/87/520843387.db2.gz UWFBHUKTAQTTOL-IUKMQXEJSA-N 0 3 464.606 4.972 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009123392 520843394 /nfs/dbraw/zinc/84/33/94/520843394.db2.gz UWFBHUKTAQTTOL-IUKMQXEJSA-N 0 3 464.606 4.972 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000021486976 520873532 /nfs/dbraw/zinc/87/35/32/520873532.db2.gz PWYWKWXAPXVGAB-QFIPXVFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000009008565 521579978 /nfs/dbraw/zinc/57/99/78/521579978.db2.gz PNZLZZJDOVMCJM-CJJGVWJISA-N 0 3 494.632 4.802 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCN(CC)CC ZINC000009359554 521590581 /nfs/dbraw/zinc/59/05/81/521590581.db2.gz RGPIPJYVBKSFSQ-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009361125 524033443 /nfs/dbraw/zinc/03/34/43/524033443.db2.gz JUPNVIWQWJEGIX-NPJIAGGLSA-N 0 3 464.606 4.657 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000009328906 524053965 /nfs/dbraw/zinc/05/39/65/524053965.db2.gz GHMTURSMRXSRMZ-CJJGVWJISA-N 0 3 470.569 4.639 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016212948 524055731 /nfs/dbraw/zinc/05/57/31/524055731.db2.gz GMGWGYOFQYCLGN-DEOSSOPVSA-N 0 3 476.598 4.857 50 30 JJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cc1 ZINC000009354288 525173583 /nfs/dbraw/zinc/17/35/83/525173583.db2.gz JTORLWVMONVVHK-VWLOTQADSA-N 0 3 474.557 4.697 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102556759 534968195 /nfs/dbraw/zinc/96/81/95/534968195.db2.gz PQDHXZXQVQLYCO-NXLSWJSLSA-N 0 3 464.606 4.755 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1 ZINC000008838001 554739356 /nfs/dbraw/zinc/73/93/56/554739356.db2.gz LWNUQXNZJDRDSG-JBCNATCCSA-N 0 3 483.362 4.569 50 30 JJEAHN COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1 ZINC000008918137 554814189 /nfs/dbraw/zinc/81/41/89/554814189.db2.gz ZBOSXLVPZSYSOY-UZWNBTEPSA-N 0 3 465.590 4.817 50 30 biogenic JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008987071 554849755 /nfs/dbraw/zinc/84/97/55/554849755.db2.gz ODUUEJQNVKJFTN-IUKMQXEJSA-N 0 3 480.605 4.634 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007569 554860567 /nfs/dbraw/zinc/86/05/67/554860567.db2.gz CWNGFWBRAHCGPT-ZHHPLPSFSA-N 0 3 452.570 4.887 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007569 554860569 /nfs/dbraw/zinc/86/05/69/554860569.db2.gz CWNGFWBRAHCGPT-ZHHPLPSFSA-N 0 3 452.570 4.887 50 30 JJEAHN CN1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c(C#N)c(-c3ccsc3)c2C1 ZINC000019852700 555511913 /nfs/dbraw/zinc/51/19/13/555511913.db2.gz XNQQEFOUAKETTC-UHFFFAOYSA-N 0 3 491.667 4.822 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000019938866 555557268 /nfs/dbraw/zinc/55/72/68/555557268.db2.gz HFENBBNLUQXAEM-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000020129856 555655509 /nfs/dbraw/zinc/65/55/09/555655509.db2.gz VHTKJIGJHIXVIV-JOCHJYFZSA-N 0 3 456.970 4.577 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219450 555714318 /nfs/dbraw/zinc/71/43/18/555714318.db2.gz IWHIWQYAIIEKID-RUZDIDTESA-N 0 3 478.589 4.569 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020230802 555721117 /nfs/dbraw/zinc/72/11/17/555721117.db2.gz IYLCMLUWGWYPNE-RUZDIDTESA-N 0 3 462.590 4.905 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000020263425 555745907 /nfs/dbraw/zinc/74/59/07/555745907.db2.gz GUVDXRHLTQTBMA-JOCHJYFZSA-N 0 3 456.970 4.612 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020265477 555747743 /nfs/dbraw/zinc/74/77/43/555747743.db2.gz YGYVFJQPYURQEB-DEOSSOPVSA-N 0 3 484.568 4.543 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020280640 555751513 /nfs/dbraw/zinc/75/15/13/555751513.db2.gz QZJQIFAXCQPRAN-DEOSSOPVSA-N 0 3 484.568 4.543 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081062 556119778 /nfs/dbraw/zinc/11/97/78/556119778.db2.gz WLIWZDDBLQTPCA-DEOSSOPVSA-N 0 3 450.579 4.657 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024081232 556120337 /nfs/dbraw/zinc/12/03/37/556120337.db2.gz UPAOTSBZQJPFHJ-AREMUKBSSA-N 0 3 493.648 4.770 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024081232 556120341 /nfs/dbraw/zinc/12/03/41/556120341.db2.gz UPAOTSBZQJPFHJ-AREMUKBSSA-N 0 3 493.648 4.770 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1C ZINC000024115939 556122211 /nfs/dbraw/zinc/12/22/11/556122211.db2.gz BOVVQBPGHRAMGX-XMMPIXPASA-N 0 3 466.553 4.619 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1C ZINC000024115939 556122213 /nfs/dbraw/zinc/12/22/13/556122213.db2.gz BOVVQBPGHRAMGX-XMMPIXPASA-N 0 3 466.553 4.619 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024334123 556129630 /nfs/dbraw/zinc/12/96/30/556129630.db2.gz HGVJRBWHIHRALK-AREMUKBSSA-N 0 3 491.632 4.546 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024334123 556129635 /nfs/dbraw/zinc/12/96/35/556129635.db2.gz HGVJRBWHIHRALK-AREMUKBSSA-N 0 3 491.632 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1C1=CC=C(C(C)(C)C)CC1 ZINC000016750481 556156778 /nfs/dbraw/zinc/15/67/78/556156778.db2.gz OHJBDEMSERZSQD-VWLOTQADSA-N 0 3 494.632 4.698 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035005914 569673760 /nfs/dbraw/zinc/67/37/60/569673760.db2.gz SZAPVKWAOCUKFO-VWLOTQADSA-N 0 3 492.616 4.675 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000036316241 569762380 /nfs/dbraw/zinc/76/23/80/569762380.db2.gz LJCUSVJNKSCJTQ-XMMPIXPASA-N 0 3 461.606 4.696 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287217 569789372 /nfs/dbraw/zinc/78/93/72/569789372.db2.gz BQJBAUBRSVMTMS-SBXHHDGASA-N 0 3 462.590 4.532 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000102175303 569810686 /nfs/dbraw/zinc/81/06/86/569810686.db2.gz ZDJXQCCRZACXEA-NXLSWJSLSA-N 0 3 468.569 4.542 50 30 JJEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102859432 569824810 /nfs/dbraw/zinc/82/48/10/569824810.db2.gz PVBDVYLRCKASQR-CZNAVJSXSA-N 0 3 478.633 4.966 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C)cc1 ZINC000102861608 569824903 /nfs/dbraw/zinc/82/49/03/569824903.db2.gz YHLXTRDNBINBFY-ZHHPLPSFSA-N 0 3 462.546 4.513 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102861243 569825031 /nfs/dbraw/zinc/82/50/31/569825031.db2.gz OFTUGGBHYSKBQZ-SBXHHDGASA-N 0 3 464.606 4.756 50 30 JJEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102930715 569827957 /nfs/dbraw/zinc/82/79/57/569827957.db2.gz WGGWHZJWHDDERD-CJJGVWJISA-N 0 3 478.633 4.966 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccncc1 ZINC000102931779 569828651 /nfs/dbraw/zinc/82/86/51/569828651.db2.gz VFXDFKQTJSTLEM-ONQGDUAMSA-N 0 3 499.611 4.733 50 30 JJEAHN C=C[C@](C)(O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000105004417 569849735 /nfs/dbraw/zinc/84/97/35/569849735.db2.gz VIZBSGBYERJYNW-IGKIAQTJSA-N 0 3 470.679 4.846 50 30 JJEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(/C=C/c2ccccc2)CC1 ZINC000049625225 569849760 /nfs/dbraw/zinc/84/97/60/569849760.db2.gz XXZOOEAHOHAGRX-QDEBQFNMSA-N 0 3 481.600 4.906 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105006877 569849842 /nfs/dbraw/zinc/84/98/42/569849842.db2.gz RQMSSRYXCQMBLU-VWNXMTODSA-N 0 3 461.606 4.838 50 30 JJEAHN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(/C=C/c2ccccc2)CC1 ZINC000049672415 569849962 /nfs/dbraw/zinc/84/99/62/569849962.db2.gz KZKNAHFUQUKMNA-DACFSCGWSA-N 0 3 489.579 4.773 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009240883 124057390 /nfs/dbraw/zinc/05/73/90/124057390.db2.gz ZAYLMFRJGUCFOO-AYWGPLOBSA-N 0 3 486.996 4.511 50 30 JJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1 ZINC000102491540 130145786 /nfs/dbraw/zinc/14/57/86/130145786.db2.gz WDMVKXMUGIFKMV-ONQGDUAMSA-N 0 3 484.596 4.947 50 30 JJEAHN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102506174 130160518 /nfs/dbraw/zinc/16/05/18/130160518.db2.gz CNHDSVWQPPIAJS-ONDFOOFZSA-N 0 3 462.590 4.507 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000102533798 130187924 /nfs/dbraw/zinc/18/79/24/130187924.db2.gz HIQRPYXSTZNQMZ-NXLSWJSLSA-N 0 3 450.579 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000102533798 130187927 /nfs/dbraw/zinc/18/79/27/130187927.db2.gz HIQRPYXSTZNQMZ-NXLSWJSLSA-N 0 3 450.579 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccco1 ZINC000102698146 130244554 /nfs/dbraw/zinc/24/45/54/130244554.db2.gz PYUPTWAUIMEMHJ-CZNAVJSXSA-N 0 3 488.584 4.931 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1OC(C)C ZINC000102710054 130256376 /nfs/dbraw/zinc/25/63/76/130256376.db2.gz RLQWZDUTZXWWER-ZHHPLPSFSA-N 0 3 470.997 4.809 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccco3)cc2)c1 ZINC000102714795 130260799 /nfs/dbraw/zinc/26/07/99/130260799.db2.gz QWLQAUCUIKAPLB-IUKMQXEJSA-N 0 3 474.557 4.540 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3)cc2)c1 ZINC000102890216 130371713 /nfs/dbraw/zinc/37/17/13/130371713.db2.gz BWZUWHNZXDGMPM-CZNAVJSXSA-N 0 3 470.569 4.557 50 30 JJEAHN CC(=O)c1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CN(C)CC3)cc1 ZINC000019889350 518362501 /nfs/dbraw/zinc/36/25/01/518362501.db2.gz KWUFBAPVKNUCKK-UHFFFAOYSA-N 0 3 456.571 4.542 50 30 JJEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)COc4cccc5ccccc54)[C@H]3C[C@@H]12 ZINC000009034008 518661623 /nfs/dbraw/zinc/66/16/23/518661623.db2.gz AYWGUJVWIMXXNN-VUXWGUROSA-N 0 3 463.618 4.826 50 30 biogenic JJEAHN C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309407 518714282 /nfs/dbraw/zinc/71/42/82/518714282.db2.gz YOJQSMOGKGNHNX-VWNXMTODSA-N 0 3 470.679 4.909 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C ZINC000003643615 518979662 /nfs/dbraw/zinc/97/96/62/518979662.db2.gz JZMJGUAOLAUBJX-SFHVURJKSA-N 0 3 462.483 4.552 50 30 JJEAHN C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F ZINC000036316154 518985046 /nfs/dbraw/zinc/98/50/46/518985046.db2.gz APNWOITZZAAVNX-NRFANRHFSA-N 0 3 471.548 4.933 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306597 518985765 /nfs/dbraw/zinc/98/57/65/518985765.db2.gz DFSULHNOKAUZHV-DEOSSOPVSA-N 0 3 461.606 4.963 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306128 518993251 /nfs/dbraw/zinc/99/32/51/518993251.db2.gz LWLIUVKBIKSIAZ-JOCHJYFZSA-N 0 3 465.594 4.662 50 30 JJEAHN C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(C/C=C/c1ccc(OC)cc1)CC2 ZINC000012041168 518999705 /nfs/dbraw/zinc/99/97/05/518999705.db2.gz KVJROKZCARRSRW-CZOWNVBASA-N 0 3 492.685 4.847 50 30 JJEAHN C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016741941 519045701 /nfs/dbraw/zinc/04/57/01/519045701.db2.gz YLYPIZDQTOTDAF-AREMUKBSSA-N 0 3 490.600 4.870 50 30 JJEAHN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009353762 519839448 /nfs/dbraw/zinc/83/94/48/519839448.db2.gz UQEVKFHPVRNJIT-AVRWGWEMSA-N 0 3 462.590 4.663 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009042472 520326568 /nfs/dbraw/zinc/32/65/68/520326568.db2.gz IBMSTBDXBBZRKO-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731459 520420919 /nfs/dbraw/zinc/42/09/19/520420919.db2.gz CKWRYAYGFOXOCP-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731459 520420928 /nfs/dbraw/zinc/42/09/28/520420928.db2.gz CKWRYAYGFOXOCP-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731456 520432364 /nfs/dbraw/zinc/43/23/64/520432364.db2.gz CKWRYAYGFOXOCP-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731456 520432372 /nfs/dbraw/zinc/43/23/72/520432372.db2.gz CKWRYAYGFOXOCP-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(Cl)c1 ZINC000009271707 520648101 /nfs/dbraw/zinc/64/81/01/520648101.db2.gz JEIBZEBDQQUZHY-MOBKVPTQSA-N 0 3 482.964 4.858 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F ZINC000019771770 520656447 /nfs/dbraw/zinc/65/64/47/520656447.db2.gz GSZSJTXIOUOUJR-FQEVSTJZSA-N 0 3 475.358 4.508 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccncc1 ZINC000020461456 520660878 /nfs/dbraw/zinc/66/08/78/520660878.db2.gz ODHNUHXFMDSQNM-SANMLTNESA-N 0 3 485.584 4.581 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000020328316 520660928 /nfs/dbraw/zinc/66/09/28/520660928.db2.gz CWOCDNFWLNUQKR-VWLOTQADSA-N 0 3 478.589 4.501 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009042976 520842480 /nfs/dbraw/zinc/84/24/80/520842480.db2.gz UWFBHUKTAQTTOL-NPJIAGGLSA-N 0 3 464.606 4.972 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009042976 520842485 /nfs/dbraw/zinc/84/24/85/520842485.db2.gz UWFBHUKTAQTTOL-NPJIAGGLSA-N 0 3 464.606 4.972 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000009042522 520857561 /nfs/dbraw/zinc/85/75/61/520857561.db2.gz KGDVKOLBBMPZOD-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009184946 520874060 /nfs/dbraw/zinc/87/40/60/520874060.db2.gz MYKQZKZJQYAFCE-NRFANRHFSA-N 0 3 477.388 4.922 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)cc1Cl ZINC000016733424 520876838 /nfs/dbraw/zinc/87/68/38/520876838.db2.gz ATWODBWNEFZUFZ-JOCHJYFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020329315 520909442 /nfs/dbraw/zinc/90/94/42/520909442.db2.gz YECJJZUPNYCYSZ-AFMDSPMNSA-N 0 3 492.616 4.719 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000009275715 521234416 /nfs/dbraw/zinc/23/44/16/521234416.db2.gz FXLAVGZZDAYOPP-ZHHPLPSFSA-N 0 3 486.996 4.511 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020392075 521239228 /nfs/dbraw/zinc/23/92/28/521239228.db2.gz UDOGSZQMMZUNER-RUZDIDTESA-N 0 3 480.605 4.650 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000009179093 523550771 /nfs/dbraw/zinc/55/07/71/523550771.db2.gz MKJAUTNVGDBYTG-OAQYLSRUSA-N 0 3 477.388 4.840 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009240403 525979736 /nfs/dbraw/zinc/97/97/36/525979736.db2.gz WEZNZSMYARAHCW-IUKMQXEJSA-N 0 3 464.606 4.712 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102500078 536561936 /nfs/dbraw/zinc/56/19/36/536561936.db2.gz BWTQOGWBVFZPGI-SBXHHDGASA-N 0 3 464.606 4.675 50 30 JJEAHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000002320463 554147364 /nfs/dbraw/zinc/14/73/64/554147364.db2.gz MSPIXVCUKHJRFX-DEOSSOPVSA-N 0 3 494.574 4.958 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000008817859 554700863 /nfs/dbraw/zinc/70/08/63/554700863.db2.gz JAHUTPFOPLOQBB-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008817940 554701137 /nfs/dbraw/zinc/70/11/37/554701137.db2.gz NHJVEHXRLYFETI-JOCHJYFZSA-N 0 3 456.970 4.657 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008817939 554701183 /nfs/dbraw/zinc/70/11/83/554701183.db2.gz NHJVEHXRLYFETI-QFIPXVFZSA-N 0 3 456.970 4.657 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008987698 554850132 /nfs/dbraw/zinc/85/01/32/554850132.db2.gz MBMZDHXLGXVAOS-XMMPIXPASA-N 0 3 495.576 4.612 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000008987768 554850416 /nfs/dbraw/zinc/85/04/16/554850416.db2.gz YFHFFHJYVJSEQM-JOCHJYFZSA-N 0 3 456.970 4.577 50 30 JJEAHN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2C)=C(O)C(=O)N1CCCN(C)C ZINC000013427549 555400674 /nfs/dbraw/zinc/40/06/74/555400674.db2.gz BEVFJBDFHNFZCG-RUZDIDTESA-N 0 3 480.605 4.568 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Br)cc1 ZINC000013646663 555551102 /nfs/dbraw/zinc/55/11/02/555551102.db2.gz NCXKYARLIVZISH-NRFANRHFSA-N 0 3 483.362 4.725 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 ZINC000019938553 555556786 /nfs/dbraw/zinc/55/67/86/555556786.db2.gz OJFXOVIRYOHHAJ-HXUWFJFHSA-N 0 3 475.358 4.508 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 ZINC000019938553 555556788 /nfs/dbraw/zinc/55/67/88/555556788.db2.gz OJFXOVIRYOHHAJ-HXUWFJFHSA-N 0 3 475.358 4.508 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000020029641 555605174 /nfs/dbraw/zinc/60/51/74/555605174.db2.gz PRXAQIICBQWIJM-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020129983 555655798 /nfs/dbraw/zinc/65/57/98/555655798.db2.gz MVHZPPDUOHTZCQ-SANMLTNESA-N 0 3 494.632 4.959 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020150107 555666409 /nfs/dbraw/zinc/66/64/09/555666409.db2.gz UWRANSRQQDBGFU-XMMPIXPASA-N 0 3 462.546 4.752 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000020171979 555681153 /nfs/dbraw/zinc/68/11/53/555681153.db2.gz OFLQKZZYFRHFNI-DEOSSOPVSA-N 0 3 450.579 4.739 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000020171979 555681155 /nfs/dbraw/zinc/68/11/55/555681155.db2.gz OFLQKZZYFRHFNI-DEOSSOPVSA-N 0 3 450.579 4.739 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000020190071 555691147 /nfs/dbraw/zinc/69/11/47/555691147.db2.gz QQVUXXLAPVRDMQ-DEOSSOPVSA-N 0 3 480.605 4.531 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000020190068 555691207 /nfs/dbraw/zinc/69/12/07/555691207.db2.gz QQVUXXLAPVRDMQ-XMMPIXPASA-N 0 3 480.605 4.531 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020192488 555693346 /nfs/dbraw/zinc/69/33/46/555693346.db2.gz YVDATUOHEWCMPE-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020192488 555693347 /nfs/dbraw/zinc/69/33/47/555693347.db2.gz YVDATUOHEWCMPE-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219536 555714825 /nfs/dbraw/zinc/71/48/25/555714825.db2.gz KPMHUXVLCIEREN-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219536 555714826 /nfs/dbraw/zinc/71/48/26/555714826.db2.gz KPMHUXVLCIEREN-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020231251 555721378 /nfs/dbraw/zinc/72/13/78/555721378.db2.gz VFNZZBBCNKONJB-JOCHJYFZSA-N 0 3 456.970 4.657 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020232876 555723715 /nfs/dbraw/zinc/72/37/15/555723715.db2.gz INAFKROLGSUXPW-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020232876 555723717 /nfs/dbraw/zinc/72/37/17/555723717.db2.gz INAFKROLGSUXPW-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020265088 555747297 /nfs/dbraw/zinc/74/72/97/555747297.db2.gz IRJSYZDSSZUMHE-QHCPKHFHSA-N 0 3 454.542 4.535 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020266913 555748397 /nfs/dbraw/zinc/74/83/97/555748397.db2.gz RGHKQKGMZCKCEH-SIBVEZHUSA-N 0 3 492.616 4.719 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020280702 555751924 /nfs/dbraw/zinc/75/19/24/555751924.db2.gz KARVHSKULFOBGT-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020280702 555751927 /nfs/dbraw/zinc/75/19/27/555751927.db2.gz