smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccco1 ZINC000035361992 557698061 /nfs/dbraw/zinc/69/80/61/557698061.db2.gz QWKUYJQLEKSSJY-QINSGFPZSA-N 0 2 419.349 2.868 40 10 HFCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3O)C2=O)ccc1Br ZINC000408757373 557818316 /nfs/dbraw/zinc/81/83/16/557818316.db2.gz ZAVKJFSNYXPPHC-NTUHNPAUSA-N 0 2 417.215 2.835 40 10 HFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409390574 560718740 /nfs/dbraw/zinc/71/87/40/560718740.db2.gz FXBBAKVFMVYQIY-XDHOZWIPSA-N 0 2 402.410 2.861 40 10 HFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000224138620 569284473 /nfs/dbraw/zinc/28/44/73/569284473.db2.gz PYWMGKWBNJQQHX-MDWZMJQESA-N 0 2 401.762 2.923 40 10 HFCBLN CC1(C)C[C@@H](O)C[C@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000019832588 569430870 /nfs/dbraw/zinc/43/08/70/569430870.db2.gz LMGUPZRPNJYARL-ASPMODFSSA-N 0 2 419.909 2.974 40 10 HFCBLN COc1cc(N2CCCCC2)ccc1/C=C1/C(=O)NC(=O)N(c2cccnc2)C1=O ZINC000015013900 558701145 /nfs/dbraw/zinc/70/11/45/558701145.db2.gz QXRVPCVNVFHDBR-PDGQHHTCSA-N 0 2 406.442 2.747 40 10 HFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)c(O)c1 ZINC000016678426 558799021 /nfs/dbraw/zinc/79/90/21/558799021.db2.gz AJYCDYJAHAGTOS-FOWTUZBSSA-N 0 2 409.442 2.913 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Cl)cc1OC ZINC000409393612 560719514 /nfs/dbraw/zinc/71/95/14/560719514.db2.gz RHOYNRGWOAZPTE-MDWZMJQESA-N 0 2 401.806 2.809 40 10 HFCBLN CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000059417351 568705733 /nfs/dbraw/zinc/70/57/33/568705733.db2.gz BNNLZAISKUAWLJ-RIYZIHGNSA-N 0 2 414.805 2.981 40 10 HFCBLN COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408528280 557296510 /nfs/dbraw/zinc/29/65/10/557296510.db2.gz HGZFHKDWHNKQNL-GXDHUFHOSA-N 0 2 410.386 2.799 40 10 HFCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(C)=O ZINC000408535305 557330793 /nfs/dbraw/zinc/33/07/93/557330793.db2.gz NMTOPLRUUVEQEJ-PTNGSMBKSA-N 0 2 424.409 2.686 40 10 HFCBLN COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408769373 560638955 /nfs/dbraw/zinc/63/89/55/560638955.db2.gz SGMXWARHMLQMMK-GZTJUZNOSA-N 0 2 408.410 2.522 40 10 HFCBLN COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000408786079 560641281 /nfs/dbraw/zinc/64/12/81/560641281.db2.gz LMHLEWXGVLBHLV-WOJGMQOQSA-N 0 2 417.421 2.789 40 10 HFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408815673 560644305 /nfs/dbraw/zinc/64/43/05/560644305.db2.gz XTWHMNJWUWAKKT-MDWZMJQESA-N 0 2 417.215 2.830 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc2c1OCO2 ZINC000408966815 560659230 /nfs/dbraw/zinc/65/92/30/560659230.db2.gz QRHIHOYXFWKKKK-AWNIVKPZSA-N 0 2 400.774 2.744 40 10 HFCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000409108902 560678898 /nfs/dbraw/zinc/67/88/98/560678898.db2.gz YTVHJABGWTXWNM-SFQUDFHCSA-N 0 2 421.453 2.970 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409239173 560699684 /nfs/dbraw/zinc/69/96/84/560699684.db2.gz CHTNQCWOPSYEHA-MDWZMJQESA-N 0 2 416.231 2.909 40 10 HFCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1O ZINC000009259847 132337658 /nfs/dbraw/zinc/33/76/58/132337658.db2.gz FETIYUPFNCDKFC-JYRVWZFOSA-N 0 2 417.215 2.830 40 10 HFCBLN CC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408532074 557310541 /nfs/dbraw/zinc/31/05/41/557310541.db2.gz POICKEAGLMEHOZ-UVTDQMKNSA-N 0 2 424.392 2.643 40 10 HFCBLN CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O ZINC000408903150 560652323 /nfs/dbraw/zinc/65/23/23/560652323.db2.gz QAQSOKBESDHHQH-RIYZIHGNSA-N 0 2 415.333 2.505 40 10 HFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000409093969 560674582 /nfs/dbraw/zinc/67/45/82/560674582.db2.gz CAOFKPKDXLFAIT-HMMYKYKNSA-N 0 2 405.454 2.752 40 10 HFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000409098080 560676255 /nfs/dbraw/zinc/67/62/55/560676255.db2.gz KATAHNSMEYFCGM-XSFVSMFZSA-N 0 2 421.453 2.588 40 10 HFCBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1 ZINC000409392103 560719035 /nfs/dbraw/zinc/71/90/35/560719035.db2.gz LAUKSSSWUPLELC-SFQUDFHCSA-N 0 2 417.377 2.795 40 10 HFCBLN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409392933 560719271 /nfs/dbraw/zinc/71/92/71/560719271.db2.gz OJCSDSVPWAQPTK-GXDHUFHOSA-N 0 2 416.231 2.909 40 10 HFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(I)o2)C1=O ZINC000014132651 560838622 /nfs/dbraw/zinc/83/86/22/560838622.db2.gz WRMCAEHTMMYYRT-DHZHZOJOSA-N 0 2 422.178 2.859 40 10 HFCBLN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc([N+](=O)[O-])c(O)cc1O ZINC000059135799 568701211 /nfs/dbraw/zinc/70/12/11/568701211.db2.gz GANDEFGVLYGEJJ-WEVVVXLNSA-N 0 2 403.347 2.817 40 10 HFCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O ZINC000107566496 569352671 /nfs/dbraw/zinc/35/26/71/569352671.db2.gz ICAYSVPAXLYEFS-BOPFTXTBSA-N 0 2 408.410 2.985 40 10 HFCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(C)=O ZINC000408531856 557308254 /nfs/dbraw/zinc/30/82/54/557308254.db2.gz HJTQJIUJQMFPJL-WJDWOHSUSA-N 0 2 408.410 2.985 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000408801613 560642470 /nfs/dbraw/zinc/64/24/70/560642470.db2.gz UXPWVABAVSWPSQ-XNTDXEJSSA-N 0 2 414.801 2.802 40 10 HFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)cc3)C2=O)cc1 ZINC000408813503 560644925 /nfs/dbraw/zinc/64/49/25/560644925.db2.gz ULAOCNLVBIATNI-QGOAFFKASA-N 0 2 408.410 2.928 40 10 HFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(O)c1 ZINC000408884723 560649755 /nfs/dbraw/zinc/64/97/55/560649755.db2.gz YFGKCLRKSYZMEU-RIYZIHGNSA-N 0 2 417.215 2.830 40 10 HFCBLN COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000408897991 560651582 /nfs/dbraw/zinc/65/15/82/560651582.db2.gz KEQIFZWXVODUMF-OVCLIPMQSA-N 0 2 411.370 2.592 40 10 HFCBLN CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408963340 