smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(CC[C@@H]1CCCO1)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001474937770 1069310326 /nfs/dbraw/zinc/31/03/26/1069310326.db2.gz FSQKUEFBCKHNEW-SFHVURJKSA-N 0 0 453.586 1.830 20 0 JDADRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCC2(c3ccccc3Cl)CCOCC2)C1 ZINC001474936929 1069310416 /nfs/dbraw/zinc/31/04/16/1069310416.db2.gz UNKXEYYTZMAGFB-OAHLLOKOSA-N 0 0 451.010 1.589 20 0 JDADRN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC001474938859 1069310840 /nfs/dbraw/zinc/31/08/40/1069310840.db2.gz IVKWBAULYCVTIY-NSHDSACASA-N 0 0 454.555 1.510 20 0 JDADRN COC(=O)[C@H](CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc(F)c1 ZINC001474938624 1069310968 /nfs/dbraw/zinc/31/09/68/1069310968.db2.gz CGQOHHMTADUAOR-INIZCTEOSA-N 0 0 459.540 1.545 20 0 JDADRN COc1ccc(Br)cc1S(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001474939468 1069311269 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CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(C)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001500855806 1069319114 /nfs/dbraw/zinc/31/91/14/1069319114.db2.gz RVLHBQZDOQYMDB-INIZCTEOSA-N 0 0 450.556 1.500 20 0 JDADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001474957138 1069319130 /nfs/dbraw/zinc/31/91/30/1069319130.db2.gz UTAUHAOAUINFKV-CQSZACIVSA-N 0 0 451.998 1.602 20 0 JDADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001500855698 1069319180 /nfs/dbraw/zinc/31/91/80/1069319180.db2.gz OAIDTEKQHHBZMV-QGZVFWFLSA-N 0 0 487.671 1.989 20 0 JDADRN CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001474958700 1069319553 /nfs/dbraw/zinc/31/95/53/1069319553.db2.gz OUOLSKCMIGVRGO-MRXNPFEDSA-N 0 0 451.561 1.478 20 0 JDADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C)CC1 ZINC001500855832 1069319443 /nfs/dbraw/zinc/31/94/43/1069319443.db2.gz SZIYYUBSVOCFGC-UHFFFAOYSA-N 0 0 477.635 1.522 20 0 JDADRN 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O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC001474961720 1069319952 /nfs/dbraw/zinc/31/99/52/1069319952.db2.gz AGDGVJMLWBIMFO-UHFFFAOYSA-N 0 0 459.524 1.745 20 0 JDADRN CCCN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 ZINC001500857534 1069320031 /nfs/dbraw/zinc/32/00/31/1069320031.db2.gz BRSLZKPQBTZVNR-KRWDZBQOSA-N 0 0 481.644 1.560 20 0 JDADRN COc1cc(CS(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)sn1 ZINC001474961799 1069320200 /nfs/dbraw/zinc/32/02/00/1069320200.db2.gz CEWDJQWWVKFESZ-UHFFFAOYSA-N 0 0 450.586 1.579 20 0 JDADRN Cc1onc(N)c1S(=O)(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC001474962088 1069320535 /nfs/dbraw/zinc/32/05/35/1069320535.db2.gz NNMKYAZDNBTRRT-UHFFFAOYSA-N 0 0 459.322 1.240 20 0 JDADRN CCCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1)C(=O)OC(C)(C)C ZINC001500861828 1069320544 /nfs/dbraw/zinc/32/05/44/1069320544.db2.gz SIPUYAUKOBLTNA-INIZCTEOSA-N 0 0 488.655 1.744 20 0 JDADRN CCCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@H]1C)C(=O)OC(C)(C)C ZINC001500861425 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0 JDADRN COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)C[C@]3(OC(C)C)CCOC3)C2=O)c1 ZINC001475061799 1069346512 /nfs/dbraw/zinc/34/65/12/1069346512.db2.gz KMTDHZDMBKSIFM-FPOVZHCZSA-N 0 0 456.561 1.655 20 0 JDADRN CS(=O)(=O)CC1(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001475059612 1069345918 /nfs/dbraw/zinc/34/59/18/1069345918.db2.gz VXMURZOGFDUBFX-GOSISDBHSA-N 0 0 458.602 1.779 20 0 JDADRN COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)C2=O)c1 ZINC001475062106 1069346935 /nfs/dbraw/zinc/34/69/35/1069346935.db2.gz NLNORWCAVUWUFX-FQEVSTJZSA-N 0 0 459.524 1.697 20 0 JDADRN CCN1C(=O)[C@@H]2CN(S(=O)(=O)N=[S@@](=O)(c3ccccc3)C(F)(F)F)CCN2C1=O ZINC001475062381 1069346973 /nfs/dbraw/zinc/34/69/73/1069346973.db2.gz PGCHQXIFUMMZEY-PSBQPLHCSA-N 0 0 454.452 1.246 20 0 JDADRN COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)C2=O)c1 ZINC001475062107 1069347113 /nfs/dbraw/zinc/34/71/13/1069347113.db2.gz NLNORWCAVUWUFX-HXUWFJFHSA-N 0 0 459.524 1.697 20 0 JDADRN COc1ccc(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1C(=O)N(C)C ZINC001475072375 1069350848 /nfs/dbraw/zinc/35/08/48/1069350848.db2.gz LWBWIJGMPPJUDO-INIZCTEOSA-N 0 0 453.467 1.759 20 0 JDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 ZINC001475071981 1069350911 /nfs/dbraw/zinc/35/09/11/1069350911.db2.gz AGSXMJFPQZXVHG-HNNXBMFYSA-N 0 0 456.565 1.808 20 0 JDADRN Cc1cc(C(=O)N2CCOCC2)ccc1N(C)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC001475064078 1069347499 /nfs/dbraw/zinc/34/74/99/1069347499.db2.gz JTXTXOHYVNBMKY-UHFFFAOYSA-N 0 0 457.508 1.518 20 0 JDADRN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1C ZINC001475064280 1069347726 /nfs/dbraw/zinc/34/77/26/1069347726.db2.gz LWFGIERVVLVLHV-AWEZNQCLSA-N 0 0 450.542 1.916 20 0 JDADRN CC[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Oc1cccc(C(F)(F)F)c1 ZINC001475063616 1069347877 /nfs/dbraw/zinc/34/78/77/1069347877.db2.gz YZBHRVQBFHIKRH-AWEZNQCLSA-N 0 0 459.512 1.274 20 0 JDADRN COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c(OC)c1 ZINC001475066119 1069348023 /nfs/dbraw/zinc/34/80/23/1069348023.db2.gz DBRXSTDFLKEQLI-OAHLLOKOSA-N 0 0 457.549 1.311 20 0 JDADRN CCOC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c(F)cc1Cl ZINC001475065823 1069348326 /nfs/dbraw/zinc/34/83/26/1069348326.db2.gz ASIDHLHCSUGSDU-LBPRGKRZSA-N 0 0 450.916 1.914 20 0 JDADRN Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001475072116 1069350972 /nfs/dbraw/zinc/35/09/72/1069350972.db2.gz DPRAEMIESFTFMR-LBPRGKRZSA-N 0 0 455.313 1.892 20 0 JDADRN COC(=O)c1ccc(OC)cc1S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001475066945 1069348747 /nfs/dbraw/zinc/34/87/47/1069348747.db2.gz OIPBSABFCWRQLZ-BBRMVZONSA-N 0 0 458.533 1.785 20 0 JDADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c(Br)c1 ZINC001475066211 1069349052 /nfs/dbraw/zinc/34/90/52/1069349052.db2.gz JHMQTVVZZBJONV-UHFFFAOYSA-N 0 0 454.364 1.824 20 0 JDADRN CC[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001475069460 1069349220 /nfs/dbraw/zinc/34/92/20/1069349220.db2.gz SIMKWCUDIDRXOV-RTWAWAEBSA-N 0 0 456.572 1.835 20 0 JDADRN CCNC(=O)N1CC[C@@H](NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001475069510 1069349238 /nfs/dbraw/zinc/34/92/38/1069349238.db2.gz ULFLHFLMVXLNJY-LJQANCHMSA-N 0 0 452.577 1.758 20 0 JDADRN CN1CCN(S(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001475067010 1069349456 /nfs/dbraw/zinc/34/94/56/1069349456.db2.gz QODMLCJSHZKCLH-SOUVJXGZSA-N 0 0 459.531 1.957 20 0 JDADRN Cn1ncc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c1Br ZINC001475067115 1069349495 /nfs/dbraw/zinc/34/94/95/1069349495.db2.gz UVUKMAKKXAZOLK-NSHDSACASA-N 0 0 452.375 1.012 20 0 JDADRN COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC001475072808 1069351270 /nfs/dbraw/zinc/35/12/70/1069351270.db2.gz VFQHSIGMXCLERT-KRWDZBQOSA-N 0 0 454.451 1.982 20 0 JDADRN O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001475070493 1069350363 /nfs/dbraw/zinc/35/03/63/1069350363.db2.gz LBSIYWNPOANNCB-PMACEKPBSA-N 0 0 457.618 1.393 20 0 JDADRN CCCCCCn1cc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c(=O)[nH]c1=O ZINC001475079719 1069352460 /nfs/dbraw/zinc/35/24/60/1069352460.db2.gz WAOKWCJOPQGYHJ-CVEARBPZSA-N 0 0 455.533 1.635 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2C)CC1=O ZINC001501008479 1069352722 /nfs/dbraw/zinc/35/27/22/1069352722.db2.gz DIWRIDCJKXSBPH-ULQDDVLXSA-N 0 0 456.613 1.010 20 0 JDADRN Cc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(N2CCOCC2)c1 ZINC001475081958 1069353203 /nfs/dbraw/zinc/35/32/03/1069353203.db2.gz FMEBZPWSPGQWMA-UHFFFAOYSA-N 0 0 453.586 1.560 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC)CC1=O ZINC001501008094 1069353069 /nfs/dbraw/zinc/35/30/69/1069353069.db2.gz BBPVTMJKBCPQTR-UHFFFAOYSA-N 0 0 475.981 1.446 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)CC1=O ZINC001501010184 1069355841 /nfs/dbraw/zinc/35/58/41/1069355841.db2.gz YWOJPHGAAMIGPF-WUZYXKQASA-N 0 0 484.667 1.932 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1=O ZINC001501008927 1069353403 /nfs/dbraw/zinc/35/34/03/1069353403.db2.gz HRKVTQAUHZJSFS-NBCNXNJRSA-N 0 0 482.651 1.542 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2)CC1=O ZINC001501008850 1069353461 /nfs/dbraw/zinc/35/34/61/1069353461.db2.gz GTYUYRNXAPKIBB-QZTJIDSGSA-N 0 0 478.619 1.805 20 0 JDADRN Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)cc2)cc1 ZINC001475083105 1069353687 /nfs/dbraw/zinc/35/36/87/1069353687.db2.gz YTIMIXADGQHFJX-JXFKEZNVSA-N 0 0 454.570 1.760 20 0 JDADRN O=C(NCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccccc1F ZINC001475086988 1069353756 /nfs/dbraw/zinc/35/37/56/1069353756.db2.gz DDQVCMFCFSCJHR-UHFFFAOYSA-N 0 0 454.423 1.828 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2)CC1=O ZINC001501008852 1069353606 /nfs/dbraw/zinc/35/36/06/1069353606.db2.gz GTYUYRNXAPKIBB-ROUUACIJSA-N 0 0 478.619 1.805 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC)c2)CC1=O ZINC001501008941 1069353668 /nfs/dbraw/zinc/35/36/68/1069353668.db2.gz HUWYDDVMRWJSGX-KRWDZBQOSA-N 0 0 478.619 1.784 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOCC2(C)C)CC1=O ZINC001501009140 1069353915 /nfs/dbraw/zinc/35/39/15/1069353915.db2.gz ISOLECDBDCPVFS-UHFFFAOYSA-N 0 0 484.605 1.485 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1=O ZINC001501009200 1069354066 /nfs/dbraw/zinc/35/40/66/1069354066.db2.gz JKBGQSKVGRYHPJ-MGBGTMOVSA-N 0 0 475.619 1.921 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1=O ZINC001501009488 1069354219 /nfs/dbraw/zinc/35/42/19/1069354219.db2.gz MTLSTVSFTHEGPX-QHCPKHFHSA-N 0 0 490.992 1.462 20 0 JDADRN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCN(c2nccc(OCC)n2)CC1 ZINC001475087230 1069354155 /nfs/dbraw/zinc/35/41/55/1069354155.db2.gz NGGNKVOEHRDFKE-ZDUSSCGKSA-N 0 0 454.471 1.601 20 0 JDADRN CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC001475095497 1069356212 /nfs/dbraw/zinc/35/62/12/1069356212.db2.gz KQAANORMFCGTTO-ZIAGYGMSSA-N 0 0 454.364 1.421 20 0 JDADRN COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001475087403 1069354261 /nfs/dbraw/zinc/35/42/61/1069354261.db2.gz QHZZARSJOUOPBP-LBPRGKRZSA-N 0 0 451.423 1.533 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCO[C@H]2CCCC[C@H]2C)CC1=O ZINC001501009670 1069354501 /nfs/dbraw/zinc/35/45/01/1069354501.db2.gz PIYXIOYLHGBFPP-QYZOEREBSA-N 0 0 484.667 1.932 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCC)CC1=O ZINC001501009642 1069354516 /nfs/dbraw/zinc/35/45/16/1069354516.db2.gz OTTQAGUPKPPIKI-KRWDZBQOSA-N 0 0 478.619 1.784 20 0 JDADRN COC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC001475087595 1069354549 /nfs/dbraw/zinc/35/45/49/1069354549.db2.gz UIRQLKKBWUEGCM-UHFFFAOYSA-N 0 0 458.480 1.634 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCO[C@H]2CCCC[C@@H]2C)CC1=O ZINC001501009668 1069354665 /nfs/dbraw/zinc/35/46/65/1069354665.db2.gz PIYXIOYLHGBFPP-FHWLQOOXSA-N 0 0 484.667 1.932 20 0 JDADRN CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC001475095494 1069356048 /nfs/dbraw/zinc/35/60/48/1069356048.db2.gz KQAANORMFCGTTO-KBPBESRZSA-N 0 0 454.364 1.421 20 0 JDADRN CCc1nn(C)c(CC)c1S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 ZINC001475090950 1069354872 /nfs/dbraw/zinc/35/48/72/1069354872.db2.gz UOUCPMRMYRRRIK-UHFFFAOYSA-N 0 0 457.574 1.111 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2N(C)C)CC1=O ZINC001501010088 1069355051 /nfs/dbraw/zinc/35/50/51/1069355051.db2.gz WVEJCEGBHBIIEC-UHFFFAOYSA-N 0 0 477.573 1.883 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)CC1=O ZINC001501010172 1069355084 /nfs/dbraw/zinc/35/50/84/1069355084.db2.gz YRPMIWPQBZDVNE-AWEZNQCLSA-N 0 0 469.637 1.345 20 0 JDADRN COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 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/nfs/dbraw/zinc/50/77/54/1069507754.db2.gz JVQBPJJRDNBBOR-SFHVURJKSA-N 0 0 452.357 1.476 20 0 JDADRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001475620008 1069507733 /nfs/dbraw/zinc/50/77/33/1069507733.db2.gz WTJHOEKPWINGBW-KAGYGMCKSA-N 0 0 451.589 1.624 20 0 JDADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1N ZINC001475620473 1069507794 /nfs/dbraw/zinc/50/77/94/1069507794.db2.gz KENHDJPUNNDIDJ-INIZCTEOSA-N 0 0 457.616 1.693 20 0 JDADRN CCOC(=O)c1sc([C@@H]2CCN(S(=O)(=O)N3CCC(C(=O)OCC)CC3)C2)nc1C ZINC001475624858 1069508256 /nfs/dbraw/zinc/50/82/56/1069508256.db2.gz XSJSCQNTBBGSOP-OAHLLOKOSA-N 0 0 459.590 1.937 20 0 JDADRN O=C(OCc1ccccc1)N1CCO[C@@H](CS(=O)(=O)NC[C@H](CO)Cc2ccoc2)C1 ZINC001475625443 1069508407 /nfs/dbraw/zinc/50/84/07/1069508407.db2.gz FPCLFLLYYAAHNK-WOJBJXKFSA-N 0 0 452.529 1.388 20 0 JDADRN CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(-n4ncc(Cl)c(Cl)c4=O)cc3)C[C@@H]2C1 ZINC001475622436 1069508536 /nfs/dbraw/zinc/50/85/36/1069508536.db2.gz PEMSOVARCIYLFB-BETUJISGSA-N 0 0 457.339 1.638 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001501398114 1069508463 /nfs/dbraw/zinc/50/84/63/1069508463.db2.gz QJHOLUZLVNURRD-UHFFFAOYSA-N 0 0 499.616 1.185 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001501398404 1069508894 /nfs/dbraw/zinc/50/88/94/1069508894.db2.gz UFWHUTQHPHTWRM-MRXNPFEDSA-N 0 0 471.953 1.609 20 0 JDADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)N2CCN(C)CC2)cc1 ZINC001475627240 1069509079 /nfs/dbraw/zinc/50/90/79/1069509079.db2.gz HSTSKMGKXMEYFV-LJQANCHMSA-N 0 0 454.593 1.781 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001501401049 1069510382 /nfs/dbraw/zinc/51/03/82/1069510382.db2.gz DZBXMVIJSATLJH-NVXWUHKLSA-N 0 0 494.390 1.855 20 0 JDADRN O=c1[nH]c(=O)n(C2CC2)cc1CNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001475628532 1069509233 /nfs/dbraw/zinc/50/92/33/1069509233.db2.gz LNMCAEPWNQAUGM-UHFFFAOYSA-N 0 0 453.420 1.056 20 0 JDADRN COC(=O)[C@](C)(Cc1ccc(F)cc1)NS(=O)(=O)c1cc(CNC(C)=O)ccc1OC ZINC001475626338 1069509260 /nfs/dbraw/zinc/50/92/60/1069509260.db2.gz YLIAKANTMQIIAL-NRFANRHFSA-N 0 0 452.504 1.923 20 0 JDADRN Cc1nn(C)cc1S(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001475634777 1069510511 /nfs/dbraw/zinc/51/05/11/1069510511.db2.gz GUQJOXVCEGGGEX-UHFFFAOYSA-N 0 0 450.561 1.901 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001501398802 1069509724 /nfs/dbraw/zinc/50/97/24/1069509724.db2.gz YNBPLWPNBBERAD-KRWDZBQOSA-N 0 0 476.603 1.132 20 0 JDADRN COC(=O)c1cc(S(=O)(=O)N(CC(N)=O)C2CCOCC2)c(F)cc1Br ZINC001475630205 1069509790 /nfs/dbraw/zinc/50/97/90/1069509790.db2.gz ULAAXRWMRLTYDC-UHFFFAOYSA-N 0 0 453.286 1.030 20 0 JDADRN O=S(=O)(NCC[C@@H]1CCCS1(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001475629630 1069509810 /nfs/dbraw/zinc/50/98/10/1069509810.db2.gz AOEGGTPPWWZSMN-HNNXBMFYSA-N 0 0 450.604 1.107 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001501401080 1069510484 /nfs/dbraw/zinc/51/04/84/1069510484.db2.gz GEECMWKCWQOGAQ-GOEBONIOSA-N 0 0 461.364 1.901 20 0 JDADRN COCCOCCOCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001475629985 1069509875 /nfs/dbraw/zinc/50/98/75/1069509875.db2.gz KJHUUIASEXWYSY-UHFFFAOYSA-N 0 0 450.598 1.861 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001501403845 1069510923 /nfs/dbraw/zinc/51/09/23/1069510923.db2.gz CPZQRMXGUQKKLB-UHFFFAOYSA-N 0 0 465.576 1.454 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001501403872 1069511049 /nfs/dbraw/zinc/51/10/49/1069511049.db2.gz DEBSFPZRXQICED-UHFFFAOYSA-N 0 0 489.024 1.606 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001501404081 1069511065 /nfs/dbraw/zinc/51/10/65/1069511065.db2.gz DYRDEZQPECFBCT-UHFFFAOYSA-N 0 0 485.633 1.813 20 0 JDADRN COC1(c2nccn2C)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC001475638241 1069511171 /nfs/dbraw/zinc/51/11/71/1069511171.db2.gz SZNWXUURZAUTGF-UHFFFAOYSA-N 0 0 454.574 1.187 20 0 JDADRN Cn1nccc1C1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 ZINC001475636427 1069511275 /nfs/dbraw/zinc/51/12/75/1069511275.db2.gz KNUJSMMVRZTFPA-UHFFFAOYSA-N 0 0 458.334 1.626 20 0 JDADRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)(c3ncnn3C)CC2)s1 ZINC001475637668 1069511344 /nfs/dbraw/zinc/51/13/44/1069511344.db2.gz ZDZPAINHBMDVIS-UHFFFAOYSA-N 0 0 455.606 1.254 20 0 JDADRN COC1(c2nccn2C)CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC001475637676 1069511356 /nfs/dbraw/zinc/51/13/56/1069511356.db2.gz GJZBIEMTPTYLLT-UHFFFAOYSA-N 0 0 453.995 1.865 20 0 JDADRN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC001475638502 1069511895 /nfs/dbraw/zinc/51/18/95/1069511895.db2.gz ULJSZCPGVKNWKW-VLIAUNLRSA-N 0 0 455.533 1.657 20 0 JDADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC001475646269 1069512403 /nfs/dbraw/zinc/51/24/03/1069512403.db2.gz ZNMXTXXGFKEQAD-BPUTZDHNSA-N 0 0 455.451 1.640 20 0 JDADRN CC1(C)OC[C@@H]([C@@H]2CN(S(=O)(=O)c3ccc(I)s3)CCO2)O1 ZINC001475644719 1069512658 /nfs/dbraw/zinc/51/26/58/1069512658.db2.gz SKFOKFVVRNFXAJ-UWVGGRQHSA-N 0 0 459.327 1.894 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001501406995 1069512707 /nfs/dbraw/zinc/51/27/07/1069512707.db2.gz KHWPZUOBVQCSDM-HXUWFJFHSA-N 0 0 499.572 1.207 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccnn2)CC1 ZINC001501406943 1069512730 /nfs/dbraw/zinc/51/27/30/1069512730.db2.gz IILDRIIFZZZCGF-UHFFFAOYSA-N 0 0 466.546 1.557 20 0 JDADRN CCN(CC)C(=O)CNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 ZINC001475647017 1069513187 /nfs/dbraw/zinc/51/31/87/1069513187.db2.gz FUIYKCFNFLVRHS-UHFFFAOYSA-N 0 0 454.286 1.225 20 0 JDADRN C[C@]12CN(S(=O)(=O)c3cccc(I)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001475646837 1069513202 /nfs/dbraw/zinc/51/32/02/1069513202.db2.gz AWAMFYBLCRJVFH-OKILXGFUSA-N 0 0 455.339 1.737 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001501407117 1069513274 /nfs/dbraw/zinc/51/32/74/1069513274.db2.gz OXHOQDOAMRFUQV-MRXNPFEDSA-N 0 0 471.562 1.481 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001501407124 1069513556 /nfs/dbraw/zinc/51/35/56/1069513556.db2.gz PHLRFQDXMSTCQK-UHFFFAOYSA-N 0 0 469.590 1.176 20 0 JDADRN O=c1[nH]c2ccc(S(=O)(=O)NCCN(Cc3ccccc3)c3ccccn3)cc2[nH]c1=O ZINC001475649324 1069513783 /nfs/dbraw/zinc/51/37/83/1069513783.db2.gz GABOPVRSPMBVAQ-UHFFFAOYSA-N 0 0 451.508 1.597 20 0 JDADRN CS(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)C1 ZINC001475649781 1069514009 /nfs/dbraw/zinc/51/40/09/1069514009.db2.gz SFKMZIBRRYWLPK-LRDDRELGSA-N 0 0 451.408 1.507 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001501409414 1069514313 /nfs/dbraw/zinc/51/43/13/1069514313.db2.gz AFPIZXBXLVBADA-UHFFFAOYSA-N 0 0 451.506 1.920 20 0 JDADRN O=S(=O)(NC1CCN(c2ncccn2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001475651006 1069514464 /nfs/dbraw/zinc/51/44/64/1069514464.db2.gz GBIZSYIULFNHSX-UHFFFAOYSA-N 0 0 451.574 1.208 20 0 JDADRN CN(CCCn1cnc2c1ncnc2N)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC001475653310 1069515298 /nfs/dbraw/zinc/51/52/98/1069515298.db2.gz WCPUENHIVWRDHP-UHFFFAOYSA-N 0 0 457.438 1.620 20 0 JDADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCC[C@H]3CNC(=O)c3cnn(C)c3)cc21 ZINC001475652373 1069514741 /nfs/dbraw/zinc/51/47/41/1069514741.db2.gz CTCOMEZKKQGCAY-QAPCUYQASA-N 0 0 459.572 1.863 20 0 JDADRN COC(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)n(C)c1 ZINC001475654128 1069515805 /nfs/dbraw/zinc/51/58/05/1069515805.db2.gz KJMJJGFQEFZQBP-UHFFFAOYSA-N 0 0 450.517 1.141 20 0 JDADRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2nc(Cc3ccccc3F)no2)c(F)c1 ZINC001475666858 1069519574 /nfs/dbraw/zinc/51/95/74/1069519574.db2.gz SVQQYNZEKBZMGF-UHFFFAOYSA-N 0 0 458.468 1.789 20 0 JDADRN CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc1 ZINC001475654448 1069515895 /nfs/dbraw/zinc/51/58/95/1069515895.db2.gz RICBGCJDGFUKLQ-UHFFFAOYSA-N 0 0 458.540 1.900 20 0 JDADRN Cc1nc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)sc1C(N)=O ZINC001475653700 1069515949 /nfs/dbraw/zinc/51/59/49/1069515949.db2.gz WECAFGWQCRRKLR-CQSZACIVSA-N 0 0 456.977 1.928 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001501413543 1069515924 /nfs/dbraw/zinc/51/59/24/1069515924.db2.gz HXXPDKCPVCBJON-INIZCTEOSA-N 0 0 463.608 1.722 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001501413628 1069516039 /nfs/dbraw/zinc/51/60/39/1069516039.db2.gz LKDFCPPJISQQEY-UHFFFAOYSA-N 0 0 477.573 1.657 20 0 JDADRN CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 ZINC001475657809 1069516310 /nfs/dbraw/zinc/51/63/10/1069516310.db2.gz VKSHREQFRTUUKS-KURKYZTESA-N 0 0 458.602 1.052 20 0 JDADRN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C1 ZINC001475657836 1069516464 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CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001496209893 1070835853 /nfs/dbraw/zinc/83/58/53/1070835853.db2.gz FOHGRCHVGAGDBC-VQTJNVASSA-N 0 0 475.638 1.368 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 ZINC001496210171 1070835890 /nfs/dbraw/zinc/83/58/90/1070835890.db2.gz HASJVERFPKLRTJ-MRXNPFEDSA-N 0 0 475.594 1.723 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001496239003 1070839264 /nfs/dbraw/zinc/83/92/64/1070839264.db2.gz VDAFJIHYSJWVPX-MRXNPFEDSA-N 0 0 494.618 1.349 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCCNS(C)(=O)=O ZINC001504108781 1070836045 /nfs/dbraw/zinc/83/60/45/1070836045.db2.gz DXWYNWAGSHMYEC-CQSZACIVSA-N 0 0 484.966 1.187 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(Cc4cscn4)CC3)n2CCC(=O)NC(C)C)CCOC1 ZINC001502726128 1070836099 /nfs/dbraw/zinc/83/60/99/1070836099.db2.gz PTIVHLAHBLAPNX-QFIPXVFZSA-N 0 0 477.635 1.624 20 0 JDADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)c1 ZINC001496212771 1070836101 /nfs/dbraw/zinc/83/61/01/1070836101.db2.gz MTEZBCQGMIXUNS-QGZVFWFLSA-N 0 0 481.601 1.679 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](C)OC ZINC001504108700 1070836177 /nfs/dbraw/zinc/83/61/77/1070836177.db2.gz VNGHPGKHWKFDNJ-OAHLLOKOSA-N 0 0 450.971 1.852 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@](C)(O)C1CC1 ZINC001504108603 1070836207 /nfs/dbraw/zinc/83/62/07/1070836207.db2.gz VBSYHWBNWVJNNU-FQEVSTJZSA-N 0 0 469.995 1.850 20 0 JDADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)c1 ZINC001496212767 1070836212 /nfs/dbraw/zinc/83/62/12/1070836212.db2.gz MTEZBCQGMIXUNS-KRWDZBQOSA-N 0 0 481.601 1.679 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001496210783 1070836245 /nfs/dbraw/zinc/83/62/45/1070836245.db2.gz IDENNRJNFRIIIR-HNNXBMFYSA-N 0 0 458.567 1.894 