KARVHSKULFOBGT-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000020292156 555762021 /nfs/dbraw/zinc/76/20/21/555762021.db2.gz AVVRJFIWRYFUOX-MWTRTKDXSA-N 0 3 468.981 4.584 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000020292156 555762023 /nfs/dbraw/zinc/76/20/23/555762023.db2.gz AVVRJFIWRYFUOX-MWTRTKDXSA-N 0 3 468.981 4.584 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080742 556119073 /nfs/dbraw/zinc/11/90/73/556119073.db2.gz VIYHRPSXALZSPL-XMMPIXPASA-N 0 3 450.579 4.622 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080742 556119076 /nfs/dbraw/zinc/11/90/76/556119076.db2.gz VIYHRPSXALZSPL-XMMPIXPASA-N 0 3 450.579 4.622 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024081099 556119838 /nfs/dbraw/zinc/11/98/38/556119838.db2.gz HEGJJZUWGGVIEY-QHCPKHFHSA-N 0 3 468.981 4.743 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000024081048 556119961 /nfs/dbraw/zinc/11/99/61/556119961.db2.gz TUVXMHAYMKPIRC-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000024081048 556119965 /nfs/dbraw/zinc/11/99/65/556119965.db2.gz TUVXMHAYMKPIRC-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024081310 556120250 /nfs/dbraw/zinc/12/02/50/556120250.db2.gz PZHHYTPUMCPDCZ-AREMUKBSSA-N 0 3 493.648 4.770 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024081310 556120252 /nfs/dbraw/zinc/12/02/52/556120252.db2.gz PZHHYTPUMCPDCZ-AREMUKBSSA-N 0 3 493.648 4.770 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024303423 556128820 /nfs/dbraw/zinc/12/88/20/556128820.db2.gz YTBWOGTVGMWBFT-RUZDIDTESA-N 0 3 462.590 4.788 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024303423 556128823 /nfs/dbraw/zinc/12/88/23/556128823.db2.gz YTBWOGTVGMWBFT-RUZDIDTESA-N 0 3 462.590 4.788 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000016729487 556155156 /nfs/dbraw/zinc/15/51/56/556155156.db2.gz KAIGWOLQGPSXRT-FQEVSTJZSA-N 0 3 481.351 4.671 50 30 JJEAHN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751263 556157234 /nfs/dbraw/zinc/15/72/34/556157234.db2.gz GVHABLLXNGGFCC-UZTOHYMASA-N 0 3 498.579 4.942 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000017123663 556220180 /nfs/dbraw/zinc/22/01/80/556220180.db2.gz WARZSJQACXQIKA-DEOSSOPVSA-N 0 3 450.579 4.560 50 30 biogenic JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c(C)c1 ZINC000017138656 556224491 /nfs/dbraw/zinc/22/44/91/556224491.db2.gz WSNRDWUUCQBSGI-QFIPXVFZSA-N 0 3 456.608 4.765 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000019787591 556370032 /nfs/dbraw/zinc/37/00/32/556370032.db2.gz DFGFARFRGMTMON-VOCPSOEZSA-N 0 3 483.406 4.769 50 30 JJEAHN COc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3CCCN5CCCC[C@H]35)CO4)C2=O)cc1OC ZINC000032502304 556437468 /nfs/dbraw/zinc/43/74/68/556437468.db2.gz XZDDNTAMAUXQTH-PHHKCIELSA-N 0 3 490.600 4.736 50 30 JJEAHN Cc1cc(S[C@H](C)C(=O)NC[C@@H](c2ccccc2)N(C)C)n2c3ccccc3nc2c1C#N ZINC000032904871 556530517 /nfs/dbraw/zinc/53/05/17/556530517.db2.gz JNFRDHNLMJACCA-JPYJTQIMSA-N 0 3 457.603 4.567 50 30 JJEAHN C=C(C)COc1ccc2c(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000062001368 569610180 /nfs/dbraw/zinc/61/01/80/569610180.db2.gz LVXYQRTXHQGCQY-UHFFFAOYSA-N 0 3 474.601 4.770 50 30 biogenic JJEAHN NC1=C(c2nc(-c3ccccc3Cl)cs2)C(=O)CN1C1CCN(Cc2ccccc2)CC1 ZINC000034770002 569659034 /nfs/dbraw/zinc/65/90/34/569659034.db2.gz VGHJGUKICWUONM-UHFFFAOYSA-N 0 3 465.022 4.640 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035005912 569673677 /nfs/dbraw/zinc/67/36/77/569673677.db2.gz SZAPVKWAOCUKFO-RUZDIDTESA-N 0 3 492.616 4.675 50 30 JJEAHN COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1 ZINC000035361956 569682294 /nfs/dbraw/zinc/68/22/94/569682294.db2.gz ZBOSXLVPZSYSOY-UIJOQHLPSA-N 0 3 465.590 4.817 50 30 biogenic JJEAHN C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F ZINC000036316155 569762062 /nfs/dbraw/zinc/76/20/62/569762062.db2.gz APNWOITZZAAVNX-OAQYLSRUSA-N 0 3 471.548 4.933 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316460 569763081 /nfs/dbraw/zinc/76/30/81/569763081.db2.gz PWCYFNYBZFIAAD-QHCPKHFHSA-N 0 3 479.596 4.835 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316555 569763281 /nfs/dbraw/zinc/76/32/81/569763281.db2.gz AGWUFFNHMYXGEK-OAQYLSRUSA-N 0 3 467.997 4.754 50 30 JJEAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000100766297 569769328 /nfs/dbraw/zinc/76/93/28/569769328.db2.gz RGHRGTBKBUTSJT-SMIHKQSGSA-N 0 3 469.566 4.858 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000101293965 569789868 /nfs/dbraw/zinc/78/98/68/569789868.db2.gz MKYDGDWKVOMKQZ-ZHHPLPSFSA-N 0 3 468.981 4.668 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000101293965 569789870 /nfs/dbraw/zinc/78/98/70/569789870.db2.gz MKYDGDWKVOMKQZ-ZHHPLPSFSA-N 0 3 468.981 4.668 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000101688480 569802919 /nfs/dbraw/zinc/80/29/19/569802919.db2.gz XZNBMIFJAYRVKG-RJGXRXQPSA-N 0 3 455.539 4.550 50 30 JJEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102169830 569810514 /nfs/dbraw/zinc/81/05/14/569810514.db2.gz PETQMJYSLCAWTG-AYWGPLOBSA-N 0 3 470.997 4.748 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102857328 569824593 /nfs/dbraw/zinc/82/45/93/569824593.db2.gz JSNDXZYJFZHJPK-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@@H]1c1cccs1 ZINC000102863265 569825350 /nfs/dbraw/zinc/82/53/50/569825350.db2.gz ODKVWSKHQDRQMD-FKBYEOEOSA-N 0 3 475.595 4.920 50 30 JJEAHN C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000105002695 569849171 /nfs/dbraw/zinc/84/91/71/569849171.db2.gz YOJQSMOGKGNHNX-ISKFKSNPSA-N 0 3 470.679 4.909 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000169680348 569870554 /nfs/dbraw/zinc/87/05/54/569870554.db2.gz YCCMLHVSHHGWLB-WIOPSUGQSA-N 0 3 461.606 4.893 50 30 JJEAHN COc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc32)c1 ZINC000257354831 570153394 /nfs/dbraw/zinc/15/33/94/570153394.db2.gz AMBOYLXXROQMET-UHFFFAOYSA-N 0 3 496.011 4.537 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000102505422 130159727 /nfs/dbraw/zinc/15/97/27/130159727.db2.gz VIURUCDQQGEMHQ-NXLSWJSLSA-N 0 3 468.569 4.686 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102509189 130163411 /nfs/dbraw/zinc/16/34/11/130163411.db2.gz IXGBQIVRHGVFKZ-IUKMQXEJSA-N 0 3 480.605 4.556 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102509189 130163413 /nfs/dbraw/zinc/16/34/13/130163413.db2.gz IXGBQIVRHGVFKZ-IUKMQXEJSA-N 0 3 480.605 4.556 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000102535981 130190524 /nfs/dbraw/zinc/19/05/24/130190524.db2.gz UHDSVRGEIFPFMR-SBXHHDGASA-N 0 3 450.579 4.547 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102540133 130195244 /nfs/dbraw/zinc/19/52/44/130195244.db2.gz CHZFVEVDGQEQLP-CZNAVJSXSA-N 0 3 494.632 4.802 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 ZINC000102858775 130328913 /nfs/dbraw/zinc/32/89/13/130328913.db2.gz YESJCFMNDPJMFL-HOGKFDNTSA-N 0 3 452.938 4.850 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306124 518985780 /nfs/dbraw/zinc/98/57/80/518985780.db2.gz LWLIUVKBIKSIAZ-QFIPXVFZSA-N 0 3 465.594 4.662 50 30 JJEAHN C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307725 518992484 /nfs/dbraw/zinc/99/24/84/518992484.db2.gz LGGGIMNRVRPVTD-JOCHJYFZSA-N 0 3 453.558 4.794 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036305459 518993460 /nfs/dbraw/zinc/99/34/60/518993460.db2.gz PHHRVNUHEVQDEX-JOCHJYFZSA-N 0 3 465.594 4.662 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307809 518993679 /nfs/dbraw/zinc/99/36/79/518993679.db2.gz KEIYEAPGLCGEFK-HSZRJFAPSA-N 0 3 465.569 4.794 50 30 JJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020444199 520258103 /nfs/dbraw/zinc/25/81/03/520258103.db2.gz KFRJCXCZJYNPMZ-NIYFSFCBSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009270699 520419565 /nfs/dbraw/zinc/41/95/65/520419565.db2.gz YUPHURORJBUWMV-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009068687 520420527 /nfs/dbraw/zinc/42/05/27/520420527.db2.gz XMKDDXNWHFDSMH-NPJIAGGLSA-N 0 3 480.605 4.556 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009068687 520420537 /nfs/dbraw/zinc/42/05/37/520420537.db2.gz XMKDDXNWHFDSMH-NPJIAGGLSA-N 0 3 480.605 4.556 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009068692 520430026 /nfs/dbraw/zinc/43/00/26/520430026.db2.gz XMKDDXNWHFDSMH-IUKMQXEJSA-N 0 3 480.605 4.556 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009068692 520430032 /nfs/dbraw/zinc/43/00/32/520430032.db2.gz XMKDDXNWHFDSMH-IUKMQXEJSA-N 0 3 480.605 4.556 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009233691 520470253 /nfs/dbraw/zinc/47/02/53/520470253.db2.gz OCVOWZPIAAHTAO-IUKMQXEJSA-N 0 3 480.605 4.638 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009233691 520470255 /nfs/dbraw/zinc/47/02/55/520470255.db2.gz OCVOWZPIAAHTAO-IUKMQXEJSA-N 0 3 480.605 4.638 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccncc1 ZINC000009043279 520653276 /nfs/dbraw/zinc/65/32/76/520653276.db2.gz SGKYXHYYXDBTJK-ONQGDUAMSA-N 0 3 499.611 4.733 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000009066089 520857739 /nfs/dbraw/zinc/85/77/39/520857739.db2.gz GCWKWHBRIWDLQX-XMMPIXPASA-N 0 3 495.576 4.612 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000009070761 523370268 /nfs/dbraw/zinc/37/02/68/523370268.db2.gz OASFPMJWGDECQX-ZHHPLPSFSA-N 0 3 470.997 4.845 50 30 JJEAHN CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(CC#Cc1ccccc1)CC2 ZINC000012185864 524022737 /nfs/dbraw/zinc/02/27/37/524022737.db2.gz LJQYQXBZUSBNTN-IZLXSDGUSA-N 0 3 470.638 4.562 50 30 JJEAHN COc1ccccc1-n1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccs1 ZINC000009469809 524301508 /nfs/dbraw/zinc/30/15/08/524301508.db2.gz UEAOTZBXKINDGH-CQSZACIVSA-N 0 3 467.601 4.738 50 30 JJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000009275700 525552253 /nfs/dbraw/zinc/55/22/53/525552253.db2.gz WFUYDOOUYCYNIP-SANMLTNESA-N 0 3 486.616 4.834 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102556766 534967934 /nfs/dbraw/zinc/96/79/34/534967934.db2.gz PQDHXZXQVQLYCO-SBXHHDGASA-N 0 3 464.606 4.755 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000008838000 554739425 /nfs/dbraw/zinc/73/94/25/554739425.db2.gz WHXNDRSNVBAHCA-OAQYLSRUSA-N 0 3 477.388 4.922 50 30 JJEAHN C=C(C)COc1ccc2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1C ZINC000008877302 554772482 /nfs/dbraw/zinc/77/24/82/554772482.db2.gz VUNBGRPOSKREML-UHFFFAOYSA-N 0 3 474.601 4.688 50 30 biogenic JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000008898718 554789438 /nfs/dbraw/zinc/78/94/38/554789438.db2.gz GGWMEXIAWDIKRI-ZHHPLPSFSA-N 0 3 470.997 4.892 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000008898718 554789439 /nfs/dbraw/zinc/78/94/39/554789439.db2.gz GGWMEXIAWDIKRI-ZHHPLPSFSA-N 0 3 470.997 4.892 50 30 JJEAHN COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]32)cc1 ZINC000008918138 554814152 /nfs/dbraw/zinc/81/41/52/554814152.db2.gz ZBOSXLVPZSYSOY-DDMGVCGZSA-N 0 3 465.590 4.817 50 30 biogenic JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000013550640 555491634 /nfs/dbraw/zinc/49/16/34/555491634.db2.gz HPOPQTLXDRDOTH-DEOSSOPVSA-N 0 3 450.579 4.702 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000013550640 555491636 /nfs/dbraw/zinc/49/16/36/555491636.db2.gz HPOPQTLXDRDOTH-DEOSSOPVSA-N 0 3 450.579 4.702 50 30 JJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000019938517 555556626 /nfs/dbraw/zinc/55/66/26/555556626.db2.gz WUZHTWZKXAQKIN-QFIPXVFZSA-N 0 3 456.608 4.703 50 30 JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020057794 555621096 /nfs/dbraw/zinc/62/10/96/555621096.db2.gz YRHDHUUDRWBNGQ-XMMPIXPASA-N 0 3 450.579 4.621 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccncc1 ZINC000020130461 555655853 /nfs/dbraw/zinc/65/58/53/555655853.db2.gz QPSIDQIBUZUDCN-HHHXNRCGSA-N 0 3 499.611 4.889 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000020132448 555657027 /nfs/dbraw/zinc/65/70/27/555657027.db2.gz PBKLVHFSBDNCOJ-NRFANRHFSA-N 0 3 455.624 4.803 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(F)cc1 ZINC000020219194 555713420 /nfs/dbraw/zinc/71/34/20/555713420.db2.gz VOXWGOWWIFVVKI-JOCHJYFZSA-N 0 3 466.509 4.501 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020230029 555720708 /nfs/dbraw/zinc/72/07/08/555720708.db2.gz NFHSVLNWEJVJPY-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020230029 555720709 /nfs/dbraw/zinc/72/07/09/555720709.db2.gz NFHSVLNWEJVJPY-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000020230628 555721113 /nfs/dbraw/zinc/72/11/13/555721113.db2.gz MQOIHQIKYIRNIX-HXUWFJFHSA-N 0 3 463.361 4.532 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000020230631 555721130 /nfs/dbraw/zinc/72/11/30/555721130.db2.gz MQOIHQIKYIRNIX-FQEVSTJZSA-N 0 3 463.361 4.532 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccnc1 ZINC000020232097 555722159 /nfs/dbraw/zinc/72/21/59/555722159.db2.gz LJBSGUHKQNODNB-MHZLTWQESA-N 0 3 499.611 4.889 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000020263286 555745354 /nfs/dbraw/zinc/74/53/54/555745354.db2.gz IEWWJHAGTRRGNV-AREMUKBSSA-N 0 3 492.616 4.960 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000020263286 555745355 /nfs/dbraw/zinc/74/53/55/555745355.db2.gz IEWWJHAGTRRGNV-AREMUKBSSA-N 0 3 492.616 4.960 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000020263068 555745366 /nfs/dbraw/zinc/74/53/66/555745366.db2.gz WJYDACFEBZXQNE-NRFANRHFSA-N 0 3 493.387 4.541 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020264768 555746811 /nfs/dbraw/zinc/74/68/11/555746811.db2.gz CWEHCOURJQKMPI-HSZRJFAPSA-N 0 3 454.542 4.535 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020264768 555746814 /nfs/dbraw/zinc/74/68/14/555746814.db2.gz CWEHCOURJQKMPI-HSZRJFAPSA-N 0 3 454.542 4.535 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020264663 555746974 /nfs/dbraw/zinc/74/69/74/555746974.db2.gz XTFQPTZNAIVJNW-HSZRJFAPSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020264663 555746976 /nfs/dbraw/zinc/74/69/76/555746976.db2.gz XTFQPTZNAIVJNW-HSZRJFAPSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000020292160 555761994 /nfs/dbraw/zinc/76/19/94/555761994.db2.gz AVVRJFIWRYFUOX-WAIKUNEKSA-N 0 3 468.981 4.584 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000020292160 555761996 /nfs/dbraw/zinc/76/19/96/555761996.db2.gz AVVRJFIWRYFUOX-WAIKUNEKSA-N 0 3 468.981 4.584 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)c(C)c1 ZINC000024080922 556119485 /nfs/dbraw/zinc/11/94/85/556119485.db2.gz CXLFSXXBBAPKMK-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024146884 556123432 /nfs/dbraw/zinc/12/34/32/556123432.db2.gz YUERTUWTBISSGH-SIBVEZHUSA-N 0 3 492.616 4.719 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000017123660 556220157 /nfs/dbraw/zinc/22/01/57/556220157.db2.gz WARZSJQACXQIKA-XMMPIXPASA-N 0 3 450.579 4.560 50 30 biogenic JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1 ZINC000017180731 556234813 /nfs/dbraw/zinc/23/48/13/556234813.db2.gz RYNHJWWVGCVPEJ-XMMPIXPASA-N 0 3 450.579 4.560 50 30 JJEAHN CC1(C)CC(N=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000018068097 556283186 /nfs/dbraw/zinc/28/31/86/556283186.db2.gz DBNIPKKGJWTSPC-OPEKNORGSA-N 0 3 451.518 4.522 50 30 JJEAHN COc1ccc(C(=O)N=C(Nc2cc(C)cc(C)c2)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000032946189 556560931 /nfs/dbraw/zinc/56/09/31/556560931.db2.gz ULTVORWFOWSMJM-UHFFFAOYSA-N 0 3 478.637 4.879 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316116 569762153 /nfs/dbraw/zinc/76/21/53/569762153.db2.gz GLTFYPBNXCRRGW-QFIPXVFZSA-N 0 3 483.559 4.626 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346189 569769295 /nfs/dbraw/zinc/76/92/95/569769295.db2.gz YCCMLHVSHHGWLB-RDGATRHJSA-N 0 3 461.606 4.893 50 30 JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102168922 569810416 /nfs/dbraw/zinc/81/04/16/569810416.db2.gz QMQCPFGJVMEADE-NPJIAGGLSA-N 0 3 464.606 4.712 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccco1)CCCC2 ZINC000102863130 569825213 /nfs/dbraw/zinc/82/52/13/569825213.db2.gz PEKOAXRGSBGSSR-QHAWAJNXSA-N 0 3 479.945 4.796 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@H]3C1=O)CCCC2 ZINC000102863130 569825214 /nfs/dbraw/zinc/82/52/14/569825214.db2.gz PEKOAXRGSBGSSR-QHAWAJNXSA-N 0 3 479.945 4.796 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102928416 569827176 /nfs/dbraw/zinc/82/71/76/569827176.db2.gz YQBQHKLISLIULI-MOBKVPTQSA-N 0 3 456.970 4.502 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccncc1 ZINC000102931776 569828568 /nfs/dbraw/zinc/82/85/68/569828568.db2.gz VFXDFKQTJSTLEM-UUALVTFQSA-N 0 3 499.611 4.733 50 30 JJEAHN CC1(C)CC(N=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000104267993 569844343 /nfs/dbraw/zinc/84/43/43/569844343.db2.gz GZZQUSLZISTPGK-OPEKNORGSA-N 0 3 451.518 4.935 50 30 JJEAHN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C ZINC000105003932 569849458 /nfs/dbraw/zinc/84/94/58/569849458.db2.gz DRYQRDKAMSGNRH-URXFXBBRSA-N 0 3 456.652 4.599 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105007576 569849989 /nfs/dbraw/zinc/84/99/89/569849989.db2.gz IYCDYFMWWNABQG-VWNXMTODSA-N 0 3 491.632 4.847 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000169679369 569869566 /nfs/dbraw/zinc/86/95/66/569869566.db2.gz JEVVDZCEKWYCSA-LADGPHEKSA-N 0 3 461.606 4.799 50 30 JJEAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000169688910 569871401 /nfs/dbraw/zinc/87/14/01/569871401.db2.gz RGHRGTBKBUTSJT-WXFUMESZSA-N 0 3 469.566 4.858 50 30 JJEAHN C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000230110746 570044854 /nfs/dbraw/zinc/04/48/54/570044854.db2.gz TYXNDIQYGIEFHO-KCWPFWIISA-N 0 3 465.569 4.937 50 30 JJEAHN Cc1ccccc1N1OC2=C([O-])N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@H]1c1cccs1 ZINC000245238433 570057491 /nfs/dbraw/zinc/05/74/91/570057491.db2.gz ODKVWSKHQDRQMD-BDTNDASRSA-N 0 3 475.595 4.920 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@H]1c1cccs1 ZINC000245238433 570057492 /nfs/dbraw/zinc/05/74/92/570057492.db2.gz ODKVWSKHQDRQMD-BDTNDASRSA-N 