560658651 /nfs/dbraw/zinc/65/86/51/560658651.db2.gz NHBVTODFBHVOLR-RIYZIHGNSA-N 0 2 413.411 2.530 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 ZINC000409125101 560680863 /nfs/dbraw/zinc/68/08/63/560680863.db2.gz CAQFJOLOSMSCJR-SFQUDFHCSA-N 0 2 409.417 2.637 40 10 HFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)OC(C)C)cc2)C1=O ZINC000409187075 560687928 /nfs/dbraw/zinc/68/79/28/560687928.db2.gz LPSIGNWOYZFUFF-LDADJPATSA-N 0 2 422.437 2.992 40 10 HFCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)c1 ZINC000409193904 560689907 /nfs/dbraw/zinc/68/99/07/560689907.db2.gz HJLPYIGLDIEWMG-YBCYLVPRSA-N 0 2 423.469 2.959 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409214476 560696492 /nfs/dbraw/zinc/69/64/92/560696492.db2.gz XXOBVXQDLXLFKN-LFYBBSHMSA-N 0 2 417.761 2.629 40 10 HFCBLN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 ZINC000409227633 560698220 /nfs/dbraw/zinc/69/82/20/560698220.db2.gz RBSYOGMFMIABOI-GZTJUZNOSA-N 0 2 417.377 2.795 40 10 HFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)o2)C1=O ZINC000409229219 560698407 /nfs/dbraw/zinc/69/84/07/560698407.db2.gz LMGYOBTXRHEWKB-SDNWHVSQSA-N 0 2 415.833 2.744 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1C ZINC000009263178 132337790 /nfs/dbraw/zinc/33/77/90/132337790.db2.gz GJSMORRPIZOXRQ-ZHZULCJRSA-N 0 2 405.454 2.806 40 10 HFCBLN COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC000005879698 557678739 /nfs/dbraw/zinc/67/87/39/557678739.db2.gz QDIILQRBOUSZOZ-WZUFQYTHSA-N 0 2 407.741 2.563 40 10 HFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC)c3)C2=O)cc1 ZINC000408880238 560649353 /nfs/dbraw/zinc/64/93/53/560649353.db2.gz GTLIQFJCMIVYLX-QGOAFFKASA-N 0 2 408.410 2.928 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)cc1 ZINC000409022840 560667082 /nfs/dbraw/zinc/66/70/82/560667082.db2.gz ULBFRSGYZSKSHB-CPNJWEJPSA-N 0 2 403.394 2.858 40 10 HFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000409148145 560683739 /nfs/dbraw/zinc/68/37/39/560683739.db2.gz OTCDAJRLPGBGTC-FOWTUZBSSA-N 0 2 409.417 2.637 40 10 HFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409215162 560696794 /nfs/dbraw/zinc/69/67/94/560696794.db2.gz XRLYENRCZKXGCV-OQLLNIDSSA-N 0 2 424.409 2.879 40 10 HFCBLN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 ZINC000409394358 560719729 /nfs/dbraw/zinc/71/97/29/560719729.db2.gz ZIXJMINZMCHVFD-SFQUDFHCSA-N 0 2 417.377 2.795 40 10 HFCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1O ZINC000059104312 568700315 /nfs/dbraw/zinc/70/03/15/568700315.db2.gz WINWYMAFHFCPEV-LFYBBSHMSA-N 0 2 412.354 2.645 40 10 HFCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNNc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000408529194 557294576 /nfs/dbraw/zinc/29/45/76/557294576.db2.gz HEZQHNJUHNQTCE-MHWRWJLKSA-N 0 2 409.402 2.603 40 10 HFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000408535911 557325497 /nfs/dbraw/zinc/32/54/97/557325497.db2.gz UOYKUHOIGDTHNB-SFQUDFHCSA-N 0 2 408.414 2.682 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OC ZINC000408774930 560639437 /nfs/dbraw/zinc/63/94/37/560639437.db2.gz YYGTVDWRAYKXSS-CXUHLZMHSA-N 0 2 410.426 2.996 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC ZINC000408801685 560642478 /nfs/dbraw/zinc/64/24/78/560642478.db2.gz VFICJVKQBGADBA-OQLLNIDSSA-N 0 2 411.370 2.669 40 10 HFCBLN CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408954020 560657346 /nfs/dbraw/zinc/65/73/46/560657346.db2.gz QWWSFJBCCGUDTR-GOZVUGRMSA-N 0 2 405.410 2.704 40 10 HFCBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408960283 560657780 /nfs/dbraw/zinc/65/77/80/560657780.db2.gz KQWNQCDCEMXEOP-WOJGMQOQSA-N 0 2 419.437 2.990 40 10 HFCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000409202241 560693226 /nfs/dbraw/zinc/69/32/26/560693226.db2.gz QRGGHZCETLMZPB-WUXMJOGZSA-N 0 2 401.762 2.929 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409394102 560719625 /nfs/dbraw/zinc/71/96/25/560719625.db2.gz VQZXZVKYURLNRE-UKTHLTGXSA-N 0 2 416.231 2.909 40 10 HFCBLN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000008859973 571128284 /nfs/dbraw/zinc/12/82/84/571128284.db2.gz DPCMDGLZGJKCSG-UHFFFAOYSA-N 0 2 407.433 2.679 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000408530806 557297633 /nfs/dbraw/zinc/29/76/33/557297633.db2.gz JPCWDPZLGXJWEW-UVTDQMKNSA-N 0 2 401.806 2.936 40 10 HFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c(O)c1 ZINC000408741582 557808448 /nfs/dbraw/zinc/80/84/48/557808448.db2.gz QSPWOPSLQNSZSV-LDADJPATSA-N 0 2 409.442 2.913 40 10 HFCBLN COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc(OC)c1O ZINC000016195054 558777832 /nfs/dbraw/zinc/77/78/32/558777832.db2.gz UZRAXGRVKAVYBW-AWNIVKPZSA-N 0 2 419.231 2.633 40 10 HFCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000016682827 558799704 /nfs/dbraw/zinc/79/97/04/558799704.db2.gz DJZLDKLLKKXKPX-PDGQHHTCSA-N 0 2 408.410 2.603 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000408803287 560642990 /nfs/dbraw/zinc/64/29/90/560642990.db2.gz NGMPCEOGTSFYLG-NTEUORMPSA-N 0 2 414.801 2.802 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000408808010 560643574 /nfs/dbraw/zinc/64/35/74/560643574.db2.gz MAHSICMNCDWWMU-LDADJPATSA-N 0 2 408.410 2.927 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000408951643 560656957 /nfs/dbraw/zinc/65/69/57/560656957.db2.gz JLCIJZXMNICDBM-YLTNESKFSA-N 0 2 407.338 2.546 40 10 HFCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000409239082 560699675 /nfs/dbraw/zinc/69/96/75/560699675.db2.gz GFXBJATWZFFZRO-MKMNVTDBSA-N 0 2 411.215 2.992 40 10 HFCBLN COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000225423222 291222352 /nfs/dbraw/zinc/22/23/52/291222352.db2.gz BMXBFDXYPWCBIO-GOSISDBHSA-N 0 2 417.575 2.943 40 10 biogenic,in-vitro HFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000408535876 557325404 /nfs/dbraw/zinc/32/54/04/557325404.db2.gz UIIOQJMKJFVSGK-UVTDQMKNSA-N 0 2 401.806 2.936 40 10 HFCBLN COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408842807 560646232 /nfs/dbraw/zinc/64/62/32/560646232.db2.gz BRMQVHFZYVJREQ-GZTJUZNOSA-N 0 2 408.410 2.522 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408851851 560646807 /nfs/dbraw/zinc/64/68/07/560646807.db2.gz GRUNGKXHOZXPFH-RIYZIHGNSA-N 0 2 411.370 2.674 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1 ZINC000408882607 560650013 /nfs/dbraw/zinc/65/00/13/560650013.db2.gz PICKFVJXSFCLJZ-LDADJPATSA-N 0 2 416.389 2.998 40 10 HFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000408896994 560651560 /nfs/dbraw/zinc/65/15/60/560651560.db2.gz POGWGHPSLXAKOR-XNTDXEJSSA-N 0 2 414.801 2.889 40 10 HFCBLN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000409066333 560672423 /nfs/dbraw/zinc/67/24/23/560672423.db2.gz BVIPJIFWRMTKGW-XDHOZWIPSA-N 0 2 409.417 2.637 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1C ZINC000409134272 560682189 /nfs/dbraw/zinc/68/21/89/560682189.db2.gz NYVMLNYNRZDAQP-SFQUDFHCSA-N 0 2 423.444 2.946 40 10 HFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000409144734 560684400 /nfs/dbraw/zinc/68/44/00/560684400.db2.gz PQTYNFJQCILONR-GHRIWEEISA-N 0 2 423.444 2.891 40 10 HFCBLN COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc2sc(=O)oc21 ZINC000013635688 560825803 /nfs/dbraw/zinc/82/58/03/560825803.db2.gz OSEZHGNDVGKLNT-LFYBBSHMSA-N 0 2 402.815 2.978 40 10 HFCBLN CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000005333976 557645403 /nfs/dbraw/zinc/64/54/03/557645403.db2.gz ATZWJHWFZCMVIA-VGOFMYFVSA-N 0 2 414.801 2.707 40 10 HFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409390462 560718722 /nfs/dbraw/zinc/71/87/22/560718722.db2.gz FPQOTHHSEQSKDL-LFIBNONCSA-N 0 2 404.338 2.916 40 10 HFCBLN CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000006232515 569033751 /nfs/dbraw/zinc/03/37/51/569033751.db2.gz LMGUPZRPNJYARL-HFHGARRFSA-N 0 2 419.909 2.974 40 10 HFCBLN CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000408537086 557336927 /nfs/dbraw/zinc/33/69/27/557336927.db2.gz UMJIXGOGSLBYGL-PTNGSMBKSA-N 0 2 408.410 2.985 40 10 HFCBLN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=Cc1c(O)[nH]c(=O)[nH]c1=O ZINC000017837565 558828264 /nfs/dbraw/zinc/82/82/64/558828264.db2.gz CSOKROTVCNGJPA-QPJJXVBHSA-N 0 2 415.620 2.535 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1 ZINC000408817586 560644666 /nfs/dbraw/zinc/64/46/66/560644666.db2.gz VWIHEXHQALQKLO-SFQUDFHCSA-N 0 2 408.410 2.927 40 10 HFCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408814238 560645032 /nfs/dbraw/zinc/64/50/32/560645032.db2.gz ONBCKQIBSFMLBL-CXUHLZMHSA-N 0 2 411.370 2.669 40 10 HFCBLN COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000408897990 560651607 /nfs/dbraw/zinc/65/16/07/560651607.db2.gz KEJZSHNCRTVAIF-UKTHLTGXSA-N 0 2 401.762 2.923 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c(OC)c1 ZINC000408961415 560658160 /nfs/dbraw/zinc/65/81/60/560658160.db2.gz SRWCBTVYHOSYDV-QGOAFFKASA-N 0 2 421.453 2.970 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000409147070 560683578 /nfs/dbraw/zinc/68/35/78/560683578.db2.gz URWXTYXCKYLWFH-SFQUDFHCSA-N 0 2 409.417 2.637 40 10 HFCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000409217612 560697577 /nfs/dbraw/zinc/69/75/77/560697577.db2.gz QTIYBMRFICUHDA-QGOAFFKASA-N 0 2 406.398 2.861 40 10 HFCBLN CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409229551 560698542 /nfs/dbraw/zinc/69/85/42/560698542.db2.gz QYBJEMZUDNLGIW-JYRVWZFOSA-N 0 2 415.247 2.577 40 10 HFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 ZINC000009260134 132337773 /nfs/dbraw/zinc/33/77/73/132337773.db2.gz XHEFHKMTAPAFBL-PDGQHHTCSA-N 0 2 423.444 2.946 40 10 HFCBLN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408901745 560651460 /nfs/dbraw/zinc/65/14/60/560651460.db2.gz ZQWPATHZDRLMGT-CXUHLZMHSA-N 0 2 410.426 2.996 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408902102 560651577 /nfs/dbraw/zinc/65/15/77/560651577.db2.gz GDAXNPRGTXTCOI-NTUHNPAUSA-N 0 2 415.333 2.505 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OCC)c1 ZINC000408957044 560657850 /nfs/dbraw/zinc/65/78/50/560657850.db2.gz ZVTGLPSOWLMWMY-CXUHLZMHSA-N 0 2 424.409 2.879 40 10 HFCBLN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409185185 560688917 /nfs/dbraw/zinc/68/89/17/560688917.db2.gz TZCQRRHCOPOLAK-LDADJPATSA-N 0 2 408.410 2.683 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000409215589 560696979 /nfs/dbraw/zinc/69/69/79/560696979.db2.gz BWVDHYRYYRYFBT-XMHGGMMESA-N 0 2 419.437 2.740 40 10 HFCBLN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O ZINC000409230028 560700029 /nfs/dbraw/zinc/70/00/29/560700029.db2.gz AVPBSBXZEFLQSK-NTEUORMPSA-N 0 2 416.231 2.909 40 10 HFCBLN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409395355 560721054 /nfs/dbraw/zinc/72/10/54/560721054.db2.gz MQHMNQNOVJGFBG-QGOAFFKASA-N 0 2 406.442 2.747 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccccc1N1CCOCC1 ZINC000059104595 568700587 /nfs/dbraw/zinc/70/05/87/568700587.db2.gz WLSJFVLMSXWEOS-WJDWOHSUSA-N 0 2 421.409 2.759 40 10 HFCBLN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc([N+](=O)[O-])c1O ZINC000038173442 569360796 /nfs/dbraw/zinc/36/07/96/569360796.db2.gz JKPCTLXVUKLPMJ-WUXMJOGZSA-N 0 2 401.331 2.794 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC ZINC000408766755 560630051 /nfs/dbraw/zinc/63/00/51/560630051.db2.gz GBKBEWIZCYNZSC-CXUHLZMHSA-N 0 2 410.426 2.996 40 10 HFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408945090 560656527 /nfs/dbraw/zinc/65/65/27/560656527.db2.gz VVMOSMQQSGVJBU-MDWZMJQESA-N 0 2 401.762 2.923 40 10 HFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1 ZINC000408982119 560661106 /nfs/dbraw/zinc/66/11/06/560661106.db2.gz GACSCUITSIIBJL-DHDCSXOGSA-N 0 2 411.370 2.538 40 10 HFCBLN CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409396029 560721175 /nfs/dbraw/zinc/72/11/75/560721175.db2.gz VNHUIWSCQCZQBK-LCYFTJDESA-N 0 2 415.247 2.577 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(I)o3)C2=O)c1 ZINC000001202379 132242154 /nfs/dbraw/zinc/24/21/54/132242154.db2.gz WGOUPSQLFOHMFV-XYOKQWHBSA-N 0 2 422.178 2.859 40 10 HFCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000408813751 560644912 /nfs/dbraw/zinc/64/49/12/560644912.db2.gz YLADCOZJELHSDS-QGOAFFKASA-N 0 2 408.410 2.928 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)cs1 ZINC000408955172 560657469 /nfs/dbraw/zinc/65/74/69/560657469.db2.gz TUYJLSOLHMVFMT-VZUCSPMQSA-N 0 2 421.228 2.906 40 10 HFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000409105004 560677395 /nfs/dbraw/zinc/67/73/95/560677395.db2.gz HLDRNNFXSPIHBE-XDJHFCHBSA-N 0 2 405.454 2.752 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1 ZINC000409186342 560689032 /nfs/dbraw/zinc/68/90/32/560689032.db2.gz ARQCXXINAIAPGO-XDHOZWIPSA-N 0 2 422.437 2.992 40 10 HFCBLN CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000019832589 569430926 /nfs/dbraw/zinc/43/09/26/569430926.db2.gz LMGUPZRPNJYARL-QUJIEGTPSA-N 0 2 419.909 2.974 40 10 HFCBLN CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 ZINC000001183985 557232685 /nfs/dbraw/zinc/23/26/85/557232685.db2.gz PQUWTLKTCRGHCP-LCYFTJDESA-N 0 2 404.220 2.775 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)=O ZINC000408778602 560640800 /nfs/dbraw/zinc/64/08/00/560640800.db2.gz IGOGLRIXGBBNEK-LICLKQGHSA-N 0 2 408.410 2.904 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408805959 560643356 /nfs/dbraw/zinc/64/33/56/560643356.db2.gz DASNXCKTPMQMQT-OQLLNIDSSA-N 0 2 411.370 2.669 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(Br)c1 ZINC000408951935 560657440 /nfs/dbraw/zinc/65/74/40/560657440.db2.gz MXOSBOHDYDFSHD-NTUHNPAUSA-N 0 2 415.199 2.844 40 10 HFCBLN CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1OC ZINC000108193661 569353486 /nfs/dbraw/zinc/35/34/86/569353486.db2.gz NSVYSLGCGHTRDK-KAMYIIQDSA-N 0 2 424.409 2.686 40 10 HFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(C)c(C)c([N+](=O)[O-])c2)C1=O ZINC000408528989 557293982 /nfs/dbraw/zinc/29/39/82/557293982.db2.gz GPPMPUHCACXLBC-GXDHUFHOSA-N 0 2 410.386 2.799 40 10 HFCBLN CC1=NN(c2cccc(C)c2)C(=O)C1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408536706 557334389 /nfs/dbraw/zinc/33/43/89/557334389.db2.gz XLZDRSFQMBRRMK-PTNGSMBKSA-N 0 2 420.429 2.812 40 10 HFCBLN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=Cc1c(O)[nH]c(=O)[nH]c1=O ZINC000100947789 559142174 /nfs/dbraw/zinc/14/21/74/559142174.db2.gz CSOKROTVCNGJPA-DAXSKMNVSA-N 0 2 415.620 2.535 40 10 HFCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)c(OC)cc1Cl ZINC000408785422 560641487 /nfs/dbraw/zinc/64/14/87/560641487.db2.gz ZFNBXFRUMZRRCN-KPKJPENVSA-N 0 2 402.790 2.729 40 10 HFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC)C2=O)cc1 ZINC000408801572 560642451 /nfs/dbraw/zinc/64/24/51/560642451.db2.gz VYRNNLFXHDAIPE-GHRIWEEISA-N 0 2 408.410 2.928 40 10 HFCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408805195 560643296 /nfs/dbraw/zinc/64/32/96/560643296.db2.gz JMAQPRZUOPBXNK-NTEUORMPSA-N 0 2 417.215 2.830 40 10 HFCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000409208927 560692008 /nfs/dbraw/zinc/69/20/08/560692008.db2.gz DISLZGDJXDVAFT-LDADJPATSA-N 0 2 406.398 2.861 40 10 HFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409389518 560720467 /nfs/dbraw/zinc/72/04/67/560720467.db2.gz BTUGQXAFAPYUGT-WJDWOHSUSA-N 0 2 404.338 2.916 40 10 HFCBLN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000033345497 568696729 /nfs/dbraw/zinc/69/67/29/568696729.db2.gz YNAQXOYOKJXDQD-MDWZMJQESA-N 0 2 404.176 2.524 40 10 HFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNC(=S)Nc2ccc(C)cc2C)C1=O ZINC000408536305 557329359 /nfs/dbraw/zinc/32/93/59/557329359.db2.gz WAZBKCZNOCROAY-SDNWHVSQSA-N 0 2 424.482 2.765 40 10 HFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 ZINC000408770806 560638677 /nfs/dbraw/zinc/63/86/77/560638677.db2.gz AVNHSBZRESGMBH-NSIKDUERSA-N 0 2 409.354 2.607 40 10 HFCBLN COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408780487 560640985 /nfs/dbraw/zinc/64/09/85/560640985.db2.gz ZQXJSDDOAWVVLE-XNTDXEJSSA-N 0 2 414.801 2.558 40 10 HFCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408784018 560641231 /nfs/dbraw/zinc/64/12/31/560641231.db2.gz RMLAOQOPKQTRQI-MHWRWJLKSA-N 0 2 414.801 2.558 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC ZINC000408809508 560643846 /nfs/dbraw/zinc/64/38/46/560643846.db2.gz HILQWAOLHCEFGX-NTUHNPAUSA-N 0 2 402.790 2.729 40 10 HFCBLN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)cc(OC)c1O ZINC000408815433 560644288 /nfs/dbraw/zinc/64/42/88/560644288.db2.gz HRHWYRRGOAKAFA-LBPRGKRZSA-N 0 2 401.282 2.519 40 10 HFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000409203073 560693617 /nfs/dbraw/zinc/69/36/17/560693617.db2.gz UXUWZVBRAQAJFL-YRNVUSSQSA-N 0 2 401.762 2.929 40 10 HFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409392822 560719262 /nfs/dbraw/zinc/71/92/62/560719262.db2.gz NUFCSDWUABSSEJ-PTNGSMBKSA-N 0 2 404.338 2.916 40 10 HFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409394095 560719579 /nfs/dbraw/zinc/71/95/79/560719579.db2.gz VOQJJHXJMDYSTC-WOJGMQOQSA-N 0 2 401.426 2.859 40 10 HFCBLN CCOC(=O)c1ccc(-n2c(C)cc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c2C)cc1 ZINC000108253124 569353478 /nfs/dbraw/zinc/35/34/78/569353478.db2.gz XGPOKCMWIHFMQI-JXMROGBWSA-N 0 2 424.413 2.726 40 10 HFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3OC)C2=O)cc1 