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC[C@H]2CCO[C@H](C)C2)CCOC1 ZINC001502726236 1070836338 /nfs/dbraw/zinc/83/63/38/1070836338.db2.gz RKYBYEJXPZQRTP-LMVRJCEZSA-N 0 0 485.651 1.606 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC[C@H]2CCO[C@@H](C)C2)CCOC1 ZINC001502726238 1070836445 /nfs/dbraw/zinc/83/64/45/1070836445.db2.gz RKYBYEJXPZQRTP-ZVVDCOBXSA-N 0 0 485.651 1.606 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001496212863 1070836456 /nfs/dbraw/zinc/83/64/56/1070836456.db2.gz NPJSUJKXTHCXNJ-HOTGVXAUSA-N 0 0 454.535 1.041 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001496213448 1070836512 /nfs/dbraw/zinc/83/65/12/1070836512.db2.gz PAVYWYSAKGPDCX-IAGOWNOFSA-N 0 0 477.610 1.922 20 0 JDADRN COc1cc(F)cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(N)=O)CC2)c1 ZINC001504109016 1070836536 /nfs/dbraw/zinc/83/65/36/1070836536.db2.gz GHXYIWUBAFQTKH-UHFFFAOYSA-N 0 0 453.478 1.823 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001496214220 1070836568 /nfs/dbraw/zinc/83/65/68/1070836568.db2.gz RGXWFVPGNBJLJY-YLJYHZDGSA-N 0 0 485.637 1.944 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2CCCC(=O)N(CC)CC)CCOC1 ZINC001502726306 1070836644 /nfs/dbraw/zinc/83/66/44/1070836644.db2.gz SQVXWAYKHIEOGS-GOTSBHOMSA-N 0 0 478.594 1.610 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCc2cc(F)cc(F)c2)CCOC1 ZINC001502726309 1070836688 /nfs/dbraw/zinc/83/66/88/1070836688.db2.gz SUBCRZXGJQASLS-AOMKIAJQSA-N 0 0 499.584 1.921 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 ZINC001502728656 1070838922 /nfs/dbraw/zinc/83/89/22/1070838922.db2.gz JFBWFPQOXWUGGM-ZRCGQRJVSA-N 0 0 451.612 1.760 20 0 JDADRN COc1cc(Cl)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001504109729 1070836784 /nfs/dbraw/zinc/83/67/84/1070836784.db2.gz WXXQPUSQXXCAGA-UONOGXRCSA-N 0 0 485.010 1.656 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001504110063 1070836866 /nfs/dbraw/zinc/83/68/66/1070836866.db2.gz LTESZCGTJZTNKQ-UHFFFAOYSA-N 0 0 456.934 1.989 20 0 JDADRN COc1cc(Cl)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001504109985 1070836873 /nfs/dbraw/zinc/83/68/73/1070836873.db2.gz DIZDLJMLUXUDOE-CABCVRRESA-N 0 0 453.952 1.563 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001496215927 1070836887 /nfs/dbraw/zinc/83/68/87/1070836887.db2.gz YEIGPEBGHMMYAG-GVDBMIGSSA-N 0 0 459.551 1.470 20 0 JDADRN COc1cc(Cl)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001504109886 1070836889 /nfs/dbraw/zinc/83/68/89/1070836889.db2.gz YERIKAJVYSWLTN-SFHVURJKSA-N 0 0 490.992 1.954 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(Cc4ccccc4OC)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502726369 1070836969 /nfs/dbraw/zinc/83/69/69/1070836969.db2.gz UILJMAXTACJILN-DEOSSOPVSA-N 0 0 472.590 1.349 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(Cl)cc2)CCOC1 ZINC001502726364 1070836981 /nfs/dbraw/zinc/83/69/81/1070836981.db2.gz UHPRWFCSPNRMGJ-HXUWFJFHSA-N 0 0 469.995 1.714 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2ccc(COC)cc2)CCOC1 ZINC001502726377 1070837006 /nfs/dbraw/zinc/83/70/06/1070837006.db2.gz UMELDDYRTNCARG-FDDCHVKYSA-N 0 0 493.630 1.595 20 0 JDADRN COc1cc(N[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCS(C)(=O)=O)C2)cc(OC)c1 ZINC001504114179 1070838925 /nfs/dbraw/zinc/83/89/25/1070838925.db2.gz HUTUOTNAJILSCQ-MRXNPFEDSA-N 0 0 494.618 1.559 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2ccc(COC)cc2)CCOC1 ZINC001502726378 1070837040 /nfs/dbraw/zinc/83/70/40/1070837040.db2.gz UMELDDYRTNCARG-MBSDFSHPSA-N 0 0 493.630 1.595 20 0 JDADRN COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001504110221 1070837107 /nfs/dbraw/zinc/83/71/07/1070837107.db2.gz PQCBWDWTANJLOB-OAHLLOKOSA-N 0 0 496.609 1.825 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C)C2)n1CCN1CCCS1(=O)=O ZINC001504110659 1070837135 /nfs/dbraw/zinc/83/71/35/1070837135.db2.gz QDZZXKCACIGDMJ-AWEZNQCLSA-N 0 0 455.968 1.868 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001496219189 1070837210 /nfs/dbraw/zinc/83/72/10/1070837210.db2.gz AOEJDTLJCUOEHC-CVEARBPZSA-N 0 0 492.650 1.217 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001496222377 1070837222 /nfs/dbraw/zinc/83/72/22/1070837222.db2.gz KDAQNYKYCOSULE-ZWKOTPCHSA-N 0 0 492.646 1.681 20 0 JDADRN COc1cc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(=O)N(C)C)CC2)ccc1F ZINC001504114232 1070838978 /nfs/dbraw/zinc/83/89/78/1070838978.db2.gz ISIQOAZFUQKRJL-KRWDZBQOSA-N 0 0 459.526 1.182 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001496236553 1070838986 /nfs/dbraw/zinc/83/89/86/1070838986.db2.gz GHUACTPUXPECDC-NVXWUHKLSA-N 0 0 479.603 1.890 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 ZINC001502726406 1070837331 /nfs/dbraw/zinc/83/73/31/1070837331.db2.gz VAQDAUKLHKIXTL-MWTRTKDXSA-N 0 0 493.609 1.447 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 ZINC001502726420 1070837367 /nfs/dbraw/zinc/83/73/67/1070837367.db2.gz VMHFZVKKCZGLAI-PMUMKWKESA-N 0 0 463.457 1.538 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 ZINC001502726405 1070837428 /nfs/dbraw/zinc/83/74/28/1070837428.db2.gz VAQDAUKLHKIXTL-HJPURHCSSA-N 0 0 493.609 1.447 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 ZINC001502726408 1070837443 /nfs/dbraw/zinc/83/74/43/1070837443.db2.gz VAQDAUKLHKIXTL-WAIKUNEKSA-N 0 0 493.609 1.447 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001496223555 1070837613 /nfs/dbraw/zinc/83/76/13/1070837613.db2.gz OOJDOEBFLHMNAR-QAETUUGQSA-N 0 0 456.613 1.198 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC2CCC(OC)CC2)CCOC1 ZINC001502729182 1070839276 /nfs/dbraw/zinc/83/92/76/1070839276.db2.gz LTXFJDLOMHAIIJ-JSNHQESWSA-N 0 0 451.568 1.087 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CCc2nc(C)c(C)s2)CCOC1 ZINC001502726583 1070837771 /nfs/dbraw/zinc/83/77/71/1070837771.db2.gz YBYBIMGFHXGCIX-JOCHJYFZSA-N 0 0 478.619 1.541 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001496223951 1070837876 /nfs/dbraw/zinc/83/78/76/1070837876.db2.gz SRCCVQVGEZRLMN-TWOQFEAHSA-N 0 0 458.629 1.589 20 0 JDADRN COc1cc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)cc(OC)c1OC ZINC001504111641 1070837875 /nfs/dbraw/zinc/83/78/75/1070837875.db2.gz KHPHNQZSPJCEJP-YEJXKQKISA-N 0 0 496.590 1.160 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001496236552 1070839099 /nfs/dbraw/zinc/83/90/99/1070839099.db2.gz GHUACTPUXPECDC-DOTOQJQBSA-N 0 0 479.603 1.890 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 ZINC001502727482 1070837963 /nfs/dbraw/zinc/83/79/63/1070837963.db2.gz AIKLEPNYIPMCKW-BIENJYKASA-N 0 0 461.485 1.612 20 0 JDADRN CCO[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCOC1 ZINC001502727501 1070837996 /nfs/dbraw/zinc/83/79/96/1070837996.db2.gz AKDBHDDZIUFWGZ-OPAMFIHVSA-N 0 0 466.583 1.512 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 ZINC001502727489 1070838027 /nfs/dbraw/zinc/83/80/27/1070838027.db2.gz AIKLEPNYIPMCKW-PJIJBLCYSA-N 0 0 461.485 1.612 20 0 JDADRN CCO[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCOC1 ZINC001502729075 1070839351 /nfs/dbraw/zinc/83/93/51/1070839351.db2.gz KZSTYPVIZNBBPK-FDDCHVKYSA-N 0 0 478.544 1.838 20 0 JDADRN COc1cc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCCCO3)CC2)ccc1F ZINC001504114794 1070839355 /nfs/dbraw/zinc/83/93/55/1070839355.db2.gz VAPQDRSINSNKOU-SJLPKXTDSA-N 0 0 496.609 1.932 20 0 JDADRN 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XAUWABQNPIPWQL-INIZCTEOSA-N 0 0 456.528 1.119 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CCO[C@H]2C)cc1Br ZINC001504172705 1070864068 /nfs/dbraw/zinc/86/40/68/1070864068.db2.gz AGEUDBUHSDVQOD-YEJXKQKISA-N 0 0 494.390 1.958 20 0 JDADRN COc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H]2CCOC[C@@H]2OC)c(OC)c1 ZINC001504160471 1070860736 /nfs/dbraw/zinc/86/07/36/1070860736.db2.gz ZLQODQUHYMIIGJ-UWJYYQICSA-N 0 0 489.573 1.309 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@]2(O)CCOC2)cc1OC ZINC001502811240 1070860739 /nfs/dbraw/zinc/86/07/39/1070860739.db2.gz KBTUZNLTZIRQJC-HSZRJFAPSA-N 0 0 459.547 1.562 20 0 JDADRN COc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H]2CCOC[C@H]2OC)c(OC)c1 ZINC001504160467 1070860818 /nfs/dbraw/zinc/86/08/18/1070860818.db2.gz ZLQODQUHYMIIGJ-LAUBAEHRSA-N 0 0 489.573 1.309 20 0 JDADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)c(OC)c1 ZINC001504160435 1070860855 /nfs/dbraw/zinc/86/08/55/1070860855.db2.gz YZAIOCVYFHBKMJ-IAGOWNOFSA-N 0 0 479.603 1.306 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@@]2(O)CCOC2)cc1OC ZINC001502811242 1070860869 /nfs/dbraw/zinc/86/08/69/1070860869.db2.gz KBTUZNLTZIRQJC-QHCPKHFHSA-N 0 0 459.547 1.562 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(O)CCOC2)cc1OC ZINC001502810654 1070860917 /nfs/dbraw/zinc/86/09/17/1070860917.db2.gz CWNLDBFJEFRAQE-FDDCHVKYSA-N 0 0 494.614 1.907 20 0 JDADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2Cc2cnnn2C)c(OC)c1 ZINC001504164503 1070861077 /nfs/dbraw/zinc/86/10/77/1070861077.db2.gz LEYGLSUWGSZXJG-INIZCTEOSA-N 0 0 454.535 1.444 20 0 JDADRN COc1ccc(-c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2C[C@]2(O)CCOC2)c(OC)c1 ZINC001504163852 1070861100 /nfs/dbraw/zinc/86/11/00/1070861100.db2.gz GFHMOPHDZSYDLP-UZUQRXQVSA-N 0 0 459.547 1.418 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2C[C@@H]2CC[C@H](CO)O2)cc1OC ZINC001502812609 1070861030 /nfs/dbraw/zinc/86/10/30/1070861030.db2.gz DXICXZVKHKZBKK-LSTHTHJFSA-N 0 0 473.574 1.949 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2CC2([S@](C)=O)CC2)cc1OC ZINC001502812717 1070861045 /nfs/dbraw/zinc/86/10/45/1070861045.db2.gz IMULADZKUVAPRZ-YTTGMZPUSA-N 0 0 461.588 1.932 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2CC2([S@@](C)=O)CC2)cc1OC ZINC001502812716 1070861103 /nfs/dbraw/zinc/86/11/03/1070861103.db2.gz IMULADZKUVAPRZ-JGCGQSQUSA-N 0 0 461.588 1.932 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC(=O)NCc2ccco2)cc1OC ZINC001502812581 1070861112 /nfs/dbraw/zinc/86/11/12/1070861112.db2.gz DMJUHAWBNTUROF-UHFFFAOYSA-N 0 0 497.556 1.723 20 0 JDADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2Cc2ccc(C(N)=O)nc2)cc1OC ZINC001504164854 1070861302 /nfs/dbraw/zinc/86/13/02/1070861302.db2.gz PZHKMVIJEXQSMB-SFHVURJKSA-N 0 0 493.568 1.809 20 0 JDADRN COc1ccc(-c2nnc(N(C)CCc3cnccn3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC001504165768 1070861356 /nfs/dbraw/zinc/86/13/56/1070861356.db2.gz NHTLOENYHMSMNN-MWTRTKDXSA-N 0 0 454.531 1.971 20 0 JDADRN COc1ccc(-c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2C[C@H](C)N2CCOCC2)c(OC)c1 ZINC001504165659 1070861413 /nfs/dbraw/zinc/86/14/13/1070861413.db2.gz YGSMBDFERNUSBF-ICSRJNTNSA-N 0 0 486.617 1.988 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CCC2(O)CCOCC2)cc1OC ZINC001502812951 1070861456 /nfs/dbraw/zinc/86/14/56/1070861456.db2.gz PXXFDIDHSBOEMS-UHFFFAOYSA-N 0 0 488.589 1.745 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CCCN2CCOC2=O)cc1OC ZINC001502813063 1070861641 /nfs/dbraw/zinc/86/16/41/1070861641.db2.gz UTVVRFZTKUOBSD-UHFFFAOYSA-N 0 0 487.561 1.656 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCCNS(C)(=O)=O)cc1OC ZINC001502813023 1070861687 /nfs/dbraw/zinc/86/16/87/1070861687.db2.gz SJWIZPIYLFORIO-MRXNPFEDSA-N 0 0 494.618 1.349 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2C[C@@]2(C)COCCO2)cc1OC ZINC001502813206 1070861708 /nfs/dbraw/zinc/86/17/08/1070861708.db2.gz YYENLTJTBKQKDG-DEOSSOPVSA-N 0 0 489.573 1.453 20 0 JDADRN COc1ccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)N2CCOCC2)cc1OC ZINC001504167681 1070861913 /nfs/dbraw/zinc/86/19/13/1070861913.db2.gz CNZNYFXSNFLNTB-IBGZPJMESA-N 0 0 474.606 1.451 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCS(C)(=O)=O)cc1OC ZINC001502813574 1070862023 /nfs/dbraw/zinc/86/20/23/1070862023.db2.gz FGTTXCKUZWRYNT-UHFFFAOYSA-N 0 0 463.560 1.208 20 0 JDADRN COc1ccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CCS(C)(=O)=O)c(OC)c1 ZINC001504167783 1070862258 /nfs/dbraw/zinc/86/22/58/1070862258.db2.gz DXJJJABSXKDRPJ-UHFFFAOYSA-N 0 0 481.619 1.554 20 0 JDADRN COc1ccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CCN2CCN(C(C)=O)CC2)cc1 ZINC001504167817 1070862340 /nfs/dbraw/zinc/86/23/40/1070862340.db2.gz FZQXMMBGNNWTQU-UHFFFAOYSA-N 0 0 499.660 1.665 20 0 JDADRN COc1ccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@]2(O)CCOC2)cc1OC ZINC001504167880 1070862348 /nfs/dbraw/zinc/86/23/48/1070862348.db2.gz IGNTYMQPNWQXTK-XMMPIXPASA-N 0 0 475.590 1.661 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@H](COC)OC)cc1OC ZINC001502813874 1070862601 /nfs/dbraw/zinc/86/26/01/1070862601.db2.gz MMAMOFDTVHBDAR-QZTJIDSGSA-N 0 0 459.547 1.825 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2CCCS(C)(=O)=O)cc1OC ZINC001502813715 1070862622 /nfs/dbraw/zinc/86/26/22/1070862622.db2.gz IXLGGHMIXKAMTO-JOCHJYFZSA-N 0 0 493.586 1.818 20 0 JDADRN COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1OC ZINC001504173023 1070864299 /nfs/dbraw/zinc/86/42/99/1070864299.db2.gz PDSFILQZPATJRW-MRXNPFEDSA-N 0 0 494.614 1.906 20 0 JDADRN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC001504172857 1070864320 /nfs/dbraw/zinc/86/43/20/1070864320.db2.gz UYVRMEFYFPNGOX-CABCVRRESA-N 0 0 463.560 1.064 20 0 JDADRN COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC2(O)CC2)cc1Br ZINC001504168075 1070862687 /nfs/dbraw/zinc/86/26/87/1070862687.db2.gz PLMIPPSNDRAJGN-UHFFFAOYSA-N 0 0 459.366 1.722 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@H]2CCC(=O)N2)cc1OC ZINC001502813991 1070862943 /nfs/dbraw/zinc/86/29/43/1070862943.db2.gz QKJXLNHNXFDUBW-DOTOQJQBSA-N 0 0 492.602 1.101 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC(=O)N(C)CC)cc1OC ZINC001502814088 1070862966 /nfs/dbraw/zinc/86/29/66/1070862966.db2.gz TVFLYFFPSGLUOV-UHFFFAOYSA-N 0 0 456.547 1.642 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2Cc2cnn(C)c2)cc1OC ZINC001502814113 1070863010 /nfs/dbraw/zinc/86/30/10/1070863010.db2.gz UDPDQYAFPAEHKL-UHFFFAOYSA-N 0 0 496.616 1.781 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCS(=O)(=O)CC)cc1OC ZINC001502813983 1070863019 /nfs/dbraw/zinc/86/30/19/1070863019.db2.gz QFMNIOHPKYHHGP-KRWDZBQOSA-N 0 0 492.602 1.343 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC(C)(C)O)cc1OC ZINC001502814022 1070863029 /nfs/dbraw/zinc/86/30/29/1070863029.db2.gz RINWXTDYXACXPJ-UHFFFAOYSA-N 0 0 460.579 1.334 20 0 JDADRN COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](N4CCN(C(C)=O)CC4)C3)n2CC(=O)N(C)C)cc1 ZINC001504168923 1070862940 /nfs/dbraw/zinc/86/29/40/1070862940.db2.gz FVEHUFVTPMJFKZ-DYESRHJHSA-N 0 0 469.590 1.031 20 0 JDADRN COc1ccc(-c2nnc(N3C[C@H](N4CCN(C(C)=O)CC4)[C@@H](C)C3)n2CCCC(=O)N(C)C)cc1 ZINC001504169465 1070863104 /nfs/dbraw/zinc/86/31/04/1070863104.db2.gz KCCSVTBLJFDQAV-CVDCTZTESA-N 0 0 497.644 1.811 20 0 JDADRN COc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2(O)CCS(=O)(=O)CC2)c(OC)c1 ZINC001504169701 1070863159 /nfs/dbraw/zinc/86/31/59/1070863159.db2.gz CXJSACIGXGUCOS-INIZCTEOSA-N 0 0 494.614 1.906 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@](C)(O)CC)cc1OC ZINC001502814399 1070863190 /nfs/dbraw/zinc/86/31/90/1070863190.db2.gz YISJPDJKYIAMOF-KSFYIVLOSA-N 0 0 481.619 1.984 20 0 JDADRN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H]2CCC(=O)N2)cc1Br ZINC001504173311 1070864574 /nfs/dbraw/zinc/86/45/74/1070864574.db2.gz XWBJRVOCADWRQR-GXTWGEPZSA-N 0 0 477.363 1.662 20 0 JDADRN CCOc1ccc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)cc1 ZINC001502823048 1070864669 /nfs/dbraw/zinc/86/46/69/1070864669.db2.gz IDOMYGBIIJKCLT-PKOBYXMFSA-N 0 0 482.628 1.965 20 0 JDADRN CCOc1ccc(-c2nnc(N3C[C@@H]4[C@H](OC)CC[C@@H]4C3)n2CCS(=O)(=O)NC)cc1OC ZINC001502821921 1070864719 /nfs/dbraw/zinc/86/47/19/1070864719.db2.gz WXRRNDWSMZUTGO-FGTMMUONSA-N 0 0 479.603 1.763 20 0 JDADRN CCOc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)cc1 ZINC001502823046 1070864727 /nfs/dbraw/zinc/86/47/27/1070864727.db2.gz IDOMYGBIIJKCLT-IEBWSBKVSA-N 0 0 482.628 1.965 20 0 JDADRN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC(=O)N(C)C)cc1Br ZINC001504173708 1070864742 /nfs/dbraw/zinc/86/47/42/1070864742.db2.gz YTKCPRCWNIXFGS-CYBMUJFWSA-N 0 0 479.379 1.861 20 0 JDADRN CCOc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)C2)cc1OCC ZINC001502822417 1070864790 /nfs/dbraw/zinc/86/47/90/1070864790.db2.gz CCRZQPTWLYOWTB-UHFFFAOYSA-N 0 0 458.563 1.735 20 0 JDADRN COc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCNC(=O)c2ccn[nH]2)c(OC)c1 ZINC001504174894 1070864866 /nfs/dbraw/zinc/86/48/66/1070864866.db2.gz ABZTZGXYWSOCQD-GJZGRUSLSA-N 0 0 455.519 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/nfs/dbraw/zinc/86/89/22/1070868922.db2.gz SEJCSODRAGNRNE-AZUAARDMSA-N 0 0 499.616 1.293 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2Cc2cnnn2C)cc1 ZINC001502857543 1070868953 /nfs/dbraw/zinc/86/89/53/1070868953.db2.gz VGZQLKTYGQJKBY-WAIKUNEKSA-N 0 0 468.562 1.956 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN2CCN(C(C)=O)CC2)cc1 ZINC001502857387 1070868963 /nfs/dbraw/zinc/86/89/63/1070868963.db2.gz SEJCSODRAGNRNE-UYAOXDASSA-N 0 0 499.616 1.293 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 ZINC001504185034 1070868957 /nfs/dbraw/zinc/86/89/57/1070868957.db2.gz JTYXUWMSADFQJK-IBGZPJMESA-N 0 0 491.614 1.890 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC001504185083 1070869096 /nfs/dbraw/zinc/86/90/96/1070869096.db2.gz KDWAZBBTJMGVQE-ZBFHGGJFSA-N 0 0 484.600 1.020 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2cnnn2C)cc1 ZINC001502857783 1070869245 /nfs/dbraw/zinc/86/92/45/1070869245.db2.gz YLYCJPSOVKAVNL-NYHFZMIOSA-N 0 0 454.535 1.695 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)c(OC)c1 ZINC001504185444 1070869295 /nfs/dbraw/zinc/86/92/95/1070869295.db2.gz NMMVDMCKQFRMIV-VQTJNVASSA-N 0 0 473.574 1.855 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CCC(=O)N2CCOCC2)cc1 ZINC001504185375 1070869349 /nfs/dbraw/zinc/86/93/49/1070869349.db2.gz VIHRNMIGEDZORJ-UHFFFAOYSA-N 0 0 470.574 1.650 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCS(C)(=O)=O)cc1 ZINC001502865003 1070869424 /nfs/dbraw/zinc/86/94/24/1070869424.db2.gz DJORKGPIESYZSM-IAGOWNOFSA-N 0 0 479.603 1.918 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCNS(C)(=O)=O)cc1 ZINC001502862328 1070869445 /nfs/dbraw/zinc/86/94/45/1070869445.db2.gz GYIDBNGTZYGTRQ-ZHRRBRCNSA-N 0 0 492.602 1.225 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CCS(C)(=O)=O)cc1 ZINC001502865002 1070869501 /nfs/dbraw/zinc/86/95/01/1070869501.db2.gz DJORKGPIESYZSM-DLBZAZTESA-N 0 0 479.603 1.918 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCCNC(C)=O)cc1 ZINC001502863172 1070869545 /nfs/dbraw/zinc/86/95/45/1070869545.db2.gz SUSUIFTYKFRJJX-KRWDZBQOSA-N 0 0 495.584 1.999 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2Cc2cnnn2C)cc1OC ZINC001504185751 1070869530 /nfs/dbraw/zinc/86/95/30/1070869530.db2.gz OTBZFILAYUJQIP-UHFFFAOYSA-N 0 0 454.535 1.492 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001502865573 1070869807 /nfs/dbraw/zinc/86/98/07/1070869807.db2.gz MJLCJFXVHHRWEF-VGSWGCGISA-N 0 0 480.587 1.593 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCNC(C)=O)cc1OC ZINC001504186248 1070869919 /nfs/dbraw/zinc/86/99/19/1070869919.db2.gz VIGFKAYULGGTBD-INIZCTEOSA-N 0 0 451.549 1.112 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCO[C@H]2CCOC2)cc1OC ZINC001504186103 1070869961 /nfs/dbraw/zinc/86/99/61/1070869961.db2.gz RTVUZBREJDKQPF-ROUUACIJSA-N 0 0 480.587 1.781 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2CCCS(C)(=O)=O)cc1 ZINC001502867745 1070870011 /nfs/dbraw/zinc/87/00/11/1070870011.db2.gz JYFMCVRTCNUVLI-MRXNPFEDSA-N 0 0 465.576 1.578 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC001504191425 1070872141 /nfs/dbraw/zinc/87/21/41/1070872141.db2.gz TUVQXPNLSBKEOG-SJLPKXTDSA-N 0 0 479.603 1.859 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)C3)n2CCN2CCN(C(C)=O)CC2)cc1 ZINC001502867952 1070870111 /nfs/dbraw/zinc/87/01/11/1070870111.db2.gz LRYIBQKRCMDLTD-IBGZPJMESA-N 0 0 499.616 1.259 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCN2CC=CCC2)c(OC)c1 ZINC001504186321 1070870188 /nfs/dbraw/zinc/87/01/88/1070870188.db2.gz WMVGQOWOHKKVQQ-SFHVURJKSA-N 0 0 461.588 1.848 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCN2CCOC[C@@H]2C)c(OC)c1 ZINC001504186307 1070870232 /nfs/dbraw/zinc/87/02/32/1070870232.db2.gz WIBRGEMBAQUNOZ-FUHWJXTLSA-N 0 0 479.603 1.306 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCC(=O)NC(C)C)c(OC)c1 ZINC001504186351 1070870236 /nfs/dbraw/zinc/87/02/36/1070870236.db2.gz XFDRQPPDYMJQRL-QHCPKHFHSA-N 0 0 456.547 1.736 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCS(C)(=O)=O)c(OC)c1 ZINC001504186528 1070870249 /nfs/dbraw/zinc/87/02/49/1070870249.db2.gz YWHADGIORXFFRN-UHFFFAOYSA-N 0 0 472.589 1.020 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC2(C(N)=O)CCOCC2)cc1OC ZINC001504186191 1070870311 /nfs/dbraw/zinc/87/03/11/1070870311.db2.gz SZWFONYOJSJODI-UHFFFAOYSA-N 0 0 459.547 1.453 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCC(=O)NC)cc1 ZINC001502868229 1070870353 /nfs/dbraw/zinc/87/03/53/1070870353.db2.gz PCPYGQWGNBGAGP-HOTGVXAUSA-N 0 0 457.535 1.167 20 0 JDADRN COc1ccc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2CCC(=O)NC(C)C)cc1OC ZINC001504186298 1070870334 /nfs/dbraw/zinc/87/03/34/1070870334.db2.gz VZCBRIGWBDZDLA-UHFFFAOYSA-N 0 0 470.574 1.984 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@H](C)COC)cc1 ZINC001502868100 1070870439 /nfs/dbraw/zinc/87/04/39/1070870439.db2.gz MVLMCXIYODGFPA-KSZLIROESA-N 0 0 486.573 1.246 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001504186552 1070870515 /nfs/dbraw/zinc/87/05/15/1070870515.db2.gz ZIGRHCBQSUNQNR-QGZVFWFLSA-N 0 0 468.601 1.544 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCN2CCOCC2)cc1OC ZINC001504186687 1070870518 /nfs/dbraw/zinc/87/05/18/1070870518.db2.gz BTYWTQWYXPJCME-SFHVURJKSA-N 0 0 458.563 1.386 20 0 JDADRN COc1ccc(-c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCS(=O)(=O)N(C)C)c(OC)c1 ZINC001504187016 1070870554 /nfs/dbraw/zinc/87/05/54/1070870554.db2.gz AXONJJNAGVOCLL-UHFFFAOYSA-N 0 0 488.570 1.517 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2cnn(C)c2)cc1 ZINC001502868735 1070870640 /nfs/dbraw/zinc/87/06/40/1070870640.db2.gz VYTZVHXRPJOOMV-QGZVFWFLSA-N 0 0 489.602 1.680 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1OC ZINC001504187051 1070870651 /nfs/dbraw/zinc/87/06/51/1070870651.db2.gz JBVGWOHSKFKRSU-DLBZAZTESA-N 