smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1OC ZINC000020491807 523976720 /nfs/dbraw/zinc/97/67/20/523976720.db2.gz MPBKWCZMZPGFGZ-UHFFFAOYSA-N 0 0 426.878 2.209 20 0 IEADRN Cn1c2nnc(CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)n2c2ccccc2c1=O ZINC000012610140 527127461 /nfs/dbraw/zinc/12/74/61/527127461.db2.gz IQRATNCONJQYHP-XMMPIXPASA-N 0 0 442.479 2.255 20 0 IEADRN O=C(C[C@H]1Oc2ccccc2NC1=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012974486 556420330 /nfs/dbraw/zinc/42/03/30/556420330.db2.gz CWOGMULQPFZYIQ-HXUWFJFHSA-N 0 0 437.452 2.382 20 0 IEADRN O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000016044382 563020658 /nfs/dbraw/zinc/02/06/58/563020658.db2.gz GWZVSHJAPHNIHJ-UHFFFAOYSA-N 0 0 449.838 2.194 20 0 IEADRN COc1cc2nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc(N)c2cc1OC ZINC000025962773 563027616 /nfs/dbraw/zinc/02/76/16/563027616.db2.gz GXPSJGHGAVNKAB-UHFFFAOYSA-N 0 0 443.529 2.049 20 0 IEADRN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000015827700 568841154 /nfs/dbraw/zinc/84/11/54/568841154.db2.gz JTSMMXABMFYJPL-UHFFFAOYSA-N 0 0 437.905 2.493 20 0 IEADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164406803 718867377 /nfs/dbraw/zinc/86/73/77/718867377.db2.gz HNDMTSAFYVIPTJ-UHFFFAOYSA-N 0 0 448.879 2.467 20 0 IEADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3OCC[C@@]3(C(=O)OCC)C2)nc1Cl ZINC001164432748 718972896 /nfs/dbraw/zinc/97/28/96/718972896.db2.gz IVQBRFIOUXQERX-SJKOYZFVSA-N 0 0 433.839 2.400 20 0 IEADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164434871 718982090 /nfs/dbraw/zinc/98/20/90/718982090.db2.gz WPDVCUIMXMBANP-XJKSGUPXSA-N 0 0 438.880 2.232 20 0 IEADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164615771 719006353 /nfs/dbraw/zinc/00/63/53/719006353.db2.gz JKOVVLHYUFZAPT-UHFFFAOYSA-N 0 0 429.840 2.159 20 0 IEADRN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)ncn2)C3)nn1 ZINC001164638354 719263849 /nfs/dbraw/zinc/26/38/49/719263849.db2.gz OOXGRVQWHMSAHW-KBXCAEBGSA-N 0 0 440.882 2.497 20 0 IEADRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)n2)C3)nn1 ZINC001164642789 719264001 /nfs/dbraw/zinc/26/40/01/719264001.db2.gz YXEPHRVZPXVVLU-RDTXWAMCSA-N 0 0 440.882 2.497 20 0 IEADRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc(Cl)nn2)C3)nn1 ZINC001164634450 719264582 /nfs/dbraw/zinc/26/45/82/719264582.db2.gz GHSGAZCPKJHCPC-RDTXWAMCSA-N 0 0 440.882 2.497 20 0 IEADRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nccnc2Cl)C3)nn1 ZINC001164634299 719265913 /nfs/dbraw/zinc/26/59/13/719265913.db2.gz FUKATEOPHCZXEO-RDTXWAMCSA-N 0 0 440.882 2.497 20 0 IEADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3ccc(OC)nc3Cl)CC2)C1=O ZINC001164636884 719273918 /nfs/dbraw/zinc/27/39/18/719273918.db2.gz YPCYYNQTZLSPJP-UHFFFAOYSA-N 0 0 432.899 2.048 20 0 IEADRN COCCN1CCN(C)C2(CCN(c3nc(Cl)nc4c(OC)cccc43)CC2)C1=O ZINC001164635478 719273966 /nfs/dbraw/zinc/27/39/66/719273966.db2.gz RLSRYTKTFHYDRP-UHFFFAOYSA-N 0 0 433.940 2.051 20 