ZINC000005652834 132307301 /nfs/dbraw/zinc/30/73/01/132307301.db2.gz YGKQYDQMXDUPFT-YBEGLDIGSA-N 0 2 411.370 2.669 40 10 HFCBLN COc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408528936 557294017 /nfs/dbraw/zinc/29/40/17/557294017.db2.gz GKKVKVIANDSXQK-GZTJUZNOSA-N 0 2 408.414 2.600 40 10 HFCBLN Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(N)nc3N)cc2)c1C ZINC000104091241 559157946 /nfs/dbraw/zinc/15/79/46/559157946.db2.gz DBAASMYBIXCABR-FCQUAONHSA-N 0 2 402.440 2.649 40 10 HFCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC000408901302 560651264 /nfs/dbraw/zinc/65/12/64/560651264.db2.gz WZXUDSWFSYCDBE-GZTJUZNOSA-N 0 2 410.426 2.996 40 10 HFCBLN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408915584 560654183 /nfs/dbraw/zinc/65/41/83/560654183.db2.gz YFAILYTZTMCEMS-VGOFMYFVSA-N 0 2 400.362 2.518 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1Br ZINC000408948261 560657124 /nfs/dbraw/zinc/65/71/24/560657124.db2.gz FEZHKERYUVEZCB-KPKJPENVSA-N 0 2 415.199 2.844 40 10 HFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)=O)c(OC)c3)C2=O)cc1 ZINC000408981660 560661028 /nfs/dbraw/zinc/66/10/28/560661028.db2.gz CGEYZRAVJCJSOD-BOPFTXTBSA-N 0 2 408.410 2.849 40 10 HFCBLN COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000107920697 569361069 /nfs/dbraw/zinc/36/10/69/569361069.db2.gz MFUJHAMCUGCXQY-JYRVWZFOSA-N 0 2 418.203 2.827 40 10 HFCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408809365 560643862 /nfs/dbraw/zinc/64/38/62/560643862.db2.gz RMGOBIZOWHNGDE-GZTJUZNOSA-N 0 2 424.409 2.547 40 10 HFCBLN CN(C)c1oc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000408850294 560647222 /nfs/dbraw/zinc/64/72/22/560647222.db2.gz KMHPTVCBGFQDLH-KPKJPENVSA-N 0 2 422.210 2.914 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)=O ZINC000408851129 560647265 /nfs/dbraw/zinc/64/72/65/560647265.db2.gz IUDCGENGISVKHZ-LICLKQGHSA-N 0 2 408.410 2.904 40 10 HFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(OC)c3)C2=O)cc1 ZINC000408885295 560649950 /nfs/dbraw/zinc/64/99/50/560649950.db2.gz YZOLLRUIQGGFEI-CXUHLZMHSA-N 0 2 414.801 2.802 40 10 HFCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408912284 560652521 /nfs/dbraw/zinc/65/25/21/560652521.db2.gz DXMPSXVLZHHGQK-WUXMJOGZSA-N 0 2 405.179 2.960 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1Cl ZINC000408989936 560662108 /nfs/dbraw/zinc/66/21/08/560662108.db2.gz VQRHLOMVIFJRIP-PTNGSMBKSA-N 0 2 415.833 2.744 40 10 HFCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409201227 560692929 /nfs/dbraw/zinc/69/29/29/560692929.db2.gz KRTBKSPVMAOSTN-YRNVUSSQSA-N 0 2 406.148 2.617 40 10 HFCBLN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2c1 ZINC000409394122 560719639 /nfs/dbraw/zinc/71/96/39/560719639.db2.gz VYVMPXOGGKKFKG-LDADJPATSA-N 0 2 403.394 2.918 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC ZINC000409394284 560719695 /nfs/dbraw/zinc/71/96/95/560719695.db2.gz YCRBYRSSXLUZFB-MDWZMJQESA-N 0 2 401.806 2.809 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000101653093 569015308 /nfs/dbraw/zinc/01/53/08/569015308.db2.gz HKWUOWBHNOTEEL-NTEUORMPSA-N 0 2 413.817 2.634 40 10 HFCBLN CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000006232549 569033748 /nfs/dbraw/zinc/03/37/48/569033748.db2.gz LMGUPZRPNJYARL-XVPPVNSVSA-N 0 2 419.909 2.974 40 10 HFCBLN COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033793260 569360428 /nfs/dbraw/zinc/36/04/28/569360428.db2.gz CTMZDPPJUGXINE-GHXNOFRVSA-N 0 2 418.203 2.827 40 10 HFCBLN CC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000108175484 569361190 /nfs/dbraw/zinc/36/11/90/569361190.db2.gz PVFROCTZBOPSLP-ZROIWOOFSA-N 0 2 401.216 2.836 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000005552697 132306805 /nfs/dbraw/zinc/30/68/05/132306805.db2.gz SBJHTEVHNPUYFL-GZTJUZNOSA-N 0 2 405.410 2.682 40 10 HFCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N(C)C)cc3)C2=O)c(C)c1 ZINC000408529811 557296008 /nfs/dbraw/zinc/29/60/08/557296008.db2.gz IBYVPUZENPXSER-LDADJPATSA-N 0 2 420.469 2.892 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000408739610 557805380 /nfs/dbraw/zinc/80/53/80/557805380.db2.gz CZQBAJQQIIOQMI-MDWZMJQESA-N 0 2 417.215 2.830 40 10 HFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(I)cc1 ZINC000408742032 557808900 /nfs/dbraw/zinc/80/89/00/557808900.db2.gz UKXJVWPIGRALTE-GXDHUFHOSA-N 0 2 418.190 2.958 40 10 HFCBLN CNS(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000100931036 559141892 /nfs/dbraw/zinc/14/18/92/559141892.db2.gz RROSEYAWPRKHTQ-GZTJUZNOSA-N 0 2 404.879 2.967 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408815162 560645147 /nfs/dbraw/zinc/64/51/47/560645147.db2.gz QMLCCHQNKZDVQC-LFIBNONCSA-N 0 2 424.409 2.547 40 10 HFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3N3CCOCC3)C2=O)c1 ZINC000408898888 560651719 /nfs/dbraw/zinc/65/17/19/560651719.db2.gz NBYBVWZQCWIHNQ-RGEXLXHISA-N 0 2 405.454 2.806 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC ZINC000408937788 560656418 /nfs/dbraw/zinc/65/64/18/560656418.db2.gz OUPBKYJZKQLSNH-XNTDXEJSSA-N 0 2 411.370 2.669 40 10 HFCBLN CCOC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408987217 560661735 /nfs/dbraw/zinc/66/17/35/560661735.db2.gz FDHXWNWFWOYSEJ-AQTBWJFISA-N 0 2 422.437 2.857 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1 ZINC000409075882 560672976 /nfs/dbraw/zinc/67/29/76/560672976.db2.gz YWQINERKGXSHNN-XSFVSMFZSA-N 0 2 405.454 2.806 40 10 HFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000409131313 560680472 /nfs/dbraw/zinc/68/04/72/560680472.db2.gz VKPXDCKZAKQEFK-QGOAFFKASA-N 0 2 423.444 2.891 40 10 HFCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)c1 ZINC000409193903 560689885 /nfs/dbraw/zinc/68/98/85/560689885.db2.gz HJLPYIGLDIEWMG-ATASCALFSA-N 0 