0 0 477.587 1.631 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(=O)NCC(F)F)cc1 ZINC001502868606 1070870746 /nfs/dbraw/zinc/87/07/46/1070870746.db2.gz UDJFAJPHOYFATM-CABCVRRESA-N 0 0 480.516 1.865 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@]2(O)CCOC2)cc1 ZINC001502868913 1070870817 /nfs/dbraw/zinc/87/08/17/1070870817.db2.gz YIVHZRMXMBOECV-QZMQVMSPSA-N 0 0 459.547 1.635 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1OC ZINC001504187729 1070870864 /nfs/dbraw/zinc/87/08/64/1070870864.db2.gz OZNBZVNQTRQAKX-ZBFHGGJFSA-N 0 0 463.560 1.099 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001504188530 1070870909 /nfs/dbraw/zinc/87/09/09/1070870909.db2.gz FGWOAUANOSEPSV-PXNSSMCTSA-N 0 0 452.602 1.835 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)N(C)C)cc1 ZINC001502871203 1070871019 /nfs/dbraw/zinc/87/10/19/1070871019.db2.gz LEGLJAFHNVICMK-HNNXBMFYSA-N 0 0 451.549 1.140 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC(=O)N(C)C)cc1Br ZINC001504192399 1070872482 /nfs/dbraw/zinc/87/24/82/1070872482.db2.gz PFHKYSXWRMAXJH-OAHLLOKOSA-N 0 0 479.379 1.909 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)n2CCCCCO)cc1 ZINC001504191637 1070872500 /nfs/dbraw/zinc/87/25/00/1070872500.db2.gz UDZGXHKQVVXKRP-OAQYLSRUSA-N 0 0 493.630 1.747 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2CC2(O)CC2)cc1 ZINC001502870673 1070871150 /nfs/dbraw/zinc/87/11/50/1070871150.db2.gz HEVPUFOPFWCSDU-OXJNMPFZSA-N 0 0 459.547 1.683 20 0 JDADRN CCOc1cccc(CCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001502875053 1070872337 /nfs/dbraw/zinc/87/23/37/1070872337.db2.gz VHSUWXJSCQHSHM-GOSISDBHSA-N 0 0 461.588 1.779 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCc2cn[nH]c2)c(OC)c1 ZINC001504191687 1070872317 /nfs/dbraw/zinc/87/23/17/1070872317.db2.gz VBTRTMOHSYHXKS-KRWDZBQOSA-N 0 0 460.560 1.942 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccn(C)n2)cc1OC ZINC001504188757 1070871273 /nfs/dbraw/zinc/87/12/73/1070871273.db2.gz GLYJGRHQCGGORW-QGZVFWFLSA-N 0 0 460.560 1.758 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCOCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001502871490 1070871359 /nfs/dbraw/zinc/87/13/59/1070871359.db2.gz PQOPGKCLKGFXEZ-QAPCUYQASA-N 0 0 458.519 1.642 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](CC(=O)OC)[C@H](O)C3)n2C[C@H]2CCC(=O)N2)cc1 ZINC001502871365 1070871392 /nfs/dbraw/zinc/87/13/92/1070871392.db2.gz NMVIMAQFLBUFGT-WOCWXWTJSA-N 0 0 487.557 1.456 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001504189447 1070871430 /nfs/dbraw/zinc/87/14/30/1070871430.db2.gz RJMBINLLNDVFQD-QGZVFWFLSA-N 0 0 476.603 1.340 20 0 JDADRN 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COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c(OC)c1 ZINC001504249344 1070926846 /nfs/dbraw/zinc/92/68/46/1070926846.db2.gz PEVLHVFZRJZAHT-FPOVZHCZSA-N 0 0 473.574 1.773 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001502975272 1070927088 /nfs/dbraw/zinc/92/70/88/1070927088.db2.gz IFEGZXKYMRZCBF-MSOLQXFVSA-N 0 0 482.628 1.637 20 0 JDADRN COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)cc1F ZINC001504250158 1070927485 /nfs/dbraw/zinc/92/74/85/1070927485.db2.gz WWFZGFLAYWYPRF-QGZVFWFLSA-N 0 0 479.578 1.662 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)cc1 ZINC001504247129 1070920404 /nfs/dbraw/zinc/92/04/04/1070920404.db2.gz ZPSSKHRHKBJTIW-HNNXBMFYSA-N 0 0 466.608 1.838 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC001504252369 1070928691 /nfs/dbraw/zinc/92/86/91/1070928691.db2.gz BOJWMEJNVPJEIA-ZWKOTPCHSA-N 0 0 476.603 1.464 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@]3(CCOC3)O2)C1 ZINC001502977146 1070929421 /nfs/dbraw/zinc/92/94/21/1070929421.db2.gz DWNLWDFTCNMZFK-TVKQPGBESA-N 0 0 457.597 1.232 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)C1 ZINC001502976926 1070929472 /nfs/dbraw/zinc/92/94/72/1070929472.db2.gz MESFYHILVMNWQJ-RDJZCZTQSA-N 0 0 484.648 1.684 20 0 JDADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC001504252165 1070929326 /nfs/dbraw/zinc/92/93/26/1070929326.db2.gz UGBJTAGZTLCZHB-INIZCTEOSA-N 0 0 475.550 1.801 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)C1 ZINC001502976921 1070929594 /nfs/dbraw/zinc/92/95/94/1070929594.db2.gz MESFYHILVMNWQJ-NVXWUHKLSA-N 0 0 484.648 1.684 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)cc1F ZINC001504253308 1070929761 /nfs/dbraw/zinc/92/97/61/1070929761.db2.gz AYZJTZIPPFZCCG-QRWLVFNGSA-N 0 0 454.524 1.116 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)cc1 ZINC001504253182 1070930145 /nfs/dbraw/zinc/93/01/45/1070930145.db2.gz ACFDVWYULGDGRM-OALUTQOASA-N 0 0 465.576 1.435 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 ZINC001502977851 1070930429 /nfs/dbraw/zinc/93/04/29/1070930429.db2.gz IZVWIKYPIIZROV-OAQYLSRUSA-N 0 0 494.600 1.408 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)cc1F ZINC001504253304 1070930265 /nfs/dbraw/zinc/93/02/65/1070930265.db2.gz AYZJTZIPPFZCCG-MGPUTAFESA-N 0 0 454.524 1.116 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)cc1F ZINC001504253310 1070930364 /nfs/dbraw/zinc/93/03/64/1070930364.db2.gz AYZJTZIPPFZCCG-YWZLYKJASA-N 0 0 454.524 1.116 20 0 JDADRN COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)N(C)C)c(OC)c1 ZINC001504253702 1070931096 /nfs/dbraw/zinc/93/10/96/1070931096.db2.gz IZGGWQVHWIWLOH-UHFFFAOYSA-N 0 0 460.560 1.885 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001502978446 1070931620 /nfs/dbraw/zinc/93/16/20/1070931620.db2.gz OZSMDRNLDJTHDX-TVFCKZIOSA-N 0 0 459.588 1.755 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OCCOC)CCOCC2)C1 ZINC001502978425 1070931664 /nfs/dbraw/zinc/93/16/64/1070931664.db2.gz OVTLKLSUKMQQHO-RTBURBONSA-N 0 0 486.635 1.398 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC2CCCCC2)C1 ZINC001502979520 1070934103 /nfs/dbraw/zinc/93/41/03/1070934103.db2.gz SSGKCAHMRSGLDZ-RTBURBONSA-N 0 0 498.650 1.065 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCS(=O)(=O)NC)C1 ZINC001502978114 1070932075 /nfs/dbraw/zinc/93/20/75/1070932075.db2.gz PNCAVDGGTUNWLG-MRXNPFEDSA-N 0 0 489.602 1.229 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2COCCO2)cc1 ZINC001504254748 1070932283 /nfs/dbraw/zinc/93/22/83/1070932283.db2.gz HBZBVYWRQYQXNE-WOJBJXKFSA-N 0 0 495.602 1.062 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)c(OC)c1 ZINC001504255221 1070932430 /nfs/dbraw/zinc/93/24/30/1070932430.db2.gz JEFIJXGNYLJENT-MRXNPFEDSA-N 0 0 455.519 1.589 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1OC ZINC001504254786 1070932591 /nfs/dbraw/zinc/93/25/91/1070932591.db2.gz HOKDJIWWQGAJLM-SJORKVTESA-N 0 0 498.627 1.269 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)cc1O ZINC001504254828 1070932636 /nfs/dbraw/zinc/93/26/36/1070932636.db2.gz HXHUMWOBRFEQAU-VQIMIIECSA-N 0 0 497.643 1.857 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)C1 ZINC001502979531 1070934260 /nfs/dbraw/zinc/93/42/60/1070934260.db2.gz STJLBLZXCFAYSU-QFBILLFUSA-N 0 0 465.576 1.735 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)C1 ZINC001502979522 1070934275 /nfs/dbraw/zinc/93/42/75/1070934275.db2.gz STJLBLZXCFAYSU-APWZRJJASA-N 0 0 465.576 1.735 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)C1 ZINC001502979528 1070934309 /nfs/dbraw/zinc/93/43/09/1070934309.db2.gz STJLBLZXCFAYSU-LPHOPBHVSA-N 0 0 465.576 1.735 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C2CC2)C1 ZINC001502978898 1070932976 /nfs/dbraw/zinc/93/29/76/1070932976.db2.gz QHFAWRRTWXXFJA-SQNIBIBYSA-N 0 0 457.597 1.041 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)C1 ZINC001502978509 1070933129 /nfs/dbraw/zinc/93/31/29/1070933129.db2.gz PIOSVNTZHPTNED-SJORKVTESA-N 0 0 450.561 1.948 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOCC2(C)C)C1 ZINC001502979018 1070933314 /nfs/dbraw/zinc/93/33/14/1070933314.db2.gz IOBAFOOUZMORSQ-DLBZAZTESA-N 0 0 458.629 1.004 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC=CO2)cc1O ZINC001504255421 1070933549 /nfs/dbraw/zinc/93/35/49/1070933549.db2.gz JXGRLFCQCAQUEV-PXNSSMCTSA-N 0 0 493.586 1.654 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC=CO2)cc1O ZINC001504255424 1070933653 /nfs/dbraw/zinc/93/36/53/1070933653.db2.gz JXGRLFCQCAQUEV-XLIONFOSSA-N 0 0 493.586 1.654 20 0 JDADRN CCOCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001502983753 1070938119 /nfs/dbraw/zinc/93/81/19/1070938119.db2.gz DZZHYCSGCBTMLM-UHFFFAOYSA-N 0 0 461.611 1.915 20 0 JDADRN CCO[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001502983855 1070938276 /nfs/dbraw/zinc/93/82/76/1070938276.db2.gz USGVZUSCCBMDEG-FQEVSTJZSA-N 0 0 494.614 1.811 20 0 JDADRN CCOCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001502987746 1070939696 /nfs/dbraw/zinc/93/96/96/1070939696.db2.gz GKEAMUNXZPUIGU-UHFFFAOYSA-N 0 0 453.551 1.343 20 0 JDADRN CCOCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001502986801 1070940016 /nfs/dbraw/zinc/94/00/16/1070940016.db2.gz VEPZJJURWMXXCO-GOSISDBHSA-N 0 0 485.589 1.816 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001502986154 1070940132 /nfs/dbraw/zinc/94/01/32/1070940132.db2.gz TUYIFZIVZBQIMQ-OKYOBFRVSA-N 0 0 471.624 1.289 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001502979569 1070934521 /nfs/dbraw/zinc/93/45/21/1070934521.db2.gz IWLYDBSCDJNOOP-WBVHZDCISA-N 0 0 486.639 1.761 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2NC(=O)CC2(C)C)cc1OC ZINC001504256207 1070935089 /nfs/dbraw/zinc/93/50/89/1070935089.db2.gz UPSQFFCTSLQNSD-MAUKXSAKSA-N 0 0 456.547 1.798 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001502980464 1070935282 /nfs/dbraw/zinc/93/52/82/1070935282.db2.gz LKQWHSJZEAASFI-IAGOWNOFSA-N 0 0 485.632 1.368 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1O ZINC001504256500 1070935613 /nfs/dbraw/zinc/93/56/13/1070935613.db2.gz NLZQTPOZKVRKJK-IRXDYDNUSA-N 0 0 498.627 1.356 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC2)c(OC)c1 ZINC001504256978 1070935707 /nfs/dbraw/zinc/93/57/07/1070935707.db2.gz POQRBCKOLNOTET-RDJZCZTQSA-N 0 0 450.561 1.870 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1O ZINC001504256481 1070935810 /nfs/dbraw/zinc/93/58/10/1070935810.db2.gz NLZQTPOZKVRKJK-DLBZAZTESA-N 0 0 498.627 1.356 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)cc1O ZINC001504256701 1070935927 /nfs/dbraw/zinc/93/59/27/1070935927.db2.gz XGCNABYIPJVFGW-QGZVFWFLSA-N 0 0 458.563 1.691 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)cc1F ZINC001504256657 1070936124 /nfs/dbraw/zinc/93/61/24/1070936124.db2.gz NUMVTLOCWIKLRW-SFHVURJKSA-N 0 0 483.566 1.432 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)C1 ZINC001502981411 1070936136 /nfs/dbraw/zinc/93/61/36/1070936136.db2.gz PXQXWVRINRKAGD-CRAIPNDOSA-N 0 0 474.591 1.727 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)C1 ZINC001502981413 1070936331 /nfs/dbraw/zinc/93/63/31/1070936331.db2.gz PXQXWVRINRKAGD-QAPCUYQASA-N 0 0 474.591 1.727 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccnc2)cc1 ZINC001504257231 1070936495 /nfs/dbraw/zinc/93/64/95/1070936495.db2.gz QVBDGQHHGMWZKE-NRFANRHFSA-N 0 0 486.598 1.894 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)cc1F ZINC001504257165 1070936869 /nfs/dbraw/zinc/93/68/69/1070936869.db2.gz PTQKECRKEOITTC-INIZCTEOSA-N 0 0 481.550 1.807 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CC2)cc1O ZINC001504257320 1070936987 /nfs/dbraw/zinc/93/69/87/1070936987.db2.gz ROFWPKNPQHWMNC-INCQDFKNSA-N 0 0 468.601 1.442 20 0 JDADRN CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001502983492 1070937149 /nfs/dbraw/zinc/93/71/49/1070937149.db2.gz PJTCKGKKXWLHLV-FTRWYGJKSA-N 0 0 459.613 1.335 20 0 JDADRN 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CN(CCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 ZINC001503637654 1071954291 /nfs/dbraw/zinc/95/42/91/1071954291.db2.gz RJHPJQNLBGYNTB-UHFFFAOYSA-N 0 0 488.589 1.769 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CSCCS1 ZINC001503637829 1071954438 /nfs/dbraw/zinc/95/44/38/1071954438.db2.gz URKVUAYAVILMGI-MRXNPFEDSA-N 0 0 466.658 1.846 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC=CO1 ZINC001503636890 1071951942 /nfs/dbraw/zinc/95/19/42/1071951942.db2.gz ZZRVXCNCVMVZOB-INIZCTEOSA-N 0 0 454.574 1.522 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1SCCc2ccccc21 ZINC001503636979 1071952406 /nfs/dbraw/zinc/95/24/06/1071952406.db2.gz AWTJIMGYMVHIES-WMZOPIPTSA-N 0 0 484.669 1.692 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CC2CC2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001503637051 1071952430 /nfs/dbraw/zinc/95/24/30/1071952430.db2.gz DMFRKNQTBAHUOY-QGZVFWFLSA-N 0 0 453.634 1.846 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(C(N)=O)CCCC1 ZINC001503637064 1071952460 /nfs/dbraw/zinc/95/24/60/1071952460.db2.gz DZDKXSJLAPVXBA-UHFFFAOYSA-N 0 0 458.588 1.877 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001504934570 1071952606 /nfs/dbraw/zinc/95/26/06/1071952606.db2.gz XMGSLSQFPINIFP-MIVHDCIWSA-N 0 0 457.579 1.654 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001503637118 1071952601 /nfs/dbraw/zinc/95/26/01/1071952601.db2.gz GWIOBUZEDMGQRS-HNNXBMFYSA-N 0 0 477.509 1.842 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCOCC1 ZINC001503637030 1071952651 /nfs/dbraw/zinc/95/26/51/1071952651.db2.gz DAKYRGDTEDLRRA-UHFFFAOYSA-N 0 0 457.547 1.350 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC1 ZINC001503637274 1071952975 /nfs/dbraw/zinc/95/29/75/1071952975.db2.gz IVMJOFLGSQKMRW-UHFFFAOYSA-N 0 0 451.568 1.354 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001503637345 1071953056 /nfs/dbraw/zinc/95/30/56/1071953056.db2.gz LBSKCDADSXWJGC-JOCHJYFZSA-N 0 0 484.626 1.818 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001503637291 1071953130 /nfs/dbraw/zinc/95/31/30/1071953130.db2.gz JJAVNAHYGAVZKK-QGZVFWFLSA-N 0 0 490.552 1.398 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 ZINC001503637129 1071953194 /nfs/dbraw/zinc/95/31/94/1071953194.db2.gz HCARDQUFEGAFEC-KRWDZBQOSA-N 0 0 463.560 1.317 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)C1 ZINC001504934755 1071953217 /nfs/dbraw/zinc/95/32/17/1071953217.db2.gz ZADZLYQEVQWQFQ-IRLDBZIGSA-N 0 0 499.660 1.742 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001503637577 1071953670 /nfs/dbraw/zinc/95/36/70/1071953670.db2.gz OMYSQFZOOKLTST-HNNXBMFYSA-N 0 0 458.581 1.314 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001503637567 1071953727 /nfs/dbraw/zinc/95/37/27/1071953727.db2.gz ODYJETZHJYCZKL-QFIPXVFZSA-N 0 0 484.626 1.646 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 ZINC001503637595 1071953793 /nfs/dbraw/zinc/95/37/93/1071953793.db2.gz OZMUIXYKFWBQMP-UHFFFAOYSA-N 0 0 471.543 1.020 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCO[C@H]2C)C1 ZINC001504934782 1071953944 /nfs/dbraw/zinc/95/39/44/1071953944.db2.gz VBHRFBPQPZNQTL-XRFWFDNBSA-N 0 0 489.621 1.047 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(F)c2)CC1 ZINC001504934796 1071954027 /nfs/dbraw/zinc/95/40/27/1071954027.db2.gz AHFLOMGAGONHBQ-IBGZPJMESA-N 0 0 458.538 1.590 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCO ZINC001503639289 1071957040 /nfs/dbraw/zinc/95/70/40/1071957040.db2.gz OJNKLATZJSWAMY-INIZCTEOSA-N 0 0 459.613 1.994 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001503639412 1071957056 /nfs/dbraw/zinc/95/70/56/1071957056.db2.gz GTMUTPLXCBHSEO-FPDPHYFHSA-N 0 0 452.552 1.842 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001504935385 1071957168 /nfs/dbraw/zinc/95/71/68/1071957168.db2.gz ZYAYDZOMSBWKGU-FCGDIQPGSA-N 0 0 457.579 1.775 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cccs2)CC1 ZINC001504935480 1071957266 /nfs/dbraw/zinc/95/72/66/1071957266.db2.gz HBWNAXGQXLJEGD-UHFFFAOYSA-N 0 0 483.598 1.811 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC(=O)N(C)C)CC1 ZINC001504935675 1071957342 /nfs/dbraw/zinc/95/73/42/1071957342.db2.gz HLPVSYHWXSWVBS-UHFFFAOYSA-N 0 0 460.554 1.932 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001503639712 1071957491 /nfs/dbraw/zinc/95/74/91/1071957491.db2.gz JATWRCYHIFYDBN-HXUWFJFHSA-N 0 0 454.575 1.889 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccn(C)n1 ZINC001503640277 1071957672 /nfs/dbraw/zinc/95/76/72/1071957672.db2.gz SPIADQMEMUHDCN-UHFFFAOYSA-N 0 0 452.968 1.968 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 ZINC001503641074 1071958196 /nfs/dbraw/zinc/95/81/96/1071958196.db2.gz RDNDKWCHTDKMFC-RBUKOAKNSA-N 0 0 461.588 1.154 20 0 JDADRN CN1C(=O)C[C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(F)(F)Br)CC[C@H]21 ZINC001503643100 1071960823 /nfs/dbraw/zinc/96/08/23/1071960823.db2.gz JTMUCIJXLSJVBX-NWDGAFQWSA-N 0 0 484.305 1.970 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOC)CC1 ZINC001504935648 1071958685 /nfs/dbraw/zinc/95/86/85/1071958685.db2.gz HXRTUOJQIWZODG-UHFFFAOYSA-N 0 0 469.384 1.672 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCOC2)C1 ZINC001504935668 1071958838 /nfs/dbraw/zinc/95/88/38/1071958838.db2.gz ZVCAOSIQQPLDSP-DFIYOIEZSA-N 0 0 487.601 1.684 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCOC2)C1 ZINC001504935671 1071958873 /nfs/dbraw/zinc/95/88/73/1071958873.db2.gz ZVCAOSIQQPLDSP-WZOHSFFVSA-N 0 0 487.601 1.684 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nncn1C ZINC001503641366 1071958821 /nfs/dbraw/zinc/95/88/21/1071958821.db2.gz ZJZPREQBHZZVJW-UHFFFAOYSA-N 0 0 474.374 1.822 20 0 JDADRN CN1C(=O)N[C@H](C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCS3(=O)=O)CC2)C1=O ZINC001503643174 1071960862 /nfs/dbraw/zinc/96/08/62/1071960862.db2.gz LSGSHYSXWWNXKL-FUHWJXTLSA-N 0 0 480.635 1.601 20 0 JDADRN CN1C(=O)N[C@@H](C2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCS3(=O)=O)CC2)C1=O ZINC001503643173 1071960870 /nfs/dbraw/zinc/96/08/70/1071960870.db2.gz LSGSHYSXWWNXKL-AEFFLSMTSA-N 0 0 480.635 1.601 20 0 JDADRN CN1C(=O)N[C@@H](C2CCN(c3nnc(C4CCCC4)n3CCS(=O)(=O)C(C)(C)C)CC2)C1=O ZINC001503643089 1071960907 /nfs/dbraw/zinc/96/09/07/1071960907.db2.gz JNBZTUKDEUURAN-KRWDZBQOSA-N 0 0 480.635 1.916 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001504935805 1071959205 /nfs/dbraw/zinc/95/92/05/1071959205.db2.gz JOFMGODYACKHFK-LJQANCHMSA-N 0 0 456.591 1.645 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503641822 1071959469 /nfs/dbraw/zinc/95/94/69/1071959469.db2.gz YDRMWMKZWUSWHV-OAHLLOKOSA-N 0 0 470.542 1.702 20 0 JDADRN CN1C(=O)N[C@H](C2CCN(c3nnc(C(C)(C)C)n3CC3CCS(=O)(=O)CC3)CC2)C1=O ZINC001503642759 1071959519 /nfs/dbraw/zinc/95/95/19/1071959519.db2.gz BPBKCCOFZTZSBX-MRXNPFEDSA-N 0 0 466.608 1.167 20 0 JDADRN CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC(=O)NCC2CC2)c1 ZINC001503641562 1071959532 /nfs/dbraw/zinc/95/95/32/1071959532.db2.gz YKWULRUBIFVWQG-GOSISDBHSA-N 0 0 476.603 1.337 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001503641932 1071959540 /nfs/dbraw/zinc/95/95/40/1071959540.db2.gz ZYKYYZZIFFZUFK-IAGOWNOFSA-N 0 0 468.601 1.269 20 0 JDADRN CN(C)S(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001503642982 1071960125 /nfs/dbraw/zinc/96/01/25/1071960125.db2.gz FWHIBORQMUULGC-VQTJNVASSA-N 0 0 474.631 1.402 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OC)CC1 ZINC001504935956 1071960337 /nfs/dbraw/zinc/96/03/37/1071960337.db2.gz MWNGVGJUQKWXQD-UHFFFAOYSA-N 0 0 452.519 1.166 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCS(C)(=O)=O)CC1 ZINC001504934871 1071954696 /nfs/dbraw/zinc/95/46/96/1071954696.db2.gz BOEXPKKPRPRJTB-UHFFFAOYSA-N 0 0 488.614 1.840 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@H]2C)C1 ZINC001504934912 1071954739 /nfs/dbraw/zinc/95/47/39/1071954739.db2.gz VZKSJRXGGTXXPV-MTQWCTHYSA-N 0 0 464.611 1.218 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCOCC1 ZINC001503638105 1071954915 /nfs/dbraw/zinc/95/49/15/1071954915.db2.gz BDCMLHDFLZOECM-UHFFFAOYSA-N 0 0 469.583 1.588 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(C(N)=O)cc2)C1 ZINC001504935115 1071955269 /nfs/dbraw/zinc/95/52/69/1071955269.db2.gz ZNWBDTQSNVCPLI-FXAWDEMLSA-N 0 0 456.591 1.991 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(C(N)=O)cc2)C1 ZINC001504935123 1071955422 /nfs/dbraw/zinc/95/54/22/1071955422.db2.gz ZNWBDTQSNVCPLI-YLJYHZDGSA-N 0 0 456.591 1.991 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F ZINC001503638322 1071955579 /nfs/dbraw/zinc/95/55/79/1071955579.db2.gz HZVGTBLLKVZMIU-ZDUSSCGKSA-N 0 0 494.565 1.212 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001503638220 1071955629 /nfs/dbraw/zinc/95/56/29/1071955629.db2.gz GCHPJURGFZTGGG-UHFFFAOYSA-N 0 0 484.623 1.281 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 ZINC001504935168 1071955979 /nfs/dbraw/zinc/95/59/79/1071955979.db2.gz ZXSZKQAXHVDWBL-GUDVDZBRSA-N 0 0 488.589 1.563 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001504935184 1071956058 /nfs/dbraw/zinc/95/60/58/1071956058.db2.gz COVVZFAWQUIGQZ-FQEVSTJZSA-N 0 0 484.601 1.847 20 0 JDADRN 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CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 ZINC001470361587 1068753088 /nfs/dbraw/zinc/75/30/88/1068753088.db2.gz RGAXRFVQSRKCNG-SFHVURJKSA-N 0 0 456.449 1.835 20 0 JDADRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC001470363751 1068753193 /nfs/dbraw/zinc/75/31/93/1068753193.db2.gz KTFGDFHNUPFGNB-DENIHFKCSA-N 0 0 458.603 1.949 20 0 JDADRN CN(C)S(=O)(=O)CCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001470371016 1068753627 /nfs/dbraw/zinc/75/36/27/1068753627.db2.gz NTEBWBRFCQWBKO-UHFFFAOYSA-N 0 0 451.362 1.307 20 0 JDADRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 ZINC001470376818 1068753690 /nfs/dbraw/zinc/75/36/90/1068753690.db2.gz WHWSQENLDLYYTJ-AYOQOUSVSA-N 0 0 453.973 1.770 20 0 JDADRN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)C1=O ZINC001470376858 1068753731 /nfs/dbraw/zinc/75/37/31/1068753731.db2.gz YVOJMESHMMKBGN-MSOLQXFVSA-N 0 0 450.580 1.800 20 0 JDADRN O=C(NCc1ccc(Cn2cncn2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001470364187 1068753843 /nfs/dbraw/zinc/75/38/43/1068753843.db2.gz QYOSFHJMLFAKGR-UHFFFAOYSA-N 0 0 454.556 1.684 20 0 JDADRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)s1 ZINC001470376819 1068753862 /nfs/dbraw/zinc/75/38/62/1068753862.db2.gz WHWSQENLDLYYTJ-KFKAGJAMSA-N 0 0 453.973 1.770 20 0 JDADRN COC[C@]1(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)OCCc2ccccc21 ZINC001470377926 1068754518 /nfs/dbraw/zinc/75/45/18/1068754518.db2.gz MOKRLQOZXVDOGV-VWLOTQADSA-N 0 0 458.603 1.687 20 0 JDADRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC001470386262 