0 3 475.595 4.920 50 30 JJEAHN COc1cc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC(F)F ZINC000003433153 194323090 /nfs/dbraw/zinc/32/30/90/194323090.db2.gz SKSHTWWKXDTRQV-UHFFFAOYSA-N 0 3 463.550 4.959 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102488510 130142618 /nfs/dbraw/zinc/14/26/18/130142618.db2.gz CGVNQXBKKZVZSU-IUKMQXEJSA-N 0 3 464.606 4.972 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccs1 ZINC000102496475 130150711 /nfs/dbraw/zinc/15/07/11/130150711.db2.gz CBIFXMDVFCYLJG-AYWGPLOBSA-N 0 3 470.635 4.855 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102502161 130155887 /nfs/dbraw/zinc/15/58/87/130155887.db2.gz ODNXHUABOKUXLZ-SBXHHDGASA-N 0 3 450.579 4.547 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102502161 130155888 /nfs/dbraw/zinc/15/58/88/130155888.db2.gz ODNXHUABOKUXLZ-SBXHHDGASA-N 0 3 450.579 4.547 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000102535972 130190704 /nfs/dbraw/zinc/19/07/04/130190704.db2.gz UHDSVRGEIFPFMR-NXLSWJSLSA-N 0 3 450.579 4.547 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102540128 130195248 /nfs/dbraw/zinc/19/52/48/130195248.db2.gz CHZFVEVDGQEQLP-CJJGVWJISA-N 0 3 494.632 4.802 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000102583382 130216888 /nfs/dbraw/zinc/21/68/88/130216888.db2.gz ORGBBNDBZYXYBZ-MOBKVPTQSA-N 0 3 474.960 4.640 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102862201 130334019 /nfs/dbraw/zinc/33/40/19/130334019.db2.gz SFZRVAAZLROVRU-CZNAVJSXSA-N 0 3 492.616 4.804 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102862201 130334024 /nfs/dbraw/zinc/33/40/24/130334024.db2.gz SFZRVAAZLROVRU-CZNAVJSXSA-N 0 3 492.616 4.804 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000102876893 130349403 /nfs/dbraw/zinc/34/94/03/130349403.db2.gz JNOZUXKAQMAEHQ-UUALVTFQSA-N 0 3 484.596 4.947 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000102881501 130358712 /nfs/dbraw/zinc/35/87/12/130358712.db2.gz BERMUHUCNHFLSX-MRJHHRETSA-N 0 3 477.388 4.766 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102890869 130372172 /nfs/dbraw/zinc/37/21/72/130372172.db2.gz XBKBJIUZVQFKDN-NXLSWJSLSA-N 0 3 468.569 4.624 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102890869 130372174 /nfs/dbraw/zinc/37/21/74/130372174.db2.gz XBKBJIUZVQFKDN-NXLSWJSLSA-N 0 3 468.569 4.624 50 30 JJEAHN C=C(C)[C@@H]1CC=C(CN2CCC([C@]3(C)NC(=O)N(Cc4cccc(OC)c4OC)C3=O)CC2)CC1 ZINC000011882281 518641996 /nfs/dbraw/zinc/64/19/96/518641996.db2.gz CEWILWCLPLIZHQ-PIKZIKFNSA-N 0 3 481.637 4.529 50 30 JJEAHN C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309148 518723282 /nfs/dbraw/zinc/72/32/82/518723282.db2.gz FFLUEWPFTMCFEA-URXFXBBRSA-N 0 3 456.652 4.600 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305299 518985844 /nfs/dbraw/zinc/98/58/44/518985844.db2.gz SRFJYISKCDXCBH-QHCPKHFHSA-N 0 3 479.621 4.910 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307068 518993632 /nfs/dbraw/zinc/99/36/32/518993632.db2.gz DPINIGRNIMQFLR-JOCHJYFZSA-N 0 3 453.558 4.792 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305975 518994718 /nfs/dbraw/zinc/99/47/18/518994718.db2.gz HOASLPBKWYPBFU-HSZRJFAPSA-N 0 3 479.621 4.910 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024081102 519019424 /nfs/dbraw/zinc/01/94/24/519019424.db2.gz HEGJJZUWGGVIEY-HSZRJFAPSA-N 0 3 468.981 4.743 50 30 JJEAHN C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016752120 519050011 /nfs/dbraw/zinc/05/00/11/519050011.db2.gz IVOVMYQLMKZOKM-VWLOTQADSA-N 0 3 476.573 4.562 50 30 JJEAHN C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1c(OC)ccc3ccccc31)C2 ZINC000014740930 519287215 /nfs/dbraw/zinc/28/72/15/519287215.db2.gz GWLZSUJMSJRUSH-NRFANRHFSA-N 0 3 458.606 4.504 50 30 JJEAHN CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(Cc3cccc4cccnc43)CC2)C1=O ZINC000012098605 519339346 /nfs/dbraw/zinc/33/93/46/519339346.db2.gz TZBLZDGNAQNBCW-WJOKGBTCSA-N 0 3 494.639 4.784 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009043222 520465633 /nfs/dbraw/zinc/46/56/33/520465633.db2.gz CGGSTHOMYGJOBI-ZHHPLPSFSA-N 0 3 470.997 4.892 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009043222 520465640 /nfs/dbraw/zinc/46/56/40/520465640.db2.gz CGGSTHOMYGJOBI-ZHHPLPSFSA-N 0 3 470.997 4.892 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009233686 520466567 /nfs/dbraw/zinc/46/65/67/520466567.db2.gz OCVOWZPIAAHTAO-NPJIAGGLSA-N 0 3 480.605 4.638 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009233686 520466576 /nfs/dbraw/zinc/46/65/76/520466576.db2.gz OCVOWZPIAAHTAO-NPJIAGGLSA-N 0 3 480.605 4.638 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1 ZINC000009271057 520649424 /nfs/dbraw/zinc/64/94/24/520649424.db2.gz STIWZNNOHSNDGP-MOBKVPTQSA-N 0 3 497.389 4.959 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1OC ZINC000020442921 520658446 /nfs/dbraw/zinc/65/84/46/520658446.db2.gz CELQZQPTZXNFAG-VWLOTQADSA-N 0 3 480.605 4.650 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1Cl ZINC000016733435 520874689 /nfs/dbraw/zinc/87/46/89/520874689.db2.gz XGDDIRMUURUQFD-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1Cl ZINC000016733435 520874699 /nfs/dbraw/zinc/87/46/99/520874699.db2.gz XGDDIRMUURUQFD-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCN(CC)CC ZINC000009359551 521579284 /nfs/dbraw/zinc/57/92/84/521579284.db2.gz RGPIPJYVBKSFSQ-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020437603 524054699 /nfs/dbraw/zinc/05/46/99/524054699.db2.gz KBMJHGBDQZTWAJ-AREMUKBSSA-N 0 3 486.568 4.501 50 30 JJEAHN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000016735248 526022760 /nfs/dbraw/zinc/02/27/60/526022760.db2.gz KLQPBIODRYFLJF-VWLOTQADSA-N 0 3 474.557 4.697 50 30 JJEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009045521 526688879 /nfs/dbraw/zinc/68/88/79/526688879.db2.gz MFBQSNSKERQMBQ-KRWDZBQOSA-N 0 3 468.406 4.597 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)C)cc1 ZINC000009043571 527092006 /nfs/dbraw/zinc/09/20/06/527092006.db2.gz OKGRJXHJEGRRGZ-DEOSSOPVSA-N 0 3 474.605 4.605 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)C)cc1 ZINC000009043571 527092010 /nfs/dbraw/zinc/09/20/10/527092010.db2.gz OKGRJXHJEGRRGZ-DEOSSOPVSA-N 0 3 474.605 4.605 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102872390 535283694 /nfs/dbraw/zinc/28/36/94/535283694.db2.gz GGWMEXIAWDIKRI-AYWGPLOBSA-N 0 3 470.997 4.892 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102872390 535283699 /nfs/dbraw/zinc/28/36/99/535283699.db2.gz GGWMEXIAWDIKRI-AYWGPLOBSA-N 0 3 470.997 4.892 50 30 JJEAHN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102644461 535373885 /nfs/dbraw/zinc/37/38/85/535373885.db2.gz CNHDSVWQPPIAJS-CRJQIMHWSA-N 0 3 462.590 4.507 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000008931631 554825939 /nfs/dbraw/zinc/82/59/39/554825939.db2.gz XBSDTSSKXPOMRV-AYWGPLOBSA-N 0 3 470.997 4.891 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000008931631 554825940 /nfs/dbraw/zinc/82/59/40/554825940.db2.gz XBSDTSSKXPOMRV-AYWGPLOBSA-N 0 3 470.997 4.891 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000008996546 554857398 /nfs/dbraw/zinc/85/73/98/554857398.db2.gz YCRUNARZKWFFBD-AREMUKBSSA-N 0 3 488.559 4.853 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009007980 554861822 /nfs/dbraw/zinc/86/18/22/554861822.db2.gz LFKLGCMCMUVLPH-RUZDIDTESA-N 0 3 478.589 4.569 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000013282813 555370875 /nfs/dbraw/zinc/37/08/75/555370875.db2.gz XAHLRMJHSDZGIQ-AREMUKBSSA-N 0 3 486.568 4.936 50 30 JJEAHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1c1ccc3c(c1)OCCCO3)CCCC2 ZINC000009744802 555476223 /nfs/dbraw/zinc/47/62/23/555476223.db2.gz AUNUUYKKLBUEKA-FQEVSTJZSA-N 0 3 451.592 4.826 50 30 JJEAHN CN1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c(C#N)c(-c3cccs3)c2C1 ZINC000019852692 555511771 /nfs/dbraw/zinc/51/17/71/555511771.db2.gz ZPUAMLYEWCBMKJ-UHFFFAOYSA-N 0 3 491.667 4.822 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029350 555604902 /nfs/dbraw/zinc/60/49/02/555604902.db2.gz NQBJNHJJIWRJNB-DEOSSOPVSA-N 0 3 450.579 4.737 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1F ZINC000020057482 555620353 /nfs/dbraw/zinc/62/03/53/555620353.db2.gz RLLURUCXPKOJAG-QHCPKHFHSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000020065355 555625153 /nfs/dbraw/zinc/62/51/53/555625153.db2.gz TYLDWXQJXADATB-JOCHJYFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000020065355 555625155 /nfs/dbraw/zinc/62/51/55/555625155.db2.gz TYLDWXQJXADATB-JOCHJYFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000020082721 555630857 /nfs/dbraw/zinc/63/08/57/555630857.db2.gz NBTYPDUUOALMCK-RUZDIDTESA-N 0 3 480.605 4.656 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000020082721 555630859 /nfs/dbraw/zinc/63/08/59/555630859.db2.gz NBTYPDUUOALMCK-RUZDIDTESA-N 0 3 480.605 4.656 50 30 JJEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000020103324 555635618 /nfs/dbraw/zinc/63/56/18/555635618.db2.gz PBIOQYWAPGXTIS-AREMUKBSSA-N 0 3 488.559 4.853 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020150141 555666326 /nfs/dbraw/zinc/66/63/26/555666326.db2.gz QTAZGXTWEMDKQM-OAQYLSRUSA-N 0 3 469.651 4.978 50 30 JJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)oc21 ZINC000020219198 555713371 /nfs/dbraw/zinc/71/33/71/555713371.db2.gz TVMOEFXDZYHKJH-NRFANRHFSA-N 0 3 468.937 4.625 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020219747 555715881 /nfs/dbraw/zinc/71/58/81/555715881.db2.gz ITNJWTJQJXOYJG-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020230430 555721064 /nfs/dbraw/zinc/72/10/64/555721064.db2.gz ORCRJFKOACPQNM-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020230430 555721066 /nfs/dbraw/zinc/72/10/66/555721066.db2.gz ORCRJFKOACPQNM-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccncc1 ZINC000020230975 555721391 /nfs/dbraw/zinc/72/13/91/555721391.db2.gz NXMAHNKXJRYKJG-HHHXNRCGSA-N 0 3 499.611 4.889 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccncc1 ZINC000020230972 555721426 /nfs/dbraw/zinc/72/14/26/555721426.db2.gz NXMAHNKXJRYKJG-MHZLTWQESA-N 0 3 499.611 4.889 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020233514 555724627 /nfs/dbraw/zinc/72/46/27/555724627.db2.gz CBPHYXUSMDJRCQ-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020233514 555724628 /nfs/dbraw/zinc/72/46/28/555724628.db2.gz CBPHYXUSMDJRCQ-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020264010 555746202 /nfs/dbraw/zinc/74/62/02/555746202.db2.gz NRXLSKGEKHLETB-QFIPXVFZSA-N 0 3 470.997 4.786 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020264766 555746864 /nfs/dbraw/zinc/74/68/64/555746864.db2.gz CWEHCOURJQKMPI-QHCPKHFHSA-N 0 3 454.542 4.535 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020264766 555746867 /nfs/dbraw/zinc/74/68/67/555746867.db2.gz CWEHCOURJQKMPI-QHCPKHFHSA-N 0 3 454.542 4.535 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020264732 555746948 /nfs/dbraw/zinc/74/69/48/555746948.db2.gz QPHIAAKVDIMGTB-QHCPKHFHSA-N 0 3 486.996 4.667 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020281861 555752430 /nfs/dbraw/zinc/75/24/30/555752430.db2.gz VSZSFKUMCPJKMP-RUZDIDTESA-N 0 3 478.589 4.569 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020281865 555752524 /nfs/dbraw/zinc/75/25/24/555752524.db2.gz VSZSFKUMCPJKMP-VWLOTQADSA-N 0 3 478.589 4.569 50 30 JJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020329308 555775210 /nfs/dbraw/zinc/77/52/10/555775210.db2.gz YECJJZUPNYCYSZ-SIBVEZHUSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024081313 556120295 /nfs/dbraw/zinc/12/02/95/556120295.db2.gz PZHHYTPUMCPDCZ-SANMLTNESA-N 0 3 493.648 4.770 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000024081313 556120296 /nfs/dbraw/zinc/12/02/96/556120296.db2.gz PZHHYTPUMCPDCZ-SANMLTNESA-N 0 3 493.648 4.770 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116139 556122293 /nfs/dbraw/zinc/12/22/93/556122293.db2.gz KZDIZAASPKMGHU-RUZDIDTESA-N 0 3 476.617 4.997 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000016734819 556155969 /nfs/dbraw/zinc/15/59/69/556155969.db2.gz HFQBOICUOAEBEW-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000016734819 556155971 /nfs/dbraw/zinc/15/59/71/556155971.db2.gz HFQBOICUOAEBEW-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000016734877 556156126 /nfs/dbraw/zinc/15/61/26/556156126.db2.gz GSRFBONJSMPCDI-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000016734877 556156129 /nfs/dbraw/zinc/15/61/29/556156129.db2.gz GSRFBONJSMPCDI-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018066046 556282171 /nfs/dbraw/zinc/28/21/71/556282171.db2.gz CZXINPNTHRBICH-PFBJBMPXSA-N 0 3 497.551 4.797 50 30 JJEAHN CCCCN(C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000008430693 562939226 /nfs/dbraw/zinc/93/92/26/562939226.db2.gz XKWCTPCDMGHMSE-UFSNDUKISA-N 0 3 450.579 4.647 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000036341991 569764992 /nfs/dbraw/zinc/76/49/92/569764992.db2.gz YJHXVOSGLZEXEW-URXFXBBRSA-N 0 3 477.605 4.593 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345846 569768510 /nfs/dbraw/zinc/76/85/10/569768510.db2.gz SOMRKJXVZZEPMM-RUZDIDTESA-N 0 3 461.606 4.750 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102864091 569825378 /nfs/dbraw/zinc/82/53/78/569825378.db2.gz KGHHTTBHMGAFEQ-SBXHHDGASA-N 0 3 450.579 4.582 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102928413 569827104 /nfs/dbraw/zinc/82/71/04/569827104.db2.gz YQBQHKLISLIULI-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102930678 569828029 /nfs/dbraw/zinc/82/80/29/569828029.db2.gz CORYHCMSNHTIIU-JBCNATCCSA-N 0 3 477.388 4.766 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c(C)c1 ZINC000103129427 569833139 /nfs/dbraw/zinc/83/31/39/569833139.db2.gz MVKPAIVZTJRQRU-NXLSWJSLSA-N 0 3 450.579 4.547 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)CC(C)C ZINC000104996288 569848833 /nfs/dbraw/zinc/84/88/33/569848833.db2.gz PMCFAJFXXSNURX-AREMUKBSSA-N 0 3 475.633 4.926 50 30 JJEAHN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000105002657 569849235 /nfs/dbraw/zinc/84/92/35/569849235.db2.gz ZEQJYFRUYXYQIP-DHLKQENFSA-N 0 3 470.679 4.846 50 30 JJEAHN Cc1nn2c3ccccc3n(CCN3CCCCC3)c2c1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000211082019 569876148 /nfs/dbraw/zinc/87/61/48/569876148.db2.gz FZCLAFYBLSXGRD-YPKPFQOOSA-N 0 3 457.534 4.888 50 30 JJEAHN C=C[C@](C)(O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000230112190 570044987 /nfs/dbraw/zinc/04/49/87/570044987.db2.gz PBEBVHTWVVKQFJ-KCWPFWIISA-N 0 3 468.663 4.519 50 30 JJEAHN C=C[C@](C)(O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000230112186 570045110 /nfs/dbraw/zinc/04/51/10/570045110.db2.gz KEJYLEYRXCQPAG-GJZUVCINSA-N 0 3 456.652 4.519 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009411214 124132765 /nfs/dbraw/zinc/13/27/65/124132765.db2.gz VOYSZAHOVHCKRG-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009411214 124132769 /nfs/dbraw/zinc/13/27/69/124132769.db2.gz VOYSZAHOVHCKRG-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)cc1 ZINC000012864042 195160826 /nfs/dbraw/zinc/16/08/26/195160826.db2.gz ZBOSXLVPZSYSOY-LOZBLBMSSA-N 0 3 465.590 4.817 50 30 biogenic JJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102487930 130142010 /nfs/dbraw/zinc/14/20/10/130142010.db2.gz SYUMPUIDLXDWAB-ONLXDWTESA-N 0 3 492.616 4.562 50 30 JJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cc1 ZINC000102541193 130196953 /nfs/dbraw/zinc/19/69/53/130196953.db2.gz DEIAQNIVKAQGDY-NPJIAGGLSA-N 0 3 474.557 4.540 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000102695340 130241903 /nfs/dbraw/zinc/24/19/03/130241903.db2.gz DWNCDXREAGQZEF-SBXHHDGASA-N 0 3 468.569 4.685 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000102695340 130241906 /nfs/dbraw/zinc/24/19/06/130241906.db2.gz DWNCDXREAGQZEF-SBXHHDGASA-N 0 3 468.569 4.685 50 30 JJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1C ZINC000102873669 130345701 /nfs/dbraw/zinc/34/57/01/130345701.db2.gz SFVRXDIGFWNFDP-NPJIAGGLSA-N 0 3 464.606 4.937 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1C ZINC000102873669 130345704 /nfs/dbraw/zinc/34/57/04/130345704.db2.gz SFVRXDIGFWNFDP-NPJIAGGLSA-N 0 3 464.606 4.937 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102925065 130394893 /nfs/dbraw/zinc/39/48/93/130394893.db2.gz XNGUNGIQEDYSER-ZZIWUOEGSA-N 0 3 488.632 4.622 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102925065 130394896 /nfs/dbraw/zinc/39/48/96/130394896.db2.gz XNGUNGIQEDYSER-ZZIWUOEGSA-N 0 3 488.632 4.622 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccs1 ZINC000102924835 130394920 /nfs/dbraw/zinc/39/49/20/130394920.db2.gz WXZMKBIZMFTGRI-ZHHPLPSFSA-N 0 3 470.635 4.855 50 30 JJEAHN C=C(C)[C@@H]1CC=C(CN2CCC([C@@]3(C)NC(=O)N(Cc4cccc(OC)c4OC)C3=O)CC2)CC1 ZINC000011882282 518642756 /nfs/dbraw/zinc/64/27/56/518642756.db2.gz CEWILWCLPLIZHQ-LYZGTLIUSA-N 0 3 481.637 4.529 50 30 JJEAHN C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305563 518983410 /nfs/dbraw/zinc/98/34/10/518983410.db2.gz TWAVZDPQRIWTDA-QFIPXVFZSA-N 0 3 465.594 4.664 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307807 518986659 /nfs/dbraw/zinc/98/66/59/518986659.db2.gz KEIYEAPGLCGEFK-QHCPKHFHSA-N 0 3 465.569 4.794 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307065 518986944 /nfs/dbraw/zinc/98/69/44/518986944.db2.gz DPINIGRNIMQFLR-QFIPXVFZSA-N 0 3 453.558 4.792 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036305662 518994190 /nfs/dbraw/zinc/99/41/90/518994190.db2.gz FAONWJNMXDKQCX-HSZRJFAPSA-N 0 3 477.605 4.664 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009066881 519011940 /nfs/dbraw/zinc/01/19/40/519011940.db2.gz PRODFEWTOANZOM-IUKMQXEJSA-N 0 3 462.590 4.748 50 30 JJEAHN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009353760 519839511 /nfs/dbraw/zinc/83/95/11/519839511.db2.gz UQEVKFHPVRNJIT-IQGLISFBSA-N 0 3 462.590 4.663 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009066183 520327324 /nfs/dbraw/zinc/32/73/24/520327324.db2.gz UBQKXWBDNZZFKE-DEOSSOPVSA-N 0 3 450.579 4.739 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Cl)cc1 ZINC000009043208 520648132 /nfs/dbraw/zinc/64/81/32/520648132.db2.gz ABYAKNCRNXKXKK-HOGKFDNTSA-N 0 3 482.964 4.858 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1 ZINC000009068874 520648585 /nfs/dbraw/zinc/64/85/85/520648585.db2.gz DINJCUZBEXMMMO-MOBKVPTQSA-N 0 3 452.938 4.850 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009066730 520650455 /nfs/dbraw/zinc/65/04/55/520650455.db2.gz WLZYBZFBLFPJQA-SBXHHDGASA-N 0 3 464.606 4.756 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009066730 520650465 /nfs/dbraw/zinc/65/04/65/520650465.db2.gz WLZYBZFBLFPJQA-SBXHHDGASA-N 0 3 464.606 4.756 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020390913 520658074 /nfs/dbraw/zinc/65/80/74/520658074.db2.gz ZZJYGABISIUHQQ-QHCPKHFHSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020390913 520658085 /nfs/dbraw/zinc/65/80/85/520658085.db2.gz ZZJYGABISIUHQQ-QHCPKHFHSA-N 0 3 454.542 4.533 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009184948 520873987 /nfs/dbraw/zinc/87/39/87/520873987.db2.gz MYKQZKZJQYAFCE-OAQYLSRUSA-N 0 3 477.388 4.922 50 30 JJEAHN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000016212866 522956475 /nfs/dbraw/zinc/95/64/75/522956475.db2.gz MSWHFAIYCRZDKD-QHCPKHFHSA-N 0 3 486.634 4.712 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3)cc2)c1 ZINC000009356898 524445185 /nfs/dbraw/zinc/44/51/85/524445185.db2.gz ODROJUFDGYNPHV-AREMUKBSSA-N 0 3 470.569 4.714 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000009065483 525367008 /nfs/dbraw/zinc/36/70/08/525367008.db2.gz AZNQHDBXYALAIT-XMMPIXPASA-N 0 3 468.569 4.699 50 30 JJEAHN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000016735251 526021121 /nfs/dbraw/zinc/02/11/21/526021121.db2.gz KLQPBIODRYFLJF-RUZDIDTESA-N 0 3 474.557 4.697 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102509183 535417685 /nfs/dbraw/zinc/41/76/85/535417685.db2.gz IXGBQIVRHGVFKZ-NPJIAGGLSA-N 0 3 480.605 4.556 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102509183 535417695 /nfs/dbraw/zinc/41/76/95/535417695.db2.gz IXGBQIVRHGVFKZ-NPJIAGGLSA-N 0 3 480.605 4.556 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000102517589 536561857 /nfs/dbraw/zinc/56/18/57/536561857.db2.gz KPAVILHIMNYDNO-JBCNATCCSA-N 0 3 477.388 4.684 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Br)cc1 ZINC000008920460 554817133 /nfs/dbraw/zinc/81/71/33/554817133.db2.gz XNKSKQJNCSOZCN-HOGKFDNTSA-N 0 3 497.389 4.959 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000008981144 554847027 /nfs/dbraw/zinc/84/70/27/554847027.db2.gz JAHUTPFOPLOQBB-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000008987765 554850481 /nfs/dbraw/zinc/85/04/81/554850481.db2.gz YFHFFHJYVJSEQM-QFIPXVFZSA-N 0 3 456.970 4.577 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccco3)cc2)c1 ZINC000008996489 554857354 /nfs/dbraw/zinc/85/73/54/554857354.db2.gz VKSONHFUKHBRIK-RUZDIDTESA-N 0 3 474.557 4.697 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008996773 554857856 /nfs/dbraw/zinc/85/78/56/554857856.db2.gz XQKXUGDAHBGKFN-NXLSWJSLSA-N 0 3 450.579 4.581 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009007558 554860612 /nfs/dbraw/zinc/86/06/12/554860612.db2.gz LPEPJVRQLACXSF-NHFXJNLRSA-N 0 3 465.352 4.896 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009007558 554860615 /nfs/dbraw/zinc/86/06/15/554860615.db2.gz LPEPJVRQLACXSF-NHFXJNLRSA-N 0 3 465.352 4.896 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000009008060 554862271 /nfs/dbraw/zinc/86/22/71/554862271.db2.gz XTPOSLGHMWZDSM-JOCHJYFZSA-N 0 3 456.608 4.621 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000013617702 555537299 /nfs/dbraw/zinc/53/72/99/555537299.db2.gz MKJAUTNVGDBYTG-NRFANRHFSA-N 0 3 477.388 4.840 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccncc1 ZINC000020065130 555624815 /nfs/dbraw/zinc/62/48/15/555624815.db2.gz FIYRKZPDKIWVRV-MHZLTWQESA-N 0 3 499.611 4.889 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccnc1 ZINC000020101838 555634384 /nfs/dbraw/zinc/63/43/84/555634384.db2.gz ZHHNDUDQLKBIDD-HHHXNRCGSA-N 0 3 499.611 4.889 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020188352 555690550 /nfs/dbraw/zinc/69/05/50/555690550.db2.gz KGVRKMMJVXDZAH-DEOSSOPVSA-N 0 3 495.576 4.611 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 ZINC000020190779 555691759 /nfs/dbraw/zinc/69/17/59/555691759.db2.gz GOEZBGLQUDWNQA-OAQYLSRUSA-N 0 3 471.395 4.678 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020232625 555723066 /nfs/dbraw/zinc/72/30/66/555723066.db2.gz JCVLVLIUIUSJHT-QHCPKHFHSA-N 0 3 486.996 4.667 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020266409 555748313 /nfs/dbraw/zinc/74/83/13/555748313.db2.gz NLJJNMSMIUQTFI-VWLOTQADSA-N 0 3 464.606 4.868 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 ZINC000020328322 555774232 /nfs/dbraw/zinc/77/42/32/555774232.db2.gz CWOCDNFWLNUQKR-RUZDIDTESA-N 0 3 478.589 4.501 50 30 JJEAHN C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014543199 555834365 /nfs/dbraw/zinc/83/43/65/555834365.db2.gz UIYMVANROSXWCO-OAQYLSRUSA-N 0 3 475.662 4.856 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000024081111 556119768 /nfs/dbraw/zinc/11/97/68/556119768.db2.gz OERRPRTWSBMZGN-DEOSSOPVSA-N 0 3 466.553 4.619 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000024081111 556119770 /nfs/dbraw/zinc/11/97/70/556119770.db2.gz OERRPRTWSBMZGN-DEOSSOPVSA-N 0 3 466.553 4.619 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081278 556120204 /nfs/dbraw/zinc/12/02/04/556120204.db2.gz ALMOQOKAZHKGFW-QFIPXVFZSA-N 0 3 456.970 4.577 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024081196 556120384 /nfs/dbraw/zinc/12/03/84/556120384.db2.gz NPARZAQDRNSIQF-AREMUKBSSA-N 0 3 492.616 4.879 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081459 556120659 /nfs/dbraw/zinc/12/06/59/556120659.db2.gz DNPFRQNGCGZUBR-RUZDIDTESA-N 0 3 462.590 4.823 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000036249902 569758186 /nfs/dbraw/zinc/75/81/86/569758186.db2.gz PWBLQKHDLBUSRW-VWLOTQADSA-N 0 3 461.606 4.754 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000101293966 569789818 /nfs/dbraw/zinc/78/98/18/569789818.db2.gz MKYDGDWKVOMKQZ-AYWGPLOBSA-N 0 3 468.981 4.668 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000101293966 569789819 /nfs/dbraw/zinc/78/98/19/569789819.db2.gz MKYDGDWKVOMKQZ-AYWGPLOBSA-N 0 3 468.981 4.668 50 30 JJEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102169837 569810590 /nfs/dbraw/zinc/81/05/90/569810590.db2.gz PETQMJYSLCAWTG-ZHHPLPSFSA-N 0 3 470.997 4.748 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccs2)cc1C ZINC000102873955 569826171 /nfs/dbraw/zinc/82/61/71/569826171.db2.gz BJRRYFKMQWMHHA-AYWGPLOBSA-N 0 3 470.635 4.999 50 30 JJEAHN CCOc1ccccc1NC(=NC(=O)c1ccc(CN2CCCCC2)cc1)NCc1ccncc1 ZINC000045940086 569840352 /nfs/dbraw/zinc/84/03/52/569840352.db2.gz OLAGJCUIJGISPJ-UHFFFAOYSA-N 0 3 471.605 4.864 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000169677615 569868773 /nfs/dbraw/zinc/86/87/73/569868773.db2.gz CVRLLENKLXIKNZ-XUZZJYLKSA-N 0 3 477.605 4.593 50 30 JJEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@@H](O)COc4cccc5ccccc54)[C@H]3C[C@@H]12 ZINC000252460021 570081209 /nfs/dbraw/zinc/08/12/09/570081209.db2.gz AYWGUJVWIMXXNN-MTGZYXKBSA-N 0 3 463.618 4.826 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000012619289 195056231 /nfs/dbraw/zinc/05/62/31/195056231.db2.gz KHOWTJKYGWCMGF-SANMLTNESA-N 0 3 494.632 4.959 50 30 JJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1C ZINC000102537997 130192672 /nfs/dbraw/zinc/19/26/72/130192672.db2.gz CJDCWQZGBVNTPP-IUKMQXEJSA-N 0 3 480.605 4.643 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1C ZINC000102537997 130192675 /nfs/dbraw/zinc/19/26/75/130192675.db2.gz CJDCWQZGBVNTPP-IUKMQXEJSA-N 0 3 480.605 4.643 50 30 JJEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102722567 130267888 /nfs/dbraw/zinc/26/78/88/130267888.db2.gz UOWONNOGKCGEHK-CJJGVWJISA-N 0 3 488.559 4.696 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000102724524 130269410 /nfs/dbraw/zinc/26/94/10/130269410.db2.gz OTAPCHGVDZKWNS-IUKMQXEJSA-N 0 3 464.606 4.854 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000102724524 130269412 /nfs/dbraw/zinc/26/94/12/130269412.db2.gz OTAPCHGVDZKWNS-IUKMQXEJSA-N 0 3 464.606 4.854 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102857679 130327081 /nfs/dbraw/zinc/32/70/81/130327081.db2.gz RROVNPCCQZUODK-HOGKFDNTSA-N 0 3 456.970 4.501 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000102926778 130398985 /nfs/dbraw/zinc/39/89/85/130398985.db2.gz KQFLWAIDUDOONZ-HOGKFDNTSA-N 0 3 456.608 4.609 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102928566 130402660 /nfs/dbraw/zinc/40/26/60/130402660.db2.gz WQXIIEHMTMRNHW-NKHPTUSLSA-N 0 3 492.616 4.562 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036302085 518302094 /nfs/dbraw/zinc/30/20/94/518302094.db2.gz CVRLLENKLXIKNZ-URXFXBBRSA-N 0 3 477.605 4.593 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000016736665 518978362 /nfs/dbraw/zinc/97/83/62/518978362.db2.gz QRFOJBAKEMBNHQ-LJQANCHMSA-N 0 3 494.475 4.929 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307591 518986063 /nfs/dbraw/zinc/98/60/63/518986063.db2.gz CZCUEAVFPISZQR-QFIPXVFZSA-N 0 3 453.558 4.792 50 30 JJEAHN C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305566 518991992 /nfs/dbraw/zinc/99/19/92/518991992.db2.gz TWAVZDPQRIWTDA-JOCHJYFZSA-N 0 3 465.594 4.664 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009271650 519010177 /nfs/dbraw/zinc/01/01/77/519010177.db2.gz RKXACKPWIQURTR-CJJGVWJISA-N 0 3 490.600 4.580 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009271650 519010183 /nfs/dbraw/zinc/01/01/83/519010183.db2.gz RKXACKPWIQURTR-CJJGVWJISA-N 0 3 490.600 4.580 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016733150 519021498 /nfs/dbraw/zinc/02/14/98/519021498.db2.gz ODBRPHSIJJMRLB-RUZDIDTESA-N 0 3 462.590 4.734 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016733150 519021504 /nfs/dbraw/zinc/02/15/04/519021504.db2.gz ODBRPHSIJJMRLB-RUZDIDTESA-N 0 3 462.590 4.734 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016732518 519021537 /nfs/dbraw/zinc/02/15/37/519021537.db2.gz SODIIVNUCHKYJK-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016732518 519021543 /nfs/dbraw/zinc/02/15/43/519021543.db2.gz SODIIVNUCHKYJK-HSZRJFAPSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016752122 519044916 /nfs/dbraw/zinc/04/49/16/519044916.db2.gz IVOVMYQLMKZOKM-RUZDIDTESA-N 0 3 476.573 4.562 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731287 520432616 /nfs/dbraw/zinc/43/26/16/520432616.db2.gz YMSKEQDYEQZRGN-DEOSSOPVSA-N 0 3 484.568 4.543 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000009186523 520652154 /nfs/dbraw/zinc/65/21/54/520652154.db2.gz VDXHLUMPQHGGOP-IUKMQXEJSA-N 0 3 464.606 4.793 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000009186523 520652161 /nfs/dbraw/zinc/65/21/61/520652161.db2.gz VDXHLUMPQHGGOP-IUKMQXEJSA-N 0 3 464.606 4.793 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C)cc1 ZINC000020358312 520658244 /nfs/dbraw/zinc/65/82/44/520658244.db2.gz DRHJKNUFYIPLJY-QHCPKHFHSA-N 0 3 462.546 4.670 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccs1 ZINC000020358233 520659401 /nfs/dbraw/zinc/65/94/01/520659401.db2.gz PCPYPAFGYZIXAW-JOCHJYFZSA-N 0 3 456.608 4.703 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1 ZINC000020395024 520660589 /nfs/dbraw/zinc/66/05/89/520660589.db2.gz RHRHUSPQKALZDX-SANMLTNESA-N 0 3 485.584 4.581 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020150140 520661071 /nfs/dbraw/zinc/66/10/71/520661071.db2.gz QTAZGXTWEMDKQM-NRFANRHFSA-N 0 3 469.651 4.978 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)cc1C ZINC000009237586 520856709 /nfs/dbraw/zinc/85/67/09/520856709.db2.gz UKGWMXHLRWKWIZ-QFIPXVFZSA-N 0 3 456.608 4.765 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(F)c2)cc1Cl ZINC000016733432 520874792 /nfs/dbraw/zinc/87/47/92/520874792.db2.gz HVOXAUJBQWFLQU-QFIPXVFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000016733456 520875221 /nfs/dbraw/zinc/87/52/21/520875221.db2.gz RCQDMIXYFMDRBI-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000016733456 520875227 /nfs/dbraw/zinc/87/52/27/520875227.db2.gz RCQDMIXYFMDRBI-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000016735786 520906771 /nfs/dbraw/zinc/90/67/71/520906771.db2.gz HERSFEKWAUSWRQ-XMMPIXPASA-N 0 3 450.579 4.704 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009046399 521233095 /nfs/dbraw/zinc/23/30/95/521233095.db2.gz LDUOCSMIRFMXJJ-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009046399 521233102 /nfs/dbraw/zinc/23/31/02/521233102.db2.gz LDUOCSMIRFMXJJ-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCN(CC)CC ZINC000020392515 521578919 /nfs/dbraw/zinc/57/89/19/521578919.db2.gz YCMHRXHWSUMMMF-RUZDIDTESA-N 0 3 480.605 4.793 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009122839 523373800 /nfs/dbraw/zinc/37/38/00/523373800.db2.gz HHKDCGVSUQFAQS-MOBKVPTQSA-N 0 3 470.997 4.629 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000020263065 523549743 /nfs/dbraw/zinc/54/97/43/523549743.db2.gz WJYDACFEBZXQNE-OAQYLSRUSA-N 0 3 493.387 4.541 50 30 JJEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020438146 524033845 /nfs/dbraw/zinc/03/38/45/524033845.db2.gz KXJCGIVRKRTGAR-RUZDIDTESA-N 0 3 464.606 4.814 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016212951 524055901 /nfs/dbraw/zinc/05/59/01/524055901.db2.gz GMGWGYOFQYCLGN-XMMPIXPASA-N 0 3 476.598 4.857 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)ccc1OCC(C)C ZINC000016713872 526199208 /nfs/dbraw/zinc/19/92/08/526199208.db2.gz QUQFZTQMDSHSJK-DEOSSOPVSA-N 0 3 468.569 4.699 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000102734860 535545530 /nfs/dbraw/zinc/54/55/30/535545530.db2.gz CMJVSXOALHJJDR-NPJIAGGLSA-N 0 3 480.605 4.554 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008740761 554642880 /nfs/dbraw/zinc/64/28/80/554642880.db2.gz GYLQCEVWOQNJTJ-WOOAAIBNSA-N 0 3 451.325 4.506 50 30 JJEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2C)cc1 ZINC000008741738 554644393 /nfs/dbraw/zinc/64/43/93/554644393.db2.gz ZPEIYUMLGKDPBB-UBFVSLLYSA-N 0 3 499.592 4.867 50 30 JJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000008818096 554701446 /nfs/dbraw/zinc/70/14/46/554701446.db2.gz CKQHKAKZUVKLLU-DEOSSOPVSA-N 0 3 476.598 4.775 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000008893724 554782537 /nfs/dbraw/zinc/78/25/37/554782537.db2.gz HIQRPYXSTZNQMZ-SBXHHDGASA-N 0 3 450.579 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000008893724 554782539 /nfs/dbraw/zinc/78/25/39/554782539.db2.gz HIQRPYXSTZNQMZ-SBXHHDGASA-N 0 3 450.579 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Br)cc1 ZINC000008920461 554817141 /nfs/dbraw/zinc/81/71/41/554817141.db2.gz XNKSKQJNCSOZCN-MOBKVPTQSA-N 0 3 497.389 4.959 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000013617320 555536911 /nfs/dbraw/zinc/53/69/11/555536911.db2.gz RAHFXQAQZQPJCV-OAQYLSRUSA-N 0 3 477.388 4.840 50 30 JJEAHN CN1CCc2nc(SCC(=O)Nc3c(F)cccc3F)c(C#N)c(-c3cccs3)c2C1 ZINC000020000515 555577405 /nfs/dbraw/zinc/57/74/05/555577405.db2.gz OTHXANQVICGBOT-UHFFFAOYSA-N 0 3 456.543 4.679 50 30 JJEAHN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCC1CCN(Cc2ccccc2)CC1 ZINC000013693093 555588021 /nfs/dbraw/zinc/58/80/21/555588021.db2.gz OBEZAUJLEYEQPS-UHFFFAOYSA-N 0 3 458.631 4.624 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020057795 555621147 /nfs/dbraw/zinc/62/11/47/555621147.db2.gz YRHDHUUDRWBNGQ-DEOSSOPVSA-N 0 3 450.579 4.621 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccncc1 ZINC000020065132 555625235 /nfs/dbraw/zinc/62/52/35/555625235.db2.gz FIYRKZPDKIWVRV-HHHXNRCGSA-N 0 3 499.611 4.889 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020129985 555655887 /nfs/dbraw/zinc/65/58/87/555655887.db2.gz MVHZPPDUOHTZCQ-AREMUKBSSA-N 0 3 494.632 4.959 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020190191 555691521 /nfs/dbraw/zinc/69/15/21/555691521.db2.gz JCSJDBMSAQHNAC-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020190191 555691524 /nfs/dbraw/zinc/69/15/24/555691524.db2.gz JCSJDBMSAQHNAC-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(Cl)cc3)oc21 ZINC000020219412 555714133 /nfs/dbraw/zinc/71/41/33/555714133.db2.gz VXARJXSOMGFBQC-OAQYLSRUSA-N 0 3 468.937 4.625 50 30 JJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(Cl)cc3)oc21 ZINC000020219413 555714141 /nfs/dbraw/zinc/71/41/41/555714141.db2.gz VXARJXSOMGFBQC-NRFANRHFSA-N 0 3 468.937 4.625 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020230798 555721027 /nfs/dbraw/zinc/72/10/27/555721027.db2.gz IYLCMLUWGWYPNE-VWLOTQADSA-N 0 3 462.590 4.905 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020263283 555745435 /nfs/dbraw/zinc/74/54/35/555745435.db2.gz IEWWJHAGTRRGNV-SANMLTNESA-N 0 3 492.616 4.960 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020263283 555745437 /nfs/dbraw/zinc/74/54/37/555745437.db2.gz IEWWJHAGTRRGNV-SANMLTNESA-N 0 3 492.616 4.960 50 30 JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020266406 555748318 /nfs/dbraw/zinc/74/83/18/555748318.db2.gz NLJJNMSMIUQTFI-RUZDIDTESA-N 0 3 464.606 4.868 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000020292150 555761960 /nfs/dbraw/zinc/76/19/60/555761960.db2.gz AVVRJFIWRYFUOX-HJPURHCSSA-N 0 3 468.981 4.584 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000020292150 555761963 /nfs/dbraw/zinc/76/19/63/555761963.db2.gz AVVRJFIWRYFUOX-HJPURHCSSA-N 0 3 468.981 4.584 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000024080606 556118703 /nfs/dbraw/zinc/11/87/03/556118703.db2.gz ORCJRMCQPHPPAS-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000024080606 556118705 /nfs/dbraw/zinc/11/87/05/556118705.db2.gz ORCJRMCQPHPPAS-XMMPIXPASA-N 0 3 