smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@@H]3C2)c(Cl)nn1 ZINC001164390205 718826014 /nfs/dbraw/zinc/82/60/14/718826014.db2.gz MXMRYLQEHVHSSQ-XJKSGUPXSA-N 0 3 425.823 2.817 20 5 IFBDHN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164391636 718826079 /nfs/dbraw/zinc/82/60/79/718826079.db2.gz WBDYYKPWKGKINT-GDBMZVCRSA-N 0 3 425.823 2.817 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@H]3C2)c(Cl)nn1 ZINC001164390197 718826314 /nfs/dbraw/zinc/82/63/14/718826314.db2.gz MXMRYLQEHVHSSQ-BBRMVZONSA-N 0 3 425.823 2.817 20 5 IFBDHN COC(=O)c1nc(Cl)nc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164627271 719064159 /nfs/dbraw/zinc/06/41/59/719064159.db2.gz QFXBAYHGZCLHEM-GJZGRUSLSA-N 0 3 431.880 2.926 20 5 IFBDHN CCc1cc(N2CCC3(CCCN3CC(=O)NC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164689818 719745672 /nfs/dbraw/zinc/74/56/72/719745672.db2.gz KEPFHCJSUADLBM-UHFFFAOYSA-N 0 3 438.532 2.795 20 5 IFBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736846 720716393 /nfs/dbraw/zinc/71/63/93/720716393.db2.gz BPLCKEXLZLRUDG-KGLIPLIRSA-N 0 3 426.864 2.928 20 5 IFBDHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164762292 721101644 /nfs/dbraw/zinc/10/16/44/721101644.db2.gz DUAHCOOUUXENRG-LSDHHAIUSA-N 0 3 427.896 2.883 20 5 IFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1 ZINC001164766169 721229191 /nfs/dbraw/zinc/22/91/91/721229191.db2.gz SIGSIPWMPLNELC-QZTJIDSGSA-N 0 3 437.479 2.883 20 5 IFBDHN Cn1cc(CN2CC[C@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164769702 721245932 /nfs/dbraw/zinc/24/59/32/721245932.db2.gz ZFLOPXAEFGKLAN-GJZGRUSLSA-N 0 3 427.896 2.883 20 5 IFBDHN CN(C)/C=C/c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164977005 722138088 /nfs/dbraw/zinc/13/80/88/722138088.db2.gz HNGNKOSSCYROJR-WENHOXRWSA-N 0 3 438.532 2.644 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164391859 718825995 /nfs/dbraw/zinc/82/59/95/718825995.db2.gz XRAVVVAPDAXPQC-ZBFHGGJFSA-N 0 3 425.823 2.817 20 5 IFBDHN CCc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164740493 720779770 /nfs/dbraw/zinc/77/97/70/720779770.db2.gz LJXOFGANFSUKPT-UXHICEINSA-N 0 3 447.499 2.746 20 5 IFBDHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164762288 721100904 /nfs/dbraw/zinc/10/09/04/721100904.db2.gz DUAHCOOUUXENRG-GJZGRUSLSA-N 0 3 427.896 2.883 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164869786 721137709 /nfs/dbraw/zinc/13/77/09/721137709.db2.gz BNROCQINOUIDCO-LEWJYISDSA-N 0 3 432.484 2.927 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164869788 721138302 /nfs/dbraw/zinc/13/83/02/721138302.db2.gz BNROCQINOUIDCO-RTWAWAEBSA-N 0 3 432.484 2.927 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164869789 721138828 /nfs/dbraw/zinc/13/88/28/721138828.db2.gz BNROCQINOUIDCO-SFTDATJTSA-N 0 3 432.484 2.927 20 5 IFBDHN CN(C)/C=C/c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976999 722138300 /nfs/dbraw/zinc/13/83/00/722138300.db2.gz HNGNKOSSCYROJR-CRZUHJALSA-N 0 3 438.532 2.644 20 5 IFBDHN CCc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164740497 720780709 /nfs/dbraw/zinc/78/07/09/720780709.db2.gz LJXOFGANFSUKPT-VQTJNVASSA-N 0 3 447.499 2.746 20 5 IFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC001164746027 720803811 /nfs/dbraw/zinc/80/38/11/720803811.db2.gz LLIVKCKUUVAFTB-ZWKOTPCHSA-N 0 3 436.447 2.928 20 5 IFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1 ZINC001164766171 721228488 /nfs/dbraw/zinc/22/84/88/721228488.db2.gz SIGSIPWMPLNELC-ZWKOTPCHSA-N 0 3 437.479 2.883 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164391856 718826258 /nfs/dbraw/zinc/82/62/58/718826258.db2.gz XRAVVVAPDAXPQC-GOEBONIOSA-N 0 3 425.823 2.817 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164876372 721162526 /nfs/dbraw/zinc/16/25/26/721162526.db2.gz LXVHRWAQNKBVCX-RTBURBONSA-N 0 3 432.484 2.927 20 5 IFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1 ZINC001164766170 721229310 /nfs/dbraw/zinc/22/93/10/721229310.db2.gz SIGSIPWMPLNELC-ROUUACIJSA-N 0 3 437.479 2.883 20 5 IFBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910213 721544064 /nfs/dbraw/zinc/54/40/64/721544064.db2.gz SVXUNAFIZAJMSP-WMZOPIPTSA-N 0 3 430.436 2.648 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164391858 718826236 /nfs/dbraw/zinc/82/62/36/718826236.db2.gz XRAVVVAPDAXPQC-HOCLYGCPSA-N 0 3 425.823 2.817 20 5 IFBDHN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164391637 718826320 /nfs/dbraw/zinc/82/63/20/718826320.db2.gz WBDYYKPWKGKINT-GOEBONIOSA-N 0 3 425.823 2.817 20 5 IFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC001164746026 720803445 /nfs/dbraw/zinc/80/34/45/720803445.db2.gz LLIVKCKUUVAFTB-ROUUACIJSA-N 0 3 436.447 2.928 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164876371 721161995 /nfs/dbraw/zinc/16/19/95/721161995.db2.gz LXVHRWAQNKBVCX-RBUKOAKNSA-N 0 3 432.484 2.927 20 5 IFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1 ZINC001164766168 721228657 /nfs/dbraw/zinc/22/86/57/721228657.db2.gz SIGSIPWMPLNELC-MSOLQXFVSA-N 0 3 437.479 2.883 20 5 IFBDHN CN(C)/C=C\c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164977003 722138315 /nfs/dbraw/zinc/13/83/15/722138315.db2.gz HNGNKOSSCYROJR-NTRZOVMUSA-N 0 3 438.532 2.644 20 5 IFBDHN CC(C)Oc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164980286 722146198 /nfs/dbraw/zinc/14/61/98/722146198.db2.gz MNEGFGRQWAFHDF-QUCCMNQESA-N 0 3 427.505 2.899 20 5 IFBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164910210 721543825 /nfs/dbraw/zinc/54/38/25/721543825.db2.gz SVXUNAFIZAJMSP-SJLPKXTDSA-N 0 3 430.436 2.648 20 5 IFBDHN CC(C)Oc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164980284 722146747 /nfs/dbraw/zinc/14/67/47/722146747.db2.gz MNEGFGRQWAFHDF-AZUAARDMSA-N 0 3 427.505 2.899 20 5 IFBDHN COC(=O)c1nc(Cl)nc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164627275 719063962 /nfs/dbraw/zinc/06/39/62/719063962.db2.gz QFXBAYHGZCLHEM-LSDHHAIUSA-N 0 3 431.880 2.926 20 5 IFBDHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164762290 721100237 /nfs/dbraw/zinc/10/02/37/721100237.db2.gz DUAHCOOUUXENRG-HUUCEWRRSA-N 0 3 427.896 2.883 20 5 IFBDHN COC(=O)c1nc(Cl)nc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164627268 719064228 /nfs/dbraw/zinc/06/42/28/719064228.db2.gz QFXBAYHGZCLHEM-CABCVRRESA-N 0 3 431.880 2.926 20 5 IFBDHN CNC(=O)CN1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164690096 719754971 /nfs/dbraw/zinc/75/49/71/719754971.db2.gz SLOPTUBJVSZGLI-UHFFFAOYSA-N 0 3 427.480 2.977 20 5 IFBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736848 720716129 /nfs/dbraw/zinc/71/61/29/720716129.db2.gz BPLCKEXLZLRUDG-ZIAGYGMSSA-N 0 3 426.864 2.928 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@H]3C2)c(Cl)nn1 ZINC001164390202 718826045 /nfs/dbraw/zinc/82/60/45/718826045.db2.gz MXMRYLQEHVHSSQ-CJNGLKHVSA-N 0 3 425.823 2.817 20 5 IFBDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164635283 719138858 /nfs/dbraw/zinc/13/88/58/719138858.db2.gz WVCHFNVGZLWBPW-HNNXBMFYSA-N 0 3 426.807 2.806 20 5 IFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC001164746025 720803544 /nfs/dbraw/zinc/80/35/44/720803544.db2.gz LLIVKCKUUVAFTB-QZTJIDSGSA-N 0 3 436.447 2.928 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164876369 721163081 /nfs/dbraw/zinc/16/30/81/721163081.db2.gz LXVHRWAQNKBVCX-MOPGFXCFSA-N 0 3 432.484 2.927 20 5 IFBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736847 720717769 /nfs/dbraw/zinc/71/77/69/720717769.db2.gz BPLCKEXLZLRUDG-UONOGXRCSA-N 0 3 426.864 2.928 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164869787 721138780 /nfs/dbraw/zinc/13/87/80/721138780.db2.gz BNROCQINOUIDCO-NHCUHLMSSA-N 0 3 432.484 2.927 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164876370 