1068755028 /nfs/dbraw/zinc/75/50/28/1068755028.db2.gz AZDIBCYCSKVJHJ-OSRDXIQISA-N 0 0 453.465 1.903 20 0 JDADRN O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001470382927 1068755128 /nfs/dbraw/zinc/75/51/28/1068755128.db2.gz VTDBMXDZGXRTQK-AWEZNQCLSA-N 0 0 458.378 1.741 20 0 JDADRN O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@@H](CO)c1ccc(F)cc1F ZINC001470395945 1068756232 /nfs/dbraw/zinc/75/62/32/1068756232.db2.gz BXBVAKVSSCTKDK-NSHDSACASA-N 0 0 455.302 1.917 20 0 JDADRN CC[C@H](CNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001470403412 1068756814 /nfs/dbraw/zinc/75/68/14/1068756814.db2.gz MPNUWYXWUJZZQZ-KZNAEPCWSA-N 0 0 453.584 1.989 20 0 JDADRN CC[C@H](CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001470403411 1068756929 /nfs/dbraw/zinc/75/69/29/1068756929.db2.gz MPNUWYXWUJZZQZ-KURKYZTESA-N 0 0 453.584 1.989 20 0 JDADRN CCn1nncc1CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O ZINC001470404691 1068756943 /nfs/dbraw/zinc/75/69/43/1068756943.db2.gz PNFJBEBRGYCATD-UHFFFAOYSA-N 0 0 457.966 1.968 20 0 JDADRN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]2COc3cccc(C)c3C2)cc1C ZINC001470405088 1068757358 /nfs/dbraw/zinc/75/73/58/1068757358.db2.gz SZBCMNSGLQMIDF-YLJYHZDGSA-N 0 0 459.568 1.644 20 0 JDADRN Cn1cccc1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001470405173 1068757563 /nfs/dbraw/zinc/75/75/63/1068757563.db2.gz BESRYKITVZETKR-UHFFFAOYSA-N 0 0 458.462 1.307 20 0 JDADRN Cn1cccc1C(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC001470406472 1068758181 /nfs/dbraw/zinc/75/81/81/1068758181.db2.gz MEKJSWKMULVAIJ-UHFFFAOYSA-N 0 0 453.524 1.967 20 0 JDADRN O=C(NCCNC(=O)c1ccc(Br)cn1)NC1CCN(CC(F)(F)F)CC1 ZINC001470408947 1068758315 /nfs/dbraw/zinc/75/83/15/1068758315.db2.gz KFKXEHKAHCKALX-UHFFFAOYSA-N 0 0 452.275 1.900 20 0 JDADRN CC[C@]1(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)OCCc2ccccc21 ZINC001470413900 1068758877 /nfs/dbraw/zinc/75/88/77/1068758877.db2.gz FXPRVWSEOSKGOW-SIKLNZKXSA-N 0 0 451.589 1.701 20 0 JDADRN CNC(=O)CC1(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1 ZINC001470408997 1068759031 /nfs/dbraw/zinc/75/90/31/1068759031.db2.gz VUZRDFULZKKXQN-UHFFFAOYSA-N 0 0 455.552 1.663 20 0 JDADRN COc1cc(C(=O)NCC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)ccc1OC(F)F ZINC001470417022 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/nfs/dbraw/zinc/76/68/28/1068766828.db2.gz WKUMEYLRXNKVJE-GOSISDBHSA-N 0 0 455.602 1.838 20 0 JDADRN CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001470466234 1068767508 /nfs/dbraw/zinc/76/75/08/1068767508.db2.gz KXNGDDVNGZMMGT-GBESFXJTSA-N 0 0 451.612 1.874 20 0 JDADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC001470467315 1068768005 /nfs/dbraw/zinc/76/80/05/1068768005.db2.gz DPGVXYJCDRTZFU-LBPRGKRZSA-N 0 0 451.467 1.982 20 0 JDADRN NS(=O)(=O)c1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccc1F ZINC001470467548 1068768028 /nfs/dbraw/zinc/76/80/28/1068768028.db2.gz HLMSANSOVOCGGT-HNNXBMFYSA-N 0 0 455.533 1.190 20 0 JDADRN NS(=O)(=O)c1cc(CNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)ccc1F ZINC001470467794 1068768045 /nfs/dbraw/zinc/76/80/45/1068768045.db2.gz JDRQZDBCVYHRPF-CVEARBPZSA-N 0 0 455.508 1.071 20 0 JDADRN CC(C)(C)OC(=O)C1(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCOCC1 ZINC001470468272 1068768249 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BXJJIYCQWMFWAL-CYBMUJFWSA-N 0 0 453.236 1.977 20 0 JDADRN O=C(N[C@@H](c1ccncc1)C1(CO)CCC1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001470486809 1068770241 /nfs/dbraw/zinc/77/02/41/1068770241.db2.gz VMMFYGGQAJLLFB-NRFANRHFSA-N 0 0 459.568 1.861 20 0 JDADRN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001470482542 1068770421 /nfs/dbraw/zinc/77/04/21/1068770421.db2.gz MQPRNNMIJPFXDR-IBGZPJMESA-N 0 0 457.575 1.736 20 0 JDADRN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001470487698 1068771030 /nfs/dbraw/zinc/77/10/30/1068771030.db2.gz WLISDHFRJGYYIS-IALDWUNLSA-N 0 0 458.577 1.506 20 0 JDADRN C[C@@H]1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)C[C@@H]1NC(=O)C(F)(F)F ZINC001470497717 1068772438 /nfs/dbraw/zinc/77/24/38/1068772438.db2.gz JMIGNIVGMFJDQA-MEYUZBJRSA-N 0 0 461.481 1.884 20 0 JDADRN CCOC(=O)CC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CCOCC1 ZINC001470493742 1068772514 /nfs/dbraw/zinc/77/25/14/1068772514.db2.gz QQLVOURXHFDJHL-MRXNPFEDSA-N 0 0 456.565 1.046 20 0 JDADRN O=C(NCCCn1cc(CO)nn1)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001470498476 1068772536 /nfs/dbraw/zinc/77/25/36/1068772536.db2.gz UIWQAXMIPKHOJJ-UHFFFAOYSA-N 0 0 451.369 1.887 20 0 JDADRN C[C@@H]1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)C[C@@H]1NC(=O)C(F)(F)F ZINC001470497715 1068772687 /nfs/dbraw/zinc/77/26/87/1068772687.db2.gz JMIGNIVGMFJDQA-CAPXZKIUSA-N 0 0 461.481 1.884 20 0 JDADRN Cn1ncc(C(F)(F)F)c1CNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC001470497814 1068772782 /nfs/dbraw/zinc/77/27/82/1068772782.db2.gz IOXKTIBYJSESGQ-UHFFFAOYSA-N 0 0 455.256 1.796 20 0 JDADRN C[C@@H]1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)C[C@@H]1NC(=O)C(F)(F)F ZINC001470497716 1068772947 /nfs/dbraw/zinc/77/29/47/1068772947.db2.gz JMIGNIVGMFJDQA-IPOQPSJVSA-N 0 0 461.481 1.884 20 0 JDADRN COc1cc(CCCNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc(OC)c1O ZINC001470514288 1068774315 /nfs/dbraw/zinc/77/43/15/1068774315.db2.gz ROLZURRNPDVXEE-OAHLLOKOSA-N 0 0 451.520 1.536 20 0 JDADRN COc1cc(CCCNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc(OC)c1O ZINC001470514287 1068774338 /nfs/dbraw/zinc/77/43/38/1068774338.db2.gz ROLZURRNPDVXEE-HNNXBMFYSA-N 0 0 451.520 1.536 20 0 JDADRN COc1cc(CCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc(OC)c1O ZINC001470512630 1068774385 /nfs/dbraw/zinc/77/43/85/1068774385.db2.gz UPJQZHPDUNXEFP-UHFFFAOYSA-N 0 0 453.495 1.530 20 0 JDADRN CN=[S@@](C)(=O)CCNC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001470520528 1068775031 /nfs/dbraw/zinc/77/50/31/1068775031.db2.gz PTIHAZXITZYDBY-DEOSSOPVSA-N 0 0 454.412 1.983 20 0 JDADRN CS(=O)(=O)c1ccccc1CNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001470529497 1068776831 /nfs/dbraw/zinc/77/68/31/1068776831.db2.gz ZCAIWEBFMBMLHM-UHFFFAOYSA-N 0 0 451.570 1.447 20 0 JDADRN C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CN(C)CCN3Cc3ccccc3)ccc2N1S(C)(=O)=O ZINC001470531962 1068777794 /nfs/dbraw/zinc/77/77/94/1068777794.db2.gz QEXLQWMJZOYPRE-XMSQKQJNSA-N 0 0 456.612 1.943 20 0 JDADRN CN(CCCC(=O)N1CCC(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CC1)C(=O)OC(C)(C)C ZINC001470535318 1068778072 /nfs/dbraw/zinc/77/80/72/1068778072.db2.gz MZVHKIHYPRMTEM-SYSFZUQMSA-N 0 0 479.574 1.461 20 0 JDADRN CS(=O)(=O)CC1(CNC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)CCC1 ZINC001470532781 1068778253 /nfs/dbraw/zinc/77/82/53/1068778253.db2.gz ODHQKQJNHIVUOM-UHFFFAOYSA-N 0 0 459.515 1.970 20 0 JDADRN O=C(Nc1cc(-c2cccnc2)nn1CCO)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001470536522 1068779124 /nfs/dbraw/zinc/77/91/24/1068779124.db2.gz ZTUBPCUAWBYXSE-UHFFFAOYSA-N 0 0 457.512 1.211 20 0 JDADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1nccc(C(F)(F)F)n1)CCS2(=O)=O ZINC001470537018 1068779226 /nfs/dbraw/zinc/77/92/26/1068779226.db2.gz RPONAAMIXDOLJU-NOEPWBJOSA-N 0 0 450.439 1.194 20 0 JDADRN COC(=O)[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C[C@@H]1C ZINC001470538197 1068779351 /nfs/dbraw/zinc/77/93/51/1068779351.db2.gz PPXVSZBATQDXKO-VHPWJVAPSA-N 0 0 466.332 1.874 20 0 JDADRN COCc1noc(CN2CCN(C(=O)N[C@@H]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)n1 ZINC001470545879 1068779662 /nfs/dbraw/zinc/77/96/62/1068779662.db2.gz WGRPKAHXNUDFHD-HZPDHXFCSA-N 0 0 452.556 1.737 20 0 JDADRN COCc1noc(CN2CCN(C(=O)N[C@@H]3CC[C@H](CNC(=O)OC(C)(C)C)C3)CC2)n1 ZINC001470545880 1068779709 /nfs/dbraw/zinc/77/97/09/1068779709.db2.gz WGRPKAHXNUDFHD-JKSUJKDBSA-N 0 0 452.556 1.737 20 0 JDADRN COCc1noc(CN2CCN(C(=O)N[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)C3)CC2)n1 ZINC001470545878 1068779997 /nfs/dbraw/zinc/77/99/97/1068779997.db2.gz WGRPKAHXNUDFHD-HOTGVXAUSA-N 0 0 452.556 1.737 20 0 JDADRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC001470552020 1068780546 /nfs/dbraw/zinc/78/05/46/1068780546.db2.gz GIGZQCRWCMFXPL-IOASZLSFSA-N 0 0 457.549 1.512 20 0 JDADRN CCc1ccc(-c2nnc(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001546181208 1068782710 /nfs/dbraw/zinc/78/27/10/1068782710.db2.gz LKOXFRPHWSEZIQ-UHFFFAOYSA-N 0 0 495.628 1.536 20 0 JDADRN CS(=O)(=O)N1CCC(CC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 ZINC001470575244 1068784508 /nfs/dbraw/zinc/78/45/08/1068784508.db2.gz BOKIOQBUNXLJRR-UHFFFAOYSA-N 0 0 451.593 1.081 20 0 JDADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)c(OC)c1 ZINC001470574617 1068784588 /nfs/dbraw/zinc/78/45/88/1068784588.db2.gz XJKZVWXZGRSWAS-PKOBYXMFSA-N 0 0 452.467 1.828 20 0 JDADRN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 ZINC001470575438 1068784650 /nfs/dbraw/zinc/78/46/50/1068784650.db2.gz GTDCZUDRYSWLDQ-UHFFFAOYSA-N 0 0 459.572 1.583 20 0 JDADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)c(OC)c1 ZINC001470574616 1068784819 /nfs/dbraw/zinc/78/48/19/1068784819.db2.gz XJKZVWXZGRSWAS-MJGOQNOKSA-N 0 0 452.467 1.828 20 0 JDADRN Cc1ccc(CNC(=O)NCC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 ZINC001470575516 1068784936 /nfs/dbraw/zinc/78/49/36/1068784936.db2.gz JLNCJXARTJBBLF-UHFFFAOYSA-N 0 0 452.559 1.827 20 0 JDADRN O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCCCc1c[nH][nH]c1=O ZINC001470577624 1068785617 /nfs/dbraw/zinc/78/56/17/1068785617.db2.gz IDOANKZVKSRSPL-JTQLQIEISA-N 0 0 454.858 1.655 20 0 JDADRN O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCCCc1c[nH][nH]c1=O ZINC001470577697 1068786182 /nfs/dbraw/zinc/78/61/82/1068786182.db2.gz IDOANKZVKSRSPL-SNVBAGLBSA-N 0 0 454.858 1.655 20 0 JDADRN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001470579478 1068786240 /nfs/dbraw/zinc/78/62/40/1068786240.db2.gz UTNHYMMVIBNQFU-DOMZBBRYSA-N 0 0 459.366 1.380 20 0 JDADRN CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCN(CC(F)(F)F)C1 ZINC001470589823 1068787191 /nfs/dbraw/zinc/78/71/91/1068787191.db2.gz UJDMRCDEKPQKIP-AWEZNQCLSA-N 0 0 452.499 1.145 20 0 JDADRN CN1C(=O)CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC001470591033 1068788419 /nfs/dbraw/zinc/78/84/19/1068788419.db2.gz BQKDXFZUFXFTHY-AVGNSLFASA-N 0 0 450.458 1.869 20 0 JDADRN NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cnn(CCO)c2-c2ccccc2)CC1 ZINC001470592970 1068788816 /nfs/dbraw/zinc/78/88/16/1068788816.db2.gz HABKHMAXBNDSSJ-UHFFFAOYSA-N 0 0 455.540 1.152 20 0 JDADRN COc1ccc(OC)c(CN(CCO)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC001470597196 1068789731 /nfs/dbraw/zinc/78/97/31/1068789731.db2.gz KVPKEHPAZCYMFP-QGZVFWFLSA-N 0 0 450.513 1.443 20 0 JDADRN NS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC001470594237 1068789938 /nfs/dbraw/zinc/78/99/38/1068789938.db2.gz SJKWLRGIFTXGAB-UHFFFAOYSA-N 0 0 454.346 1.693 20 0 JDADRN O=C(NCc1nnc2c(=O)[nH]ccn12)NCc1cc(Cl)cc(I)c1 ZINC001470597246 1068790688 /nfs/dbraw/zinc/79/06/88/1068790688.db2.gz BONGFYLTWDWIIE-UHFFFAOYSA-N 0 0 458.647 1.675 20 0 JDADRN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001470597779 1068790943 /nfs/dbraw/zinc/79/09/43/1068790943.db2.gz SGULLWSOWREJFA-BFYDXBDKSA-N 0 0 450.538 1.525 20 0 JDADRN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCc3n[nH]cc3C2)c1 ZINC001470598832 1068790963 /nfs/dbraw/zinc/79/09/63/1068790963.db2.gz JZPWKODVXNFWHW-UHFFFAOYSA-N 0 0 457.350 1.686 20 0 JDADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@@H](O)C1 ZINC001470603777 1068791472 /nfs/dbraw/zinc/79/14/72/1068791472.db2.gz HZKWXVJUVSVQAY-OCCSQVGLSA-N 0 0 468.557 1.008 20 0 JDADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC001470601748 1068791508 /nfs/dbraw/zinc/79/15/08/1068791508.db2.gz WRILNAKFZSBVAL-OAQYLSRUSA-N 0 0 453.561 1.810 20 0 JDADRN COc1ccc(C(=O)N2CCN(C)C[C@@H]2CO)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001470602507 1068791660 /nfs/dbraw/zinc/79/16/60/1068791660.db2.gz USSWVUABGCOYBS-LJQANCHMSA-N 0 0 459.568 1.585 20 0 JDADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N(CCO)CCOCCO)C1 ZINC001470600148 1068791850 /nfs/dbraw/zinc/79/18/50/1068791850.db2.gz HRIARABHIAXSAC-MRXNPFEDSA-N 0 0 457.365 1.440 20 0 JDADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC001470601747 1068791876 /nfs/dbraw/zinc/79/18/76/1068791876.db2.gz 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HAIQMDHVLQSTKH-UHFFFAOYSA-N 0 0 455.510 1.040 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CC1=O ZINC001501009905 1069354431 /nfs/dbraw/zinc/35/44/31/1069354431.db2.gz SAPJPSMORCLDHE-GAJHUEQPSA-N 0 0 490.630 1.171 20 0 JDADRN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001475087659 1069354617 /nfs/dbraw/zinc/35/46/17/1069354617.db2.gz VZOOGKKNGZLXGQ-GFCCVEGCSA-N 0 0 451.423 1.615 20 0 JDADRN CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1=O ZINC001501009890 1069354716 /nfs/dbraw/zinc/35/47/16/1069354716.db2.gz RUJQGFJWKSJAEE-KSFYIVLOSA-N 0 0 496.609 1.384 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)CC1=O ZINC001501012356 1069356094 /nfs/dbraw/zinc/35/60/94/1069356094.db2.gz MGDJNBANHQUTJK-UHFFFAOYSA-N 0 0 469.384 1.883 20 0 JDADRN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1C(=O)N(C)C ZINC001475091754 1069355136 /nfs/dbraw/zinc/35/51/36/1069355136.db2.gz HCCSVSWZVMYDFF-WMLDXEAASA-N 0 0 454.570 1.972 20 0 JDADRN COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)ncn3C)cc1 ZINC001475090842 1069355155 /nfs/dbraw/zinc/35/51/55/1069355155.db2.gz UHJVRAICBPWGPC-UHFFFAOYSA-N 0 0 451.526 1.140 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC23CCC(CC2)C3)CC1=O ZINC001501009990 1069355191 /nfs/dbraw/zinc/35/51/91/1069355191.db2.gz UNLOFBXMSPQLAA-ZGGTZUKQSA-N 0 0 452.625 1.917 20 0 JDADRN CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1=O ZINC001501012367 1069356216 /nfs/dbraw/zinc/35/62/16/1069356216.db2.gz NDBXRNDWWUBTCJ-AVRDEDQJSA-N 0 0 483.635 1.346 20 0 JDADRN Cn1cc(S(=O)(=O)N2CCC(N3CCCCC3=O)CC2)cc1C(=O)NCC(F)(F)F ZINC001475074999 1069351464 /nfs/dbraw/zinc/35/14/64/1069351464.db2.gz YUUZFHKBAWMPPJ-UHFFFAOYSA-N 0 0 450.483 1.483 20 0 JDADRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2c2ccccc2Br)CC1 ZINC001475076330 1069351921 /nfs/dbraw/zinc/35/19/21/1069351921.db2.gz SCAHJBJDSWJTLK-HNNXBMFYSA-N 0 0 452.396 1.408 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)NCC)cc2)CC1=O ZINC001501005000 1069352062 /nfs/dbraw/zinc/35/20/62/1069352062.db2.gz NGCMZYQQRSYIJI-UHFFFAOYSA-N 0 0 481.601 1.761 20 0 JDADRN CCCN1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(C)=O)c2)CC1=O ZINC001501005208 1069352257 /nfs/dbraw/zinc/35/22/57/1069352257.db2.gz RTGPISWXSUFQHP-UHFFFAOYSA-N 0 0 467.574 1.970 20 0 JDADRN CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)CC1=O ZINC001501012254 1069356387 /nfs/dbraw/zinc/35/63/87/1069356387.db2.gz JQOOXQDHKIGQRR-GOTSBHOMSA-N 0 0 465.595 1.573 20 0 JDADRN CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC001475095495 1069356331 /nfs/dbraw/zinc/35/63/31/1069356331.db2.gz KQAANORMFCGTTO-KGLIPLIRSA-N 0 0 454.364 1.421 20 0 JDADRN COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC001475095335 1069356356 /nfs/dbraw/zinc/35/63/56/1069356356.db2.gz FHAGYACEBNQDRG-LBPRGKRZSA-N 0 0 452.323 1.807 20 0 JDADRN COc1cc2[nH]c(CCCNS(=O)(=O)C[C@@H]3CCN(S(C)(=O)=O)C3)cc2c(OC)c1 ZINC001475093723 1069356402 /nfs/dbraw/zinc/35/64/02/1069356402.db2.gz ZNOUORVQMWGKPS-CQSZACIVSA-N 0 0 459.590 1.319 20 0 JDADRN COc1ccccc1N1CC[C@@H](NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)C1=O ZINC001475095915 1069356642 /nfs/dbraw/zinc/35/66/42/1069356642.db2.gz PMJCWWIUTZWDSU-GOSISDBHSA-N 0 0 459.524 1.436 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O ZINC001501012514 1069356738 /nfs/dbraw/zinc/35/67/38/1069356738.db2.gz RNLJTXINNQQJBE-CQSZACIVSA-N 0 0 499.435 1.919 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NC)c2)CC1=O ZINC001501024315 1069360494 /nfs/dbraw/zinc/36/04/94/1069360494.db2.gz FBPPHVXEABJTBV-LJQANCHMSA-N 0 0 488.614 1.037 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)CC1=O ZINC001501024448 1069360533 /nfs/dbraw/zinc/36/05/33/1069360533.db2.gz GHGKVGXOELEHFN-MRXNPFEDSA-N 0 0 466.633 1.751 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1=O ZINC001501024275 1069360584 /nfs/dbraw/zinc/36/05/84/1069360584.db2.gz DELLXABJXWXEGQ-HXUWFJFHSA-N 0 0 497.662 1.462 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC001501012513 1069356752 /nfs/dbraw/zinc/35/67/52/1069356752.db2.gz RNLJTXINNQQJBE-AWEZNQCLSA-N 0 0 499.435 1.919 20 0 JDADRN COc1ccccc1N1CC[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)C1=O ZINC001475096438 1069356756 /nfs/dbraw/zinc/35/67/56/1069356756.db2.gz XGGCAAVIXAFDII-CQSZACIVSA-N 0 0 454.526 1.191 20 0 JDADRN COC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)OC)c1 ZINC001475096887 1069356862 /nfs/dbraw/zinc/35/68/62/1069356862.db2.gz SJMATVWAZGMWHF-AWEZNQCLSA-N 0 0 452.323 1.823 20 0 JDADRN COC(=O)c1csc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 ZINC001475105840 1069360576 /nfs/dbraw/zinc/36/05/76/1069360576.db2.gz ZEGWICOESCXEKD-UHFFFAOYSA-N 0 0 458.583 1.939 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2ccnn2)CC1=O ZINC001501014116 1069357273 /nfs/dbraw/zinc/35/72/73/1069357273.db2.gz IOUREGYOEIOBLF-UHFFFAOYSA-N 0 0 486.602 1.479 20 0 JDADRN COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)c1 ZINC001475097050 1069357445 /nfs/dbraw/zinc/35/74/45/1069357445.db2.gz XIRYGDPSJFJLHQ-AWEZNQCLSA-N 0 0 455.558 1.307 20 0 JDADRN CC1(C2CCN(S(=O)(=O)c3cc(C(N)=O)c(Br)cc3F)CC2)OCCO1 ZINC001475097171 1069357463 /nfs/dbraw/zinc/35/74/63/1069357463.db2.gz AMIDYOLUCLJTQL-UHFFFAOYSA-N 0 0 451.314 1.851 20 0 JDADRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001546204432 1069357778 /nfs/dbraw/zinc/35/77/78/1069357778.db2.gz LAAFFSDWYWBGTO-UHFFFAOYSA-N 0 0 457.886 1.881 20 0 JDADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001475100101 1069357881 /nfs/dbraw/zinc/35/78/81/1069357881.db2.gz PYOITKSLMCENDZ-AAEUAGOBSA-N 0 0 453.970 1.303 20 0 JDADRN CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001501016689 1069357984 /nfs/dbraw/zinc/35/79/84/1069357984.db2.gz FWSFVKWNZAQYLF-UHFFFAOYSA-N 0 0 497.021 1.382 20 0 JDADRN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](CO)Cc3ccccc3C(F)(F)F)cc2[nH]c1=O ZINC001475105901 1069360677 /nfs/dbraw/zinc/36/06/77/1069360677.db2.gz PFIZFECOTZOXOU-NSHDSACASA-N 0 0 457.430 1.365 20 0 JDADRN CCc1ccccc1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C ZINC001546275038 1069358425 /nfs/dbraw/zinc/35/84/25/1069358425.db2.gz CFSZXLMHYFIBBP-IBGZPJMESA-N 0 0 481.601 1.953 20 0 JDADRN CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(F)cc1Cl ZINC001475100261 1069358454 /nfs/dbraw/zinc/35/84/54/1069358454.db2.gz VBZYYQKYPSSFSJ-HZMBPMFUSA-N 0 0 456.945 1.652 20 0 JDADRN Cn1ncnc1COc1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC001475105424 1069360809 /nfs/dbraw/zinc/36/08/09/1069360809.db2.gz SYGSNQNLTMRJTO-FQEVSTJZSA-N 0 0 455.540 1.864 20 0 JDADRN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H](CO)Cc3ccccc3C(F)(F)F)cc2[nH]c1=O ZINC001475105899 1069360831 /nfs/dbraw/zinc/36/08/31/1069360831.db2.gz PFIZFECOTZOXOU-LLVKDONJSA-N 0 0 457.430 1.365 20 0 JDADRN CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1=O ZINC001501020929 1069359038 /nfs/dbraw/zinc/35/90/38/1069359038.db2.gz CSBSQOZLTRNTAK-LJQANCHMSA-N 0 0 488.614 1.271 20 0 JDADRN CCCN1CCCN(c2nnc(-c3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1=O ZINC001501019954 1069359046 /nfs/dbraw/zinc/35/90/46/1069359046.db2.gz XDULSQRXLXCXTJ-UHFFFAOYSA-N 0 0 463.608 1.460 20 0 JDADRN CCCN1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)CC1=O ZINC001501020896 1069359061 /nfs/dbraw/zinc/35/90/61/1069359061.db2.gz BCMGREJXTZMVEM-UHFFFAOYSA-N 0 0 473.603 1.814 20 0 JDADRN CCCN1CCCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001501019972 1069359107 /nfs/dbraw/zinc/35/91/07/1069359107.db2.gz XKEJDSXNHVARNQ-UHFFFAOYSA-N 0 0 491.614 1.342 20 0 JDADRN CCCN1CCCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)S(=O)(=O)CC)CC1=O ZINC001501019075 1069359201 /nfs/dbraw/zinc/35/92/01/1069359201.db2.gz KUOZABBSBSPTSZ-UHFFFAOYSA-N 0 0 451.597 1.394 20 0 JDADRN O=C1OCC[C@H]1N1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC001475103229 1069359193 /nfs/dbraw/zinc/35/91/93/1069359193.db2.gz QWAOXUCOVUFZTN-WMLDXEAASA-N 0 0 458.964 1.814 20 0 JDADRN COC(=O)c1ccc(CNS(=O)(=O)c2cnn3cc(Br)cnc23)cc1OC ZINC001475103932 1069359465 /nfs/dbraw/zinc/35/94/65/1069359465.db2.gz YAZSXKNCYLRXQJ-UHFFFAOYSA-N 0 0 455.290 1.766 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC001501021055 1069359540 /nfs/dbraw/zinc/35/95/40/1069359540.db2.gz DWHHMAZCAQXIKK-GOSISDBHSA-N 0 0 460.604 1.922 20 0 JDADRN CCCN1CCCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@H](C)CC)CC1=O ZINC001501020994 1069359587 /nfs/dbraw/zinc/35/95/87/1069359587.db2.gz DMEMBPOIUXHGMO-MRXNPFEDSA-N 0 0 473.578 1.759 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)CC1=O ZINC001501021130 1069359671 /nfs/dbraw/zinc/35/96/71/1069359671.db2.gz GCTKNHUOZNFEBD-SFHVURJKSA-N 0 0 453.547 1.020 20 0 JDADRN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC001475104856 1069359712 /nfs/dbraw/zinc/35/97/12/1069359712.db2.gz JTRCPWOOEFHBEO-MOPGFXCFSA-N 0 0 458.602 1.763 20 0 JDADRN 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CCO[C@]1(c2nnc(N3CCN(C(C)=O)CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCOC1 ZINC001502714784 1070823116 /nfs/dbraw/zinc/82/31/16/1070823116.db2.gz QSTODDIWZWVKAX-NTKDMRAZSA-N 0 0 488.564 1.082 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(CCOC)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001495846791 1070823087 /nfs/dbraw/zinc/82/30/87/1070823087.db2.gz QWROLZGZJVVPJW-QGZVFWFLSA-N 0 0 450.609 1.516 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccccc1N1CCOCC1 ZINC001495845046 1070823123 /nfs/dbraw/zinc/82/31/23/1070823123.db2.gz LVJBPUQEJXKNJI-IBGZPJMESA-N 0 0 456.591 1.972 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)ccc1Cl ZINC001504080254 1070823211 /nfs/dbraw/zinc/82/32/11/1070823211.db2.gz CIGOJNUJUNGPSN-KBPBESRZSA-N 0 0 485.010 1.460 20 0 JDADRN COc1cc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC(F)F)cc(OC)c1OC ZINC001504080491 