468.569 4.843 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081344 556120347 /nfs/dbraw/zinc/12/03/47/556120347.db2.gz RMSMINPNFYDSIY-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081344 556120350 /nfs/dbraw/zinc/12/03/50/556120350.db2.gz RMSMINPNFYDSIY-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081350 556120356 /nfs/dbraw/zinc/12/03/56/556120356.db2.gz VWLHTCFRIJHAEN-AREMUKBSSA-N 0 3 492.616 4.879 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081350 556120357 /nfs/dbraw/zinc/12/03/57/556120357.db2.gz VWLHTCFRIJHAEN-AREMUKBSSA-N 0 3 492.616 4.879 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116135 556122378 /nfs/dbraw/zinc/12/23/78/556122378.db2.gz KZDIZAASPKMGHU-VWLOTQADSA-N 0 3 476.617 4.997 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024303396 556128749 /nfs/dbraw/zinc/12/87/49/556128749.db2.gz BTBPHUAPTBVOET-DEOSSOPVSA-N 0 3 450.579 4.622 50 30 JJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000016713645 556154376 /nfs/dbraw/zinc/15/43/76/556154376.db2.gz PMQZHFBXOHKTSJ-AREMUKBSSA-N 0 3 494.632 4.959 50 30 JJEAHN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000016713643 556154401 /nfs/dbraw/zinc/15/44/01/556154401.db2.gz PMQZHFBXOHKTSJ-SANMLTNESA-N 0 3 494.632 4.959 50 30 JJEAHN C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000032622862 556452719 /nfs/dbraw/zinc/45/27/19/556452719.db2.gz LMXNYHYWURXSCP-QFIPXVFZSA-N 0 3 452.938 4.508 50 30 JJEAHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1C ZINC000061876595 569609222 /nfs/dbraw/zinc/60/92/22/569609222.db2.gz LPTWPXYGHQJICM-RUZDIDTESA-N 0 3 490.611 4.815 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316170 569762329 /nfs/dbraw/zinc/76/23/29/569762329.db2.gz KSOPLCLVQOPWPL-QFIPXVFZSA-N 0 3 483.559 4.933 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000036341990 569765089 /nfs/dbraw/zinc/76/50/89/569765089.db2.gz YJHXVOSGLZEXEW-QPPBQGQZSA-N 0 3 477.605 4.593 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346132 569769069 /nfs/dbraw/zinc/76/90/69/569769069.db2.gz VNKDFJRMRNMFQM-RUZDIDTESA-N 0 3 461.606 4.750 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346822 569770996 /nfs/dbraw/zinc/77/09/96/569770996.db2.gz JEVVDZCEKWYCSA-UPVQGACJSA-N 0 3 461.606 4.799 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000101688485 569802875 /nfs/dbraw/zinc/80/28/75/569802875.db2.gz XZNBMIFJAYRVKG-XPWALMASSA-N 0 3 455.539 4.550 50 30 JJEAHN Cc1ccccc1N1OC2=C([O-])N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@@H]1c1ccccc1 ZINC000102863154 569825223 /nfs/dbraw/zinc/82/52/23/569825223.db2.gz DWFDEZFISNNQOH-SGNDLWITSA-N 0 3 469.566 4.858 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@@H]1c1ccccc1 ZINC000102863154 569825224 /nfs/dbraw/zinc/82/52/24/569825224.db2.gz DWFDEZFISNNQOH-SGNDLWITSA-N 0 3 469.566 4.858 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102864087 569825398 /nfs/dbraw/zinc/82/53/98/569825398.db2.gz KGHHTTBHMGAFEQ-NXLSWJSLSA-N 0 3 450.579 4.582 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102874525 569826130 /nfs/dbraw/zinc/82/61/30/569826130.db2.gz QVBQVCWPCRDOGD-JBCNATCCSA-N 0 3 477.388 4.684 50 30 JJEAHN CCCCCCCC(=O)N(CCN(C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000102991588 569830834 /nfs/dbraw/zinc/83/08/34/569830834.db2.gz JKRSFSGBWKSQEY-UHFFFAOYSA-N 0 3 478.630 4.844 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@H](C)CC ZINC000105000724 569848949 /nfs/dbraw/zinc/84/89/49/569848949.db2.gz CVRLLENKLXIKNZ-ZJSXRUAMSA-N 0 3 477.605 4.593 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000105009258 569850437 /nfs/dbraw/zinc/85/04/37/569850437.db2.gz YJHXVOSGLZEXEW-ZJSXRUAMSA-N 0 3 477.605 4.593 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000169680602 569870634 /nfs/dbraw/zinc/87/06/34/569870634.db2.gz YJHXVOSGLZEXEW-XUZZJYLKSA-N 0 3 477.605 4.593 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000229967506 570042841 /nfs/dbraw/zinc/04/28/41/570042841.db2.gz XZNBMIFJAYRVKG-YTFSRNRJSA-N 0 3 455.539 4.550 50 30 JJEAHN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C(C)C ZINC000245280902 570062152 /nfs/dbraw/zinc/06/21/52/570062152.db2.gz VPARBBWJDMNOEN-XUZZJYLKSA-N 0 3 456.652 4.599 50 30 JJEAHN C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248058725 570073342 /nfs/dbraw/zinc/07/33/42/570073342.db2.gz TYXNDIQYGIEFHO-YIXXDRMTSA-N 0 3 465.569 4.937 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102368628 130122164 /nfs/dbraw/zinc/12/21/64/130122164.db2.gz ISKHTIOXVFPPAF-NPJIAGGLSA-N 0 3 464.606 4.971 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccnc1 ZINC000102539317 130194197 /nfs/dbraw/zinc/19/41/97/130194197.db2.gz MGOSZCRHEJLXIF-UUALVTFQSA-N 0 3 499.611 4.733 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000102858779 130328891 /nfs/dbraw/zinc/32/88/91/130328891.db2.gz YESJCFMNDPJMFL-MOBKVPTQSA-N 0 3 452.938 4.850 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102862204 130333934 /nfs/dbraw/zinc/33/39/34/130333934.db2.gz SFZRVAAZLROVRU-CJJGVWJISA-N 0 3 492.616 4.804 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102862204 130333939 /nfs/dbraw/zinc/33/39/39/130333939.db2.gz SFZRVAAZLROVRU-CJJGVWJISA-N 0 3 492.616 4.804 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000102876889 130349385 /nfs/dbraw/zinc/34/93/85/130349385.db2.gz JNOZUXKAQMAEHQ-ONQGDUAMSA-N 0 3 484.596 4.947 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102879925 130355178 /nfs/dbraw/zinc/35/51/78/130355178.db2.gz MQOVUTYKCRTMEH-ONLXDWTESA-N 0 3 476.617 4.897 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102879925 130355181 /nfs/dbraw/zinc/35/51/81/130355181.db2.gz MQOVUTYKCRTMEH-ONLXDWTESA-N 0 3 476.617 4.897 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000102891400 130372705 /nfs/dbraw/zinc/37/27/05/130372705.db2.gz HWLMUABTCRJODS-CJJGVWJISA-N 0 3 488.559 4.778 50 30 JJEAHN C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307722 518983273 /nfs/dbraw/zinc/98/32/73/518983273.db2.gz LGGGIMNRVRPVTD-QFIPXVFZSA-N 0 3 453.558 4.794 50 30 JJEAHN C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000011814699 518999654 /nfs/dbraw/zinc/99/96/54/518999654.db2.gz JXBOBANREWCBMY-SXOMAYOGSA-N 0 3 496.721 4.720 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009234223 519060556 /nfs/dbraw/zinc/06/05/56/519060556.db2.gz IRQUATUPDYHYMQ-AYWGPLOBSA-N 0 3 468.981 4.668 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009234223 519060560 /nfs/dbraw/zinc/06/05/60/519060560.db2.gz IRQUATUPDYHYMQ-AYWGPLOBSA-N 0 3 468.981 4.668 50 30 JJEAHN C=CCOc1ccccc1CN1CCC([C@H](Cc2cccc(OC)c2)N(C)C(=O)C2CC2)CC1 ZINC000011812925 519070504 /nfs/dbraw/zinc/07/05/04/519070504.db2.gz UHFGUZNADNFMKP-MHZLTWQESA-N 0 3 462.634 4.952 50 30 JJEAHN C=C[C@@](C)(O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310287 519297744 /nfs/dbraw/zinc/29/77/44/519297744.db2.gz KEJYLEYRXCQPAG-BKMJKUGQSA-N 0 3 456.652 4.519 50 30 JJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000016734515 519676050 /nfs/dbraw/zinc/67/60/50/519676050.db2.gz YYIJBUDZXLRZET-DEOSSOPVSA-N 0 3 468.569 4.781 50 30 JJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020444188 520258390 /nfs/dbraw/zinc/25/83/90/520258390.db2.gz KFRJCXCZJYNPMZ-AFMDSPMNSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009329055 520259153 /nfs/dbraw/zinc/25/91/53/520259153.db2.gz HYNKXEUWXFFNCU-HUPAGYGUSA-N 0 3 492.616 4.562 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009046481 520328684 /nfs/dbraw/zinc/32/86/84/520328684.db2.gz IJHWFEKHXAFZBR-DEOSSOPVSA-N 0 3 464.606 4.913 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1 ZINC000009008257 520648220 /nfs/dbraw/zinc/64/82/20/520648220.db2.gz DINJCUZBEXMMMO-HOGKFDNTSA-N 0 3 452.938 4.850 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(Cl)c1 ZINC000009271706 520648316 /nfs/dbraw/zinc/64/83/16/520648316.db2.gz JEIBZEBDQQUZHY-HOGKFDNTSA-N 0 3 482.964 4.858 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000009186522 520650263 /nfs/dbraw/zinc/65/02/63/520650263.db2.gz VDXHLUMPQHGGOP-NPJIAGGLSA-N 0 3 464.606 4.793 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000009186522 520650267 /nfs/dbraw/zinc/65/02/67/520650267.db2.gz VDXHLUMPQHGGOP-NPJIAGGLSA-N 0 3 464.606 4.793 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000009176318 520651429 /nfs/dbraw/zinc/65/14/29/520651429.db2.gz LRBWUXOMXCSRRP-NPJIAGGLSA-N 0 3 482.596 4.932 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000009176318 520651434 /nfs/dbraw/zinc/65/14/34/520651434.db2.gz LRBWUXOMXCSRRP-NPJIAGGLSA-N 0 3 482.596 4.932 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000009042518 520857934 /nfs/dbraw/zinc/85/79/34/520857934.db2.gz KGDVKOLBBMPZOD-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1C ZINC000009312504 520859327 /nfs/dbraw/zinc/85/93/27/520859327.db2.gz AUZBAIUULKYLQY-VWLOTQADSA-N 0 3 480.605 4.800 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1C ZINC000009312504 520859335 /nfs/dbraw/zinc/85/93/35/520859335.db2.gz AUZBAIUULKYLQY-VWLOTQADSA-N 0 3 480.605 4.800 50 30 JJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000016212814 520895640 /nfs/dbraw/zinc/89/56/40/520895640.db2.gz AWBBMPLAPWPSJM-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009273638 521233544 /nfs/dbraw/zinc/23/35/44/521233544.db2.gz FUSDOGNPHLLHKY-ZHHPLPSFSA-N 0 3 486.996 4.511 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009273638 521233551 /nfs/dbraw/zinc/23/35/51/521233551.db2.gz FUSDOGNPHLLHKY-ZHHPLPSFSA-N 0 3 486.996 4.511 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020394600 521268035 /nfs/dbraw/zinc/26/80/35/521268035.db2.gz HPWDBOFCCIAZOJ-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020394600 521268042 /nfs/dbraw/zinc/26/80/42/521268042.db2.gz HPWDBOFCCIAZOJ-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCn2c(C)ccc2C)CC1 ZINC000020477201 521335246 /nfs/dbraw/zinc/33/52/46/521335246.db2.gz HPGKDBZPEATPNW-UHFFFAOYSA-N 0 3 454.622 4.861 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009122837 523373374 /nfs/dbraw/zinc/37/33/74/523373374.db2.gz HHKDCGVSUQFAQS-HOGKFDNTSA-N 0 3 470.997 4.629 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000009234091 526199173 /nfs/dbraw/zinc/19/91/73/526199173.db2.gz IHSPDDWTPIBENS-DEOSSOPVSA-N 0 3 468.569 4.699 50 30 JJEAHN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CCN(Cc2ccccc2)CC1 ZINC000009049220 527136784 /nfs/dbraw/zinc/13/67/84/527136784.db2.gz WMKYYEILQDRTTG-UHFFFAOYSA-N 0 3 465.022 4.640 50 30 JJEAHN COc1ccc([C@@](C#N)(CCCN2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc1OC ZINC000000638635 553722709 /nfs/dbraw/zinc/72/27/09/553722709.db2.gz KOAMFTIEPGPZSW-HHHXNRCGSA-N 0 3 452.595 4.977 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008818075 554701582 /nfs/dbraw/zinc/70/15/82/554701582.db2.gz RAHFXQAQZQPJCV-NRFANRHFSA-N 0 3 477.388 4.840 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008922243 554819163 /nfs/dbraw/zinc/81/91/63/554819163.db2.gz FIJYBGMWUGEJIE-XMMPIXPASA-N 0 3 464.606 4.831 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000008996545 554857148 /nfs/dbraw/zinc/85/71/48/554857148.db2.gz YCRUNARZKWFFBD-SANMLTNESA-N 0 3 488.559 4.853 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009007927 554861541 /nfs/dbraw/zinc/86/15/41/554861541.db2.gz PDBPVUUANGWNDH-SBXHHDGASA-N 0 3 450.579 4.582 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009007927 554861542 /nfs/dbraw/zinc/86/15/42/554861542.db2.gz PDBPVUUANGWNDH-SBXHHDGASA-N 0 3 450.579 4.582 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Br)cc1 ZINC000013646664 555551171 /nfs/dbraw/zinc/55/11/71/555551171.db2.gz NCXKYARLIVZISH-OAQYLSRUSA-N 0 3 483.362 4.725 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1 ZINC000013647585 555551975 /nfs/dbraw/zinc/55/19/75/555551975.db2.gz FLJDYUVRFKGSGM-OAQYLSRUSA-N 0 3 483.362 4.725 50 30 JJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000019938518 555556580 /nfs/dbraw/zinc/55/65/80/555556580.db2.gz WUZHTWZKXAQKIN-JOCHJYFZSA-N 0 3 456.608 4.703 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000020066042 555625579 /nfs/dbraw/zinc/62/55/79/555625579.db2.gz DRVYESOYILYBCB-NRFANRHFSA-N 0 3 471.395 4.678 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccnc1 ZINC000020101834 555634402 /nfs/dbraw/zinc/63/44/02/555634402.db2.gz ZHHNDUDQLKBIDD-MHZLTWQESA-N 0 3 499.611 4.889 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1F ZINC000020219185 555713402 /nfs/dbraw/zinc/71/34/02/555713402.db2.gz LXGDETBTUDRIQG-QFIPXVFZSA-N 0 3 466.509 4.501 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219464 555714447 /nfs/dbraw/zinc/71/44/47/555714447.db2.gz QPGIEPUCDAUBDM-RUZDIDTESA-N 0 3 480.605 4.791 50 30 JJEAHN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020231250 555721337 /nfs/dbraw/zinc/72/13/37/555721337.db2.gz VFNZZBBCNKONJB-QFIPXVFZSA-N 0 3 456.970 4.657 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000020263428 555745862 /nfs/dbraw/zinc/74/58/62/555745862.db2.gz GUVDXRHLTQTBMA-QFIPXVFZSA-N 0 3 456.970 4.612 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020263461 555745873 /nfs/dbraw/zinc/74/58/73/555745873.db2.gz VAQGSFBFVXBOJR-DEOSSOPVSA-N 0 3 462.590 4.689 50 30 JJEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020281344 555751977 /nfs/dbraw/zinc/75/19/77/555751977.db2.gz SFYAOXOHXGJNON-JOCHJYFZSA-N 0 3 499.405 4.544 50 30 JJEAHN C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCCOC)CC1 ZINC000014532156 555819594 /nfs/dbraw/zinc/81/95/94/555819594.db2.gz RFDQGHUPCOAIBT-RUZDIDTESA-N 0 3 465.638 4.625 50 30 JJEAHN CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140845 555919778 /nfs/dbraw/zinc/91/97/78/555919778.db2.gz YITDWYUYGHJMDL-UHFFFAOYSA-N 0 3 457.397 4.919 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1C ZINC000024080881 556119410 /nfs/dbraw/zinc/11/94/10/556119410.db2.gz NLKNFDQNSHWMEQ-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1C ZINC000024080881 556119412 /nfs/dbraw/zinc/11/94/12/556119412.db2.gz NLKNFDQNSHWMEQ-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)c(C)c1 ZINC000024080925 556119448 /nfs/dbraw/zinc/11/94/48/556119448.db2.gz CXLFSXXBBAPKMK-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)cc1C ZINC000024081045 556119834 /nfs/dbraw/zinc/11/98/34/556119834.db2.gz MSWLXBFZLPHYJJ-DEOSSOPVSA-N 0 3 468.569 4.843 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081275 556120197 /nfs/dbraw/zinc/12/01/97/556120197.db2.gz ALMOQOKAZHKGFW-JOCHJYFZSA-N 0 3 456.970 4.577 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)cc1C ZINC000024081427 556120694 /nfs/dbraw/zinc/12/06/94/556120694.db2.gz MAFRBQBHFZDTNF-XMMPIXPASA-N 0 3 466.553 4.619 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024303456 556128771 /nfs/dbraw/zinc/12/87/71/556128771.db2.gz HHOWEKLPTIKGID-XMMPIXPASA-N 0 3 464.606 4.831 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016805799 556162044 /nfs/dbraw/zinc/16/20/44/556162044.db2.gz GXDHHXOAOBZZRY-DEOSSOPVSA-N 0 3 484.568 4.543 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1 ZINC000017180732 556234766 /nfs/dbraw/zinc/23/47/66/556234766.db2.gz RYNHJWWVGCVPEJ-DEOSSOPVSA-N 0 3 450.579 4.560 50 30 JJEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000018158326 556296270 /nfs/dbraw/zinc/29/62/70/556296270.db2.gz GRHRDDLVMYFUJB-VXNXHJTFSA-N 0 3 485.565 4.558 50 30 JJEAHN Cc1nc2c3ccccc3nc(SCC(=O)C(C#N)c3nc(-c4ccccc4)cs3)n2n1 ZINC000032777268 556492352 /nfs/dbraw/zinc/49/23/52/556492352.db2.gz ALHUGWIWSSTOFZ-QGZVFWFLSA-N 0 3 456.556 4.678 50 30 JJEAHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1C ZINC000061876594 569609213 /nfs/dbraw/zinc/60/92/13/569609213.db2.gz LPTWPXYGHQJICM-VWLOTQADSA-N 0 3 490.611 4.815 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036316089 569762149 /nfs/dbraw/zinc/76/21/49/569762149.db2.gz GXFOYWRMPNPJCZ-XMMPIXPASA-N 0 3 461.606 4.963 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346131 569768957 /nfs/dbraw/zinc/76/89/57/569768957.db2.gz VNKDFJRMRNMFQM-VWLOTQADSA-N 0 3 461.606 4.750 50 30 JJEAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101247225 569788073 /nfs/dbraw/zinc/78/80/73/569788073.db2.gz CZXINPNTHRBICH-VJGNERBWSA-N 0 3 497.551 4.797 50 30 JJEAHN Cc1ccccc1N1OC2=C([O-])N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@@H]1c1ccccc1 ZINC000102863146 569825219 /nfs/dbraw/zinc/82/52/19/569825219.db2.gz DWFDEZFISNNQOH-HJOGWXRNSA-N 0 3 469.566 4.858 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@@H]1c1ccccc1 ZINC000102863146 569825220 /nfs/dbraw/zinc/82/52/20/569825220.db2.gz DWFDEZFISNNQOH-HJOGWXRNSA-N 0 3 469.566 4.858 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102931617 569828485 /nfs/dbraw/zinc/82/84/85/569828485.db2.gz NLRIHDSLOQCIHZ-ZHHPLPSFSA-N 0 3 470.997 4.845 50 30 JJEAHN COc1ccc(C)cc1NC(=NC(=O)c1ccc(CN2CCCCC2)cc1)NCc1ccncc1 ZINC000045940110 569840377 /nfs/dbraw/zinc/84/03/77/569840377.db2.gz ASIYVDCIBCEHDZ-UHFFFAOYSA-N 0 3 471.605 4.783 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000104999207 569848874 /nfs/dbraw/zinc/84/88/74/569848874.db2.gz PWBLQKHDLBUSRW-RUZDIDTESA-N 0 3 461.606 4.754 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105007572 569849894 /nfs/dbraw/zinc/84/98/94/569849894.db2.gz IYCDYFMWWNABQG-ISKFKSNPSA-N 0 3 491.632 4.847 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@H]1c1ccccc1 ZINC000245238055 570057413 /nfs/dbraw/zinc/05/74/13/570057413.db2.gz DWFDEZFISNNQOH-SMIHKQSGSA-N 0 3 469.566 4.858 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)nc1C ZINC000002703954 194164188 /nfs/dbraw/zinc/16/41/88/194164188.db2.gz JMHBZMMWJZBBMU-QGZVFWFLSA-N 0 3 464.524 4.712 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000102509559 130163447 /nfs/dbraw/zinc/16/34/47/130163447.db2.gz KHFOGKRNOSRUGF-CJJGVWJISA-N 0 3 492.616 4.804 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000102509559 130163449 /nfs/dbraw/zinc/16/34/49/130163449.db2.gz KHFOGKRNOSRUGF-CJJGVWJISA-N 0 3 492.616 4.804 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000102509567 130163954 /nfs/dbraw/zinc/16/39/54/130163954.db2.gz KHFOGKRNOSRUGF-CZNAVJSXSA-N 0 3 492.616 4.804 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000102509567 130163956 /nfs/dbraw/zinc/16/39/56/130163956.db2.gz KHFOGKRNOSRUGF-CZNAVJSXSA-N 0 3 492.616 4.804 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102522598 130174967 /nfs/dbraw/zinc/17/49/67/130174967.db2.gz SIGNWCLYCQVWLN-MRJHHRETSA-N 0 3 455.624 4.647 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000102879921 130355081 /nfs/dbraw/zinc/35/50/81/130355081.db2.gz MQOVUTYKCRTMEH-NKHPTUSLSA-N 0 3 476.617 4.897 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000102879921 130355083 /nfs/dbraw/zinc/35/50/83/130355083.db2.gz MQOVUTYKCRTMEH-NKHPTUSLSA-N 0 3 476.617 4.897 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102886394 130367484 /nfs/dbraw/zinc/36/74/84/130367484.db2.gz NVFOSQUEYKLOEP-HOGKFDNTSA-N 0 3 456.970 4.501 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102925062 130395127 /nfs/dbraw/zinc/39/51/27/130395127.db2.gz XNGUNGIQEDYSER-UVDRRRQGSA-N 0 3 488.632 4.622 50 30 JJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102925062 130395133 /nfs/dbraw/zinc/39/51/33/130395133.db2.gz XNGUNGIQEDYSER-UVDRRRQGSA-N 0 3 488.632 4.622 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305250 518310077 /nfs/dbraw/zinc/31/00/77/518310077.db2.gz DUGZTKNUUCDFCS-HSZRJFAPSA-N 0 3 480.008 4.756 50 30 JJEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)COc4cccc5ccccc54)[C@H]3C[C@H]12 ZINC000009353065 518660441 /nfs/dbraw/zinc/66/04/41/518660441.db2.gz AYWGUJVWIMXXNN-AVCOQLNBSA-N 0 3 463.618 4.826 50 30 biogenic JJEAHN C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C(C)C ZINC000036309462 518712761 /nfs/dbraw/zinc/71/27/61/518712761.db2.gz VPARBBWJDMNOEN-QPPBQGQZSA-N 0 3 456.652 4.599 50 30 JJEAHN C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306281 518983735 /nfs/dbraw/zinc/98/37/35/518983735.db2.gz CCXXKYQQXRXYMJ-QFIPXVFZSA-N 0 3 465.594 4.664 50 30 JJEAHN C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306284 518991932 /nfs/dbraw/zinc/99/19/32/518991932.db2.gz CCXXKYQQXRXYMJ-JOCHJYFZSA-N 0 3 465.594 4.664 50 30 JJEAHN C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305918 518991945 /nfs/dbraw/zinc/99/19/45/518991945.db2.gz RCEVHIXZLKKIEU-JOCHJYFZSA-N 0 3 465.594 4.664 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307344 518994736 /nfs/dbraw/zinc/99/47/36/518994736.db2.gz VVLUJMSFSSCXBB-HSZRJFAPSA-N 0 3 465.569 4.794 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009008509 519008312 /nfs/dbraw/zinc/00/83/12/519008312.db2.gz YRMJTTGZZNIZCE-HOGKFDNTSA-N 0 3 489.399 4.932 50 30 JJEAHN C=CCOc1ccccc1CN1CCC([C@@H](Cc2cccc(OC)c2)N(C)C(=O)C2CC2)CC1 ZINC000011812926 519071166 /nfs/dbraw/zinc/07/11/66/519071166.db2.gz UHFGUZNADNFMKP-HHHXNRCGSA-N 0 3 462.634 4.952 50 30 JJEAHN C=C[C@@](C)(O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000036310299 519299415 /nfs/dbraw/zinc/29/94/15/519299415.db2.gz VIZBSGBYERJYNW-SHQCIBLASA-N 0 3 470.679 4.846 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009270701 520430010 /nfs/dbraw/zinc/43/00/10/520430010.db2.gz YUPHURORJBUWMV-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009065891 520650566 /nfs/dbraw/zinc/65/05/66/520650566.db2.gz PDBPVUUANGWNDH-NXLSWJSLSA-N 0 3 450.579 4.582 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009065891 520650572 /nfs/dbraw/zinc/65/05/72/520650572.db2.gz PDBPVUUANGWNDH-NXLSWJSLSA-N 0 3 450.579 4.582 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000020390917 520656665 /nfs/dbraw/zinc/65/66/65/520656665.db2.gz ZZJYGABISIUHQQ-HSZRJFAPSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000020390917 520656674 /nfs/dbraw/zinc/65/66/74/520656674.db2.gz ZZJYGABISIUHQQ-HSZRJFAPSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccncc1 ZINC000020461459 520659197 /nfs/dbraw/zinc/65/91/97/520659197.db2.gz ODHNUHXFMDSQNM-AREMUKBSSA-N 0 3 485.584 4.581 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000020392746 520660257 /nfs/dbraw/zinc/66/02/57/520660257.db2.gz DUIIGKHRZOLQMO-XMMPIXPASA-N 0 3 450.579 4.642 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000020392746 520660268 /nfs/dbraw/zinc/66/02/68/520660268.db2.gz DUIIGKHRZOLQMO-XMMPIXPASA-N 0 3 450.579 4.642 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009044804 520843172 /nfs/dbraw/zinc/84/31/72/520843172.db2.gz ZNAXTRYQIHVPFE-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009044804 520843181 /nfs/dbraw/zinc/84/31/81/520843181.db2.gz ZNAXTRYQIHVPFE-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008987692 520857204 /nfs/dbraw/zinc/85/72/04/520857204.db2.gz MBMZDHXLGXVAOS-DEOSSOPVSA-N 0 3 495.576 4.612 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)cc1Cl ZINC000016733427 520875305 /nfs/dbraw/zinc/87/53/05/520875305.db2.gz ATWODBWNEFZUFZ-QFIPXVFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000016733422 520876435 /nfs/dbraw/zinc/87/64/35/520876435.db2.gz KWXJNMHTVGJUDA-QFIPXVFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000016733422 520876439 /nfs/dbraw/zinc/87/64/39/520876439.db2.gz KWXJNMHTVGJUDA-QFIPXVFZSA-N 0 3 474.960 4.798 50 30 JJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024146889 520895405 /nfs/dbraw/zinc/89/54/05/520895405.db2.gz YUERTUWTBISSGH-AFMDSPMNSA-N 0 3 492.616 4.719 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009271388 523549126 /nfs/dbraw/zinc/54/91/26/523549126.db2.gz XJQORTPDGDWJDG-XMMPIXPASA-N 0 3 464.606 4.831 50 30 JJEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020533539 524052396 /nfs/dbraw/zinc/05/23/96/524052396.db2.gz VURXWRXSKLJZQE-DEOSSOPVSA-N 0 3 450.579 4.566 50 30 JJEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020438141 524052749 /nfs/dbraw/zinc/05/27/49/524052749.db2.gz KXJCGIVRKRTGAR-VWLOTQADSA-N 0 3 464.606 4.814 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000020357869 524055001 /nfs/dbraw/zinc/05/50/01/524055001.db2.gz VDRNLFOVXUSQQG-AREMUKBSSA-N 0 3 470.569 4.796 50 30 JJEAHN COc1ccc(NC(=NC(=O)c2cccc(C)c2)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000015729055 524377706 /nfs/dbraw/zinc/37/77/06/524377706.db2.gz FEDWZCVUKXUGQH-UHFFFAOYSA-N 0 3 464.610 4.571 50 30 JJEAHN COc1ccc(OCc2nnc(SCC(=O)C(C#N)c3nc(C)cs3)n2-c2ccccc2)cc1 ZINC000009469068 524978160 /nfs/dbraw/zinc/97/81/60/524978160.db2.gz NAJXGXCVGLAEKP-FQEVSTJZSA-N 0 3 491.598 4.588 50 30 JJEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000009280242 526687635 /nfs/dbraw/zinc/68/76/35/526687635.db2.gz GSIRMIOHWQLNLY-FQEVSTJZSA-N 0 3 455.624 4.587 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102500067 536563115 /nfs/dbraw/zinc/56/31/15/536563115.db2.gz BWTQOGWBVFZPGI-NXLSWJSLSA-N 0 3 464.606 4.675 50 30 JJEAHN COc1cccc(CSC2=NC(c3ccc4c(c3)OCO4)C3=C(N2)c2ccccc2C3=O)c1 ZINC000001384532 553965946 /nfs/dbraw/zinc/96/59/46/553965946.db2.gz BBZATUWEOLBCSC-QHCPKHFHSA-N 0 3 456.523 4.965 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000008739497 554641179 /nfs/dbraw/zinc/64/11/79/554641179.db2.gz MKWFMWDHKSFRCG-NXLSWJSLSA-N 0 3 450.579 4.546 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000008739497 554641180 /nfs/dbraw/zinc/64/11/80/554641180.db2.gz MKWFMWDHKSFRCG-NXLSWJSLSA-N 0 3 450.579 4.546 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008740760 554642827 /nfs/dbraw/zinc/64/28/27/554642827.db2.gz GYLQCEVWOQNJTJ-LFVOPCPISA-N 0 3 451.325 4.506 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C ZINC000008743883 554647034 /nfs/dbraw/zinc/64/70/34/554647034.db2.gz YSDNRDHVDLEPJP-QHCPKHFHSA-N 0 3 470.997 4.966 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Br)cc1 ZINC000008817189 554699840 /nfs/dbraw/zinc/69/98/40/554699840.db2.gz GQKALSGMBJTUDY-JBCNATCCSA-N 0 3 483.362 4.569 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008922239 554819149 /nfs/dbraw/zinc/81/91/49/554819149.db2.gz FIJYBGMWUGEJIE-DEOSSOPVSA-N 0 3 464.606 4.831 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000013553108 555493217 /nfs/dbraw/zinc/49/32/17/555493217.db2.gz KYVOYVFQEKJTHU-QHCPKHFHSA-N 0 3 450.579 4.523 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1C ZINC000019885386 555528706 /nfs/dbraw/zinc/52/87/06/555528706.db2.gz CEVWDYIVLHKQFV-DEOSSOPVSA-N 0 3 450.579 4.622 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1C ZINC000019885386 555528708 /nfs/dbraw/zinc/52/87/08/555528708.db2.gz CEVWDYIVLHKQFV-DEOSSOPVSA-N 0 3 450.579 4.622 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000020057254 555620330 /nfs/dbraw/zinc/62/03/30/555620330.db2.gz ITCBHZWPJUPXJP-XMMPIXPASA-N 0 3 468.569 4.841 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000020057254 555620332 /nfs/dbraw/zinc/62/03/32/555620332.db2.gz ITCBHZWPJUPXJP-XMMPIXPASA-N 0 3 468.569 4.841 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000020065353 555625179 /nfs/dbraw/zinc/62/51/79/555625179.db2.gz TYLDWXQJXADATB-QFIPXVFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000020065353 555625182 /nfs/dbraw/zinc/62/51/82/555625182.db2.gz TYLDWXQJXADATB-QFIPXVFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000020066043 555625558 /nfs/dbraw/zinc/62/55/58/555625558.db2.gz DRVYESOYILYBCB-OAQYLSRUSA-N 0 3 471.395 4.678 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000020135665 555660037 /nfs/dbraw/zinc/66/00/37/555660037.db2.gz HPPAERXENZHIDA-JOCHJYFZSA-N 0 3 499.405 4.544 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020150106 555666311 /nfs/dbraw/zinc/66/63/11/555666311.db2.gz UWRANSRQQDBGFU-DEOSSOPVSA-N 0 3 462.546 4.752 50 30 JJEAHN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020150160 555666335 /nfs/dbraw/zinc/66/63/35/555666335.db2.gz PBSDEPYUFSVXAU-QHCPKHFHSA-N 0 3 450.579 4.523 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020219858 555716263 /nfs/dbraw/zinc/71/62/63/555716263.db2.gz GECRYMPMSGTSAB-XMMPIXPASA-N 0 3 492.572 4.760 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020265328 555747722 /nfs/dbraw/zinc/74/77/22/555747722.db2.gz XUIZKHJMXOTQQI-VWLOTQADSA-N 0 3 480.605 4.794 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020265328 555747725 /nfs/dbraw/zinc/74/77/25/555747725.db2.gz XUIZKHJMXOTQQI-VWLOTQADSA-N 0 3 480.605 4.794 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020265331 555747755 /nfs/dbraw/zinc/74/77/55/555747755.db2.gz XUIZKHJMXOTQQI-RUZDIDTESA-N 0 3 480.605 4.794 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020265331 555747758 /nfs/dbraw/zinc/74/77/58/555747758.db2.gz XUIZKHJMXOTQQI-RUZDIDTESA-N 0 3 480.605 4.794 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020280699 555751599 /nfs/dbraw/zinc/75/15/99/555751599.db2.gz KARVHSKULFOBGT-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020280699 555751602 /nfs/dbraw/zinc/75/16/02/555751602.db2.gz KARVHSKULFOBGT-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080744 556119020 /nfs/dbraw/zinc/11/90/20/556119020.db2.gz VIYHRPSXALZSPL-DEOSSOPVSA-N 0 3 450.579 4.622 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080744 556119023 /nfs/dbraw/zinc/11/90/23/556119023.db2.gz VIYHRPSXALZSPL-DEOSSOPVSA-N 0 3 450.579 4.622 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024116231 556122250 /nfs/dbraw/zinc/12/22/50/556122250.db2.gz YBXSVTHRQVYWGX-AREMUKBSSA-N 0 3 490.600 4.655 50 30 JJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024146898 556123271 /nfs/dbraw/zinc/12/32/71/556123271.db2.gz YUERTUWTBISSGH-NIYFSFCBSA-N 0 3 492.616 4.719 50 30 JJEAHN CCCOc1cc(OCCC)c(C#CC#CCN2CCCCC2)cc1C#CC#CCN1CCCCC1 ZINC000016667079 556150130 /nfs/dbraw/zinc/15/01/30/556150130.db2.gz VKRITAAXVMSXLB-UHFFFAOYSA-N 0 3 484.684 4.946 50 30 JJEAHN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751260 556157193 /nfs/dbraw/zinc/15/71/93/556157193.db2.gz GVHABLLXNGGFCC-XHCCPWGMSA-N 0 3 498.579 4.942 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000017138654 556224413 /nfs/dbraw/zinc/22/44/13/556224413.db2.gz WSNRDWUUCQBSGI-JOCHJYFZSA-N 0 3 456.608 4.765 50 30 JJEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000032777005 556492322 /nfs/dbraw/zinc/49/23/22/556492322.db2.gz BXEYGBRBRZESID-UHFFFAOYSA-N 0 3 487.979 4.896 50 30 JJEAHN COc1ccc(CCN=C2C=C(NCCc3ccc(OC)c(OC)c3)c3ccccc32)cc1OC ZINC000100470349 569761746 /nfs/dbraw/zinc/76/17/46/569761746.db2.gz ZNSLZVOAHFJCME-GDWJVWIDSA-N 0 3 472.585 4.940 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000036316240 569762332 /nfs/dbraw/zinc/76/23/32/569762332.db2.gz LJCUSVJNKSCJTQ-DEOSSOPVSA-N 0 3 461.606 4.696 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346234 569769168 /nfs/dbraw/zinc/76/91/68/569769168.db2.gz HDJKWMXUXOCHHH-XMMPIXPASA-N 0 3 465.569 4.581 50 30 JJEAHN N#CC(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2n1 ZINC000040150590 569819667 /nfs/dbraw/zinc/81/96/67/569819667.db2.gz ZGMCVFZYECNJRA-FQEVSTJZSA-N 0 3 451.448 4.982 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102928734 569827408 /nfs/dbraw/zinc/82/74/08/569827408.db2.gz YBVKMFNNZSUTRT-MRJHHRETSA-N 0 3 477.388 4.684 50 30 JJEAHN C=C[C@](C)(O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000105004531 569850013 /nfs/dbraw/zinc/85/00/13/569850013.db2.gz KEJYLEYRXCQPAG-NVQXNPDNSA-N 0 3 456.652 4.519 50 30 JJEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000137908967 569865451 /nfs/dbraw/zinc/86/54/51/569865451.db2.gz GRHRDDLVMYFUJB-RBZQAINGSA-N 0 3 485.565 4.558 50 30 JJEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2C)cc1 ZINC000238950798 570048348 /nfs/dbraw/zinc/04/83/48/570048348.db2.gz ZPEIYUMLGKDPBB-GVAUOCQISA-N 0 3 499.592 4.867 50 30 JJEAHN Cc1ccccc1N1OC2=C([O-])N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@H]1c1cccs1 ZINC000245238434 570057507 /nfs/dbraw/zinc/05/75/07/570057507.db2.gz ODKVWSKHQDRQMD-VSKRKVRLSA-N 0 3 475.595 4.920 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@H]1c1cccs1 ZINC000245238434 570057508 /nfs/dbraw/zinc/05/75/08/570057508.db2.gz ODKVWSKHQDRQMD-VSKRKVRLSA-N 0 3 475.595 4.920 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000012614903 195054730 /nfs/dbraw/zinc/05/47/30/195054730.db2.gz SOPTUWBRFUVANA-IBGZPJMESA-N 0 3 451.325 4.663 50 30 JJEAHN C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)C(=O)O[C@@H]1C2 ZINC000059415259 195399508 /nfs/dbraw/zinc/39/95/08/195399508.db2.gz BHHPFKIBWAGHLZ-KSIJMGLHSA-N 0 3 479.448 4.642 50 30 biogenic JJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102487919 130142014 /nfs/dbraw/zinc/14/20/14/130142014.db2.gz SYUMPUIDLXDWAB-NKHPTUSLSA-N 0 3 492.616 4.562 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102488520 130142587 /nfs/dbraw/zinc/14/25/87/130142587.db2.gz CGVNQXBKKZVZSU-NPJIAGGLSA-N 0 3 464.606 4.972 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccs1 ZINC000102496467 130150638 /nfs/dbraw/zinc/15/06/38/130150638.db2.gz CBIFXMDVFCYLJG-ZHHPLPSFSA-N 0 3 470.635 4.855 50 30 JJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cc1 ZINC000102541184 130196848 /nfs/dbraw/zinc/19/68/48/130196848.db2.gz DEIAQNIVKAQGDY-IUKMQXEJSA-N 0 3 474.557 4.540 50 30 JJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102641735 130228967 /nfs/dbraw/zinc/22/89/67/130228967.db2.gz SYUMPUIDLXDWAB-KXCNXCNDSA-N 0 3 492.616 4.562 50 30 JJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102641734 130228991 /nfs/dbraw/zinc/22/89/91/130228991.db2.gz SYUMPUIDLXDWAB-HUPAGYGUSA-N 0 3 492.616 4.562 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102881504 130358726 /nfs/dbraw/zinc/35/87/26/130358726.db2.gz BERMUHUCNHFLSX-JBCNATCCSA-N 0 3 477.388 4.766 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305248 518300016 /nfs/dbraw/zinc/30/00/16/518300016.db2.gz DUGZTKNUUCDFCS-QHCPKHFHSA-N 0 3 480.008 4.756 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303991 518302692 /nfs/dbraw/zinc/30/26/92/518302692.db2.gz RIGLTMCYDQBXKP-QHCPKHFHSA-N 0 3 483.559 4.720 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000016736663 518978519 /nfs/dbraw/zinc/97/85/19/518978519.db2.gz QRFOJBAKEMBNHQ-IBGZPJMESA-N 0 3 494.475 4.929 50 30 JJEAHN C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305915 518983967 /nfs/dbraw/zinc/98/39/67/518983967.db2.gz RCEVHIXZLKKIEU-QFIPXVFZSA-N 0 3 465.594 4.664 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016733147 519021265 /nfs/dbraw/zinc/02/12/65/519021265.db2.gz ODBRPHSIJJMRLB-VWLOTQADSA-N 0 3 462.590 4.734 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016733147 519021271 /nfs/dbraw/zinc/02/12/71/519021271.db2.gz ODBRPHSIJJMRLB-VWLOTQADSA-N 0 3 462.590 4.734 50 30 JJEAHN C=C[C@@](C)(O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000036310289 519297719 /nfs/dbraw/zinc/29/77/19/519297719.db2.gz KEJYLEYRXCQPAG-ATIYNZHBSA-N 0 3 456.652 4.519 50 30 JJEAHN C=C[C@@](C)(O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036310291 519299527 /nfs/dbraw/zinc/29/95/27/519299527.db2.gz PBEBVHTWVVKQFJ-YIXXDRMTSA-N 0 3 468.663 4.519 50 30 JJEAHN CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(Cc3sccc3C)CC2)C1=O ZINC000014986983 519339465 /nfs/dbraw/zinc/33/94/65/519339465.db2.gz DDZILDRBQSWCDD-MHZLTWQESA-N 0 3 463.647 4.605 50 30 JJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009374016 519676144 /nfs/dbraw/zinc/67/61/44/519676144.db2.gz ZXAGDKDKVOAOGN-BCHFMIIMSA-N 0 3 492.616 4.575 50 30 JJEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009359833 519762009 /nfs/dbraw/zinc/76/20/09/519762009.db2.gz OFVDTRJIPZJPIE-QHCPKHFHSA-N 0 3 470.997 4.905 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009244333 519778580 /nfs/dbraw/zinc/77/85/80/519778580.db2.gz OWVGMSLSGBMJFK-DEOSSOPVSA-N 0 3 464.606 4.911 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000022275822 520326048 /nfs/dbraw/zinc/32/60/48/520326048.db2.gz JSRYKILQIBYIRP-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731290 520423239 /nfs/dbraw/zinc/42/32/39/520423239.db2.gz YMSKEQDYEQZRGN-XMMPIXPASA-N 0 3 484.568 4.543 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000009043210 520647859 /nfs/dbraw/zinc/64/78/59/520647859.db2.gz ABYAKNCRNXKXKK-MOBKVPTQSA-N 0 3 482.964 4.858 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F