2 423.469 2.959 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000009264422 132337792 /nfs/dbraw/zinc/33/77/92/132337792.db2.gz XRPHWIQQRLSBCL-BOPFTXTBSA-N 0 2 401.378 2.872 40 10 HFCBLN CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000408901339 560651293 /nfs/dbraw/zinc/65/12/93/560651293.db2.gz XHJKUPHZVUNCQQ-OQLLNIDSSA-N 0 2 411.370 2.674 40 10 HFCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408948401 560657075 /nfs/dbraw/zinc/65/70/75/560657075.db2.gz FZWLPZWDUFYDMD-NTUHNPAUSA-N 0 2 400.774 2.744 40 10 HFCBLN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000409106626 560678609 /nfs/dbraw/zinc/67/86/09/560678609.db2.gz OILSQYCAQDBYNL-XMHGGMMESA-N 0 2 405.454 2.806 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1C ZINC000409146456 560684636 /nfs/dbraw/zinc/68/46/36/560684636.db2.gz SRJHFUMNEWWCCV-LDADJPATSA-N 0 2 423.444 2.946 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1 ZINC000409187887 560688018 /nfs/dbraw/zinc/68/80/18/560688018.db2.gz VPULZMMXKLMZRP-XDHOZWIPSA-N 0 2 422.437 2.992 40 10 HFCBLN COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000006422578 560742156 /nfs/dbraw/zinc/74/21/56/560742156.db2.gz UCCZRLOXXXSVKA-GZTJUZNOSA-N 0 2 417.421 2.789 40 10 HFCBLN CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408530743 557297298 /nfs/dbraw/zinc/29/72/98/557297298.db2.gz FSHVHUQQKROBRQ-WJDWOHSUSA-N 0 2 424.409 2.686 40 10 HFCBLN CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408532622 557315035 /nfs/dbraw/zinc/31/50/35/557315035.db2.gz IPMSOWSBSQRKIO-WJDWOHSUSA-N 0 2 408.410 2.985 40 10 HFCBLN Cc1ccc(N2NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl ZINC000005547183 557660726 /nfs/dbraw/zinc/66/07/26/557660726.db2.gz RKCOYYSPCQGKNT-QCDXTXTGSA-N 0 2 401.762 2.747 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC ZINC000408818256 560644787 /nfs/dbraw/zinc/64/47/87/560644787.db2.gz VAGDBGRFLGNVJB-LFIBNONCSA-N 0 2 424.409 2.547 40 10 HFCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408986545 560661757 /nfs/dbraw/zinc/66/17/57/560661757.db2.gz MWRIAUQRESAHES-UYRXBGFRSA-N 0 2 422.437 2.857 40 10 HFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000409237717 560699366 /nfs/dbraw/zinc/69/93/66/560699366.db2.gz LEFSUPOYJHGDPZ-QGOAFFKASA-N 0 2 421.453 2.507 40 10 HFCBLN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409391531 560718962 /nfs/dbraw/zinc/71/89/62/560718962.db2.gz INATZIZYIRLTGF-MDWZMJQESA-N 0 2 401.806 2.809 40 10 HFCBLN O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccco1 ZINC000106340705 569360929 /nfs/dbraw/zinc/36/09/29/569360929.db2.gz HFPQJRJRFUIKKF-VBKFSLOCSA-N 0 2 419.349 2.868 40 10 HFCBLN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc([N+](=O)[O-])c1O ZINC000041107957 521943526 /nfs/dbraw/zinc/94/35/26/521943526.db2.gz GTTQBUSZHWYOHT-FLHGRMRGSA-N 0 2 423.410 2.976 40 10 HFCBLN CCc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O ZINC000408527104 557288962 /nfs/dbraw/zinc/28/89/62/557288962.db2.gz FABMWMIGLMXZGZ-SDNWHVSQSA-N 0 2 410.386 2.745 40 10 HFCBLN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408527510 557290125 /nfs/dbraw/zinc/29/01/25/557290125.db2.gz FXYZSXSGZOVCHW-PTNGSMBKSA-N 0 2 420.429 2.812 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OC ZINC000408914152 560653778 /nfs/dbraw/zinc/65/37/78/560653778.db2.gz XICWQBIAZKJHKW-VGOFMYFVSA-N 0 2 400.362 2.518 40 10 HFCBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1 ZINC000409240002 560699979 /nfs/dbraw/zinc/69/99/79/560699979.db2.gz IXRVUHBHZQJQGD-GZTJUZNOSA-N 0 2 417.377 2.795 40 10 HFCBLN CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033446774 569360159 /nfs/dbraw/zinc/36/01/59/569360159.db2.gz ZWQBBGVGXRHJHO-QPEQYQDCSA-N 0 2 401.762 2.635 40 10 HFCBLN Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(N)nc3N)cc2)c1C ZINC000018086990 558830782 /nfs/dbraw/zinc/83/07/82/558830782.db2.gz DBAASMYBIXCABR-GHVJWSGMSA-N 0 2 402.440 2.649 40 10 HFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C ZINC000408842724 560646218 /nfs/dbraw/zinc/64/62/18/560646218.db2.gz AVQFBAVDKKQVFE-NSIKDUERSA-N 0 2 409.354 2.607 40 10 HFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000408881251 560649926 /nfs/dbraw/zinc/64/99/26/560649926.db2.gz KMBVLZGUFOJDSK-NTEUORMPSA-N 0 2 414.801 2.889 40 10 HFCBLN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408904886 560651764 /nfs/dbraw/zinc/65/17/64/560651764.db2.gz PZRAQJMWMZGGGG-NTEUORMPSA-N 0 2 413.411 2.530 40 10 HFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408911087 560653242 /nfs/dbraw/zinc/65/32/42/560653242.db2.gz MVYOIAGNSRQGGN-AWNIVKPZSA-N 0 2 415.333 2.505 40 10 HFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3OCC)OCO4)C2=O)c1 ZINC000409118070 560679175 /nfs/dbraw/zinc/67/91/75/560679175.db2.gz OSZLRGAMJKNLGQ-PXNMLYILSA-N 0 2 424.409 2.879 40 10 HFCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409392987 560719267 /nfs/dbraw/zinc/71/92/67/560719267.db2.gz ONORAAQYQZWHBY-UKTHLTGXSA-N 0 2 402.204 2.519 40 10 HFCBLN CC1=NN(c2ccccc2)C(=O)C1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408529013 557293945 /nfs/dbraw/zinc/29/39/45/557293945.db2.gz GTIVUAOSJFRJCR-KAMYIIQDSA-N 0 2 406.402 2.504 40 10 HFCBLN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408723404 557774519 /nfs/dbraw/zinc/77/45/19/557774519.db2.gz UBNDLXSAJHZPTD-WUXMJOGZSA-N 0 2 403.803 2.785 40 10 HFCBLN Cc1coc(NS(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)c1C ZINC000017021123 558812089 /nfs/dbraw/zinc/81/20/89/558812089.db2.gz QYFWSBZEFADNKI-QURGRASLSA-N 0 2 403.424 2.773 40 10 HFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCCc1nc2ccccc2[nH]1 ZINC000019691336 558960786 /nfs/dbraw/zinc/96/07/86/558960786.db2.gz MJRFOHGWSQXBGL-QINSGFPZSA-N 0 2 423.860 2.905 40 10 HFCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)c(OC)cc1Cl