721163185 /nfs/dbraw/zinc/16/31/85/721163185.db2.gz LXVHRWAQNKBVCX-OALUTQOASA-N 0 3 432.484 2.927 20 5 IFBDHN CC(C)Oc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164980285 722146398 /nfs/dbraw/zinc/14/63/98/722146398.db2.gz MNEGFGRQWAFHDF-ICSRJNTNSA-N 0 3 427.505 2.899 20 5 IFBDHN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@@H]3C2)c(Cl)nn1 ZINC001164390204 718826197 /nfs/dbraw/zinc/82/61/97/718826197.db2.gz MXMRYLQEHVHSSQ-CZUORRHYSA-N 0 3 425.823 2.817 20 5 IFBDHN Cn1cc(CN2CC[C@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164769705 721246191 /nfs/dbraw/zinc/24/61/91/721246191.db2.gz ZFLOPXAEFGKLAN-LSDHHAIUSA-N 0 3 427.896 2.883 20 5 IFBDHN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164391639 718826148 /nfs/dbraw/zinc/82/61/48/718826148.db2.gz WBDYYKPWKGKINT-ZBFHGGJFSA-N 0 3 425.823 2.817 20 5 IFBDHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164689848 719751433 /nfs/dbraw/zinc/75/14/33/719751433.db2.gz LVWYOEMGAIFQDM-UHFFFAOYSA-N 0 3 444.923 2.886 20 5 IFBDHN CCc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164740488 720782095 /nfs/dbraw/zinc/78/20/95/720782095.db2.gz LJXOFGANFSUKPT-PMACEKPBSA-N 0 3 447.499 2.746 20 5 IFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC001164746023 720803827 /nfs/dbraw/zinc/80/38/27/720803827.db2.gz LLIVKCKUUVAFTB-MSOLQXFVSA-N 0 3 436.447 2.928 20 5 IFBDHN CC(C)Oc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164980287 722146589 /nfs/dbraw/zinc/14/65/89/722146589.db2.gz MNEGFGRQWAFHDF-UYAOXDASSA-N 0 3 427.505 2.899 20 5 IFBDHN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164391795 718826139 /nfs/dbraw/zinc/82/61/39/718826139.db2.gz XRAVVVAPDAXPQC-GDBMZVCRSA-N 0 3 425.823 2.817 20 5 IFBDHN CCOC(=O)C1CCN(C2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001164614123 719024082 /nfs/dbraw/zinc/02/40/82/719024082.db2.gz NNZARCYAIIZJPA-UHFFFAOYSA-N 0 3 432.308 2.936 20 5 IFBDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164635286 719138325 /nfs/dbraw/zinc/13/83/25/719138325.db2.gz WVCHFNVGZLWBPW-OAHLLOKOSA-N 0 3 426.807 2.806 20 5 IFBDHN CCc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164740500 720779904 /nfs/dbraw/zinc/77/99/04/720779904.db2.gz LJXOFGANFSUKPT-WOJBJXKFSA-N 0 3 447.499 2.746 20 5 IFBDHN Cn1cc(CN2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164769701 721245510 /nfs/dbraw/zinc/24/55/10/721245510.db2.gz ZFLOPXAEFGKLAN-CABCVRRESA-N 0 3 427.896 2.883 20 5 IFBDHN CN(C)/C=C\c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164977001 722138230 /nfs/dbraw/zinc/13/82/30/722138230.db2.gz HNGNKOSSCYROJR-DPFFDBEASA-N 0 3 438.532 2.644 20 5 IFBDHN COC(=O)c1nc(Cl)nc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164627273 719064402 /nfs/dbraw/zinc/06/44/02/719064402.db2.gz QFXBAYHGZCLHEM-HUUCEWRRSA-N 0 3 431.880 2.926 20 5 IFBDHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164762286 721101922 /nfs/dbraw/zinc/10/19/22/721101922.db2.gz DUAHCOOUUXENRG-CABCVRRESA-N 0 3 427.896 2.883 20 5 IFBDHN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164391638 718826072 /nfs/dbraw/zinc/82/60/72/718826072.db2.gz WBDYYKPWKGKINT-HOCLYGCPSA-N 0 3 425.823 2.817 20 5 IFBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736845 720715821 /nfs/dbraw/zinc/71/58/21/720715821.db2.gz BPLCKEXLZLRUDG-KBPBESRZSA-N 0 3 426.864 2.928 20 5 IFBDHN Cn1cc(CN2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164769704 721244987 /nfs/dbraw/zinc/24/49/87/721244987.db2.gz ZFLOPXAEFGKLAN-HUUCEWRRSA-N 0 3 427.896 2.883 20 5 IFBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910207 721544305 /nfs/dbraw/zinc/54/43/05/721544305.db2.gz SVXUNAFIZAJMSP-FUHWJXTLSA-N 0 3 430.436 2.648 20 5 IFBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164910204 721543935 /nfs/dbraw/zinc/54/39/35/721543935.db2.gz SVXUNAFIZAJMSP-AEFFLSMTSA-N 0 3 430.436 2.648 20 5 IFBDHN