1070823350 /nfs/dbraw/zinc/82/33/50/1070823350.db2.gz QJVCRUKFXKPBDN-UHFFFAOYSA-N 0 0 455.462 1.927 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1CCCN(C)S(=O)(=O)CC ZINC001495920841 1070827991 /nfs/dbraw/zinc/82/79/91/1070827991.db2.gz VBLSMEYXZQDNIF-ZBFHGGJFSA-N 0 0 455.585 1.733 20 0 JDADRN COc1cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CCC(=O)N(C)C)cc(OC)c1OC ZINC001504080966 1070823608 /nfs/dbraw/zinc/82/36/08/1070823608.db2.gz ZPSYGEYXMUQPEW-UHFFFAOYSA-N 0 0 488.589 1.802 20 0 JDADRN COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)ccc1C ZINC001504080986 1070823658 /nfs/dbraw/zinc/82/36/58/1070823658.db2.gz HLVQMJABVRGYJK-UHFFFAOYSA-N 0 0 483.573 1.497 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 ZINC001502715472 1070823673 /nfs/dbraw/zinc/82/36/73/1070823673.db2.gz WELKBXNWRQTOCS-WCJKSRRJSA-N 0 0 464.567 1.122 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1C[C@H]1COCCO1 ZINC001495848937 1070823790 /nfs/dbraw/zinc/82/37/90/1070823790.db2.gz CXFZLVGSWBDAHM-ROUUACIJSA-N 0 0 459.613 1.084 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H](C)OC)cc(OC)c1OC ZINC001504081524 1070823784 /nfs/dbraw/zinc/82/37/84/1070823784.db2.gz NNWDKODOJNONNX-RHSMWYFYSA-N 0 0 463.535 1.347 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H](C)OC)cc(OC)c1OC ZINC001504081519 1070823930 /nfs/dbraw/zinc/82/39/30/1070823930.db2.gz NNWDKODOJNONNX-PBHICJAKSA-N 0 0 463.535 1.347 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2C[C@@H](COC)OC)CCOC1 ZINC001502715806 1070824009 /nfs/dbraw/zinc/82/40/09/1070824009.db2.gz YPESGADQCMZKPV-GBXCKJPGSA-N 0 0 479.622 1.963 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)CC3)n2Cc2c(CC)nn(C)c2CC)CCOC1 ZINC001502715610 1070824025 /nfs/dbraw/zinc/82/40/25/1070824025.db2.gz WSDDTAUJKKLGKC-HSZRJFAPSA-N 0 0 459.595 1.505 20 0 JDADRN COc1cc(-c2nnc(N3CCNC(=O)C3)n2CC2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC001504081684 1070824193 /nfs/dbraw/zinc/82/41/93/1070824193.db2.gz VZYXNQZLJJWRNZ-UHFFFAOYSA-N 0 0 472.546 1.166 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001495849437 1070824129 /nfs/dbraw/zinc/82/41/29/1070824129.db2.gz GXCJAKFQKPQEBT-AWEZNQCLSA-N 0 0 490.677 1.222 20 0 JDADRN CC[C@H](C)c1nnc(N2CCO[C@H](COC)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001495922882 1070828086 /nfs/dbraw/zinc/82/80/86/1070828086.db2.gz UVQVLLPGUYGSNX-FPOVZHCZSA-N 0 0 456.591 1.992 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001495849628 1070824369 /nfs/dbraw/zinc/82/43/69/1070824369.db2.gz IXEIZKTWEZSEIA-WMZOPIPTSA-N 0 0 484.601 1.934 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCC1(OC)CCC1 ZINC001495849844 1070824388 /nfs/dbraw/zinc/82/43/88/1070824388.db2.gz KLAAEJRVICVUTR-INIZCTEOSA-N 0 0 460.583 1.217 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(OCCO)c(OC)c1 ZINC001495849662 1070824420 /nfs/dbraw/zinc/82/44/20/1070824420.db2.gz JPOBZHGIJYJIQS-SJORKVTESA-N 0 0 481.619 1.690 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2Cc2nc(C)c(C)s2)CCOC1 ZINC001502715857 1070824359 /nfs/dbraw/zinc/82/43/59/1070824359.db2.gz ZGUJRMWIICSMIG-HXUWFJFHSA-N 0 0 450.565 1.940 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ncccc4F)CC3)n2CC(=O)NC(C)C)CCOC1 ZINC001502717059 1070824389 /nfs/dbraw/zinc/82/43/89/1070824389.db2.gz ANZIKQNMICOBCS-JOCHJYFZSA-N 0 0 461.542 1.316 20 0 JDADRN COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)ccc1C ZINC001504082268 1070824418 /nfs/dbraw/zinc/82/44/18/1070824418.db2.gz RRNSXBXOFVDHLS-LJQANCHMSA-N 0 0 492.646 1.742 20 0 JDADRN COc1cc(-c2nnc(N3CCOC[C@H]3C)n2CC2(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC001504082196 1070824425 /nfs/dbraw/zinc/82/44/25/1070824425.db2.gz ROLYURLFEQNVQY-CQSZACIVSA-N 0 0 466.560 1.773 20 0 JDADRN COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)ccc1C ZINC001504082261 1070824454 /nfs/dbraw/zinc/82/44/54/1070824454.db2.gz RRNSXBXOFVDHLS-IBGZPJMESA-N 0 0 492.646 1.742 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H]2OCC[C@H]2C)cc(OC)c1OC ZINC001504082122 1070824547 /nfs/dbraw/zinc/82/45/47/1070824547.db2.gz PPMHLGAQUYITSL-FYINFDKHSA-N 0 0 489.573 1.737 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001495849611 1070824528 /nfs/dbraw/zinc/82/45/28/1070824528.db2.gz ISAKBXFEWKJDEO-IRXDYDNUSA-N 0 0 478.619 1.700 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2Cc2c(C)noc2C)CCOC1 ZINC001502720751 1070828111 /nfs/dbraw/zinc/82/81/11/1070828111.db2.gz AKGANZWIBOOILP-XDHUDOTRSA-N 0 0 489.621 1.620 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CC(=O)NC(C)C)CCOC1 ZINC001502720745 1070828139 /nfs/dbraw/zinc/82/81/39/1070828139.db2.gz AIDYYLHUDAYQAO-QHCPKHFHSA-N 0 0 462.595 1.436 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC1([S@](C)=O)CC1 ZINC001495850005 1070824674 /nfs/dbraw/zinc/82/46/74/1070824674.db2.gz LQXIBPXUPZTUKT-QLCIJSRNSA-N 0 0 483.664 1.256 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CCOC1 ZINC001502717100 1070824688 /nfs/dbraw/zinc/82/46/88/1070824688.db2.gz BKYLUXAVLRNXJF-YGKZAACZSA-N 0 0 480.610 1.758 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[C@H]1COCCO1 ZINC001495849903 1070824695 /nfs/dbraw/zinc/82/46/95/1070824695.db2.gz KTAHBBPHCSRTME-WBVHZDCISA-N 0 0 484.648 1.873 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001495849995 1070824767 /nfs/dbraw/zinc/82/47/67/1070824767.db2.gz LQXIBPXUPZTUKT-LHEBDHONSA-N 0 0 483.664 1.256 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1C ZINC001504082773 1070824751 /nfs/dbraw/zinc/82/47/51/1070824751.db2.gz XDNNGEXVKUTQQQ-WDSOQIARSA-N 0 0 490.630 1.695 20 0 JDADRN COc1cc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@H]2CCC(=O)N2)ccc1OC(C)C ZINC001504082898 1070824779 /nfs/dbraw/zinc/82/47/79/1070824779.db2.gz XQIPFTVCULCGFB-AHRSYUTCSA-N 0 0 459.547 1.870 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1COCCO1 ZINC001495850345 1070824803 /nfs/dbraw/zinc/82/48/03/1070824803.db2.gz NMRNQVFODSHTJU-SJLPKXTDSA-N 0 0 467.567 1.857 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@]2(O)CCOC2)ccc1OC(C)C ZINC001504082618 1070824822 /nfs/dbraw/zinc/82/48/22/1070824822.db2.gz UAQCQSKFNISXCA-YADARESESA-N 0 0 489.573 1.234 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2CC(C)(C)OC)cc(OC)c1OC ZINC001504082737 1070824857 /nfs/dbraw/zinc/82/48/57/1070824857.db2.gz VIQMPJNCMXAQNP-KRWDZBQOSA-N 0 0 477.562 1.737 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2CC(C)(C)OC)cc(OC)c1OC ZINC001504082740 1070824871 /nfs/dbraw/zinc/82/48/71/1070824871.db2.gz VIQMPJNCMXAQNP-QGZVFWFLSA-N 0 0 477.562 1.737 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCOC2CCOCC2)CCOC1 ZINC001502717310 1070824962 /nfs/dbraw/zinc/82/49/62/1070824962.db2.gz CMJZKVIESXDGMN-JTSKRJEESA-N 0 0 451.568 1.183 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(=O)N(C)C4CCCCC4)CC3)n2CCOC)CCOC1 ZINC001502720758 1070828165 /nfs/dbraw/zinc/82/81/65/1070828165.db2.gz ALQLHXYHMNMRTO-DEOSSOPVSA-N 0 0 478.638 1.490 20 0 JDADRN COc1cc(CCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)ccc1C ZINC001504083390 1070825049 /nfs/dbraw/zinc/82/50/49/1070825049.db2.gz CFIAFAKQECSCNU-HXUWFJFHSA-N 0 0 484.601 1.863 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@H]1CCSC1(C)C ZINC001495850687 1070825055 /nfs/dbraw/zinc/82/50/55/1070825055.db2.gz OKLGGQYPKHPBSO-HZPDHXFCSA-N 0 0 476.651 1.790 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4ccc(C(N)=O)cn4)CC3)n2C[C@H](CC)OC)CCOC1 ZINC001502719491 1070828211 /nfs/dbraw/zinc/82/82/11/1070828211.db2.gz YRYQZFDWZRWHTA-MBSDFSHPSA-N 0 0 473.578 1.176 20 0 JDADRN COc1cc(-c2nnc(N3CCOCC3)n2C[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC001504083307 1070825090 /nfs/dbraw/zinc/82/50/90/1070825090.db2.gz ZMTKEKKXDXXUEY-CQSZACIVSA-N 0 0 452.533 1.242 20 0 JDADRN COc1cc(CCn2c(CN3CCCC3=O)nnc2N2CCC(OCC(N)=O)CC2)ccc1Cl ZINC001504083980 1070825112 /nfs/dbraw/zinc/82/51/12/1070825112.db2.gz MMOUFOCZGKPYAM-UHFFFAOYSA-N 0 0 490.992 1.776 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2CCS(=O)(=O)NC(C)C)cc(OC)c1OC ZINC001504083308 1070825139 /nfs/dbraw/zinc/82/51/39/1070825139.db2.gz ZNZWFDCDGFXUHM-HNNXBMFYSA-N 0 0 483.591 1.524 20 0 JDADRN COc1cc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CC(=O)NC(C)C)cc(OC)c1OC ZINC001504083076 1070825148 /nfs/dbraw/zinc/82/51/48/1070825148.db2.gz WFMPSBWWRSYDBN-UHFFFAOYSA-N 0 0 489.573 1.881 20 0 JDADRN COc1cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC001504084120 1070825195 /nfs/dbraw/zinc/82/51/95/1070825195.db2.gz LIRGLKMXWVHRDZ-UEXGIBASSA-N 0 0 493.630 1.784 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)C(=O)C2)ccc1Cl ZINC001504091039 1070828652 /nfs/dbraw/zinc/82/86/52/1070828652.db2.gz SHYGCAHXIQOPBX-HNNXBMFYSA-N 0 0 499.037 1.903 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2CCS(C)(=O)=O)CCOC1 ZINC001502717588 1070825235 /nfs/dbraw/zinc/82/52/35/1070825235.db2.gz IAYWVORJHKFEOJ-QHCPKHFHSA-N 0 0 477.631 1.918 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)C2)cc(OC)c1OC ZINC001504090879 1070828264 /nfs/dbraw/zinc/82/82/64/1070828264.db2.gz QBDSAOHVCJYLIP-OYHNWAKOSA-N 0 0 497.618 1.968 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)C2)cc(OC)c1OC ZINC001504090877 1070828287 /nfs/dbraw/zinc/82/82/87/1070828287.db2.gz QBDSAOHVCJYLIP-IVZQSRNASA-N 0 0 497.618 1.968 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 ZINC001502717487 1070825319 /nfs/dbraw/zinc/82/53/19/1070825319.db2.gz GFRUBULIHDNGGT-BXKMTCNYSA-N 0 0 485.589 1.739 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1COCCO1 ZINC001495851398 1070825357 /nfs/dbraw/zinc/82/53/57/1070825357.db2.gz RMSPNFIIBFMLQP-UYAOXDASSA-N 0 0 463.604 1.859 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4cc(F)ccc4F)CC3)n2CCC(=O)NC)CCOC1 ZINC001502717737 1070825534 /nfs/dbraw/zinc/82/55/34/1070825534.db2.gz KNPVIMMNSYLWFX-JOCHJYFZSA-N 0 0 464.517 1.671 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H]([C@H]3CCCO3)C2)cc(OC)c1OC ZINC001504086160 1070825664 /nfs/dbraw/zinc/82/56/64/1070825664.db2.gz DPUYFOKYIWLIHA-YLJYHZDGSA-N 0 0 489.573 1.875 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H]([C@@H]3CCCO3)C2)cc(OC)c1OC ZINC001504086155 1070825686 /nfs/dbraw/zinc/82/56/86/1070825686.db2.gz DPUYFOKYIWLIHA-PXNSSMCTSA-N 0 0 489.573 1.875 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)c4ccccc4C3)n2CCCS(C)(=O)=O)CCOC1 ZINC001502717713 1070825737 /nfs/dbraw/zinc/82/57/37/1070825737.db2.gz KGEQPGXSNDFTCP-JOCHJYFZSA-N 0 0 463.604 1.821 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001495851458 1070825667 /nfs/dbraw/zinc/82/56/67/1070825667.db2.gz SISUSHOMXWHZNB-MRXNPFEDSA-N 0 0 492.650 1.390 20 0 JDADRN 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GTPYLDHGQUTTIX-IERDGZPVSA-N 0 0 466.608 1.546 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCCC(=O)N(C)C)CCOC1 ZINC001502724875 1070834714 /nfs/dbraw/zinc/83/47/14/1070834714.db2.gz FXGCGKWQAVHTBA-XXBNENTESA-N 0 0 464.611 1.100 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CCOCC1 ZINC001504105417 1070834767 /nfs/dbraw/zinc/83/47/67/1070834767.db2.gz RJGCAEWXYJMLLF-WBVHZDCISA-N 0 0 484.022 1.951 20 0 JDADRN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)c1 ZINC001496205748 1070834892 /nfs/dbraw/zinc/83/48/92/1070834892.db2.gz PTIYWVQLAFJCEG-DBVUQKKJSA-N 0 0 470.574 1.657 20 0 JDADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)c1 ZINC001496206922 1070835063 /nfs/dbraw/zinc/83/50/63/1070835063.db2.gz TXAPACDXUKDDAC-LDQXTDLNSA-N 0 0 493.568 1.672 20 0 JDADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)c1 ZINC001496207255 1070835099 /nfs/dbraw/zinc/83/50/99/1070835099.db2.gz UUFYOUHHWUFWTD-UTKZUKDTSA-N 0 0 479.585 1.811 20 0 JDADRN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c1 ZINC001496206891 1070835180 /nfs/dbraw/zinc/83/51/80/1070835180.db2.gz SSNGGANHHRZNCS-IRYIGKPUSA-N 0 0 481.601 1.768 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001504106587 1070835127 /nfs/dbraw/zinc/83/51/27/1070835127.db2.gz GGWQASLHXPAXBW-ZIAGYGMSSA-N 0 0 467.979 1.709 20 0 JDADRN COc1cc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3COCCO3)CC2)ccc1F ZINC001504113566 1070838764 /nfs/dbraw/zinc/83/87/64/1070838764.db2.gz ADOLUURIPWWJNO-KRWDZBQOSA-N 0 0 462.526 1.306 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(Cc4cc(C)on4)CC3)n2C[C@](C)(O)C(C)C)CCOC1 ZINC001502725593 1070835308 /nfs/dbraw/zinc/83/53/08/1070835308.db2.gz KQDZLFXCVNDVDQ-GOTSBHOMSA-N 0 0 462.595 1.956 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(Cc4cc(C)on4)CC3)n2C[C@](C)(O)C(C)C)CCOC1 ZINC001502725595 1070835421 /nfs/dbraw/zinc/83/54/21/1070835421.db2.gz KQDZLFXCVNDVDQ-XZOQPEGZSA-N 0 0 462.595 1.956 20 0 JDADRN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)c1 ZINC001496208157 1070835451 /nfs/dbraw/zinc/83/54/51/1070835451.db2.gz YIKXMBRIBWIRFO-TXPKVOOTSA-N 0 0 467.574 1.473 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001496209850 1070835482 /nfs/dbraw/zinc/83/54/82/1070835482.db2.gz FEPYYMSUKWBTHV-KRWDZBQOSA-N 0 0 468.606 1.843 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCS(C)(=O)=O ZINC001504107718 1070835420 /nfs/dbraw/zinc/83/54/20/1070835420.db2.gz OUSWMWRPSCHGSI-ZDUSSCGKSA-N 0 0 455.968 1.709 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCOCC(C)C ZINC001504107775 1070835450 /nfs/dbraw/zinc/83/54/50/1070835450.db2.gz POHIYKZRHLTXKZ-KRWDZBQOSA-N 0 0 490.992 1.817 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC(=O)N(C)C ZINC001504107369 1070835508 /nfs/dbraw/zinc/83/55/08/1070835508.db2.gz MZVNRMDKTUIABT-UHFFFAOYSA-N 0 0 477.997 1.296 20 0 JDADRN COc1cc(Cl)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001504107816 1070835532 /nfs/dbraw/zinc/83/55/32/1070835532.db2.gz DVNFAZBKFTYDAJ-STQMWFEESA-N 0 0 470.983 1.266 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(Cc4cc(C)on4)CC3)n2C[C@@](C)(O)C(C)C)CCOC1 ZINC001502725592 1070835452 /nfs/dbraw/zinc/83/54/52/1070835452.db2.gz KQDZLFXCVNDVDQ-DHIUTWEWSA-N 0 0 462.595 1.956 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001496209394 1070835568 /nfs/dbraw/zinc/83/55/68/1070835568.db2.gz DPRZFGRHMCQKKR-IVZQSRNASA-N 0 0 454.535 1.089 20 0 JDADRN COc1cc(Cl)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001504107815 1070835599 /nfs/dbraw/zinc/83/55/99/1070835599.db2.gz DVNFAZBKFTYDAJ-QWHCGFSZSA-N 0 0 470.983 1.266 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CCOC)CC3)n2Cc2csc(CC)n2)CCOC1 ZINC001502725926 1070835574 /nfs/dbraw/zinc/83/55/74/1070835574.db2.gz NMUPXDJBLFBVAN-NRFANRHFSA-N 0 0 450.609 1.766 20 0 JDADRN CCO[C@]1(c2nnc(N3CCNC(=O)[C@H]3CC)n2Cc2nnc(C(C)(C)C)s2)CCOC1 ZINC001502728143 1070838796 /nfs/dbraw/zinc/83/87/96/1070838796.db2.gz GLPNBFFEDDENST-SPLOXXLWSA-N 0 0 463.608 1.842 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCOC1 ZINC001502725896 1070835718 /nfs/dbraw/zinc/83/57/18/1070835718.db2.gz NIXLJLAIBQLEFT-YGKZAACZSA-N 0 0 493.609 1.399 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](CC)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502725837 1070835733 /nfs/dbraw/zinc/83/57/33/1070835733.db2.gz MZIBQCRGQNVFEA-ZRCGQRJVSA-N 0 0 499.678 1.445 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(=O)N(C)C ZINC001504108267 1070835742 /nfs/dbraw/zinc/83/57/42/1070835742.db2.gz UFBZUBIPUWSPMS-UHFFFAOYSA-N 0 0 475.981 1.096 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCS(C)(=O)=O ZINC001504108210 1070835755 /nfs/dbraw/zinc/83/57/55/1070835755.db2.gz SWBRFWZBFDSUQI-KRWDZBQOSA-N 0 0 484.022 1.953 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 ZINC001496210183 1070835713 /nfs/dbraw/zinc/83/57/13/1070835713.db2.gz HHODNIIWAVKUBK-MRXNPFEDSA-N 0 0 456.595 1.817 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001496228846 1070838795 /nfs/dbraw/zinc/83/87/95/1070838795.db2.gz SVGFSSPUNYBIFW-MRXNPFEDSA-N 0 0 478.619 1.777 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001496209978 1070835778 /nfs/dbraw/zinc/83/57/78/1070835778.db2.gz GOSPHQSISWETRA-ROUUACIJSA-N 0 0 481.561 1.332 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001496210187 1070835809 /nfs/dbraw/zinc/83/58/09/1070835809.db2.gz HIJCGEZEJPVXBA-OAHLLOKOSA-N 0 0 460.583 1.971 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001496210185 1070835821 /nfs/dbraw/zinc/83/58/21/1070835821.db2.gz HIJCGEZEJPVXBA-HNNXBMFYSA-N 0 0 460.583 1.971 20 0 JDADRN 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COc1ccc(CCCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC001504238682 1070905785 /nfs/dbraw/zinc/90/57/85/1070905785.db2.gz WVCIKDMLMYEUIA-OAQYLSRUSA-N 0 0 484.601 1.944 20 0 JDADRN CCOC1CC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001502961738 1070905484 /nfs/dbraw/zinc/90/54/84/1070905484.db2.gz GARCLQLTGDQQMV-UHFFFAOYSA-N 0 0 497.593 1.398 20 0 JDADRN COc1ccc(CCn2c(-c3cccn3C)nnc2N2CCO[C@H](CNC(C)=O)C2)c(OC)c1 ZINC001504239583 1070907101 /nfs/dbraw/zinc/90/71/01/1070907101.db2.gz QPJIQSJKDWXKBM-HXUWFJFHSA-N 0 0 468.558 1.885 20 0 JDADRN CCOC1CC(O)(Cn2c(-c3ccccc3Br)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001502962185 1070907286 /nfs/dbraw/zinc/90/72/86/1070907286.db2.gz MZGMAOQUEUUDFQ-WCGZIJFHSA-N 0 0 464.364 1.949 20 0 JDADRN COc1ccc(CCn2c(C)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)c(OC)c1 ZINC001504239869 1070907411 /nfs/dbraw/zinc/90/74/11/1070907411.db2.gz VDMQVSZXOLZBAS-HTAPYJJXSA-N 0 0 456.591 1.835 20 0 JDADRN COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)cc1OC(F)F ZINC001504239889 1070907783 /nfs/dbraw/zinc/90/77/83/1070907783.db2.gz WBKLZZDKRGQUNO-ZDUSSCGKSA-N 0 0 475.518 1.578 20 0 JDADRN CCOC1CC(O)(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001502962443 1070907906 /nfs/dbraw/zinc/90/79/06/1070907906.db2.gz MIQGYTYFZKDNNX-UHFFFAOYSA-N 0 0 473.622 1.811 20 0 JDADRN CCOC1CC(O)(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@H]2C)C1 ZINC001502962204 1070908566 /nfs/dbraw/zinc/90/85/66/1070908566.db2.gz NLNXOAUCEPJIIU-MLTOCSBZSA-N 0 0 460.579 1.571 20 0 JDADRN CCOC1CC(O)(Cn2c(Cc3ccccc3F)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001502962892 1070910250 /nfs/dbraw/zinc/91/02/50/1070910250.db2.gz BTGQQVJZWJGUIF-UHFFFAOYSA-N 0 0 481.594 1.456 20 0 JDADRN COc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)c(OC)c1OC ZINC001504240725 1070908729 /nfs/dbraw/zinc/90/87/29/1070908729.db2.gz UGIVEKFKVQGROI-HNNXBMFYSA-N 0 0 469.546 1.614 20 0 JDADRN COc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1OC ZINC001504240248 1070909194 /nfs/dbraw/zinc/90/91/94/1070909194.db2.gz DUTZSBIPLLPSQI-INIZCTEOSA-N 0 0 489.602 1.409 20 0 JDADRN CCOC1CC(O)(Cn2c(COc3cccc(C)c3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001502962760 1070910364 /nfs/dbraw/zinc/91/03/64/1070910364.db2.gz OKWXRVBCGWZYHL-UHFFFAOYSA-N 0 0 458.563 1.557 20 0 JDADRN CCOC1CC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 ZINC001502962920 1070910412 /nfs/dbraw/zinc/91/04/12/1070910412.db2.gz GMEZHHVPDDEKLK-NXVXTRFCSA-N 0 0 478.638 1.139 20 0 JDADRN COc1ccc(CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1OC ZINC001504235846 1070900137 /nfs/dbraw/zinc/90/01/37/1070900137.db2.gz KUJZNBSUWGLZLL-KRWDZBQOSA-N 0 0 470.574 1.717 20 0 JDADRN COc1ccc(CCc2nnc(N3CC[C@@H](OC)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001504235819 1070900262 /nfs/dbraw/zinc/90/02/62/1070900262.db2.gz PCWKEGFSVJFZOA-UYAOXDASSA-N 0 0 463.604 1.721 20 0 JDADRN CCOC1CC(O)(Cn2c(Cc3ccccn3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001502965475 1070919030 /nfs/dbraw/zinc/91/90/30/1070919030.db2.gz ZCZQQNRFJRMHJG-UHFFFAOYSA-N 0 0 456.591 1.935 20 0 JDADRN CCOC1CC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001502965464 1070919198 /nfs/dbraw/zinc/91/91/98/1070919198.db2.gz ZADMFFVJQLPWSB-UHFFFAOYSA-N 0 0 462.982 1.914 20 0 JDADRN CCOC1CC(O)(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001502963296 1070911065 /nfs/dbraw/zinc/91/10/65/1070911065.db2.gz IFLYORGHKPGLKD-UEUGHCDMSA-N 0 0 480.587 1.592 20 0 JDADRN CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001502963082 1070911347 /nfs/dbraw/zinc/91/13/47/1070911347.db2.gz HOCGQGILEPDJAE-JQHMZKTJSA-N 0 0 464.567 1.074 20 0 JDADRN COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)cc1OC ZINC001504246709 1070919123 /nfs/dbraw/zinc/91/91/23/1070919123.db2.gz ARZMVHQTDUVPMB-UZLBHIALSA-N 0 0 495.602 1.096 20 0 JDADRN CCOC1CC(O)(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001502963293 1070912126 /nfs/dbraw/zinc/91/21/26/1070912126.db2.gz IFLYORGHKPGLKD-COFLGROHSA-N 0 0 480.587 1.592 20 0 JDADRN COc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)c(OC)c1 ZINC001504241714 1070911928 /nfs/dbraw/zinc/91/19/28/1070911928.db2.gz LNDNWQJXXSOCDT-LJQANCHMSA-N 0 0 479.603 1.861 20 0 JDADRN CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001502963173 1070912218 /nfs/dbraw/zinc/91/22/18/1070912218.db2.gz WMANQAUHXAUSIH-KKWNJKKUSA-N 0 0 459.551 1.769 20 0 JDADRN COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(OCC(N)=O)CC2)c(OC)c1 ZINC001504242424 1070912493 /nfs/dbraw/zinc/91/24/93/1070912493.db2.gz UYTCJZWKEONKPO-GOSISDBHSA-N 0 0 473.574 1.903 20 0 JDADRN COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)c(OC)c1OC ZINC001504242543 1070912584 /nfs/dbraw/zinc/91/25/84/1070912584.db2.gz VYLWNIFYEGTPNC-RYQLBKOJSA-N 0 0 475.546 1.348 20 0 JDADRN COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCS(=O)(=O)CC2)cc1OC ZINC001504243090 1070912720 /nfs/dbraw/zinc/91/27/20/1070912720.db2.gz MMWGYZAZHGGTAA-UHFFFAOYSA-N 0 0 457.556 1.759 20 0 JDADRN CCOC1CC(O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)C2CCCCC2)C1 ZINC001502963646 1070912633 /nfs/dbraw/zinc/91/26/33/1070912633.db2.gz KCOPWLMNIKNXPG-ZWOUTAOBSA-N 0 0 499.678 1.946 20 0 JDADRN CCOC1CC(O)(Cn2c(Cc3ccccc3C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001502963590 1070913016 /nfs/dbraw/zinc/91/30/16/1070913016.db2.gz GEKYFKVABUUZGX-UHFFFAOYSA-N 0 0 477.631 1.625 20 0 JDADRN CCOC1CC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001502963700 1070913077 /nfs/dbraw/zinc/91/30/77/1070913077.db2.gz KMPGBBAMMBCDTG-QXAHSBQVSA-N 0 0 485.651 1.352 20 0 JDADRN CCOC1CC(O)(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001502963835 1070913167 /nfs/dbraw/zinc/91/31/67/1070913167.db2.gz GIYZIYMWAVDIDY-WUZYXKQASA-N 0 0 451.568 1.974 20 0 JDADRN COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CCC(N)=O)CC2)c(OC)c1 ZINC001504242312 1070913356 /nfs/dbraw/zinc/91/33/56/1070913356.db2.gz UUAXXLJUWAQOCV-IBGZPJMESA-N 0 0 470.574 1.971 20 0 JDADRN CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(Br)C2)C1 