0 IEADRN COCCN1CCN(C)C2(CCN(c3ncnc4c3ccn4Cc3ccccc3)CC2)C1=O ZINC001164637937 719275715 /nfs/dbraw/zinc/27/57/15/719275715.db2.gz BIKUDBCUMIXHNM-UHFFFAOYSA-N 0 0 448.571 2.239 20 0 IEADRN COCCN1CCN(C)C2(CCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC2)C1=O ZINC001164644308 719283352 /nfs/dbraw/zinc/28/33/52/719283352.db2.gz HTOLZZUEBDNQCQ-UHFFFAOYSA-N 0 0 444.967 2.260 20 0 IEADRN COCCN1CCN(C)C2(CCN(c3ncc(C)c(-c4ccccc4F)n3)CC2)C1=O ZINC001164644116 719284507 /nfs/dbraw/zinc/28/45/07/719284507.db2.gz DODSLOAEPHDTBV-UHFFFAOYSA-N 0 0 427.524 2.351 20 0 IEADRN COCCN1CCN(C)C2(CCN(c3ncnc4[nH]c5cc(F)ccc5c43)CC2)C1=O ZINC001164644131 719285266 /nfs/dbraw/zinc/28/52/66/719285266.db2.gz FARLUNXADSYBTG-UHFFFAOYSA-N 0 0 426.496 2.010 20 0 IEADRN CN(C)c1cc(C(F)(F)N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)nc(Cl)n1 ZINC001164648990 719305810 /nfs/dbraw/zinc/30/58/10/719305810.db2.gz SQLOTYIMQOJBSE-AHIWAGSCSA-N 0 0 429.899 2.347 20 0 IEADRN CN(C)c1cc(C(F)(F)N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)nc(Cl)n1 ZINC001164648999 719305842 /nfs/dbraw/zinc/30/58/42/719305842.db2.gz SQLOTYIMQOJBSE-OGHNNQOOSA-N 0 0 429.899 2.347 20 0 IEADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164645980 719309601 /nfs/dbraw/zinc/30/96/01/719309601.db2.gz AOXMXEADSPZLML-UHFFFAOYSA-N 0 0 442.593 2.325 20 0 IEADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164653624 719315181 /nfs/dbraw/zinc/31/51/81/719315181.db2.gz YHTIPSRKGUXXCG-UHFFFAOYSA-N 0 0 439.612 2.474 20 0 IEADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)C[C@H]2CCCO[C@@H]21 ZINC001164655438 719318995 /nfs/dbraw/zinc/31/89/95/719318995.db2.gz XCJHDTSEUOZFNY-DFBGVHRSSA-N 0 0 427.839 2.385 20 0 IEADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)C[C@H]2CCCO[C@H]21 ZINC001164652446 719319789 /nfs/dbraw/zinc/31/97/89/719319789.db2.gz JUUFGRLRJIRQME-DJSGYFEHSA-N 0 0 427.839 2.385 20 0 IEADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)Oc2cnc(Cl)cn2)C[C@@H]2CCCO[C@@H]12 ZINC001164653517 719321254 /nfs/dbraw/zinc/32/12/54/719321254.db2.gz NFAGNCINYNQWHS-NORZTCDRSA-N 0 0 443.838 2.265 20 0 IEADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)Oc2cnc(Cl)cn2)C[C@H]2CCCO[C@@H]21 ZINC001164653513 719321379 /nfs/dbraw/zinc/32/13/79/719321379.db2.gz NFAGNCINYNQWHS-KFNAQCHYSA-N 0 0 443.838 2.265 20 0 IEADRN Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC001164664671 719383503 /nfs/dbraw/zinc/38/35/03/719383503.db2.gz BTCRAVYRBKLWDS-PMACEKPBSA-N 0 0 439.541 2.258 20 0 IEADRN Fc1ccc(CN2CCOCC23CCN(c2cc(N4CCOCC4)ncn2)CC3)cc1 ZINC001164672323 719496795 /nfs/dbraw/zinc/49/67/95/719496795.db2.gz KRLVNMKAQRXDAU-UHFFFAOYSA-N 0 0 427.524 2.324 20 0 IEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)n1 ZINC001164678886 719535203 /nfs/dbraw/zinc/53/52/03/719535203.db2.gz OECXOYZMMJHLOK-RDBSUJKOSA-N 0 0 429.899 2.347 20 0 IEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@H]32)n1 ZINC001164678884 719535566 /nfs/dbraw/zinc/53/55/66/719535566.db2.gz