ZINC000019771772 520657926 /nfs/dbraw/zinc/65/79/26/520657926.db2.gz GSZSJTXIOUOUJR-HXUWFJFHSA-N 0 3 475.358 4.508 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009334022 520843889 /nfs/dbraw/zinc/84/38/89/520843889.db2.gz QLEOQZUPNUGAEB-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009334022 520843896 /nfs/dbraw/zinc/84/38/96/520843896.db2.gz QLEOQZUPNUGAEB-HOGKFDNTSA-N 0 3 456.970 4.502 50 30 JJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1C ZINC000009312505 520861022 /nfs/dbraw/zinc/86/10/22/520861022.db2.gz AUZBAIUULKYLQY-RUZDIDTESA-N 0 3 480.605 4.800 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1C ZINC000009312505 520861026 /nfs/dbraw/zinc/86/10/26/520861026.db2.gz AUZBAIUULKYLQY-RUZDIDTESA-N 0 3 480.605 4.800 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000021486975 520874070 /nfs/dbraw/zinc/87/40/70/520874070.db2.gz PWYWKWXAPXVGAB-JOCHJYFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731278 520896673 /nfs/dbraw/zinc/89/66/73/520896673.db2.gz WHZFRKPBADRSSA-VWLOTQADSA-N 0 3 498.595 4.933 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009240880 521232792 /nfs/dbraw/zinc/23/27/92/521232792.db2.gz ZAYLMFRJGUCFOO-ZHHPLPSFSA-N 0 3 486.996 4.511 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000015228433 523552191 /nfs/dbraw/zinc/55/21/91/523552191.db2.gz YKEZAISBTWTCAJ-QHCPKHFHSA-N 0 3 468.569 4.662 50 30 JJEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000009280244 526687881 /nfs/dbraw/zinc/68/78/81/526687881.db2.gz GSIRMIOHWQLNLY-HXUWFJFHSA-N 0 3 455.624 4.587 50 30 JJEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102879077 536566066 /nfs/dbraw/zinc/56/60/66/536566066.db2.gz DIHYVADPYMNWRM-CJJGVWJISA-N 0 3 486.568 4.779 50 30 JJEAHN COc1ccc(/C=N/n2c(C)nc3c4ccccc4[nH]c3c2=O)cc1CN1CCCC(C)(C)C1 ZINC000002342743 554156951 /nfs/dbraw/zinc/15/69/51/554156951.db2.gz HHTCHYVNZVXWES-RWPZCVJISA-N 0 3 457.578 4.699 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008817654 554700699 /nfs/dbraw/zinc/70/06/99/554700699.db2.gz ZTRRPSXDFOTZGC-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccs1 ZINC000008996585 554857361 /nfs/dbraw/zinc/85/73/61/554857361.db2.gz STFJINVUAVXYRP-JOCHJYFZSA-N 0 3 456.608 4.621 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009007979 554861830 /nfs/dbraw/zinc/86/18/30/554861830.db2.gz LFKLGCMCMUVLPH-VWLOTQADSA-N 0 3 478.589 4.569 50 30 JJEAHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)CCCC2 ZINC000009744811 555476282 /nfs/dbraw/zinc/47/62/82/555476282.db2.gz AUNUUYKKLBUEKA-HXUWFJFHSA-N 0 3 451.592 4.826 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000013553107 555493229 /nfs/dbraw/zinc/49/32/29/555493229.db2.gz KYVOYVFQEKJTHU-HSZRJFAPSA-N 0 3 450.579 4.523 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000019883375 555527676 /nfs/dbraw/zinc/52/76/76/555527676.db2.gz KQRUSFVGTYKVKN-IBGZPJMESA-N 0 3 477.786 4.633 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 ZINC000019938552 555556851 /nfs/dbraw/zinc/55/68/51/555556851.db2.gz OJFXOVIRYOHHAJ-FQEVSTJZSA-N 0 3 475.358 4.508 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 ZINC000019938552 555556852 /nfs/dbraw/zinc/55/68/52/555556852.db2.gz OJFXOVIRYOHHAJ-FQEVSTJZSA-N 0 3 475.358 4.508 50 30 JJEAHN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020150159 555666418 /nfs/dbraw/zinc/66/64/18/555666418.db2.gz PBSDEPYUFSVXAU-HSZRJFAPSA-N 0 3 450.579 4.523 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020191906 555693003 /nfs/dbraw/zinc/69/30/03/555693003.db2.gz MZLNEGKMLNPKNL-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020191906 555693007 /nfs/dbraw/zinc/69/30/07/555693007.db2.gz MZLNEGKMLNPKNL-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020219857 555716106 /nfs/dbraw/zinc/71/61/06/555716106.db2.gz GECRYMPMSGTSAB-DEOSSOPVSA-N 0 3 492.572 4.760 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccnc1 ZINC000020232102 555722115 /nfs/dbraw/zinc/72/21/15/555722115.db2.gz LJBSGUHKQNODNB-HHHXNRCGSA-N 0 3 499.611 4.889 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020232631 555723071 /nfs/dbraw/zinc/72/30/71/555723071.db2.gz JCVLVLIUIUSJHT-HSZRJFAPSA-N 0 3 486.996 4.667 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020234310 555725892 /nfs/dbraw/zinc/72/58/92/555725892.db2.gz RWCLKBGDAJCKQD-QHCPKHFHSA-N 0 3 486.996 4.667 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020234310 555725894 /nfs/dbraw/zinc/72/58/94/555725894.db2.gz RWCLKBGDAJCKQD-QHCPKHFHSA-N 0 3 486.996 4.667 50 30 JJEAHN C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014543198 555834285 /nfs/dbraw/zinc/83/42/85/555834285.db2.gz UIYMVANROSXWCO-NRFANRHFSA-N 0 3 475.662 4.856 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080750 556119061 /nfs/dbraw/zinc/11/90/61/556119061.db2.gz HPENQGNTUMARCG-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080750 556119064 /nfs/dbraw/zinc/11/90/64/556119064.db2.gz HPENQGNTUMARCG-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024081199 556120218 /nfs/dbraw/zinc/12/02/18/556120218.db2.gz NPARZAQDRNSIQF-SANMLTNESA-N 0 3 492.616 4.879 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081347 556120392 /nfs/dbraw/zinc/12/03/92/556120392.db2.gz RMSMINPNFYDSIY-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081347 556120393 /nfs/dbraw/zinc/12/03/93/556120393.db2.gz RMSMINPNFYDSIY-QHCPKHFHSA-N 0 3 470.997 4.967 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081462 556120682 /nfs/dbraw/zinc/12/06/82/556120682.db2.gz REPVUEONNBETFO-QHCPKHFHSA-N 0 3 468.981 4.743 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024116191 556122349 /nfs/dbraw/zinc/12/23/49/556122349.db2.gz RHRHBBBALGRQCM-RUZDIDTESA-N 0 3 462.590 4.788 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024116191 556122352 /nfs/dbraw/zinc/12/23/52/556122352.db2.gz RHRHBBBALGRQCM-RUZDIDTESA-N 0 3 462.590 4.788 50 30 JJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024146894 556123288 /nfs/dbraw/zinc/12/32/88/556123288.db2.gz YUERTUWTBISSGH-BCHFMIIMSA-N 0 3 492.616 4.719 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024303415 556128812 /nfs/dbraw/zinc/12/88/12/556128812.db2.gz YTBWOGTVGMWBFT-VWLOTQADSA-N 0 3 462.590 4.788 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024303415 556128813 /nfs/dbraw/zinc/12/88/13/556128813.db2.gz YTBWOGTVGMWBFT-VWLOTQADSA-N 0 3 462.590 4.788 50 30 JJEAHN COc1ccc(C(=O)N=C(Nc2cccc(C)c2)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000032946184 556560809 /nfs/dbraw/zinc/56/08/09/556560809.db2.gz AUOHIGQHPYIFCO-UHFFFAOYSA-N 0 3 464.610 4.571 50 30 JJEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000061997597 569609855 /nfs/dbraw/zinc/60/98/55/569609855.db2.gz BHHPFKIBWAGHLZ-JIAZJEIESA-N 0 3 479.448 4.642 50 30 biogenic JJEAHN CC(C)(C)OC(=O)N1CCN(c2ccc(C(=N)NOC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000063111074 569615143 /nfs/dbraw/zinc/61/51/43/569615143.db2.gz GGQVAKPEOXOIDT-UHFFFAOYSA-N 0 3 480.609 4.519 50 30 JJEAHN N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(N4CCCCC4)CC3)c2c1 ZINC000071775261 569698074 /nfs/dbraw/zinc/69/80/74/569698074.db2.gz YBOVPZHMPKCJAJ-UHFFFAOYSA-N 0 3 478.593 4.533 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036316358 569762762 /nfs/dbraw/zinc/76/27/62/569762762.db2.gz VFJGFJMVARMKLE-DEOSSOPVSA-N 0 3 491.632 4.704 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342034 569765219 /nfs/dbraw/zinc/76/52/19/569765219.db2.gz ZOHXKVKRJZBEGS-DEOSSOPVSA-N 0 3 465.569 4.581 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345975 569768573 /nfs/dbraw/zinc/76/85/73/569768573.db2.gz YULSOLMYEJCQNV-QHCPKHFHSA-N 0 3 465.569 4.581 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346788 569770907 /nfs/dbraw/zinc/77/09/07/569770907.db2.gz PDNPOPQJHCLHJM-XMMPIXPASA-N 0 3 461.606 4.657 50 30 JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102175249 569810749 /nfs/dbraw/zinc/81/07/49/569810749.db2.gz WEZNZSMYARAHCW-NPJIAGGLSA-N 0 3 464.606 4.712 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102930676 569828087 /nfs/dbraw/zinc/82/80/87/569828087.db2.gz CORYHCMSNHTIIU-MRJHHRETSA-N 0 3 477.388 4.766 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000103129386 569833111 /nfs/dbraw/zinc/83/31/11/569833111.db2.gz KYROCWMFENZHBU-IUKMQXEJSA-N 0 3 464.606 4.856 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000103129430 569833124 /nfs/dbraw/zinc/83/31/24/569833124.db2.gz MVKPAIVZTJRQRU-SBXHHDGASA-N 0 3 450.579 4.547 50 30 JJEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2C)cc1 ZINC000135682797 569864444 /nfs/dbraw/zinc/86/44/44/569864444.db2.gz ZPEIYUMLGKDPBB-ISJGIBHGSA-N 0 3 499.592 4.867 50 30 JJEAHN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102506169 130160456 /nfs/dbraw/zinc/16/04/56/130160456.db2.gz CNHDSVWQPPIAJS-FYPOKDMHSA-N 0 3 462.590 4.507 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102541525 130197390 /nfs/dbraw/zinc/19/73/90/130197390.db2.gz UIYWJSHQHUTNCS-NPJIAGGLSA-N 0 3 480.605 4.636 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102694053 130240606 /nfs/dbraw/zinc/24/06/06/130240606.db2.gz XBSDTSSKXPOMRV-ZHHPLPSFSA-N 0 3 470.997 4.891 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102694053 130240609 /nfs/dbraw/zinc/24/06/09/130240609.db2.gz XBSDTSSKXPOMRV-ZHHPLPSFSA-N 0 3 470.997 4.891 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000102699761 130246031 /nfs/dbraw/zinc/24/60/31/130246031.db2.gz UHTGQVYPEPKGOA-CZNAVJSXSA-N 0 3 488.584 4.849 50 30 JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000102699768 130246042 /nfs/dbraw/zinc/24/60/42/130246042.db2.gz UHTGQVYPEPKGOA-CJJGVWJISA-N 0 3 488.584 4.849 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccncc1 ZINC000102703464 130248791 /nfs/dbraw/zinc/24/87/91/130248791.db2.gz BPKZTSXFYURBBF-UUALVTFQSA-N 0 3 499.611 4.733 50 30 JJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102705470 130251307 /nfs/dbraw/zinc/25/13/07/130251307.db2.gz DECCJMDISWTDJQ-CJJGVWJISA-N 0 3 494.632 4.802 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccnc1 ZINC000102706884 130252923 /nfs/dbraw/zinc/25/29/23/130252923.db2.gz LPOHYGWUMYXIDK-ONQGDUAMSA-N 0 3 499.611 4.733 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102879928 130355189 /nfs/dbraw/zinc/35/51/89/130355189.db2.gz MQOVUTYKCRTMEH-KXCNXCNDSA-N 0 3 476.617 4.897 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102879928 130355190 /nfs/dbraw/zinc/35/51/90/130355190.db2.gz MQOVUTYKCRTMEH-KXCNXCNDSA-N 0 3 476.617 4.897 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccs1 ZINC000102924838 130394986 /nfs/dbraw/zinc/39/49/86/130394986.db2.gz WXZMKBIZMFTGRI-AYWGPLOBSA-N 0 3 470.635 4.855 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccnc1 ZINC000102925996 130397163 /nfs/dbraw/zinc/39/71/63/130397163.db2.gz XCTIMANDNAXWIG-ONQGDUAMSA-N 0 3 499.611 4.733 50 30 JJEAHN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C ZINC000003643617 518979591 /nfs/dbraw/zinc/97/95/91/518979591.db2.gz JZMJGUAOLAUBJX-GOSISDBHSA-N 0 3 462.483 4.552 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009008510 519010761 /nfs/dbraw/zinc/01/07/61/519010761.db2.gz YRMJTTGZZNIZCE-MOBKVPTQSA-N 0 3 489.399 4.932 50 30 JJEAHN C=CCOc1ccccc1CN1CCOc2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2C1 ZINC000011880476 519070252 /nfs/dbraw/zinc/07/02/52/519070252.db2.gz FLXATJONQGQMDD-UHFFFAOYSA-N 0 3 485.628 4.525 50 30 JJEAHN C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036308837 519305256 /nfs/dbraw/zinc/30/52/56/519305256.db2.gz TYXNDIQYGIEFHO-HOFKKMOUSA-N 0 3 465.569 4.937 50 30 JJEAHN CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014983138 519337765 /nfs/dbraw/zinc/33/77/65/519337765.db2.gz UFZIGESBCAFMKQ-PMERELPUSA-N 0 3 482.628 4.717 50 30 JJEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009359836 519762033 /nfs/dbraw/zinc/76/20/33/519762033.db2.gz OFVDTRJIPZJPIE-HSZRJFAPSA-N 0 3 470.997 4.905 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009243852 519778520 /nfs/dbraw/zinc/77/85/20/519778520.db2.gz UUBSQPSUCJWNQE-QFIPXVFZSA-N 0 3 456.970 4.657 50 30 JJEAHN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009353755 519840157 /nfs/dbraw/zinc/84/01/57/519840157.db2.gz UQEVKFHPVRNJIT-CJAUYULYSA-N 0 3 462.590 4.663 50 30 JJEAHN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009353758 519840214 /nfs/dbraw/zinc/84/02/14/519840214.db2.gz UQEVKFHPVRNJIT-BVZFJXPGSA-N 0 3 462.590 4.663 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000022275872 520328327 /nfs/dbraw/zinc/32/83/27/520328327.db2.gz GQGXFVBCPGPDBK-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000022275872 520328336 /nfs/dbraw/zinc/32/83/36/520328336.db2.gz GQGXFVBCPGPDBK-RUZDIDTESA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009046482 520328782 /nfs/dbraw/zinc/32/87/82/520328782.db2.gz IJHWFEKHXAFZBR-XMMPIXPASA-N 0 3 464.606 4.913 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009042916 520419669 /nfs/dbraw/zinc/41/96/69/520419669.db2.gz MCPOYXDSHCDIOX-ZHHPLPSFSA-N 0 3 486.996 4.511 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000009043227 520469506 /nfs/dbraw/zinc/46/95/06/520469506.db2.gz CGGSTHOMYGJOBI-AYWGPLOBSA-N 0 3 470.997 4.892 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009043227 520469511 /nfs/dbraw/zinc/46/95/11/520469511.db2.gz CGGSTHOMYGJOBI-AYWGPLOBSA-N 0 3 470.997 4.892 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009066745 520650534 /nfs/dbraw/zinc/65/05/34/520650534.db2.gz WLZYBZFBLFPJQA-NXLSWJSLSA-N 0 3 464.606 4.756 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009066745 520650539 /nfs/dbraw/zinc/65/05/39/520650539.db2.gz WLZYBZFBLFPJQA-NXLSWJSLSA-N 0 3 464.606 4.756 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009008702 520650942 /nfs/dbraw/zinc/65/09/42/520650942.db2.gz LPEPJVRQLACXSF-YDJIHCHBSA-N 0 3 465.352 4.896 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009008702 520650950 /nfs/dbraw/zinc/65/09/50/520650950.db2.gz LPEPJVRQLACXSF-YDJIHCHBSA-N 0 3 465.352 4.896 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009302133 520654787 /nfs/dbraw/zinc/65/47/87/520654787.db2.gz OMTDHDRSTNVAAN-JBCNATCCSA-N 0 3 469.651 4.821 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1OC ZINC000020442928 520659044 /nfs/dbraw/zinc/65/90/44/520659044.db2.gz CELQZQPTZXNFAG-RUZDIDTESA-N 0 3 480.605 4.650 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009339628 520841938 /nfs/dbraw/zinc/84/19/38/520841938.db2.gz FAPQFYOYRNIYRD-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009339628 520841946 /nfs/dbraw/zinc/84/19/46/520841946.db2.gz FAPQFYOYRNIYRD-IUKMQXEJSA-N 0 3 480.605 4.636 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000016733453 520875539 /nfs/dbraw/zinc/87/55/39/520875539.db2.gz RCQDMIXYFMDRBI-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000016733453 520875542 /nfs/dbraw/zinc/87/55/42/520875542.db2.gz RCQDMIXYFMDRBI-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000016212811 520896598 /nfs/dbraw/zinc/89/65/98/520896598.db2.gz AWBBMPLAPWPSJM-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)C(C#N)c4nc(C)cs4)n3C)cc2C1 ZINC000009515965 523373640 /nfs/dbraw/zinc/37/36/40/523373640.db2.gz UBKBHERMBFXTLB-HIFRSBDPSA-N 0 3 457.650 4.792 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009235090 523552140 /nfs/dbraw/zinc/55/21/40/523552140.db2.gz ZFFRYNBOILHRDZ-NRFANRHFSA-N 0 3 477.388 4.840 50 30 JJEAHN COc1cccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3CCCN5CCCC[C@H]35)CO4)C2=O)c1OC ZINC000020762351 525767358 /nfs/dbraw/zinc/76/73/58/525767358.db2.gz SXPHASSASUCBGN-KESFALLWSA-N 0 3 490.600 4.736 50 30 biogenic JJEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020390439 525789911 /nfs/dbraw/zinc/78/99/11/525789911.db2.gz BWRMCNGDVHVURD-XMMPIXPASA-N 0 3 450.579 4.560 50 30 JJEAHN N=C1NC(=Nc2ccc(Cc3ccc(N=C4NC(=N)c5ccccc54)cc3)cc2)c2ccccc21 ZINC000013301864 527137307 /nfs/dbraw/zinc/13/73/07/527137307.db2.gz IFMXFDALEIWCBP-UHFFFAOYSA-N 0 3 454.537 4.872 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102873567 536560924 /nfs/dbraw/zinc/56/09/24/536560924.db2.gz XUGLOHGYJRKCBE-JBCNATCCSA-N 0 3 477.388 4.684 50 30 JJEAHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000002320464 554147315 /nfs/dbraw/zinc/14/73/15/554147315.db2.gz MSPIXVCUKHJRFX-XMMPIXPASA-N 0 3 494.574 4.958 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1C ZINC000019885384 555528511 /nfs/dbraw/zinc/52/85/11/555528511.db2.gz CEVWDYIVLHKQFV-XMMPIXPASA-N 0 3 450.579 4.622 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1C ZINC000019885384 555528514 /nfs/dbraw/zinc/52/85/14/555528514.db2.gz CEVWDYIVLHKQFV-XMMPIXPASA-N 0 3 450.579 4.622 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029349 555604912 /nfs/dbraw/zinc/60/49/12/555604912.db2.gz NQBJNHJJIWRJNB-XMMPIXPASA-N 0 3 450.579 4.737 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020065658 555625161 /nfs/dbraw/zinc/62/51/61/555625161.db2.gz HRWLLMCDAKRLJI-SANMLTNESA-N 0 3 494.632 4.959 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccnc1 ZINC000020102707 555635024 /nfs/dbraw/zinc/63/50/24/555635024.db2.gz PSSHLODEBWZUPD-HHHXNRCGSA-N 0 3 499.611 4.889 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020193529 555694892 /nfs/dbraw/zinc/69/48/92/555694892.db2.gz JYTGYOVZDFLFGW-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020193529 555694893 /nfs/dbraw/zinc/69/48/93/555694893.db2.gz JYTGYOVZDFLFGW-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219463 555714354 /nfs/dbraw/zinc/71/43/54/555714354.db2.gz QPGIEPUCDAUBDM-VWLOTQADSA-N 0 3 480.605 4.791 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020219451 555714535 /nfs/dbraw/zinc/71/45/35/555714535.db2.gz NNQYNWYJVCRKMT-SANMLTNESA-N 0 3 490.600 4.736 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020219451 555714536 /nfs/dbraw/zinc/71/45/36/555714536.db2.gz NNQYNWYJVCRKMT-SANMLTNESA-N 0 3 490.600 4.736 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020228171 555718768 /nfs/dbraw/zinc/71/87/68/555718768.db2.gz