ZINC001502963393 1070913433 /nfs/dbraw/zinc/91/34/33/1070913433.db2.gz JEOBINHSICCVQU-MJJDPTRDSA-N 0 0 475.409 1.599 20 0 JDADRN CCOC1CC(O)(Cn2c(N3CCC(CNC(=O)c4cnn(C)c4)CC3)nnc2C(C)(C)C)C1 ZINC001502963838 1070913502 /nfs/dbraw/zinc/91/35/02/1070913502.db2.gz GKWOIGWDQOIEAM-UHFFFAOYSA-N 0 0 473.622 1.886 20 0 JDADRN CCOC1CC(O)(Cn2c(Cc3ccncc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001502965149 1070919554 /nfs/dbraw/zinc/91/95/54/1070919554.db2.gz VJJNYOBVJWIZMO-UHFFFAOYSA-N 0 0 478.619 1.054 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCOCC2)c(OC)c1 ZINC001504244059 1070913797 /nfs/dbraw/zinc/91/37/97/1070913797.db2.gz DNXFINWNMLRFGJ-HNNXBMFYSA-N 0 0 483.591 1.083 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2OC)cc1 ZINC001504243656 1070913811 /nfs/dbraw/zinc/91/38/11/1070913811.db2.gz ALEPIMUEYYQQPX-VDZJLULYSA-N 0 0 467.592 1.585 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)COCCO2)cc1OC ZINC001504244043 1070913953 /nfs/dbraw/zinc/91/39/53/1070913953.db2.gz DIOJZQNPJNVUFF-VFNWGFHPSA-N 0 0 483.591 1.347 20 0 JDADRN CCOC1CC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001502963993 1070913948 /nfs/dbraw/zinc/91/39/48/1070913948.db2.gz HSIAKQAFKNUGNS-KQVJYAISSA-N 0 0 477.993 1.794 20 0 JDADRN CCOC1CC(O)(Cn2c(CC3CC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001502964100 1070914025 /nfs/dbraw/zinc/91/40/25/1070914025.db2.gz XFINUNZMWTZMFW-UHFFFAOYSA-N 0 0 455.625 1.411 20 0 JDADRN CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001502964051 1070914205 /nfs/dbraw/zinc/91/42/05/1070914205.db2.gz LPWBLUXPUZTCSR-WPXLVEJESA-N 0 0 461.588 1.533 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2C)c(OC)c1 ZINC001504244057 1070914067 /nfs/dbraw/zinc/91/40/67/1070914067.db2.gz DMESOKMGGIJEOK-CQSZACIVSA-N 0 0 477.591 1.632 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2OC)cc1 ZINC001504243654 1070914423 /nfs/dbraw/zinc/91/44/23/1070914423.db2.gz ALEPIMUEYYQQPX-IEZWGBDMSA-N 0 0 467.592 1.585 20 0 JDADRN CCOC1CC(O)(Cn2c(COc3ccc(F)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502963924 1070914604 /nfs/dbraw/zinc/91/46/04/1070914604.db2.gz VEWHXJMTUARKKA-BWDFOLQRSA-N 0 0 482.578 1.940 20 0 JDADRN COc1ccc(CCn2c(CN3CCCC3=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC001504244808 1070915106 /nfs/dbraw/zinc/91/51/06/1070915106.db2.gz AQGOZIIRAYVMQR-KRWDZBQOSA-N 0 0 477.587 1.284 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)cc1 ZINC001504244086 1070915178 /nfs/dbraw/zinc/91/51/78/1070915178.db2.gz FEEAVWXKZFIUEJ-FOIQADDNSA-N 0 0 453.565 1.339 20 0 JDADRN COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N(C)C)cc1F ZINC001504244670 1070915272 /nfs/dbraw/zinc/91/52/72/1070915272.db2.gz OUWXMUKLJTXDPD-UHFFFAOYSA-N 0 0 491.549 1.601 20 0 JDADRN CCOC1CC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001502964343 1070915271 /nfs/dbraw/zinc/91/52/71/1070915271.db2.gz ZUDLHQXPMDPUTH-UHFFFAOYSA-N 0 0 456.547 1.066 20 0 JDADRN CCOC1CC(O)(Cn2c(N3CCN(C(=O)OC)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001502964232 1070915674 /nfs/dbraw/zinc/91/56/74/1070915674.db2.gz IHFPJSOPRYPSAZ-JUDZIISOSA-N 0 0 481.594 1.526 20 0 JDADRN COc1ccc(CCn2c(CN3CCCC3=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC001504244810 1070915466 /nfs/dbraw/zinc/91/54/66/1070915466.db2.gz AQGOZIIRAYVMQR-QGZVFWFLSA-N 0 0 477.587 1.284 20 0 JDADRN COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)cc1OC ZINC001504245431 1070915971 /nfs/dbraw/zinc/91/59/71/1070915971.db2.gz DXHUQFRLXADNMI-KRWDZBQOSA-N 0 0 456.547 1.362 20 0 JDADRN 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COc1ncccc1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC(N)=O ZINC001504460337 1071238080 /nfs/dbraw/zinc/23/80/80/1071238080.db2.gz FVTYAQSVJKNQDQ-AWEZNQCLSA-N 0 0 462.514 1.344 20 0 JDADRN CCS(=O)(=O)CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 ZINC001503243767 1071238394 /nfs/dbraw/zinc/23/83/94/1071238394.db2.gz AEOBNDGLACQABC-IERDGZPVSA-N 0 0 469.583 1.495 20 0 JDADRN COc1ncccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504462476 1071241167 /nfs/dbraw/zinc/24/11/67/1071241167.db2.gz YAULPMIKGOAHQL-UHFFFAOYSA-N 0 0 498.975 1.619 20 0 JDADRN COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001504460856 1071238902 /nfs/dbraw/zinc/23/89/02/1071238902.db2.gz LOGYJMKXNJVALH-LSDHHAIUSA-N 0 0 450.565 1.110 20 0 JDADRN COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001504460848 1071238915 /nfs/dbraw/zinc/23/89/15/1071238915.db2.gz LOGYJMKXNJVALH-GJZGRUSLSA-N 0 0 450.565 1.110 20 0 JDADRN 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479.603 1.558 20 0 JDADRN CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)c1ccccc1 ZINC001503245100 1071243702 /nfs/dbraw/zinc/24/37/02/1071243702.db2.gz RSOOVEXYGZICHI-FUHWJXTLSA-N 0 0 470.617 1.863 20 0 JDADRN CCS(=O)(=O)CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)CC ZINC001503246504 1071246715 /nfs/dbraw/zinc/24/67/15/1071246715.db2.gz SYRSZJSAAWNUMA-UHFFFAOYSA-N 0 0 454.574 1.997 20 0 JDADRN CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1NC(=O)CC1(C)C ZINC001503246192 1071246771 /nfs/dbraw/zinc/24/67/71/1071246771.db2.gz XGMYQZVQHGJIDL-CUSZFKRNSA-N 0 0 471.624 1.176 20 0 JDADRN CO[C@@H]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001504467471 1071244227 /nfs/dbraw/zinc/24/42/27/1071244227.db2.gz GTBWGESSZATENC-YSIASYRMSA-N 0 0 490.630 1.666 20 0 JDADRN CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 ZINC001503245413 1071244528 /nfs/dbraw/zinc/24/45/28/1071244528.db2.gz QHGBSTCPBKLMNO-SQGPQFPESA-N 0 0 480.587 1.856 20 0 JDADRN 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20 0 JDADRN CN(C)c1n[nH]c(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC001471225333 1068844206 /nfs/dbraw/zinc/84/42/06/1068844206.db2.gz UAEQWYZPVXASON-LLVKDONJSA-N 0 0 451.329 1.589 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CNC(=O)NCCCn3cc(CO)nn3)C2)CC1 ZINC001471225490 1068844253 /nfs/dbraw/zinc/84/42/53/1068844253.db2.gz RDYCQFHZPUQGRG-QGZVFWFLSA-N 0 0 452.556 1.266 20 0 JDADRN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001471225991 1068844260 /nfs/dbraw/zinc/84/42/60/1068844260.db2.gz GQABYPWURUSGKN-UHFFFAOYSA-N 0 0 453.605 1.558 20 0 JDADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001471229898 1068844597 /nfs/dbraw/zinc/84/45/97/1068844597.db2.gz DXSPPJGBUGJKQT-PKOBYXMFSA-N 0 0 452.596 1.319 20 0 JDADRN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)c1 ZINC001471229036 1068844694 /nfs/dbraw/zinc/84/46/94/1068844694.db2.gz MMOJZISEONEISU-NRFANRHFSA-N 0 0 459.568 1.493 20 0 JDADRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCC[C@H]3C=CCC3)CC2)cc1 ZINC001471228495 1068844723 /nfs/dbraw/zinc/84/47/23/1068844723.db2.gz RLFLHODFTSSNTA-INIZCTEOSA-N 0 0 456.590 1.096 20 0 JDADRN COc1ccc(CCNC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1O ZINC001471235689 1068845463 /nfs/dbraw/zinc/84/54/63/1068845463.db2.gz XPSUWHYCMVSWMB-UHFFFAOYSA-N 0 0 453.483 1.941 20 0 JDADRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)cc1 ZINC001471236043 1068845609 /nfs/dbraw/zinc/84/56/09/1068845609.db2.gz XXCABGPACGORSX-NRFANRHFSA-N 0 0 459.568 1.493 20 0 JDADRN O=C(NCCC[C@H]1CCOC1=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001471239642 1068845660 /nfs/dbraw/zinc/84/56/60/1068845660.db2.gz UKNSXBKSDSCBSE-ZDUSSCGKSA-N 0 0 453.546 1.051 20 0 JDADRN Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)C2)cn1 ZINC001471245891 1068845908 /nfs/dbraw/zinc/84/59/08/1068845908.db2.gz XMQKIUXERGYCNY-ULQDDVLXSA-N 0 0 454.593 1.366 20 0 JDADRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC001471244169 1068846005 /nfs/dbraw/zinc/84/60/05/1068846005.db2.gz JGJJHGMIFRHULL-OAHLLOKOSA-N 0 0 458.602 1.892 20 0 JDADRN COC(=O)C[C@@H](NC(=O)[C@@H]1CCc2nncn2C1)c1cccc(I)c1 ZINC001471244263 1068846031 /nfs/dbraw/zinc/84/60/31/1068846031.db2.gz JZNWVVXFTHILSJ-TZMCWYRMSA-N 0 0 454.268 1.866 20 0 JDADRN COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)OC(C)(C)C)C3)cc2S1(=O)=O ZINC001471245611 1068846059 /nfs/dbraw/zinc/84/60/59/1068846059.db2.gz VEZSXKFPIXRPMH-OAHLLOKOSA-N 0 0 452.529 1.671 20 0 JDADRN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)cn1 ZINC001471249756 1068846398 /nfs/dbraw/zinc/84/63/98/1068846398.db2.gz DMRYMXACBOFTTQ-ZDUSSCGKSA-N 0 0 456.446 1.802 20 0 JDADRN COC(=O)C1=NO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)C2)C1 ZINC001471262120 1068847018 /nfs/dbraw/zinc/84/70/18/1068847018.db2.gz ZJLVBRZYVHOZLQ-HXPMCKFVSA-N 0 0 450.289 1.722 20 0 JDADRN COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)C2)C1 ZINC001471262115 1068847059 /nfs/dbraw/zinc/84/70/59/1068847059.db2.gz ZJLVBRZYVHOZLQ-BLVKFPJESA-N 0 0 450.289 1.722 20 0 JDADRN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)o1 ZINC001471262548 1068847126 /nfs/dbraw/zinc/84/71/26/1068847126.db2.gz LWAGSJYXSSSAAF-RHSMWYFYSA-N 0 0 468.482 1.443 20 0 JDADRN COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001471266991 1068847511 /nfs/dbraw/zinc/84/75/11/1068847511.db2.gz YOQGUEAAYWBFBY-QKKBWIMNSA-N 0 0 451.524 1.830 20 0 JDADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1)CCS2(=O)=O ZINC001471264518 1068847526 /nfs/dbraw/zinc/84/75/26/1068847526.db2.gz CQIMJVRYDWILSI-DEWJTKQSSA-N 0 0 456.483 1.685 20 0 JDADRN O=C(NC[C@]12COC(=O)N1CCOC2)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001471266041 1068847529 /nfs/dbraw/zinc/84/75/29/1068847529.db2.gz KQXOALIXZDUTKQ-KRWDZBQOSA-N 0 0 456.680 1.895 20 0 JDADRN Cc1n[nH]c(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1I ZINC001471271036 1068847871 /nfs/dbraw/zinc/84/78/71/1068847871.db2.gz IEGAYCSKBPGREY-UHFFFAOYSA-N 0 0 453.240 1.305 20 0 JDADRN CCOc1ccccc1N1C[C@H](C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1=O ZINC001471272577 1068847917 /nfs/dbraw/zinc/84/79/17/1068847917.db2.gz KDCJVYIMFJYNDT-GOSISDBHSA-N 0 0 450.495 1.806 20 0 JDADRN CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)nn2)C1 ZINC001471278293 1068848696 /nfs/dbraw/zinc/84/86/96/1068848696.db2.gz IBZDKLXBVBGKJO-LLVKDONJSA-N 0 0 458.388 1.428 20 0 JDADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001471284792 1068849159 /nfs/dbraw/zinc/84/91/59/1068849159.db2.gz AHFIVQVDWFWXPC-ROUUACIJSA-N 0 0 457.531 1.972 20 0 JDADRN CC[C@@H]1CN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)C[C@@H](C)S1(=O)=O ZINC001471279029 1068849173 /nfs/dbraw/zinc/84/91/73/1068849173.db2.gz UIRHOSZOPSCQOU-CZUORRHYSA-N 0 0 456.569 1.177 20 0 JDADRN O=C(NC[C@H]1CCCN1CC(F)(F)F)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001471282496 1068849201 /nfs/dbraw/zinc/84/92/01/1068849201.db2.gz TWVYVHZXHMHQSQ-HUUCEWRRSA-N 0 0 454.449 1.720 20 0 JDADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[C@H](O)C1 ZINC001471285569 1068849413 /nfs/dbraw/zinc/84/94/13/1068849413.db2.gz CZYAEMGHCAXJMZ-ZWKOTPCHSA-N 0 0 456.561 1.736 20 0 JDADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)[C@H](O)C1 ZINC001471286636 1068849433 /nfs/dbraw/zinc/84/94/33/1068849433.db2.gz MQJMCWDAZFTJSA-DLBZAZTESA-N 0 0 459.540 1.371 20 0 JDADRN CCOC(=O)[C@]1(C)CN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC001471285157 1068849460 /nfs/dbraw/zinc/84/94/60/1068849460.db2.gz VXVAKSSDWKKKBT-QYWGDWMGSA-N 0 0 454.545 1.279 20 0 JDADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)[C@@H](O)C1 ZINC001471285213 1068849507 /nfs/dbraw/zinc/84/95/07/1068849507.db2.gz CGYXONMKWFOBKV-MSOLQXFVSA-N 0 0 453.580 1.672 20 0 JDADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)[C@H](O)C1 ZINC001471285214 1068849511 /nfs/dbraw/zinc/84/95/11/1068849511.db2.gz CGYXONMKWFOBKV-QZTJIDSGSA-N 0 0 453.580 1.672 20 0 JDADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001471285870 1068849518 /nfs/dbraw/zinc/84/95/18/1068849518.db2.gz DOSHNUXRMYNJSZ-ZWKOTPCHSA-N 0 0 457.531 1.559 20 0 JDADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001471289657 1068849855 /nfs/dbraw/zinc/84/98/55/1068849855.db2.gz PEMMBQYRCPOGEX-GJZGRUSLSA-N 0 0 453.540 1.545 20 0 JDADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001471289659 1068849886 /nfs/dbraw/zinc/84/98/86/1068849886.db2.gz PEMMBQYRCPOGEX-HUUCEWRRSA-N 0 0 453.540 1.545 20 0 JDADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001471287201 1068849913 /nfs/dbraw/zinc/84/99/13/1068849913.db2.gz JJVYDEIATCMNPW-OALUTQOASA-N 0 0 458.563 1.925 20 0 JDADRN O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)N1CCNC(=O)[C@H]1c1ccc(I)cc1 ZINC001471297587 1068850364 /nfs/dbraw/zinc/85/03/64/1068850364.db2.gz BVNIKRIMLXBDNZ-DMRZNYOFSA-N 0 0 471.295 1.278 20 0 JDADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NCCc2ccccc2S(C)(=O)=O)CCO1 ZINC001471300151 1068850656 /nfs/dbraw/zinc/85/06/56/1068850656.db2.gz ILUSDIXYDLIRCW-WBVHZDCISA-N 0 0 455.577 1.956 20 0 JDADRN O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001471298640 1068850746 /nfs/dbraw/zinc/85/07/46/1068850746.db2.gz NELMHXKSYGCFAG-UPJWGTAASA-N 0 0 480.406 1.330 20 0 JDADRN O=C(CNC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1)NCC(=O)NCc1ccccc1 ZINC001471303453 1068850984 /nfs/dbraw/zinc/85/09/84/1068850984.db2.gz CRRJOEGGOZXVQP-QGZVFWFLSA-N 0 0 452.433 1.471 20 0 JDADRN O=C(CNC(=O)N(Cc1ccccc1)CC1(O)CCCC1)NCC(=O)NCc1ccccc1 ZINC001471304160 1068851000 /nfs/dbraw/zinc/85/10/00/1068851000.db2.gz LYJFEALYEZDUQH-UHFFFAOYSA-N 0 0 452.555 1.936 20 0 JDADRN CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)CS(C)(=O)=O ZINC001471303501 1068851017 /nfs/dbraw/zinc/85/10/17/1068851017.db2.gz FBTRIBGAYCTQSD-UHFFFAOYSA-N 0 0 451.998 1.427 20 0 JDADRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001471304210 1068851033 /nfs/dbraw/zinc/85/10/33/1068851033.db2.gz NNAYRDQNFRXGGT-UHFFFAOYSA-N 0 0 450.499 1.300 20 0 JDADRN C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)C[C@@H](C)O1 ZINC001471304475 1068851392 /nfs/dbraw/zinc/85/13/92/1068851392.db2.gz YVBQJUKURADLHP-SFHLNBCPSA-N 0 0 459.591 1.044 20 0 JDADRN O=C(Nc1ccc2c(c1)SCC(=O)N2)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001471307648 1068851771 /nfs/dbraw/zinc/85/17/71/1068851771.db2.gz XJFZCVZZIBSXAS-RRFJBIMHSA-N 0 0 451.570 1.779 20 0 JDADRN O=C(Nc1ccc2c(c1)SCC(=O)N2)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001471307643 1068851838 /nfs/dbraw/zinc/85/18/38/1068851838.db2.gz XJFZCVZZIBSXAS-KFWWJZLASA-N 0 0 451.570 1.779 20 0 JDADRN COc1ccc(C(=O)NC2CN(c3ccncn3)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001471308638 1068852234 /nfs/dbraw/zinc/85/22/34/1068852234.db2.gz QROSYMJKOFGCSI-HOTGVXAUSA-N 0 0 459.572 1.770 20 0 JDADRN O=C(CNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1)NCC(=O)NCc1ccccc1 ZINC001471309503 1068852248 /nfs/dbraw/zinc/85/22/48/1068852248.db2.gz SVDFHJQINMMSLD-QGZVFWFLSA-N 0 0 452.433 1.471 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 ZINC001471310944 1068852551 /nfs/dbraw/zinc/85/25/51/1068852551.db2.gz IJFFVOPOHLTRJV-LPHOPBHVSA-N 0 0 454.593 1.151 20 0 JDADRN COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C[C@H]1c1ccc(O)cc1 ZINC001471311144 1068852631 /nfs/dbraw/zinc/85/26/31/1068852631.db2.gz MJGICRBPKNTLMB-LEWJYISDSA-N 0 0 475.567 1.882 20 0 JDADRN CNC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC001471311110 1068852643 /nfs/dbraw/zinc/85/26/43/1068852643.db2.gz ZGKAVLZSCKPCNP-QGZVFWFLSA-N 0 0 455.511 1.840 20 0 JDADRN CC(C)CC(=O)N1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC001471315122 1068852691 /nfs/dbraw/zinc/85/26/91/1068852691.db2.gz JFNSNLQNBHXHIV-UHFFFAOYSA-N 0 0 453.561 1.233 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 ZINC001471310946 1068852703 /nfs/dbraw/zinc/85/27/03/1068852703.db2.gz IJFFVOPOHLTRJV-VQIMIIECSA-N 0 0 454.593 1.151 20 0 JDADRN CNS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC001471318842 1068852987 /nfs/dbraw/zinc/85/29/87/1068852987.db2.gz IOFUVBUMZUCKNQ-HOCLYGCPSA-N 0 0 450.483 1.536 20 0 JDADRN O=C(CN1CCN(C(=O)NCCN2Cc3ccccc3OCC2=O)CC1)N1CCCCCC1 ZINC001471319994 1068853354 /nfs/dbraw/zinc/85/33/54/1068853354.db2.gz PQHUOEXHIJBVNE-UHFFFAOYSA-N 0 0 457.575 1.137 20 0 JDADRN CN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](CO)c1ccccc1 ZINC001471320233 1068853450 /nfs/dbraw/zinc/85/34/50/1068853450.db2.gz ONDBLAUCGKFHSR-ROUUACIJSA-N 0 0 455.577 1.786 20 0 JDADRN 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NPFLKQKGDOFQKS-UHFFFAOYSA-N 0 0 459.595 1.365 20 0 JDADRN CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC001475095496 1069356458 /nfs/dbraw/zinc/35/64/58/1069356458.db2.gz KQAANORMFCGTTO-UONOGXRCSA-N 0 0 454.364 1.421 20 0 JDADRN CCCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)CC1=O ZINC001501024435 1069360551 /nfs/dbraw/zinc/36/05/51/1069360551.db2.gz GHGKVGXOELEHFN-INIZCTEOSA-N 0 0 466.633 1.751 20 0 JDADRN COc1ccccc1N1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1=O ZINC001475096452 1069356811 /nfs/dbraw/zinc/35/68/11/1069356811.db2.gz XKYAXYRWSZDCLS-CQSZACIVSA-N 0 0 453.542 1.029 20 0 JDADRN COC(=O)[C@H](COC1CCC1)N(C)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001475096719 1069356829 /nfs/dbraw/zinc/35/68/29/1069356829.db2.gz OPXYDCPSYDZGFF-AWEZNQCLSA-N 0 0 455.455 1.048 20 0 JDADRN CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2noc(CC)n2)CC1=O ZINC001501012884 1069356849 /nfs/dbraw/zinc/35/68/49/1069356849.db2.gz XZRNIMVRNFGNSI-HSZRJFAPSA-N 0 0 475.594 1.956 20 0 JDADRN COc1ccccc1N1CC[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)C1=O ZINC001475096437 1069356992 /nfs/dbraw/zinc/35/69/92/1069356992.db2.gz XGGCAAVIXAFDII-AWEZNQCLSA-N 0 0 454.526 1.191 20 0 JDADRN C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC001475098292 1069357351 /nfs/dbraw/zinc/35/73/51/1069357351.db2.gz ZHZBRWRPPFWPIM-MRVPVSSYSA-N 0 0 452.352 1.617 20 0 JDADRN C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001475097845 1069357365 /nfs/dbraw/zinc/35/73/65/1069357365.db2.gz RGYJPTNRGFELRN-CQSZACIVSA-N 0 0 450.604 1.057 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)OC)CC1=O ZINC001501013928 1069357383 /nfs/dbraw/zinc/35/73/83/1069357383.db2.gz FHXBRLZZXKUQJB-QGZVFWFLSA-N 0 0 478.619 1.679 20 0 JDADRN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]3COCC[C@@H]32)c(OC)c1 ZINC001475098026 1069357400 /nfs/dbraw/zinc/35/74/00/1069357400.db2.gz ARGKVMORYFKAEZ-GOEBONIOSA-N 0 0 450.604 1.742 20 0 JDADRN C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC001475098293 1069357539 /nfs/dbraw/zinc/35/75/39/1069357539.db2.gz ZHZBRWRPPFWPIM-QMMMGPOBSA-N 0 0 452.352 1.617 20 0 JDADRN CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1=O ZINC001501013851 1069357467 /nfs/dbraw/zinc/35/74/67/1069357467.db2.gz BLCFZKDWYJUMHK-UHFFFAOYSA-N 0 0 469.011 1.987 20 0 JDADRN Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cn1 ZINC001475106946 1069361059 /nfs/dbraw/zinc/36/10/59/1069361059.db2.gz ZNJXYHUDGNDYDT-SJORKVTESA-N 0 0 456.565 1.423 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCSC2)CC1=O ZINC001501014869 1069357720 /nfs/dbraw/zinc/35/77/20/1069357720.db2.gz VVRLFZLSFRBXKQ-JOCHJYFZSA-N 0 0 493.655 1.665 20 0 JDADRN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001475100144 1069357915 /nfs/dbraw/zinc/35/79/15/1069357915.db2.gz REODKTFAZVYUPH-CABZTGNLSA-N 0 0 459.359 1.593 20 0 JDADRN CCCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CC1=O ZINC001501024431 1069360664 /nfs/dbraw/zinc/36/06/64/1069360664.db2.gz GGDJQBFELFGJLT-SFHVURJKSA-N 0 0 461.588 1.708 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CCOC)CC1=O ZINC001501014882 1069358021 /nfs/dbraw/zinc/35/80/21/1069358021.db2.gz WBUBNOKLTCCGCW-HSZRJFAPSA-N 0 0 493.630 1.585 20 0 JDADRN COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCC[C@@H]2O)ccc1I ZINC001475106035 1069360730 /nfs/dbraw/zinc/36/07/30/1069360730.db2.gz SKNIULFGBMMSKM-YGRLFVJLSA-N 0 0 453.298 1.859 20 0 JDADRN CCCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CC1=O ZINC001501024307 1069360680 /nfs/dbraw/zinc/36/06/80/1069360680.db2.gz DZKIEHOQXPMOIC-GFCCVEGCSA-N 0 0 484.367 1.617 20 0 JDADRN CCCN1CCCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1=O ZINC001501018432 1069358289 /nfs/dbraw/zinc/35/82/89/1069358289.db2.gz BFBUQQZNZFMOBD-UHFFFAOYSA-N 0 0 462.558 1.934 20 0 JDADRN CCCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1=O ZINC001501024274 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CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001502382023 1070326294 /nfs/dbraw/zinc/32/62/94/1070326294.db2.gz RNMFJTKRVUWGRM-MSOLQXFVSA-N 0 0 486.621 1.732 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn32)CC1 ZINC001502384427 1070328655 /nfs/dbraw/zinc/32/86/55/1070328655.db2.gz PIRHCZIHNANEQW-UHFFFAOYSA-N 0 0 454.583 1.403 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001502382078 1070326639 /nfs/dbraw/zinc/32/66/39/1070326639.db2.gz SDBDBSZCXZHQLF-GOSISDBHSA-N 0 0 486.621 1.768 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001502383692 1070327242 /nfs/dbraw/zinc/32/72/42/1070327242.db2.gz AOWPPOMKQHRSRE-KRWDZBQOSA-N 0 0 482.651 1.037 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001502383693 1070327558 /nfs/dbraw/zinc/32/75/58/1070327558.db2.gz AOWPPOMKQHRSRE-QGZVFWFLSA-N 0 0 482.651 1.037 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001502383667 1070327671 /nfs/dbraw/zinc/32/76/71/1070327671.db2.gz AGFSNJNTMCJZLC-LSDHHAIUSA-N 0 0 492.593 1.255 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001502384038 1070328154 /nfs/dbraw/zinc/32/81/54/1070328154.db2.gz GCWOSASUVLVXAV-GOSISDBHSA-N 0 0 486.621 1.324 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502384010 1070328296 /nfs/dbraw/zinc/32/82/96/1070328296.db2.gz FEZJJUWJZXMYNY-MDZRGWNJSA-N 0 0 487.557 1.313 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F ZINC001502384630 1070329285 /nfs/dbraw/zinc/32/92/85/1070329285.db2.gz VCKLOPCXXGQFIJ-CYBMUJFWSA-N 0 0 484.545 1.162 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001502384466 1070329357 /nfs/dbraw/zinc/32/93/57/1070329357.db2.gz QJATVZZADGAJQI-YJBOKZPZSA-N 0 0 456.547 1.620 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 ZINC001502384496 1070329486 /nfs/dbraw/zinc/32/94/86/1070329486.db2.gz RFABCSRBMBODAU-MRXNPFEDSA-N 0 0 456.613 1.154 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001502389768 1070333425 /nfs/dbraw/zinc/33/34/25/1070333425.db2.gz OLWYVCVXRCULMD-UHFFFAOYSA-N 0 0 457.579 1.789 20 0 JDADRN C[C@H]1CCCN(C(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3CCCNS(C)(=O)=O)CC2)C1 ZINC001493672299 1070329505 /nfs/dbraw/zinc/32/95/05/1070329505.db2.gz