OECXOYZMMJHLOK-MCIONIFRSA-N 0 0 429.899 2.347 20 0 IEADRN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164677815 719549160 /nfs/dbraw/zinc/54/91/60/719549160.db2.gz GXRJUJLUFPPOOJ-JTQLQIEISA-N 0 0 425.263 2.219 20 0 IEADRN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164677924 719554288 /nfs/dbraw/zinc/55/42/88/719554288.db2.gz SDUSNHVIXPUJQR-LBPRGKRZSA-N 0 0 430.883 2.054 20 0 IEADRN C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679651 719585003 /nfs/dbraw/zinc/58/50/03/719585003.db2.gz BKNCORRPNOHWAW-SFHVURJKSA-N 0 0 448.575 2.453 20 0 IEADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164686721 719685713 /nfs/dbraw/zinc/68/57/13/719685713.db2.gz PMABIQQIBXZDJP-UHFFFAOYSA-N 0 0 449.849 2.007 20 0 IEADRN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164687172 719688743 /nfs/dbraw/zinc/68/87/43/719688743.db2.gz QGBPGGHBVMFLET-LBPRGKRZSA-N 0 0 426.855 2.199 20 0 IEADRN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164684481 719690994 /nfs/dbraw/zinc/69/09/94/719690994.db2.gz IRPKUIGTOBDSSW-GFCCVEGCSA-N 0 0 440.882 2.387 20 0 IEADRN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164685430 719692294 /nfs/dbraw/zinc/69/22/94/719692294.db2.gz JYKXWIOYJAQTDX-GFCCVEGCSA-N 0 0 440.882 2.387 20 0 IEADRN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164691211 719801990 /nfs/dbraw/zinc/80/19/90/719801990.db2.gz FXTCAFYRWSDYCJ-KBPBESRZSA-N 0 0 440.838 2.256 20 0 IEADRN O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(F)(F)c3cc(Cl)ncn3)C[C@H]2O1 ZINC001164700196 719817088 /nfs/dbraw/zinc/81/70/88/719817088.db2.gz JJOYMGRTMKQRRF-CWRNSKLLSA-N 0 0 437.878 2.413 20 0 IEADRN O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(F)(F)c3cncc(Cl)n3)C[C@@H]2O1 ZINC001164702591 719819727 /nfs/dbraw/zinc/81/97/27/719819727.db2.gz SELBTODIWISAKW-BPUTZDHNSA-N 0 0 437.878 2.413 20 0 IEADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)C1 ZINC001164698115 719828216 /nfs/dbraw/zinc/82/82/16/719828216.db2.gz QZFWUGAQHBUEMW-GFCCVEGCSA-N 0 0 438.866 2.357 20 0 IEADRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)C1 ZINC001164698810 719828628 /nfs/dbraw/zinc/82/86/28/719828628.db2.gz VCMCENYCCYNYRZ-ZDUSSCGKSA-N 0 0 438.866 2.357 20 0 IEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164701304 719852647 /nfs/dbraw/zinc/85/26/47/719852647.db2.gz KAPQOYHLSZJHFR-KBXCAEBGSA-N 0 0 433.883 2.435 20 0 IEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc(OCc2ccccc2)n1 ZINC001164700079 719853473 /nfs/dbraw/zinc/85/34/73/719853473.db2.gz GDVZKMLECCQTHO-AUSIDOKSSA-N 0 0 426.517 2.288 20 0 IEADRN CCOC(=O)c1cc2cccnc2nc1N1CC[C@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164702489 719853825 /nfs/dbraw/zinc/85/38/25/719853825.db2.gz NKMSKGRBRLLNRG-SBUREZEXSA-N 0 0 442.516 2.039 20 0 IEADRN CCOC(=O)c1nc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)ccc1Cl ZINC001164701761 719863913 /nfs/dbraw/zinc/86/39/13/719863913.db2.gz HIURINLXDYPWPW-XOBRGWDASA-N 0 0 425.913 2.144 20 0 IEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC1 