ZINC000408768357 560638805 /nfs/dbraw/zinc/63/88/05/560638805.db2.gz WMDBJPLOBINKHZ-YRNVUSSQSA-N 0 2 402.790 2.729 40 10 HFCBLN CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408782343 560641131 /nfs/dbraw/zinc/64/11/31/560641131.db2.gz HDNLJXHJXOEDJV-LDADJPATSA-N 0 2 422.437 2.912 40 10 HFCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408875795 560649302 /nfs/dbraw/zinc/64/93/02/560649302.db2.gz KZZBJILUOBKXEX-OVCLIPMQSA-N 0 2 417.215 2.830 40 10 HFCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408880504 560649344 /nfs/dbraw/zinc/64/93/44/560649344.db2.gz JMARMEAZIASEBE-VIZOYTHASA-N 0 2 401.762 2.923 40 10 HFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1 ZINC000408895308 560650693 /nfs/dbraw/zinc/65/06/93/560650693.db2.gz DWVXBFHXPUIBPO-LGMDPLHJSA-N 0 2 411.845 2.843 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408944402 560656513 /nfs/dbraw/zinc/65/65/13/560656513.db2.gz UPVQKWYIFIDPOH-XNTDXEJSSA-N 0 2 411.370 2.669 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1 ZINC000409067081 560672485 /nfs/dbraw/zinc/67/24/85/560672485.db2.gz PBAZDTAKOHAOMX-XSFVSMFZSA-N 0 2 421.453 2.507 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1C ZINC000409103926 560675571 /nfs/dbraw/zinc/67/55/71/560675571.db2.gz HRXNGHMUNUMTRR-XMHGGMMESA-N 0 2 405.454 2.806 40 10 HFCBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409389947 560720670 /nfs/dbraw/zinc/72/06/70/560720670.db2.gz CZPQXCPBWDFGGF-MDWZMJQESA-N 0 2 401.806 2.809 40 10 HFCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000059502705 568957299 /nfs/dbraw/zinc/95/72/99/568957299.db2.gz PYWMGKWBNJQQHX-JYRVWZFOSA-N 0 2 401.762 2.923 40 10 HFCBLN CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1OC ZINC000408534892 557324615 /nfs/dbraw/zinc/32/46/15/557324615.db2.gz MVKCMYTWSCSRPO-YBEGLDIGSA-N 0 2 424.409 2.686 40 10 HFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1O ZINC000408535450 557332412 /nfs/dbraw/zinc/33/24/12/557332412.db2.gz STAITUWULCYUSL-CSKARUKUSA-N 0 2 402.750 2.533 40 10 HFCBLN CN(C)C(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408535565 557333243 /nfs/dbraw/zinc/33/32/43/557333243.db2.gz YWFZFKVOBHEUHH-SDNWHVSQSA-N 0 2 412.833 2.621 40 10 HFCBLN COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1O ZINC000408739931 557805716 /nfs/dbraw/zinc/80/57/16/557805716.db2.gz GTNRJONDIINXKM-JYRVWZFOSA-N 0 2 417.215 2.830 40 10 HFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000004949854 560617111 /nfs/dbraw/zinc/61/71/11/560617111.db2.gz AUCQJJVQRSYGJX-RAXLEYEMSA-N 0 2 411.370 2.669 40 10 HFCBLN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)cc(OC)c1O ZINC000408815421 560644257 /nfs/dbraw/zinc/64/42/57/560644257.db2.gz HRHWYRRGOAKAFA-GFCCVEGCSA-N 0 2 401.282 2.519 40 10 HFCBLN COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 ZINC000408963452 560658770 /nfs/dbraw/zinc/65/87/70/560658770.db2.gz BRGIOVUYCMESKH-AWNIVKPZSA-N 0 2 400.774 2.744 40 10 HFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000409393643 560719511 /nfs/dbraw/zinc/71/95/11/560719511.db2.gz RSRZFRWAIPTEEZ-VGOFMYFVSA-N 0 2 411.215 2.992 40 10 HFCBLN Cc1coc(NS(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)c1C ZINC000104090624 559157834 /nfs/dbraw/zinc/15/78/34/559157834.db2.gz QYFWSBZEFADNKI-DQRAZIAOSA-N 0 2 403.424 2.773 40 10 HFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408805342 560643364 /nfs/dbraw/zinc/64/33/64/560643364.db2.gz AGYUJDAIMMNNNG-NTUHNPAUSA-N 0 2 401.762 2.923 40 10 HFCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408805348 560643417 /nfs/dbraw/zinc/64/34/17/560643417.db2.gz AITKYTPLPQRUSJ-GHRIWEEISA-N 0 2 408.410 2.928 40 10 HFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OC(C)C ZINC000408953926 560657355 /nfs/dbraw/zinc/65/73/55/560657355.db2.gz QNYKVHYLWVQGBP-OQLLNIDSSA-N 0 2 424.409 2.878 40 10 HFCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409202035 560693245 /nfs/dbraw/zinc/69/32/45/560693245.db2.gz NWZHARHUZVZYDN-YRNVUSSQSA-N 0 2 406.148 2.617 40 10 HFCBLN CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3OCC)C1=O)OCO2 ZINC000409249550 560701961 /nfs/dbraw/zinc/70/19/61/560701961.db2.gz USTOUJXLOYIYRE-NTEUORMPSA-N 0 2 424.409 2.879 40 10 HFCBLN COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000003038724 568846113 /nfs/dbraw/zinc/84/61/13/568846113.db2.gz SMBJNGZIBWCWOU-NTEUORMPSA-N 0 2 418.203 2.827 40 10 HFCBLN CC(=O)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000033475527 569360172 /nfs/dbraw/zinc/36/01/72/569360172.db2.gz GWZYILHVXHUVPM-ZSOIEALJSA-N 0 2 401.762 2.635 40 10 HFCBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408755290 557817289 /nfs/dbraw/zinc/81/72/89/557817289.db2.gz DDGWJBMAPFDADD-GHXNOFRVSA-N 0 2 418.251 2.676 40 10 HFCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cn3)C2=O)c1 ZINC000013126101 558518589 /nfs/dbraw/zinc/51/85/89/558518589.db2.gz VPAVQQFDSVGRKS-LCYFTJDESA-N 0 2 401.220 2.731 40 10 HFCBLN CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O ZINC000408915510 560654141 /nfs/dbraw/zinc/65/41/41/560654141.db2.gz WPEMJAVBNYXXEA-VGOFMYFVSA-N 0 2 415.333 2.505 40 10 HFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3OCC)OCO4)C2=O)cc1 ZINC000409106415 560678543 /nfs/dbraw/zinc/67/85/43/560678543.db2.gz RSNOFCJEPFMBHB-SXGWCWSVSA-N 0 2 424.409 2.879 40 10 HFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Br)cn2)C1=O ZINC000408530993 557300358 /nfs/dbraw/zinc/30/03/58/557300358.db2.gz JZJRNDVWEXVZRR-FMIVXFBMSA-N 0 2 401.220 2.731 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000408740289 557806116 /nfs/dbraw/zinc/80/61/16/557806116.db2.gz JVEMYQRQHSIPFG-NTEUORMPSA-N 0 2 401.762 2.923 40 10 HFCBLN Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)c1C ZINC000104091253 559157908 /nfs/dbraw/zinc/15/79/08/559157908.db2.gz