BEFACWUIHRQEHW-ICSRJNTNSA-N 0 0 496.678 1.586 20 0 JDADRN C[C@H]1CCCN(C(=O)C2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCC(=O)N(C)C)CC2)C1 ZINC001493672948 1070329526 /nfs/dbraw/zinc/32/95/26/1070329526.db2.gz DOTYPCFBEZAPKE-PKOBYXMFSA-N 0 0 494.662 1.133 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001502384725 1070329748 /nfs/dbraw/zinc/32/97/48/1070329748.db2.gz XJOOVMIURLLLCV-HRAATJIYSA-N 0 0 455.625 1.738 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001502386033 1070330287 /nfs/dbraw/zinc/33/02/87/1070330287.db2.gz GPNLYOAMJGDZDQ-SFHVURJKSA-N 0 0 462.620 1.830 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001502385978 1070330304 /nfs/dbraw/zinc/33/03/04/1070330304.db2.gz FLRCJLASOYGHAB-IBGZPJMESA-N 0 0 493.616 1.872 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001502385926 1070330634 /nfs/dbraw/zinc/33/06/34/1070330634.db2.gz DJJYPCJYKHSPJP-JOCHJYFZSA-N 0 0 460.604 1.441 20 0 JDADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C[C@@]1(C)COCCO1 ZINC001493675521 1070330920 /nfs/dbraw/zinc/33/09/20/1070330920.db2.gz NNNYNZJRQFSORG-KOSHJBKYSA-N 0 0 476.622 1.697 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 ZINC001502386239 1070330922 /nfs/dbraw/zinc/33/09/22/1070330922.db2.gz MUWYGXMDZWHIMF-UHFFFAOYSA-N 0 0 472.590 1.335 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001502389921 1070333890 /nfs/dbraw/zinc/33/38/90/1070333890.db2.gz TTXAEEWJIYAPMY-ZWKOTPCHSA-N 0 0 456.595 1.359 20 0 JDADRN C[C@@H]1CCCN(C(=O)C2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CC2)C1 ZINC001493678069 1070331379 /nfs/dbraw/zinc/33/13/79/1070331379.db2.gz VBMMCVPOICXHEQ-NVXWUHKLSA-N 0 0 486.539 1.935 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001502386448 1070331548 /nfs/dbraw/zinc/33/15/48/1070331548.db2.gz VEUSERZODHVAHD-UHFFFAOYSA-N 0 0 463.590 1.851 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001502387624 1070331797 /nfs/dbraw/zinc/33/17/97/1070331797.db2.gz BRANJSIWBMKTJZ-KRWDZBQOSA-N 0 0 482.589 1.956 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001502388225 1070332204 /nfs/dbraw/zinc/33/22/04/1070332204.db2.gz XDGNKISKLXSMQD-IBGZPJMESA-N 0 0 452.563 1.528 20 0 JDADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCc1ccn(C)n1 ZINC001493679529 1070332053 /nfs/dbraw/zinc/33/20/53/1070332053.db2.gz YUJKQQDNDUWIQO-GOSISDBHSA-N 0 0 470.622 1.867 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(-c2ccccc2)n1 ZINC001502389868 1070333661 /nfs/dbraw/zinc/33/36/61/1070333661.db2.gz RWFASSBKWXAHQW-UHFFFAOYSA-N 0 0 479.589 1.780 20 0 JDADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC(C)(C)O ZINC001493679551 1070332539 /nfs/dbraw/zinc/33/25/39/1070332539.db2.gz YUYDHZICMPOCSX-HZPDHXFCSA-N 0 0 470.640 1.134 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001502389400 1070332558 /nfs/dbraw/zinc/33/25/58/1070332558.db2.gz CRXBUPWJFXCAQY-NRFANRHFSA-N 0 0 497.644 1.418 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001502389463 1070332600 /nfs/dbraw/zinc/33/26/00/1070332600.db2.gz FLZODKZSOJFTJK-KRWDZBQOSA-N 0 0 456.595 1.365 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001502389362 1070332627 /nfs/dbraw/zinc/33/26/27/1070332627.db2.gz BRYYCYDUDDTGAL-SFHVURJKSA-N 0 0 475.638 1.551 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001502389375 1070332701 /nfs/dbraw/zinc/33/27/01/1070332701.db2.gz CABJUACWXZGABG-LJQANCHMSA-N 0 0 456.591 1.849 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001502389512 1070332874 /nfs/dbraw/zinc/33/28/74/1070332874.db2.gz GWQQZQJYVXPGJK-UHFFFAOYSA-N 0 0 499.660 1.846 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001502389554 1070332959 /nfs/dbraw/zinc/33/29/59/1070332959.db2.gz IFNFNLHFUQRACB-UHFFFAOYSA-N 0 0 484.584 1.558 20 0 JDADRN CCNC(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(OCCOC)CC2)CCC1 ZINC001502393845 1070338965 /nfs/dbraw/zinc/33/89/65/1070338965.db2.gz QIVUUYKQUXPOES-UHFFFAOYSA-N 0 0 462.595 1.452 20 0 JDADRN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC001493687783 1070334492 /nfs/dbraw/zinc/33/44/92/1070334492.db2.gz CWSOYVQANQFOQW-KURKYZTESA-N 0 0 477.635 1.915 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001502391204 1070334439 /nfs/dbraw/zinc/33/44/39/1070334439.db2.gz FQUXIFSNCNOIKI-UHFFFAOYSA-N 0 0 464.596 1.684 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 ZINC001502391360 1070334562 /nfs/dbraw/zinc/33/45/62/1070334562.db2.gz JQGIYIJRVHGSLP-GLDPYIMESA-N 0 0 478.638 1.249 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001502391361 1070334698 /nfs/dbraw/zinc/33/46/98/1070334698.db2.gz JQGIYIJRVHGSLP-JXQFQVJHSA-N 0 0 478.638 1.249 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001502393521 1070338454 /nfs/dbraw/zinc/33/84/54/1070338454.db2.gz MPQNWMAJZVGKPQ-LJQANCHMSA-N 0 0 475.638 1.426 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502391416 1070335087 /nfs/dbraw/zinc/33/50/87/1070335087.db2.gz KMKGJNMBCSCQKM-GOTSBHOMSA-N 0 0 462.595 1.340 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502391565 1070335202 /nfs/dbraw/zinc/33/52/02/1070335202.db2.gz OTWHUTFIMVZYKE-QHCPKHFHSA-N 0 0 464.611 1.573 20 0 JDADRN CCNC(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCC1 ZINC001502393489 1070338588 /nfs/dbraw/zinc/33/85/88/1070338588.db2.gz LXULHPICFZNUIJ-UHFFFAOYSA-N 0 0 473.622 1.515 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502391441 1070335336 /nfs/dbraw/zinc/33/53/36/1070335336.db2.gz LPGRAUHTBHRZFN-JTSKRJEESA-N 0 0 485.651 1.494 20 0 JDADRN CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001502391469 1070335453 /nfs/dbraw/zinc/33/54/53/1070335453.db2.gz MNBLYAKWFIMOQO-WOJBJXKFSA-N 0 0 491.681 1.603 20 0 JDADRN 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C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)CC(=O)N1C ZINC001494350080 1070562777 /nfs/dbraw/zinc/56/27/77/1070562777.db2.gz XCFRXVYCGLLADJ-HOTGVXAUSA-N 0 0 484.623 1.152 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)S1 ZINC001494350148 1070562802 /nfs/dbraw/zinc/56/28/02/1070562802.db2.gz XTBJGZGBJMILFT-INMHGKMJSA-N 0 0 484.669 1.962 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(CC)s2)C1 ZINC001502478167 1070562823 /nfs/dbraw/zinc/56/28/23/1070562823.db2.gz QDQDXLRZTJZIPY-PBHICJAKSA-N 0 0 487.673 1.370 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)CCO1 ZINC001494361730 1070567516 /nfs/dbraw/zinc/56/75/16/1070567516.db2.gz DUCCVYWPWQNVMV-APWZRJJASA-N 0 0 467.567 1.608 20 0 JDADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC(=O)N1C ZINC001494350651 1070563435 /nfs/dbraw/zinc/56/34/35/1070563435.db2.gz YLTTZXGCGSHWGS-WMZOPIPTSA-N 0 0 463.629 1.781 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(C)O)c2)CCO1 ZINC001494350560 1070563460 /nfs/dbraw/zinc/56/34/60/1070563460.db2.gz XZYZWIRYTAWWLF-VQIMIIECSA-N 0 0 479.603 1.112 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC(C)(C)O1 ZINC001494351755 1070563983 /nfs/dbraw/zinc/56/39/83/1070563983.db2.gz OBVCIRAZPDVROX-IEBWSBKVSA-N 0 0 475.615 1.543 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCCn2cc(Br)cn2)CC(=O)N1C ZINC001494351206 1070564106 /nfs/dbraw/zinc/56/41/06/1070564106.db2.gz KLSFTTZEFWWQFY-CABCVRRESA-N 0 0 466.384 1.888 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001494352259 1070564231 /nfs/dbraw/zinc/56/42/31/1070564231.db2.gz PKUHZHHIEQVVDN-BPQIPLTHSA-N 0 0 483.635 1.956 20 0 JDADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494351529 1070564460 /nfs/dbraw/zinc/56/44/60/1070564460.db2.gz MRHCWELESQTXGK-PEOGOYOCSA-N 0 0 485.651 1.937 20 0 JDADRN 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474.562 1.173 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)(C)C)C1 ZINC001504934446 1071951891 /nfs/dbraw/zinc/95/18/91/1071951891.db2.gz XHPDASHUYLDXON-ZWKOTPCHSA-N 0 0 473.622 1.813 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@@H]2C)C1 ZINC001504934916 1071954626 /nfs/dbraw/zinc/95/46/26/1071954626.db2.gz VZKSJRXGGTXXPV-VNTMZGSJSA-N 0 0 464.611 1.218 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC(C)(C)C1 ZINC001503636887 1071951927 /nfs/dbraw/zinc/95/19/27/1071951927.db2.gz ZYEGZIOSTLJSGX-UHFFFAOYSA-N 0 0 497.687 1.951 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2n[nH]c(C)n2)C1 ZINC001504934449 1071952105 /nfs/dbraw/zinc/95/21/05/1071952105.db2.gz XHVBVMQRLLELCI-DOTOQJQBSA-N 0 0 453.551 1.377 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)C)CC1 ZINC001504934890 1071954398 /nfs/dbraw/zinc/95/43/98/1071954398.db2.gz BWDCMXFPYGQPPH-UHFFFAOYSA-N 0 0 477.635 1.873 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)CC1 ZINC001504934825 1071954437 /nfs/dbraw/zinc/95/44/37/1071954437.db2.gz VHUZNWJUVYXKNU-HNNXBMFYSA-N 0 0 499.037 1.569 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001503637119 1071952445 /nfs/dbraw/zinc/95/24/45/1071952445.db2.gz GWIOBUZEDMGQRS-OAHLLOKOSA-N 0 0 477.509 1.842 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 ZINC001503637034 1071952625 /nfs/dbraw/zinc/95/26/25/1071952625.db2.gz DBIXENKPAWOBKU-VQIMIIECSA-N 0 0 454.574 1.139 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C)n2)C1 ZINC001504934620 1071952669 /nfs/dbraw/zinc/95/26/69/1071952669.db2.gz XYUUERBYLDGSRD-QGPMSJSTSA-N 0 0 475.619 1.604 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001504934572 1071952688 /nfs/dbraw/zinc/95/26/88/1071952688.db2.gz XMGSLSQFPINIFP-OVCNXMPXSA-N 0 0 457.579 1.654 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001503637341 1071952987 /nfs/dbraw/zinc/95/29/87/1071952987.db2.gz LBELVYKMPZNXPW-OAHLLOKOSA-N 0 0 472.608 1.778 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSc1ccccc1 ZINC001503637331 1071953017 /nfs/dbraw/zinc/95/30/17/1071953017.db2.gz KPWCVPMYSUSLNJ-HNNXBMFYSA-N 0 0 458.631 1.453 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001503637272 1071953115 /nfs/dbraw/zinc/95/31/15/1071953115.db2.gz IQILGUYLAGKTPZ-MRXNPFEDSA-N 0 0 460.526 1.629 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(C)(C)C2)CC1 ZINC001504934776 1071953097 /nfs/dbraw/zinc/95/30/97/1071953097.db2.gz UVWPTSBYYFPDKK-HNNXBMFYSA-N 0 0 470.640 1.304 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(C)=O)c2)C1 ZINC001504934973 1071953157 /nfs/dbraw/zinc/95/31/57/1071953157.db2.gz YNLWQFXYGOXXJL-OZOXKJRCSA-N 0 0 497.600 1.603 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001503637340 1071953138 /nfs/dbraw/zinc/95/31/38/1071953138.db2.gz LBELVYKMPZNXPW-HNNXBMFYSA-N 0 0 472.608 1.778 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)C1 ZINC001504934728 1071953241 /nfs/dbraw/zinc/95/32/41/1071953241.db2.gz YNNPKBYWDHNMRT-NRSPTQNISA-N 0 0 489.642 1.904 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2)C1 ZINC001504934965 1071953272 /nfs/dbraw/zinc/95/32/72/1071953272.db2.gz YNLHABLQFSKZCG-SZVBFZGTSA-N 0 0 458.538 1.784 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 ZINC001503637515 1071953801 /nfs/dbraw/zinc/95/38/01/1071953801.db2.gz MOHBGIURPVOXLH-UHFFFAOYSA-N 0 0 488.589 1.769 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001503637578 1071953895 /nfs/dbraw/zinc/95/38/95/1071953895.db2.gz OMYSQFZOOKLTST-OAHLLOKOSA-N 0 0 458.581 1.314 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(C)c2)CC1 ZINC001504935491 1071957279 /nfs/dbraw/zinc/95/72/79/1071957279.db2.gz HHFUXKQXCGDPAC-UHFFFAOYSA-N 0 0 492.584 1.453 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(=O)NCC(F)F ZINC001503639815 1071957544 /nfs/dbraw/zinc/95/75/44/1071957544.db2.gz QTIVQOJWXWDYBF-CYBMUJFWSA-N 0 0 461.473 1.189 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nnn(C)n2)C1 ZINC001504935600 1071957789 /nfs/dbraw/zinc/95/77/89/1071957789.db2.gz YZEMHKRCVZIVOX-PKOBYXMFSA-N 0 0 467.578 1.003 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001504935522 1071957811 /nfs/dbraw/zinc/95/78/11/1071957811.db2.gz FQINDIFOFCDXSE-IBGZPJMESA-N 0 0 454.575 1.839 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)Br ZINC001503640925 1071958089 /nfs/dbraw/zinc/95/80/89/1071958089.db2.gz VVJAPXGFKWFWHO-UHFFFAOYSA-N 0 0 486.364 1.738 20 0 JDADRN 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ZINC001504935808 1071959279 /nfs/dbraw/zinc/95/92/79/1071959279.db2.gz JTJSVSWXPZXTNC-UHFFFAOYSA-N 0 0 478.619 1.124 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)c2ccccc2F)CC1 ZINC001504935751 1071959295 /nfs/dbraw/zinc/95/92/95/1071959295.db2.gz JTSFXBMGNZIOAV-UHFFFAOYSA-N 0 0 458.538 1.704 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001504935769 1071959338 /nfs/dbraw/zinc/95/93/38/1071959338.db2.gz KPZABHPJQTXBFH-UHFFFAOYSA-N 0 0 467.578 1.167 20 0 JDADRN CN(OC1CCCC1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O ZINC001503642347 1071959263 /nfs/dbraw/zinc/95/92/63/1071959263.db2.gz JLYLLSBAOGSIEP-UHFFFAOYSA-N 0 0 464.596 1.312 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cncn2)CC1 ZINC001504935789 1071959398 /nfs/dbraw/zinc/95/93/98/1071959398.db2.gz IOHOVYPLEBXNFY-UHFFFAOYSA-N 0 0 454.535 1.224 20 0 JDADRN CN(OC1CCCC1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCNS(C)(=O)=O ZINC001503642620 1071959426 /nfs/dbraw/zinc/95/94/26/1071959426.db2.gz 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Cn1cc(N2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(=O)NCC(F)(F)F)CC2)cn1 ZINC001503656659 1071983585 /nfs/dbraw/zinc/98/35/85/1071983585.db2.gz ARQOUJLCUVMGTK-UHFFFAOYSA-N 0 0 480.470 1.747 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001504941014 1071983622 /nfs/dbraw/zinc/98/36/22/1071983622.db2.gz JWIMHLWWBNDKPX-HZPDHXFCSA-N 0 0 475.612 1.492 20 0 JDADRN COCCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCCC2)CC1 ZINC001504939840 1071983747 /nfs/dbraw/zinc/98/37/47/1071983747.db2.gz ZZSOYAXARVPGGT-UHFFFAOYSA-N 0 0 462.620 1.120 20 0 JDADRN COCCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2cscc2C)CC1 ZINC001504939836 1071983826 /nfs/dbraw/zinc/98/38/26/1071983826.db2.gz ZQUVVEXEMGPEJU-UHFFFAOYSA-N 0 0 469.615 1.567 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC(=O)NCC(F)(F)F ZINC001504940876 1071983835 /nfs/dbraw/zinc/98/38/35/1071983835.db2.gz CYPYDQNURMXVKK-CQSZACIVSA-N 0 0 479.500 1.803 20 0 JDADRN Cn1cc(Nc2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001503657038 1071984148 /nfs/dbraw/zinc/98/41/48/1071984148.db2.gz FTXLZSDDOGBEGD-UHFFFAOYSA-N 0 0 482.611 1.809 20 0 JDADRN Cn1cc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)cn1 ZINC001503656968 1071984214 /nfs/dbraw/zinc/98/42/14/1071984214.db2.gz UEWJUHFHYKXCRE-INIZCTEOSA-N 0 0 454.501 1.670 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C ZINC001504941098 1071984280 /nfs/dbraw/zinc/98/42/80/1071984280.db2.gz KOLYCIZYNNQVQN-ZWKOTPCHSA-N 0 0 479.603 1.881 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(Cl)nc1 ZINC001504941140 1071984341 /nfs/dbraw/zinc/98/43/41/1071984341.db2.gz KZUXXRJLOSJVTK-OAHLLOKOSA-N 0 0 487.026 1.959 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN1CCOC[C@H]1C ZINC001504941993 1071984998 /nfs/dbraw/zinc/98/49/98/1071984998.db2.gz HLVWGQOOWSZEGL-MOPGFXCFSA-N 0 0 467.611 1.845 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCCc2cccnc21 ZINC001504941942 1071985072 /nfs/dbraw/zinc/98/50/72/1071985072.db2.gz NZRDRBOSQQWHCC-QUCCMNQESA-N 0 0 472.590 1.812 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN1CCOC[C@@H]1C ZINC001504941994 1071985079 /nfs/dbraw/zinc/98/50/79/1071985079.db2.gz HLVWGQOOWSZEGL-OALUTQOASA-N 0 0 467.611 1.845 20 0 JDADRN Cn1cc(Nc2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cn1 ZINC001503658875 1071986361 /nfs/dbraw/zinc/98/63/61/1071986361.db2.gz AQYLNGNWHOOJEA-DZGCQCFKSA-N 0 0 477.513 1.311 20 0 JDADRN Cn1cc(N2CCN(c3nnc(CC(C)(C)C)n3CCc3cccc(C(N)=O)c3)CC2=O)cn1 ZINC001503658771 1071986431 /nfs/dbraw/zinc/98/64/31/1071986431.db2.gz YBXYYRSBDUXZDC-UHFFFAOYSA-N 0 0 464.574 1.795 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@]1(O)CCO[C@H]1C ZINC001504948503 1071991313 /nfs/dbraw/zinc/99/13/13/1071991313.db2.gz WFKGOHUIZXGRQX-LLGFUMIMSA-N 0 0 454.568 1.664 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(Br)cc2)n1Cc1nnn(C)n1 ZINC001504944285 1071986828 /nfs/dbraw/zinc/98/68/28/1071986828.db2.gz UDVLHZALRMKWCI-ZDUSSCGKSA-N 0 0 465.356 1.973 20 0 JDADRN Cn1cc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cn1 ZINC001503659039 1071986934 /nfs/dbraw/zinc/98/69/34/1071986934.db2.gz RIEDPIBAAORWQJ-KRWDZBQOSA-N 0 0 454.535 1.852 20 0 JDADRN Cn1cc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCC2(F)F)cn1 ZINC001503659300 1071987081 /nfs/dbraw/zinc/98/70/81/1071987081.db2.gz GOHVSJSYSNFXIY-DZGCQCFKSA-N 0 0 459.523 1.914 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC1CCS(=O)(=O)CC1 ZINC001504944675 1071987379 /nfs/dbraw/zinc/98/73/79/1071987379.db2.gz PPLVHLIPDFUCQV-AWEZNQCLSA-N 0 0 475.015 1.850 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001504944730 1071987412 /nfs/dbraw/zinc/98/74/12/1071987412.db2.gz BMVDGTYIGJZABB-DLBZAZTESA-N 0 0 473.578 1.811 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC1CCS(=O)(=O)CC1 ZINC001504944678 1071987434 /nfs/dbraw/zinc/98/74/34/1071987434.db2.gz PPLVHLIPDFUCQV-CQSZACIVSA-N 0 0 475.015 1.850 20 0 JDADRN Cn1cc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)cn1 ZINC001503660255 1071987494 /nfs/dbraw/zinc/98/74/94/1071987494.db2.gz RHERNWDSMXGAKG-GOSISDBHSA-N 0 0 463.539 1.860 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC1CCS(=O)(=O)CC1 ZINC001504948566 1071991447 /nfs/dbraw/zinc/99/14/47/1071991447.db2.gz GDAMGSMELHOXIZ-YJJAZYOBSA-N 0 0 456.609 1.424 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)[C@H](C)c2ccco2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001504945380 1071988020 /nfs/dbraw/zinc/98/80/20/1071988020.db2.gz PEOZZXBHATXFOQ-HZPDHXFCSA-N 0 0 456.565 1.732 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001504945404 1071988067 /nfs/dbraw/zinc/98/80/67/1071988067.db2.gz SIJLLHUAAQHDMN-CABCVRRESA-N 0 0 475.015 1.850 20 0 JDADRN COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCn1c2ccccc2[nH]c1=O ZINC001504944829 1071988084 /nfs/dbraw/zinc/98/80/84/1071988084.db2.gz CKSAVJRGEIPARC-CVEARBPZSA-N 0 0 457.535 1.425 20 0 JDADRN Cn1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1 ZINC001503661126 1071988124 /nfs/dbraw/zinc/98/81/24/1071988124.db2.gz PAXCNZWRHKKZPZ-SFHVURJKSA-N 0 0 470.622 1.869 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)[C@@H](C)c2ccco2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001504945376 1071988090 /nfs/dbraw/zinc/98/80/90/1071988090.db2.gz PEOZZXBHATXFOQ-HOTGVXAUSA-N 0 0 456.565 1.732 20 0 JDADRN Cn1ccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(S(C)(=O)=O)CC2)n1 ZINC001503660565 1071988159 /nfs/dbraw/zinc/98/81/59/1071988159.db2.gz ABSOINBPWJQDJJ-UHFFFAOYSA-N 0 0 492.627 1.338 20 0 JDADRN Cn1ccc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCC2(F)F)n1 ZINC001503664575 1071991560 /nfs/dbraw/zinc/99/15/60/1071991560.db2.gz XLSUASVCWNUBNJ-ZIAGYGMSSA-N 0 0 459.523 1.914 20 0 JDADRN COCCO[C@@H](C)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1CC(=O)N1CCOCC1 ZINC001504945506 1071988528 /nfs/dbraw/zinc/98/85/28/1071988528.db2.gz XYYBCEGGFDXMCE-HNNXBMFYSA-N 0 0 453.490 1.776 20 0 JDADRN Cn1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001503661819 1071988592 /nfs/dbraw/zinc/98/85/92/1071988592.db2.gz YUPSPIBAQYZDHB-CABCVRRESA-N 0 0 465.580 1.065 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001504945745 1071988774 /nfs/dbraw/zinc/98/87/74/1071988774.db2.gz OHANKSXTGRDTQU-SAHWJRBASA-N 0 0 465.595 1.691 20 0 JDADRN Cn1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)n1 ZINC001503661670 1071988767 /nfs/dbraw/zinc/98/87/67/1071988767.db2.gz TUHLLIRWUJGORE-QZTJIDSGSA-N 0 0 450.609 1.992 20 0 JDADRN Cn1ccc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001503662510 1071989189 /nfs/dbraw/zinc/98/91/89/1071989189.db2.gz OYDHFNTXWUKUKY-CQSZACIVSA-N 0 0 479.588 1.107 20 0 JDADRN Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001503662295 1071989231 /nfs/dbraw/zinc/98/92/31/1071989231.db2.gz BCPVINYXWJUKRZ-HOCLYGCPSA-N 0 0 491.540 1.366 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCN1CCc2sccc2C1 ZINC001504946751 1071989256 /nfs/dbraw/zinc/98/92/56/1071989256.db2.gz HCLBJVRUZNJRCE-IAGOWNOFSA-N 0 0 462.620 1.789 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@H]1CCOC[C@H]1C ZINC001504946354 1071989285 /nfs/dbraw/zinc/98/92/85/1071989285.db2.gz PSYXEVBBZSPAOM-SRHPJPHMSA-N 0 0 451.612 1.832 20 0 JDADRN Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001503662294 1071989323 /nfs/dbraw/zinc/98/93/23/1071989323.db2.gz BCPVINYXWJUKRZ-GOEBONIOSA-N 0 0 491.540 1.366 20 0 JDADRN Cn1ccc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)n1 ZINC001503663049 1071989847 /nfs/dbraw/zinc/98/98/47/1071989847.db2.gz DUNUAHIKHCAKEN-QGZVFWFLSA-N 0 0 463.539 1.860 20 0 JDADRN COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCN1CCc2sccc2C1 ZINC001504946753 1071990000 /nfs/dbraw/zinc/99/00/00/1071990000.db2.gz HCLBJVRUZNJRCE-IRXDYDNUSA-N 0 0 462.620 1.789 20 0 JDADRN Cn1ccc(Nc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)n1 ZINC001503663548 1071990248 /nfs/dbraw/zinc/99/02/48/1071990248.db2.gz MUGKSXPWKAAOTC-INIZCTEOSA-N 0 0 465.511 1.306 20 0 JDADRN Cn1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)n1 ZINC001503663641 1071990259 /nfs/dbraw/zinc/99/02/59/1071990259.db2.gz ODKJJLQTHVSGAT-AWEZNQCLSA-N 0 0 458.464 1.228 20 0 JDADRN Cn1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001503663337 1071990313 /nfs/dbraw/zinc/99/03/13/1071990313.db2.gz KYHLWGBLJYFFEL-QGZVFWFLSA-N 0 0 458.567 1.480 20 0 JDADRN Cn1ccc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 ZINC001503663549 1071990370 /nfs/dbraw/zinc/99/03/70/1071990370.db2.gz LZULWQOJZZRNPX-UHFFFAOYSA-N 0 0 494.021 1.958 20 0 JDADRN Cn1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001503663336 1071990398 /nfs/dbraw/zinc/99/03/98/1071990398.db2.gz KYHLWGBLJYFFEL-KRWDZBQOSA-N 0 0 458.567 1.480 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001504947490 1071990513 /nfs/dbraw/zinc/99/05/13/1071990513.db2.gz IYQLBCVYLZILGS-IXDOHACOSA-N 0 0 468.599 1.830 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CC1(C(N)=O)CCCC1 ZINC001504946966 1071990525 /nfs/dbraw/zinc/99/05/25/1071990525.db2.gz RRGXYDBLTQSVIV-GUDVDZBRSA-N 0 0 464.611 1.205 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001504947487 1071990572 /nfs/dbraw/zinc/99/05/72/1071990572.db2.gz IYQLBCVYLZILGS-GVDBMIGSSA-N 0 0 468.599 1.830 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001504947154 