OEMLQIQLIMYEQI-QFIPXVFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020230027 555720624 /nfs/dbraw/zinc/72/06/24/555720624.db2.gz NFHSVLNWEJVJPY-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000020230027 555720626 /nfs/dbraw/zinc/72/06/26/555720626.db2.gz NFHSVLNWEJVJPY-DEOSSOPVSA-N 0 3 450.579 4.704 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230491 555721121 /nfs/dbraw/zinc/72/11/21/555721121.db2.gz RHZXPWISJZMWCE-FQEVSTJZSA-N 0 3 463.361 4.532 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020231683 555721696 /nfs/dbraw/zinc/72/16/96/555721696.db2.gz GREQBJSVISQCNC-XMMPIXPASA-N 0 3 450.579 4.702 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020231683 555721698 /nfs/dbraw/zinc/72/16/98/555721698.db2.gz GREQBJSVISQCNC-XMMPIXPASA-N 0 3 450.579 4.702 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020232871 555723656 /nfs/dbraw/zinc/72/36/56/555723656.db2.gz INAFKROLGSUXPW-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020232871 555723659 /nfs/dbraw/zinc/72/36/59/555723659.db2.gz INAFKROLGSUXPW-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020263464 555745897 /nfs/dbraw/zinc/74/58/97/555745897.db2.gz VAQGSFBFVXBOJR-XMMPIXPASA-N 0 3 462.590 4.689 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020266917 555748348 /nfs/dbraw/zinc/74/83/48/555748348.db2.gz RGHKQKGMZCKCEH-BCHFMIIMSA-N 0 3 492.616 4.719 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000020292153 555761798 /nfs/dbraw/zinc/76/17/98/555761798.db2.gz AVVRJFIWRYFUOX-QMHKHESXSA-N 0 3 468.981 4.584 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000020292153 555761803 /nfs/dbraw/zinc/76/18/03/555761803.db2.gz AVVRJFIWRYFUOX-QMHKHESXSA-N 0 3 468.981 4.584 50 30 JJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080747 556119111 /nfs/dbraw/zinc/11/91/11/556119111.db2.gz HPENQGNTUMARCG-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080747 556119114 /nfs/dbraw/zinc/11/91/14/556119114.db2.gz HPENQGNTUMARCG-HSZRJFAPSA-N 0 3 470.997 4.967 50 30 JJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1C ZINC000024081051 556119901 /nfs/dbraw/zinc/11/99/01/556119901.db2.gz TUVXMHAYMKPIRC-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1C ZINC000024081051 556119906 /nfs/dbraw/zinc/11/99/06/556119906.db2.gz TUVXMHAYMKPIRC-VWLOTQADSA-N 0 3 480.605 4.713 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)c(C)c1 ZINC000024081151 556120363 /nfs/dbraw/zinc/12/03/63/556120363.db2.gz KLOZKTBPZIZFGG-XMMPIXPASA-N 0 3 466.553 4.619 50 30 JJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000024081249 556120374 /nfs/dbraw/zinc/12/03/74/556120374.db2.gz RHKFORNIPNXYRY-SANMLTNESA-N 0 3 490.600 4.655 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024116148 556122263 /nfs/dbraw/zinc/12/22/63/556122263.db2.gz XQIKAFQWUBITAG-AREMUKBSSA-N 0 3 491.632 4.546 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000024116148 556122264 /nfs/dbraw/zinc/12/22/64/556122264.db2.gz XQIKAFQWUBITAG-AREMUKBSSA-N 0 3 491.632 4.546 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000016734816 556155961 /nfs/dbraw/zinc/15/59/61/556155961.db2.gz HFQBOICUOAEBEW-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000016734816 556155963 /nfs/dbraw/zinc/15/59/63/556155963.db2.gz HFQBOICUOAEBEW-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751266 556157175 /nfs/dbraw/zinc/15/71/75/556157175.db2.gz GVHABLLXNGGFCC-WINIVTDRSA-N 0 3 498.579 4.942 50 30 JJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016805801 556162125 /nfs/dbraw/zinc/16/21/25/556162125.db2.gz GXDHHXOAOBZZRY-XMMPIXPASA-N 0 3 484.568 4.543 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc21 ZINC000026842374 556264483 /nfs/dbraw/zinc/26/44/83/556264483.db2.gz PIFDZMHBXLXJFU-AREMUKBSSA-N 0 3 486.568 4.531 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316171 569762424 /nfs/dbraw/zinc/76/24/24/569762424.db2.gz KSOPLCLVQOPWPL-JOCHJYFZSA-N 0 3 483.559 4.933 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccs2)cc1C ZINC000102873957 569826271 /nfs/dbraw/zinc/82/62/71/569826271.db2.gz BJRRYFKMQWMHHA-ZHHPLPSFSA-N 0 3 470.635 4.999 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102928575 569827140 /nfs/dbraw/zinc/82/71/40/569827140.db2.gz WQXIIEHMTMRNHW-KXCNXCNDSA-N 0 3 492.616 4.562 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102928571 569827145 /nfs/dbraw/zinc/82/71/45/569827145.db2.gz WQXIIEHMTMRNHW-HUPAGYGUSA-N 0 3 492.616 4.562 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102932996 569828974 /nfs/dbraw/zinc/82/89/74/569828974.db2.gz RCLCUIVTGAYIIP-NPJIAGGLSA-N 0 3 464.606 4.856 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105006874 569849919 /nfs/dbraw/zinc/84/99/19/569849919.db2.gz RQMSSRYXCQMBLU-ISKFKSNPSA-N 0 3 461.606 4.838 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@H]3C1=O)CCCC2 ZINC000238923648 570047825 /nfs/dbraw/zinc/04/78/25/570047825.db2.gz PEKOAXRGSBGSSR-NJDAHSKKSA-N 0 3 479.945 4.796 50 30 JJEAHN C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245330436 570066711 /nfs/dbraw/zinc/06/67/11/570066711.db2.gz YOJQSMOGKGNHNX-LADGPHEKSA-N 0 3 470.679 4.909 50 30 JJEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000012619292 195056163 /nfs/dbraw/zinc/05/61/63/195056163.db2.gz KHOWTJKYGWCMGF-AREMUKBSSA-N 0 3 494.632 4.959 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccnc1 ZINC000102539324 130194175 /nfs/dbraw/zinc/19/41/75/130194175.db2.gz MGOSZCRHEJLXIF-ONQGDUAMSA-N 0 3 499.611 4.733 50 30 JJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccccc3)cc2)c1 ZINC000102711616 130258168 /nfs/dbraw/zinc/25/81/68/130258168.db2.gz VDLVGVXWSVXOTO-ONQGDUAMSA-N 0 3 484.596 4.947 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102890867 130372201 /nfs/dbraw/zinc/37/22/01/130372201.db2.gz XBKBJIUZVQFKDN-SBXHHDGASA-N 0 3 468.569 4.624 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102890867 130372203 /nfs/dbraw/zinc/37/22/03/130372203.db2.gz XBKBJIUZVQFKDN-SBXHHDGASA-N 0 3 468.569 4.624 50 30 JJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c(C)c1 ZINC000102926774 130398855 /nfs/dbraw/zinc/39/88/55/130398855.db2.gz KQFLWAIDUDOONZ-MOBKVPTQSA-N 0 3 456.608 4.609 50 30 JJEAHN C#CCOC[C@@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1 ZINC000036246133 518298751 /nfs/dbraw/zinc/29/87/51/518298751.db2.gz ASNNKAHTNLEGQX-MHZLTWQESA-N 0 3 487.644 4.763 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305061 518300424 /nfs/dbraw/zinc/30/04/24/518300424.db2.gz MNKFWUSRKKJVMK-QFIPXVFZSA-N 0 3 480.008 4.756 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305064 518310497 /nfs/dbraw/zinc/31/04/97/518310497.db2.gz MNKFWUSRKKJVMK-JOCHJYFZSA-N 0 3 480.008 4.756 50 30 JJEAHN C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C ZINC000036309541 518714315 /nfs/dbraw/zinc/71/43/15/518714315.db2.gz DRYQRDKAMSGNRH-ZJSXRUAMSA-N 0 3 456.652 4.599 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036305457 518986423 /nfs/dbraw/zinc/98/64/23/518986423.db2.gz PHHRVNUHEVQDEX-QFIPXVFZSA-N 0 3 465.594 4.662 50 30 JJEAHN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307594 518992385 /nfs/dbraw/zinc/99/23/85/518992385.db2.gz CZCUEAVFPISZQR-JOCHJYFZSA-N 0 3 453.558 4.792 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009066876 519008653 /nfs/dbraw/zinc/00/86/53/519008653.db2.gz PRODFEWTOANZOM-NPJIAGGLSA-N 0 3 462.590 4.748 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020281393 519018558 /nfs/dbraw/zinc/01/85/58/519018558.db2.gz IODGCDNQPPIWDG-VWLOTQADSA-N 0 3 478.589 4.570 50 30 JJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016732515 519020784 /nfs/dbraw/zinc/02/07/84/519020784.db2.gz SODIIVNUCHKYJK-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016732515 519020792 /nfs/dbraw/zinc/02/07/92/519020792.db2.gz SODIIVNUCHKYJK-QHCPKHFHSA-N 0 3 468.981 4.825 50 30 JJEAHN CC(C)(O)C#Cc1ccc(CN2CCC3(C[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012218702 519329536 /nfs/dbraw/zinc/32/95/36/519329536.db2.gz KUAUFLOUYYCFQZ-XMMPIXPASA-N 0 3 484.562 4.746 50 30 JJEAHN CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(Cc3sccc3C)CC2)C1=O ZINC000014986985 519340260 /nfs/dbraw/zinc/34/02/60/519340260.db2.gz DDZILDRBQSWCDD-HHHXNRCGSA-N 0 3 463.647 4.605 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009042469 520326436 /nfs/dbraw/zinc/32/64/36/520326436.db2.gz IBMSTBDXBBZRKO-VWLOTQADSA-N 0 3 480.605 4.793 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000009046595 520650173 /nfs/dbraw/zinc/65/01/73/520650173.db2.gz LRBWUXOMXCSRRP-IUKMQXEJSA-N 0 3 482.596 4.932 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000009046595 520650177 /nfs/dbraw/zinc/65/01/77/520650177.db2.gz LRBWUXOMXCSRRP-IUKMQXEJSA-N 0 3 482.596 4.932 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C)cc1 ZINC000020358313 520655760 /nfs/dbraw/zinc/65/57/60/520655760.db2.gz DRHJKNUFYIPLJY-HSZRJFAPSA-N 0 3 462.546 4.670 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020358363 520656590 /nfs/dbraw/zinc/65/65/90/520656590.db2.gz VKZYKQZFVNZMHU-DEOSSOPVSA-N 0 3 468.569 4.781 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020358363 520656597 /nfs/dbraw/zinc/65/65/97/520656597.db2.gz VKZYKQZFVNZMHU-DEOSSOPVSA-N 0 3 468.569 4.781 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000020392743 520656931 /nfs/dbraw/zinc/65/69/31/520656931.db2.gz DUIIGKHRZOLQMO-DEOSSOPVSA-N 0 3 450.579 4.642 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000020392743 520656939 /nfs/dbraw/zinc/65/69/39/520656939.db2.gz DUIIGKHRZOLQMO-DEOSSOPVSA-N 0 3 450.579 4.642 50 30 JJEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C ZINC000020357490 521590085 /nfs/dbraw/zinc/59/00/85/521590085.db2.gz DPRYADPGUYVWKD-VWLOTQADSA-N 0 3 480.605 4.650 50 30 JJEAHN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000016212869 522917233 /nfs/dbraw/zinc/91/72/33/522917233.db2.gz MSWHFAIYCRZDKD-HSZRJFAPSA-N 0 3 486.634 4.712 50 30 JJEAHN CC[C@H]1CCc2sc(-c3nnc(SCC(=O)C(C#N)c4nc(C)cs4)n3C)cc2C1 ZINC000009515964 523207766 /nfs/dbraw/zinc/20/77/66/523207766.db2.gz UBKBHERMBFXTLB-DZGCQCFKSA-N 0 3 457.650 4.792 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009070504 523551379 /nfs/dbraw/zinc/55/13/79/523551379.db2.gz DBYHHJVVSRBEJC-NRFANRHFSA-N 0 3 477.388 4.840 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009070508 523553249 /nfs/dbraw/zinc/55/32/49/523553249.db2.gz DBYHHJVVSRBEJC-OAQYLSRUSA-N 0 3 477.388 4.840 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1 ZINC000020150184 524054965 /nfs/dbraw/zinc/05/49/65/524054965.db2.gz FLJDYUVRFKGSGM-NRFANRHFSA-N 0 3 483.362 4.725 50 30 JJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)oc21 ZINC000009046606 524256224 /nfs/dbraw/zinc/25/62/24/524256224.db2.gz CEACRKDJZAHIER-SBXHHDGASA-N 0 3 476.573 4.938 50 30 JJEAHN COc1ccccc1-n1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccs1 ZINC000009469807 524302052 /nfs/dbraw/zinc/30/20/52/524302052.db2.gz UEAOTZBXKINDGH-AWEZNQCLSA-N 0 3 467.601 4.738 50 30 JJEAHN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000009070282 524745725 /nfs/dbraw/zinc/74/57/25/524745725.db2.gz MSWICURCZOAXAJ-RUZDIDTESA-N 0 3 480.605 4.568 50 30 JJEAHN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C ZINC000009070280 524801794 /nfs/dbraw/zinc/80/17/94/524801794.db2.gz MSWICURCZOAXAJ-VWLOTQADSA-N 0 3 480.605 4.568 50 30 JJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cc1 ZINC000009354294 525172772 /nfs/dbraw/zinc/17/27/72/525172772.db2.gz JTORLWVMONVVHK-RUZDIDTESA-N 0 3 474.557 4.697 50 30 JJEAHN COc1ccc([C@](C#N)(CCCN2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc1OC ZINC000000638640 553722720 /nfs/dbraw/zinc/72/27/20/553722720.db2.gz KOAMFTIEPGPZSW-MHZLTWQESA-N 0 3 452.595 4.977 50 30 JJEAHN CN(C)C[C@@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@@H](CN(C)C)C1=O)O2 ZINC000001588176 553979867 /nfs/dbraw/zinc/97/98/67/553979867.db2.gz FEHKQTCFKALTRL-HOTGVXAUSA-N 0 3 477.432 4.697 50 30 in-vitro JJEAHN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002422296 554199130 /nfs/dbraw/zinc/19/91/30/554199130.db2.gz HFKLRQMIFPEQAN-HSZRJFAPSA-N 0 3 497.986 4.960 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1OC(C)C ZINC000008743884 554646974 /nfs/dbraw/zinc/64/69/74/554646974.db2.gz YSDNRDHVDLEPJP-HSZRJFAPSA-N 0 3 470.997 4.966 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008818171 554701691 /nfs/dbraw/zinc/70/16/91/554701691.db2.gz ZTRRPSXDFOTZGC-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000013598879 555529747 /nfs/dbraw/zinc/52/97/47/555529747.db2.gz IHSPDDWTPIBENS-XMMPIXPASA-N 0 3 468.569 4.699 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1F ZINC000020057484 555620347 /nfs/dbraw/zinc/62/03/47/555620347.db2.gz RLLURUCXPKOJAG-HSZRJFAPSA-N 0 3 454.542 4.533 50 30 JJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000013800816 555621465 /nfs/dbraw/zinc/62/14/65/555621465.db2.gz KQRUSFVGTYKVKN-LJQANCHMSA-N 0 3 477.786 4.633 50 30 JJEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000020103320 555635599 /nfs/dbraw/zinc/63/55/99/555635599.db2.gz PBIOQYWAPGXTIS-SANMLTNESA-N 0 3 488.559 4.853 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000020129854 555655409 /nfs/dbraw/zinc/65/54/09/555655409.db2.gz VHTKJIGJHIXVIV-QFIPXVFZSA-N 0 3 456.970 4.577 50 30 JJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020150066 555666021 /nfs/dbraw/zinc/66/60/21/555666021.db2.gz SCTRKXLZNFSKJM-QHCPKHFHSA-N 0 3 486.996 4.667 50 30 JJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020228174 555718670 /nfs/dbraw/zinc/71/86/70/555718670.db2.gz OEMLQIQLIMYEQI-JOCHJYFZSA-N 0 3 456.970 4.659 50 30 JJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020264660 555746853 /nfs/dbraw/zinc/74/68/53/555746853.db2.gz XTFQPTZNAIVJNW-QHCPKHFHSA-N 0 3 454.542 4.533 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020264660 555746856 /nfs/dbraw/zinc/74/68/56/555746856.db2.gz XTFQPTZNAIVJNW-QHCPKHFHSA-N 0 3 454.542 4.533 50 30 JJEAHN Cc1ccc(-c2ccc(CCC(=O)NCCN3CCCC3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023429537 556055140 /nfs/dbraw/zinc/05/51/40/556055140.db2.gz WNCLLJUAPMCVQW-UHFFFAOYSA-N 0 3 454.618 4.972 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)cc1C ZINC000024081424 556120705 /nfs/dbraw/zinc/12/07/05/556120705.db2.gz MAFRBQBHFZDTNF-DEOSSOPVSA-N 0 3 466.553 4.619 50 30 JJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024303389 556128761 /nfs/dbraw/zinc/12/87/61/556128761.db2.gz BTBPHUAPTBVOET-XMMPIXPASA-N 0 3 450.579 4.622 50 30 JJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000016729484 556155015 /nfs/dbraw/zinc/15/50/15/556155015.db2.gz KAIGWOLQGPSXRT-HXUWFJFHSA-N 0 3 481.351 4.671 50 30 JJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(OCC)c2)cc1 ZINC000016734459 556155689 /nfs/dbraw/zinc/15/56/89/556155689.db2.gz DSVFTLLJUCRNEN-RUZDIDTESA-N 0 3 478.589 4.570 50 30 JJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc21 ZINC000026842368 556264507 /nfs/dbraw/zinc/26/45/07/556264507.db2.gz PIFDZMHBXLXJFU-SANMLTNESA-N 0 3 486.568 4.531 50 30 JJEAHN C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000032622864 556452751 /nfs/dbraw/zinc/45/27/51/556452751.db2.gz LMXNYHYWURXSCP-JOCHJYFZSA-N 0 3 452.938 4.508 50 30 JJEAHN C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000032622859 556452799 /nfs/dbraw/zinc/45/27/99/556452799.db2.gz SQXLMDKOFLIBHB-DEOSSOPVSA-N 0 3 496.991 4.907 50 30 JJEAHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000061899895 569609296 /nfs/dbraw/zinc/60/92/96/569609296.db2.gz CEHUSIMJNCJASZ-RUZDIDTESA-N 0 3 490.611 4.815 50 30 JJEAHN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036316088 569762135 /nfs/dbraw/zinc/76/21/35/569762135.db2.gz GXFOYWRMPNPJCZ-DEOSSOPVSA-N 0 3 461.606 4.963 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036316399 569762734 /nfs/dbraw/zinc/76/27/34/569762734.db2.gz IYCDYFMWWNABQG-LADGPHEKSA-N 0 3 491.632 4.847 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036316398 569762756 /nfs/dbraw/zinc/76/27/56/569762756.db2.gz IYCDYFMWWNABQG-UPVQGACJSA-N 0 3 491.632 4.847 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036316359 569762792 /nfs/dbraw/zinc/76/27/92/569762792.db2.gz VFJGFJMVARMKLE-XMMPIXPASA-N 0 3 491.632 4.704 50 30 JJEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346787 569770822 /nfs/dbraw/zinc/77/08/22/569770822.db2.gz PDNPOPQJHCLHJM-DEOSSOPVSA-N 0 3 461.606 4.657 50 30 JJEAHN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102168930 569810454 /nfs/dbraw/zinc/81/04/54/569810454.db2.gz QMQCPFGJVMEADE-IUKMQXEJSA-N 0 3 464.606 4.712 50 30 JJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000102175307 569810673 /nfs/dbraw/zinc/81/06/73/569810673.db2.gz ZDJXQCCRZACXEA-SBXHHDGASA-N 0 3 468.569 4.542 50 30 JJEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccccc2)cc1 ZINC000102184432 569810838 /nfs/dbraw/zinc/81/08/38/569810838.db2.gz GRHRDDLVMYFUJB-WXFUMESZSA-N 0 3 485.565 4.558 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccco1)CCCC2 ZINC000102863126 569825210 /nfs/dbraw/zinc/82/52/10/569825210.db2.gz PEKOAXRGSBGSSR-PCCBWWKXSA-N 0 3 479.945 4.796 50 30 JJEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@@H]3C1=O)CCCC2 ZINC000102863126 569825211 /nfs/dbraw/zinc/82/52/11/569825211.db2.gz PEKOAXRGSBGSSR-PCCBWWKXSA-N 0 3 479.945 4.796 50 30 JJEAHN Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@@H]1c1cccs1 ZINC000102863272 569825461 /nfs/dbraw/zinc/82/54/61/569825461.db2.gz ODKVWSKHQDRQMD-FSSWDIPSSA-N 0 3 475.595 4.920 50 30 JJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102928568 569827207 /nfs/dbraw/zinc/82/72/07/569827207.db2.gz WQXIIEHMTMRNHW-ONLXDWTESA-N 0 3 492.616 4.562 50 30 JJEAHN C#CCOC[C@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1 ZINC000104996294 569848812 /nfs/dbraw/zinc/84/88/12/569848812.db2.gz ASNNKAHTNLEGQX-HHHXNRCGSA-N 0 3 487.644 4.763 50 30 JJEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000105011930 569850856 /nfs/dbraw/zinc/85/08/56/569850856.db2.gz JEVVDZCEKWYCSA-ISKFKSNPSA-N 0 3 461.606 4.799 50 30 JJEAHN