ORBJEGHZJULAIB-MRCUWXFGSA-N 0 2 404.408 2.896 40 10 HFCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000408775972 560639049 /nfs/dbraw/zinc/63/90/49/560639049.db2.gz LJYGFMWYBVTKOD-WOJGMQOQSA-N 0 2 408.410 2.522 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O ZINC000408785006 560641376 /nfs/dbraw/zinc/64/13/76/560641376.db2.gz FGZGHIKDPWYPAO-OQLLNIDSSA-N 0 2 414.801 2.940 40 10 HFCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408855515 560647740 /nfs/dbraw/zinc/64/77/40/560647740.db2.gz NRHIHQHCDHKYRN-WOJGMQOQSA-N 0 2 408.410 2.522 40 10 HFCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(OC)c1 ZINC000408912981 560652820 /nfs/dbraw/zinc/65/28/20/560652820.db2.gz JEFJOWFZYPOQCZ-XNTDXEJSSA-N 0 2 400.362 2.518 40 10 HFCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 ZINC000408935682 560655902 /nfs/dbraw/zinc/65/59/02/560655902.db2.gz IMQCPVQVABWIAB-AQTBWJFISA-N 0 2 408.410 2.928 40 10 HFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408981794 560661008 /nfs/dbraw/zinc/66/10/08/560661008.db2.gz BYPLPPOUKOVLRN-ZSOIEALJSA-N 0 2 411.370 2.538 40 10 HFCBLN COc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)sc2c1 ZINC000100947700 571309374 /nfs/dbraw/zinc/30/93/74/571309374.db2.gz ILKXUTWDPBFTKL-XNTDXEJSSA-N 0 2 422.466 3.501 40 10 HFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000006180726 132309523 /nfs/dbraw/zinc/30/95/23/132309523.db2.gz BUFUKMNSDAGLPW-MLPAPPSSSA-N 0 2 402.790 2.729 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408526269 557287777 /nfs/dbraw/zinc/28/77/77/557287777.db2.gz AOOPZHHQVOAGKY-YBEGLDIGSA-N 0 2 410.386 2.799 40 10 HFCBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000408526253 557287821 /nfs/dbraw/zinc/28/78/21/557287821.db2.gz AMQNUMOOXHYPGA-PKNBQFBNSA-N 0 2 416.777 2.836 40 10 HFCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(C)=O ZINC000408531480 557305281 /nfs/dbraw/zinc/30/52/81/557305281.db2.gz GXZAXIFVVCVOLF-YVLHZVERSA-N 0 2 424.409 2.686 40 10 HFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC(=S)Nc3ccccc3)C2=O)cc1 ZINC000408531952 557308569 /nfs/dbraw/zinc/30/85/69/557308569.db2.gz PGKFXSXAKLINHR-FOWTUZBSSA-N 0 2 410.455 2.539 40 10 HFCBLN O=c1[nH]c2ccc(NC=C3C(=O)NC(=O)N(c4cccc5ccccc54)C3=O)cc2[nH]1 ZINC000016544893 558795613 /nfs/dbraw/zinc/79/56/13/558795613.db2.gz MNBLJDHYDXCXTG-PTNGSMBKSA-N 0 2 413.393 2.588 40 10 HFCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408897840 560651616 /nfs/dbraw/zinc/65/16/16/560651616.db2.gz UHOZZWDZKHRJHE-FLIBITNWSA-N 0 2 405.179 2.960 40 10 HFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C ZINC000408954013 560657362 /nfs/dbraw/zinc/65/73/62/560657362.db2.gz QWCHAKSCMBBDTG-OVCLIPMQSA-N 0 2 424.409 2.878 40 10 HFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000408955133 560657430 /nfs/dbraw/zinc/65/74/30/560657430.db2.gz SPOAEVBHEIHZHI-OQLLNIDSSA-N 0 2 424.409 2.879 40 10 HFCBLN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000409075684 560672932 /nfs/dbraw/zinc/67/29/32/560672932.db2.gz TXHGGRXEKMNTKL-GHRIWEEISA-N 0 2 409.417 2.637 40 10 HFCBLN CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000104799717 560736552 /nfs/dbraw/zinc/73/65/52/560736552.db2.gz NABMXGBJXKHHPX-QGOAFFKASA-N 0 2 423.425 2.841 40 10 HFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3nnc(-c4ccccc4)s3)C2=O)c1 ZINC000408529667 571308092 /nfs/dbraw/zinc/30/80/92/571308092.db2.gz HONDARXRDHXEEC-RVDMUPIBSA-N 0 2 419.466 3.401 40 10 HFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000408527160 557288891 /nfs/dbraw/zinc/28/88/91/557288891.db2.gz CVXXYFSRLBSDNN-SFQUDFHCSA-N 0 2 422.441 2.991 40 10 HFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNC(=S)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000408530992 557300343 /nfs/dbraw/zinc/30/03/43/557300343.db2.gz JZCRVNYWOMDJQN-WJDWOHSUSA-N 0 2 424.482 2.765 40 10 HFCBLN Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C ZINC000408849306 560647012 /nfs/dbraw/zinc/64/70/12/560647012.db2.gz WAMVYMMQLQEIJI-YBEGLDIGSA-N 0 2 403.394 2.882 40 10 HFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408889201 560650161 /nfs/dbraw/zinc/65/01/61/560650161.db2.gz FMJHCNIBEVNHDY-MDWZMJQESA-N 0 2 403.188 2.527 40 10 HFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000408900779 560651176 /nfs/dbraw/zinc/65/11/76/560651176.db2.gz UWTVKDIILSTSLW-XSFVSMFZSA-N 0 2 405.454 2.806 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000408951074 560656728 /nfs/dbraw/zinc/65/67/28/560656728.db2.gz HTXMNXOJLSWQGG-LICLKQGHSA-N 0 2 417.377 2.578 40 10 HFCBLN O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000409326327 560710898 /nfs/dbraw/zinc/71/08/98/560710898.db2.gz AHBBQJHEJZRLTJ-KPKJPENVSA-N 0 2 407.454 2.908 40 10 HFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408949794 560656739 /nfs/dbraw/zinc/65/67/39/560656739.db2.gz IVMFXVPOTSGZFM-GZTJUZNOSA-N 0 2 407.426 2.928 40 10 HFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Br)s1 ZINC000408956484 560657799 /nfs/dbraw/zinc/65/77/99/560657799.db2.gz XJYMUEQZWPHVHT-UXBLZVDNSA-N 0 2 421.228 2.906 40 10 HFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 ZINC000408988569 560662567 /nfs/dbraw/zinc/66/25/67/560662567.db2.gz RHEYWLPASZDIGT-VGOFMYFVSA-N 0 2 409.354 2.552 40 10 HFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409390347 560718716 /nfs/dbraw/zinc/71/87/16/560718716.db2.gz FBVLAUWLCLZIHO-LDADJPATSA-N 0 2 401.426 2.859 40 10 HFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409393901 560719602 /nfs/dbraw/zinc/71/96/02/560719602.db2.gz SYGZNVNJDAKBSI-XYOKQWHBSA-N 0 2 402.204 2.519 40 10 HFCBLN COc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)sc2c1 ZINC000408532333 571309370 /nfs/dbraw/zinc/30/93/70/571309370.db2.gz MIZMZXQADJAMST-GXDHUFHOSA-N 0 2 422.466 3.501 40 10 HFCBLN