ZINC001164706650 719866525 /nfs/dbraw/zinc/86/65/25/719866525.db2.gz QGDIHTPATXZKKW-KOSHJBKYSA-N 0 0 439.560 2.463 20 0 IEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC001164699950 719867741 /nfs/dbraw/zinc/86/77/41/719867741.db2.gz DAZAMESYRMEBRC-HYBUGGRVSA-N 0 0 444.576 2.186 20 0 IEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc(-c2ccccc2OC)n1 ZINC001164708169 719870312 /nfs/dbraw/zinc/87/03/12/719870312.db2.gz XWVICTNPGXDIBL-UZUQRXQVSA-N 0 0 426.517 2.385 20 0 IEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc(-c2ccccc2OC)n1 ZINC001164708167 719870518 /nfs/dbraw/zinc/87/05/18/719870518.db2.gz XWVICTNPGXDIBL-HXOBKFHXSA-N 0 0 426.517 2.385 20 0 IEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC001164708162 719873927 /nfs/dbraw/zinc/87/39/27/719873927.db2.gz XWFYXFYMNOJQLD-HOYKHHGWSA-N 0 0 437.544 2.260 20 0 IEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc(C(N)=S)c2ccsc21 ZINC001164704300 719880078 /nfs/dbraw/zinc/88/00/78/719880078.db2.gz VAWBWSFQHFNEOJ-ZUOKHONESA-N 0 0 434.587 2.163 20 0 IEADRN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]21 ZINC001164700791 719881782 /nfs/dbraw/zinc/88/17/82/719881782.db2.gz LTUNNTQTCYYAIV-GARJFASQSA-N 0 0 445.257 2.456 20 0 IEADRN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3)C[C@@H]21 ZINC001164697546 719882759 /nfs/dbraw/zinc/88/27/59/719882759.db2.gz CJGLIOXYIRFCQM-FPMFFAJLSA-N 0 0 425.823 2.287 20 0 IEADRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001164700768 719883707 /nfs/dbraw/zinc/88/37/07/719883707.db2.gz LADASEDFOZZADU-GMTAPVOTSA-N 0 0 442.879 2.091 20 0 IEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164708699 719903788 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Cn1ccnc1C(=O)N[C@@H]1CN(C(F)(F)COc2cccc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164983447 722093133 /nfs/dbraw/zinc/09/31/33/722093133.db2.gz SRYXHALVBHOWFS-IOASZLSFSA-N 0 0 441.866 2.102 20 0 IEADRN Cc1nc(C(F)(F)N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@H]32)nc(Cl)c1C ZINC001164984499 722093235 /nfs/dbraw/zinc/09/32/35/722093235.db2.gz WNGOSLLMVSCAHQ-MJBXVCDLSA-N 0 0 440.882 2.191 20 0 IEADRN Cn1cc(N2C[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@H]3C2=O)cn1 ZINC001164981691 722094491 /nfs/dbraw/zinc/09/44/91/722094491.db2.gz OPFPCDQVOAVDPX-SJLPKXTDSA-N 0 0 449.946 2.479 20 0 IEADRN Cn1cc(N2C[C@H]3CN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@H]3C2=O)cn1 ZINC001164982394 722095964 /nfs/dbraw/zinc/09/59/64/722095964.db2.gz QFPCUGAJOSRVAI-DGCLKSJQSA-N 0 0 440.838 2.205 20 0 IEADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@H]3C2=O)cn1 ZINC001164972930 722096206 /nfs/dbraw/zinc/09/62/06/722096206.db2.gz AERAPAJGPTVPIR-SMDDNHRTSA-N 0 0 440.838 2.205 20 0 IEADRN 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/nfs/dbraw/zinc/23/17/28/722231728.db2.gz VABYCXDIOSGZDG-UHFFFAOYSA-N 0 0 444.967 2.367 20 0 IEADRN CN1CCN(c2ncnc3c2CCN(c2ncc4c(n2)-c2ccccc2CC4)CC3)CC1 ZINC001164996352 722235878 /nfs/dbraw/zinc/23/58/78/722235878.db2.gz CLMBERWZONVNMF-UHFFFAOYSA-N 0 0 427.556 2.389 20 0 IEADRN Cc1nc(-c2ccncc2)nc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c1C ZINC001165002605 722238758 /nfs/dbraw/zinc/23/87/58/722238758.db2.gz VXXQLHZFVDIVCF-UHFFFAOYSA-N 0 0 430.560 2.302 20 0 IEADRN O=C(NC[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccnc(Cl)c2)C1)c1ccnnc1 ZINC001165002645 722240634 /nfs/dbraw/zinc/24/06/34/722240634.db2.gz DZXZIWRVWNABKM-CYBMUJFWSA-N 0 0 433.850 2.333 20 0 IEADRN Cc1nc(Cl)cc(C(F)(F)N2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)n1 ZINC001165006379 722242742 /nfs/dbraw/zinc/24/27/42/722242742.db2.gz YOVRCGZLYIWZHD-UKRRQHHQSA-N 0 0 425.867 2.299 20 0 IEADRN Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(N)c3)C[C@H]2C1 ZINC001165004352 722244296 /nfs/dbraw/zinc/24/42/96/722244296.db2.gz OANDLZXIUJJBNB-MLGOLLRUSA-N 0 0 425.867 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Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001165002053 722246961 /nfs/dbraw/zinc/24/69/61/722246961.db2.gz BHRLQHHAAAGOLY-SFHVURJKSA-N 0 0 425.867 2.491 20 0 IEADRN CN1CCc2nc(Cl)nc(N3CCO[C@@]4(CCCN(C(=O)c5ccco5)C4)C3)c2C1 ZINC001165000174 722249861 /nfs/dbraw/zinc/24/98/61/722249861.db2.gz FNEYFSPWXHIEME-NRFANRHFSA-N 0 0 431.924 2.223 20 0 IEADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001165004528 722259834 /nfs/dbraw/zinc/25/98/34/722259834.db2.gz QAMZMOXVHQBVSP-XMMPIXPASA-N 0 0 437.519 2.384 20 0 IEADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)C2 ZINC001165005813 722265096 /nfs/dbraw/zinc/26/50/96/722265096.db2.gz DHJWSOWEFMFCMN-NRFANRHFSA-N 0 0 429.883 2.296 20 0 IEADRN CN1CCOc2c(Cl)nnc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c21 ZINC001165005342 722267183 /nfs/dbraw/zinc/26/71/83/722267183.db2.gz BAVGJTHCGVGVOQ-NRFANRHFSA-N 0 0 446.914 2.025 20 0 IEADRN CCCNC(=O)c1ccc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165006074 722268315 /nfs/dbraw/zinc/26/83/15/722268315.db2.gz LPAOTZZOXFWJML-QHCPKHFHSA-N 0 0 425.508 2.288 20 0 IEADRN O=C([O-])[C@]1(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCC[N@H+](Cc2ccccc2)C1 ZINC001123268179 939817670 /nfs/dbraw/zinc/81/76/70/939817670.db2.gz PQIOOPZTFHRZIU-VWLOTQADSA-N 0 0 446.507 2.146 20 0 IEADRN COc1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC001123269306 939818515 /nfs/dbraw/zinc/81/85/15/939818515.db2.gz XAOFYVLQAYKXNN-QHCPKHFHSA-N 0 0 426.469 2.316 20 0 IEADRN O=C([O-])[C@]1(NC(=O)C2CCN(CC(F)(F)F)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123269494 939818648 /nfs/dbraw/zinc/81/86/48/939818648.db2.gz ZAPLIYFPDAVDHG-FQEVSTJZSA-N 0 0 427.467 2.496 20 0 IEADRN C[C@H](C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC001123269480 939818927 /nfs/dbraw/zinc/81/89/27/939818927.db2.gz YYJKNOKWRJAPHJ-UZUQRXQVSA-N 0 0 434.500 2.137 20 0 IEADRN Cn1c2nnc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)n2c2ccsc2c1=O ZINC001473749461 1126198626 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