1071990581 /nfs/dbraw/zinc/99/05/81/1071990581.db2.gz WLOUQYGWXJVYGN-QZTJIDSGSA-N 0 0 456.609 1.734 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CC1(C(N)=O)CCCC1 ZINC001504946973 1071990643 /nfs/dbraw/zinc/99/06/43/1071990643.db2.gz RRGXYDBLTQSVIV-QRVBRYPASA-N 0 0 464.611 1.205 20 0 JDADRN 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OFRABGLFTVXSQP-GFAJBQDWSA-N 0 0 460.597 1.065 20 0 JDADRN COCCOCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001505050368 1072147557 /nfs/dbraw/zinc/14/75/57/1072147557.db2.gz PVFQPCVNPLSGCA-LJQANCHMSA-N 0 0 459.595 1.080 20 0 JDADRN COCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001505050631 1072147997 /nfs/dbraw/zinc/14/79/97/1072147997.db2.gz AQBOZLZZPOTWQJ-QGZVFWFLSA-N 0 0 469.583 1.865 20 0 JDADRN COCCOCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001505050684 1072148028 /nfs/dbraw/zinc/14/80/28/1072148028.db2.gz BDXUEFFIAJVOPN-XMMPIXPASA-N 0 0 470.574 1.655 20 0 JDADRN COCCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001505050844 1072148451 /nfs/dbraw/zinc/14/84/51/1072148451.db2.gz FNVHAYWKCMPRML-ICSRJNTNSA-N 0 0 450.628 1.519 20 0 JDADRN COCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001505050873 1072148496 /nfs/dbraw/zinc/14/84/96/1072148496.db2.gz FWRSNXZERYBGES-OAQYLSRUSA-N 0 0 457.575 1.668 20 0 JDADRN COCCOCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001505050846 1072148521 /nfs/dbraw/zinc/14/85/21/1072148521.db2.gz FNVHAYWKCMPRML-UYAOXDASSA-N 0 0 450.628 1.519 20 0 JDADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001505050766 1072148539 /nfs/dbraw/zinc/14/85/39/1072148539.db2.gz CXZBYYJVMRFESR-SFHVURJKSA-N 0 0 464.588 1.331 20 0 JDADRN COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001505053694 1072153393 /nfs/dbraw/zinc/15/33/93/1072153393.db2.gz JVLDXVYRPQFBMX-VAMGGRTRSA-N 0 0 479.622 1.687 20 0 JDADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC001505050966 1072149007 /nfs/dbraw/zinc/14/90/07/1072149007.db2.gz IFSFXUBYFBRBLX-AWEZNQCLSA-N 0 0 456.515 1.684 20 0 JDADRN COCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001505051537 1072149584 /nfs/dbraw/zinc/14/95/84/1072149584.db2.gz FPKFOKNQSJIESR-PMACEKPBSA-N 0 0 459.547 1.873 20 0 JDADRN COCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001505051413 1072149604 /nfs/dbraw/zinc/14/96/04/1072149604.db2.gz QSAMNUBEUHDOQR-FQEVSTJZSA-N 0 0 461.538 1.499 20 0 JDADRN COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001505051311 1072149670 /nfs/dbraw/zinc/14/96/70/1072149670.db2.gz CMAFHYHBKOGAPX-IYBDPMFKSA-N 0 0 458.357 1.559 20 0 JDADRN COCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@@H](C)C1 ZINC001505051802 1072150115 /nfs/dbraw/zinc/15/01/15/1072150115.db2.gz IRRIKARIHRZPPM-INIZCTEOSA-N 0 0 469.633 1.800 20 0 JDADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001505051542 1072150163 /nfs/dbraw/zinc/15/01/63/1072150163.db2.gz SJGATKGTIGBHEV-FQEVSTJZSA-N 0 0 477.631 1.787 20 0 JDADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 ZINC001505051660 1072150230 /nfs/dbraw/zinc/15/02/30/1072150230.db2.gz VFWWXTKNIOPWLU-KRWDZBQOSA-N 0 0 450.561 1.415 20 0 JDADRN COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001505051544 1072150289 /nfs/dbraw/zinc/15/02/89/1072150289.db2.gz SJGATKGTIGBHEV-HXUWFJFHSA-N 0 0 477.631 1.787 20 0 JDADRN COCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001505051654 1072150313 /nfs/dbraw/zinc/15/03/13/1072150313.db2.gz VFKCXNGVFFQQNA-FQEVSTJZSA-N 0 0 459.547 1.758 20 0 JDADRN COCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001505052033 1072150713 /nfs/dbraw/zinc/15/07/13/1072150713.db2.gz ZLJPYMRMCMPRBO-QFIPXVFZSA-N 0 0 464.588 1.556 20 0 JDADRN COCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001505051811 1072150723 /nfs/dbraw/zinc/15/07/23/1072150723.db2.gz IWBCZEQQPNIKCQ-ZIAGYGMSSA-N 0 0 456.297 1.813 20 0 JDADRN COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001505052019 1072150764 /nfs/dbraw/zinc/15/07/64/1072150764.db2.gz ZAYXVAPRVAGLMQ-DLBZAZTESA-N 0 0 487.623 1.337 20 0 JDADRN COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001505052163 1072151126 /nfs/dbraw/zinc/15/11/26/1072151126.db2.gz KHLYHPDGXCJJKA-VQTJNVASSA-N 0 0 480.587 1.396 20 0 JDADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001505052045 1072151150 /nfs/dbraw/zinc/15/11/50/1072151150.db2.gz ZZRIPUPXCZUXBQ-IAGOWNOFSA-N 0 0 459.613 1.146 20 0 JDADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001505052047 1072151252 /nfs/dbraw/zinc/15/12/52/1072151252.db2.gz ZZRIPUPXCZUXBQ-SJORKVTESA-N 0 0 459.613 1.146 20 0 JDADRN COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001505052161 1072151257 /nfs/dbraw/zinc/15/12/57/1072151257.db2.gz KHLYHPDGXCJJKA-UXHICEINSA-N 0 0 480.587 1.396 20 0 JDADRN COCCOCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001505052763 1072151632 /nfs/dbraw/zinc/15/16/32/1072151632.db2.gz QFGOZFAZGLCXAT-CRAIPNDOSA-N 0 0 494.390 1.997 20 0 JDADRN COCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001505052643 1072151735 /nfs/dbraw/zinc/15/17/35/1072151735.db2.gz PUNUEOKODGVBRD-UHFFFAOYSA-N 0 0 454.531 1.485 20 0 JDADRN COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001505052485 1072151758 /nfs/dbraw/zinc/15/17/58/1072151758.db2.gz OZMOVRQHRUGOMF-CYBMUJFWSA-N 0 0 455.357 1.411 20 0 JDADRN COCCOCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001505052433 1072151764 /nfs/dbraw/zinc/15/17/64/1072151764.db2.gz KTTDKCOFRGHXNJ-KNQAVFIVSA-N 0 0 462.639 1.663 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 ZINC001505054247 1072153759 /nfs/dbraw/zinc/15/37/59/1072153759.db2.gz CQQRRRLKDJCPPI-SCTDSRPQSA-N 0 0 472.608 1.211 20 0 JDADRN COCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001505053104 1072152183 /nfs/dbraw/zinc/15/21/83/1072152183.db2.gz VQGOGFFNRCBGND-UHFFFAOYSA-N 0 0 491.412 1.170 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@](C)(O)c1ccco1 ZINC001505052879 1072152272 /nfs/dbraw/zinc/15/22/72/1072152272.db2.gz ADEIRUQOYCGAPD-GSCOEGLNSA-N 0 0 470.592 1.761 20 0 JDADRN COCCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001505053309 1072152612 /nfs/dbraw/zinc/15/26/12/1072152612.db2.gz GFTGJMVZZWSNHZ-RDGPPVDQSA-N 0 0 492.621 1.959 20 0 JDADRN COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001505053526 1072152782 /nfs/dbraw/zinc/15/27/82/1072152782.db2.gz IFFXEFQTVSIFIP-QZTJIDSGSA-N 0 0 473.640 1.331 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccccc1-n1ccnc1 ZINC001505056288 1072158047 /nfs/dbraw/zinc/15/80/47/1072158047.db2.gz GTSIKUZYWALREM-MDKPJZGXSA-N 0 0 453.547 1.936 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 ZINC001505055998 1072158090 /nfs/dbraw/zinc/15/80/90/1072158090.db2.gz XNMWZBARFNELPD-QLIIJSOBSA-N 0 0 464.588 1.727 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cnn2ccccc12 ZINC001505056099 1072158131 /nfs/dbraw/zinc/15/81/31/1072158131.db2.gz GBDQQUPNOXNMPP-BXWFABGCSA-N 0 0 462.576 1.567 20 0 JDADRN COCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001505056390 1072158547 /nfs/dbraw/zinc/15/85/47/1072158547.db2.gz WEPXANAUZZWHHI-ZWKOTPCHSA-N 0 0 480.610 1.757 20 0 JDADRN COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001505056271 1072158745 /nfs/dbraw/zinc/15/87/45/1072158745.db2.gz VRJZPOUVLYUMBX-FQEVSTJZSA-N 0 0 497.593 1.833 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001505056823 1072159238 /nfs/dbraw/zinc/15/92/38/1072159238.db2.gz NAPFDWZUVCHSNI-WNHJNPCNSA-N 0 0 471.624 1.130 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 ZINC001505056950 1072159271 /nfs/dbraw/zinc/15/92/71/1072159271.db2.gz NMNPHZYCOVAFMG-LMNJBCLMSA-N 0 0 492.646 1.915 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2scnc2C)n1CCC(=O)N1CCOCC1 ZINC001505057424 1072159772 /nfs/dbraw/zinc/15/97/72/1072159772.db2.gz CAIQFLAJGULZFX-LPHOPBHVSA-N 0 0 464.592 1.652 20 0 JDADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[C@H]1COCCO1 ZINC001505080694 1072205396 /nfs/dbraw/zinc/20/53/96/1072205396.db2.gz INFCEIHNBRMGKC-BJLQDIEVSA-N 0 0 451.568 1.290 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCc1cccc(F)c1 ZINC001505080892 1072205980 /nfs/dbraw/zinc/20/59/80/1072205980.db2.gz UJZZMFHJVRURGA-UGKGYDQZSA-N 0 0 474.581 1.594 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccccc1C ZINC001505080840 1072206076 /nfs/dbraw/zinc/20/60/76/1072206076.db2.gz RWNJZWZNWLXGEE-UNMCSNQZSA-N 0 0 456.591 1.569 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(=O)NCC(F)(F)F ZINC001505081131 1072207817 /nfs/dbraw/zinc/20/78/17/1072207817.db2.gz DNCLJQHJWCYNIH-LZWOXQAQSA-N 0 0 463.501 1.932 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1CCC(=O)NC(C)C ZINC001505082666 1072214778 /nfs/dbraw/zinc/21/47/78/1072214778.db2.gz SLVNMSSQNXVDKK-UGKGYDQZSA-N 0 0 489.621 1.844 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC1(O)CCCC1 ZINC001505081244 1072208094 /nfs/dbraw/zinc/20/80/94/1072208094.db2.gz MPEIYFSLYZOHKZ-ROUUACIJSA-N 0 0 471.624 1.073 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[C@H](OC)C(F)(F)F ZINC001505081403 1072208705 /nfs/dbraw/zinc/20/87/05/1072208705.db2.gz GBPUMNPOYAKINP-AJNGGQMLSA-N 0 0 462.473 1.183 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCCOC1CCOCC1 ZINC001505081613 1072209547 /nfs/dbraw/zinc/20/95/47/1072209547.db2.gz AMCWHLFIJFFTCR-LMNJBCLMSA-N 0 0 465.595 1.645 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1cc(F)cc(F)c1 ZINC001505081625 1072209651 /nfs/dbraw/zinc/20/96/51/1072209651.db2.gz IXQRMHKKYXZPRY-LPHOPBHVSA-N 0 0 485.557 1.605 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC(=O)NCC(F)(F)F ZINC001505081705 1072209787 /nfs/dbraw/zinc/20/97/87/1072209787.db2.gz DYJMXNQCQMAMMS-IVSAIRAKSA-N 0 0 477.484 1.065 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC(=O)NCC(F)F ZINC001505081616 1072209914 /nfs/dbraw/zinc/20/99/14/1072209914.db2.gz CZTNXECLFWZDLB-ZENOOKHLSA-N 0 0 472.518 1.418 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(C)=O)CC2)n1CC(C)(C)N1CCOCC1 ZINC001505081855 1072210377 /nfs/dbraw/zinc/21/03/77/1072210377.db2.gz PHDIZKFMUKPHPA-SFTDATJTSA-N 0 0 478.638 1.465 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001505082556 1072215111 /nfs/dbraw/zinc/21/51/11/1072215111.db2.gz JGLPAEDJHCKMAT-ZVZYQTTQSA-N 0 0 457.535 1.208 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC(C)(C)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001505081714 1072210631 /nfs/dbraw/zinc/21/06/31/1072210631.db2.gz DZNILHVSASYXLA-BBWFWOEESA-N 0 0 477.528 1.880 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1CC(=O)NCC(F)(F)F ZINC001505081709 1072210695 /nfs/dbraw/zinc/21/06/95/1072210695.db2.gz DYJMXNQCQMAMMS-MPTYRVRUSA-N 0 0 477.484 1.065 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCCC(F)(F)F ZINC001505082012 1072211359 /nfs/dbraw/zinc/21/13/59/1072211359.db2.gz LRSMLVAKBHMDJZ-KKUMJFAQSA-N 0 0 469.530 1.815 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)COC ZINC001505081993 1072211426 /nfs/dbraw/zinc/21/14/26/1072211426.db2.gz KZCKFVMMDLYQNH-ULQDDVLXSA-N 0 0 459.613 1.145 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC1(C(=O)N(C)C)CCCC1 ZINC001505082127 1072212118 /nfs/dbraw/zinc/21/21/18/1072212118.db2.gz FSXHUQGMKJLXNU-HOJAQTOUSA-N 0 0 476.622 1.708 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1Cc1cc(OC)ccc1OC ZINC001505082073 1072212387 /nfs/dbraw/zinc/21/23/87/1072212387.db2.gz DMEYKFXWRWKNPZ-UWJYYQICSA-N 0 0 459.547 1.736 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1CCS(C)(=O)=O ZINC001505082605 1072214136 /nfs/dbraw/zinc/21/41/36/1072214136.db2.gz LDXNPLNGJOLQPX-IHPCNDPISA-N 0 0 464.588 1.933 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001505083001 1072215913 /nfs/dbraw/zinc/21/59/13/1072215913.db2.gz BSUBYEBBTMCRMH-SEVLPDGMSA-N 0 0 457.575 1.959 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001505082748 1072215982 /nfs/dbraw/zinc/21/59/82/1072215982.db2.gz MPTZJUKTVNWYBK-VGWMRTNUSA-N 0 0 482.525 1.737 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCNC(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001505082918 1072216062 /nfs/dbraw/zinc/21/60/62/1072216062.db2.gz UTKWPGPECKHPIK-KSSFIOAISA-N 0 0 465.938 1.657 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001505085281 1072222890 /nfs/dbraw/zinc/22/28/90/1072222890.db2.gz RUVPGICJPRRIGD-BBWFWOEESA-N 0 0 499.634 1.683 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1C[C@@](C)(O)C(C)C ZINC001505083257 1072216738 /nfs/dbraw/zinc/21/67/38/1072216738.db2.gz XCSDIWDOCDXUIL-CMCWBKRRSA-N 0 0 478.638 1.991 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001505083451 1072217306 /nfs/dbraw/zinc/21/73/06/1072217306.db2.gz NIZREOXHQBWPKD-WZFXKWPLSA-N 0 0 489.642 1.986 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](c3nccs3)C2)n1CCCNC(C)=O ZINC001505083330 1072217524 /nfs/dbraw/zinc/21/75/24/1072217524.db2.gz PLVOBUZDHVKGJB-ULQDDVLXSA-N 0 0 450.565 1.563 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001505083449 1072217580 /nfs/dbraw/zinc/21/75/80/1072217580.db2.gz NIZREOXHQBWPKD-IPSWQNSPSA-N 0 0 489.642 1.986 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001505083650 1072218184 /nfs/dbraw/zinc/21/81/84/1072218184.db2.gz ZIMAGWFLPPJAQS-XWSJACJDSA-N 0 0 471.624 1.145 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001505083647 1072218281 /nfs/dbraw/zinc/21/82/81/1072218281.db2.gz ZIMAGWFLPPJAQS-HCXYKTFWSA-N 0 0 471.624 1.145 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001505083648 1072218453 /nfs/dbraw/zinc/21/84/53/1072218453.db2.gz ZIMAGWFLPPJAQS-OKYOBFRVSA-N 0 0 471.624 1.145 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001505083683 1072218565 /nfs/dbraw/zinc/21/85/65/1072218565.db2.gz ZTQRKTIIMYCKRP-BURNTYAHSA-N 0 0 451.612 1.974 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001505083983 1072219328 /nfs/dbraw/zinc/21/93/28/1072219328.db2.gz QMSZWHRFPGYGDA-OWSLCNJRSA-N 0 0 486.564 1.025 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1cnnn1C ZINC001505084053 1072219615 /nfs/dbraw/zinc/21/96/15/1072219615.db2.gz RLFMGHVJLUPGJJ-DZKIICNBSA-N 0 0 458.489 1.252 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001505084057 1072219761 /nfs/dbraw/zinc/21/97/61/1072219761.db2.gz RODKHIFXUAPZFW-BJLQDIEVSA-N 0 0 492.621 1.928 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC(=O)NCC(F)F ZINC001505084500 1072220475 /nfs/dbraw/zinc/22/04/75/1072220475.db2.gz SUDYYKVMPFALQZ-XEZPLFJOSA-N 0 0 484.470 1.456 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001505084403 1072220689 /nfs/dbraw/zinc/22/06/89/1072220689.db2.gz FOQDXLBMSVJRLO-WDYCEAGBSA-N 0 0 498.506 1.806 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001505085100 1072222174 /nfs/dbraw/zinc/22/21/74/1072222174.db2.gz XNALUGICCKOFTD-VXKWHMMOSA-N 0 0 484.601 1.615 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001505085426 1072223751 /nfs/dbraw/zinc/22/37/51/1072223751.db2.gz MFKMQSSSVUGPPM-BXWFABGCSA-N 0 0 468.551 1.844 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CC(=O)NC(C)C ZINC001505085321 1072223884 /nfs/dbraw/zinc/22/38/84/1072223884.db2.gz KPTYUVVNPMFTRL-HKUYNNGSSA-N 0 0 483.635 1.464 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001505085544 1072223900 /nfs/dbraw/zinc/22/39/00/1072223900.db2.gz NAMOSFRSDPIPJW-PKOFMYQESA-N 0 0 451.568 1.159 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCCCCS(C)(=O)=O ZINC001505085731 1072224609 /nfs/dbraw/zinc/22/46/09/1072224609.db2.gz AKEYPBTZMSURMZ-XWSJACJDSA-N 0 0 483.635 1.179 20 0 JDADRN CON(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001505089849 1072230402 /nfs/dbraw/zinc/23/04/02/1072230402.db2.gz IMRVLSXGSVQEPK-GOSISDBHSA-N 0 0 464.592 1.289 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC[C@H]2C)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001505085893 1072225243 /nfs/dbraw/zinc/22/52/43/1072225243.db2.gz OSNOCFZFFDZBQX-TWMKSMIVSA-N 0 0 463.501 1.490 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCNC(=O)c3cccc(O)c3)CC[C@H]12 ZINC001505085945 1072225358 /nfs/dbraw/zinc/22/53/58/1072225358.db2.gz CWLCDXBZKJNFPA-XUVXKRRUSA-N 0 0 470.574 1.661 20 0 JDADRN 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Cc1noc([C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C(C)C)n1 ZINC001471625926 1068885839 /nfs/dbraw/zinc/88/58/39/1068885839.db2.gz ICYBJUZQXCYGLE-QLFBSQMISA-N 0 0 457.553 1.503 20 0 JDADRN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001471633412 1068886326 /nfs/dbraw/zinc/88/63/26/1068886326.db2.gz GEVOKZGCQGIYSC-QHCPKHFHSA-N 0 0 452.515 1.955 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC[C@@]3(O)C(=O)Nc4ccccc43)=NO2)CC1 ZINC001471644503 1068886760 /nfs/dbraw/zinc/88/67/60/1068886760.db2.gz SSKOOAWLMGINKO-QHCPKHFHSA-N 0 0 458.515 1.879 20 0 JDADRN COC(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(c3cccc(S(N)(=O)=O)c3)C1)CCC2 ZINC001471640002 1068886772 /nfs/dbraw/zinc/88/67/72/1068886772.db2.gz GZHQDZWOSTZHEX-INIZCTEOSA-N 0 0 457.508 1.453 20 0 JDADRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCc1cc[nH]n1 ZINC001471641061 1068886833 /nfs/dbraw/zinc/88/68/33/1068886833.db2.gz QLJQOHTZVWNYDL-OAHLLOKOSA-N 0 0 457.350 1.064 20 0 JDADRN CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001471646349 1068887353 /nfs/dbraw/zinc/88/73/53/1068887353.db2.gz HVZHPPZJQSEPOC-IBGZPJMESA-N 0 0 453.524 1.248 20 0 JDADRN CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001471646961 1068887396 /nfs/dbraw/zinc/88/73/96/1068887396.db2.gz GLMVTAIHRDGDTK-NSHDSACASA-N 0 0 452.700 1.493 20 0 JDADRN O=C(N[C@H](CO)CC1OCCO1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001471650710 1068887755 /nfs/dbraw/zinc/88/77/55/1068887755.db2.gz GABATJFCZJRCST-BBRMVZONSA-N 0 0 459.312 1.823 20 0 JDADRN O=C(N[C@@H](CO)CC1OCCO1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001471650712 1068887771 /nfs/dbraw/zinc/88/77/71/1068887771.db2.gz GABATJFCZJRCST-CZUORRHYSA-N 0 0 459.312 1.823 20 0 JDADRN O=C(CNC(=O)c1ccccc1I)N[C@@H]1Cc2cccnc2NC1=O ZINC001471655372 1068888211 /nfs/dbraw/zinc/88/82/11/1068888211.db2.gz UIDHOSQSDAJNEH-CYBMUJFWSA-N 0 0 450.236 1.096 20 0 JDADRN COc1cc(I)c(C(=O)N[C@@H]2Cc3cnccc3NC2=O)cc1OC ZINC001471654788 1068888256 /nfs/dbraw/zinc/88/82/56/1068888256.db2.gz ZWJFFWYUUWPPCH-CYBMUJFWSA-N 0 0 453.236 1.997 20 0 JDADRN Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001471660613 1068888621 /nfs/dbraw/zinc/88/86/21/1068888621.db2.gz FEKAKWAOQWSFDR-AWEZNQCLSA-N 0 0 459.977 1.867 20 0 JDADRN O=C(CNC(=O)c1ccccc1I)N[C@H]1Cc2cccnc2NC1=O ZINC001471655379 1068888634 /nfs/dbraw/zinc/88/86/34/1068888634.db2.gz UIDHOSQSDAJNEH-ZDUSSCGKSA-N 0 0 450.236 1.096 20 0 JDADRN CCS(=O)(=O)N[C@H](C)C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001471658698 1068888728 /nfs/dbraw/zinc/88/87/28/1068888728.db2.gz XTPWBPFSJCUDPK-MRXNPFEDSA-N 0 0 455.577 1.325 20 0 JDADRN CC(C)(CNS(N)(=O)=O)NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001471665818 1068889103 /nfs/dbraw/zinc/88/91/03/1068889103.db2.gz ARKGEZMNAFWGAB-UHFFFAOYSA-N 0 0 451.496 1.671 20 0 JDADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O)O[C@@H](C)C2 ZINC001471673311 1068890198 /nfs/dbraw/zinc/89/01/98/1068890198.db2.gz FZSAUOVHYAXSHR-AULZFFKYSA-N 0 0 451.541 1.605 20 0 JDADRN COC(=O)[C@@]1(CNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C[C@@H]1S(C)(=O)=O ZINC001471673426 1068890531 /nfs/dbraw/zinc/89/05/31/1068890531.db2.gz ICSLIGRCQUUJIQ-GAJHUEQPSA-N 0 0 472.519 1.309 20 0 JDADRN COC(=O)[C@@]1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@@H]1S(C)(=O)=O ZINC001471673597 1068890588 /nfs/dbraw/zinc/89/05/88/1068890588.db2.gz MPRQHBXYSDPFOK-SUMWQHHRSA-N 0 0 476.349 1.053 20 0 JDADRN COC(=O)[C@@]1(CNC(=O)[C@H](C)SCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1S(C)(=O)=O ZINC001471673805 1068890604 /nfs/dbraw/zinc/89/06/04/1068890604.db2.gz SCHOIEXFDCXCOP-NXPJVHOHSA-N 0 0 453.542 1.050 20 0 JDADRN COC(=O)[C@@]1(CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H]1S(C)(=O)=O ZINC001471673654 1068890627 /nfs/dbraw/zinc/89/06/27/1068890627.db2.gz NIFYZQVTRBZWCX-PGRDOPGGSA-N 0 0 460.508 1.301 20 0 JDADRN COC1(c2cnnn2C)CN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC001471676369 1068891610 /nfs/dbraw/zinc/89/16/10/1068891610.db2.gz LOHPTYQYWAEGHG-UHFFFAOYSA-N 0 0 455.540 1.946 20 0 JDADRN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001471679254 1068891946 /nfs/dbraw/zinc/89/19/46/1068891946.db2.gz SSFMCTFVHIHICM-VFNWGFHPSA-N 0 0 453.561 1.835 20 0 JDADRN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001471679255 1068892001 /nfs/dbraw/zinc/89/20/01/1068892001.db2.gz SSFMCTFVHIHICM-YCRPNKLZSA-N 0 0 453.561 1.835 20 0 JDADRN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001471679252 1068892036 /nfs/dbraw/zinc/89/20/36/1068892036.db2.gz SSFMCTFVHIHICM-BTYIYWSLSA-N 0 0 453.561 1.835 20 0 JDADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)CNc1ccc(S(N)(=O)=O)cc1F)C2 ZINC001471681104 1068892465 /nfs/dbraw/zinc/89/24/65/1068892465.db2.gz MHQHYVJCVHFJKG-UHFFFAOYSA-N 0 0 451.476 1.265 20 0 JDADRN COCCCS(=O)(=O)NCC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001471688182 1068892504 /nfs/dbraw/zinc/89/25/04/1068892504.db2.gz WGJODQQJDTXBIG-SFHVURJKSA-N 0 0 455.577 1.421 20 0 JDADRN CCN1C(=O)CO[C@H](C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)[C@H]1c1nccn1C ZINC001471681297 1068892522 /nfs/dbraw/zinc/89/25/22/1068892522.db2.gz PTWJOVWSCSRKIL-PMACEKPBSA-N 0 0 456.499 1.089 20 0 JDADRN CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001546188458 1068892951 /nfs/dbraw/zinc/89/29/51/1068892951.db2.gz APMHHBLTKFCVTR-UHFFFAOYSA-N 0 0 462.620 1.799 20 0 JDADRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCCn2ccc(C(F)(F)F)n2)C1 ZINC001471699609 1068893007 /nfs/dbraw/zinc/89/30/07/1068893007.db2.gz KXGWPEZMRACAGO-LBPRGKRZSA-N 0 0 454.471 1.442 20 0 JDADRN COCCN1C(=O)c2ccc(C(=O)NC[C@H](CO)c3ccc(Cl)cc3)cc2S1(=O)=O ZINC001471695880 1068893017 /nfs/dbraw/zinc/89/30/17/1068893017.db2.gz WUXOTNBAXDQITL-OAHLLOKOSA-N 0 0 452.916 1.637 20 0 JDADRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](O)Cc2cccc(Cl)c2)C1 ZINC001471694753 1068893041 /nfs/dbraw/zinc/89/30/41/1068893041.db2.gz OGAMZAIQLCRICD-FUHWJXTLSA-N 0 0 454.980 1.800 20 0 JDADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001471710669 1068893947 /nfs/dbraw/zinc/89/39/47/1068893947.db2.gz FQNZCMPYMPJUTP-ZIAGYGMSSA-N 0 0 455.476 1.706 20 0 JDADRN CONC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC001471715797 1068894303 /nfs/dbraw/zinc/89/43/03/1068894303.db2.gz OPMCJPGCFPMNQP-OAHLLOKOSA-N 0 0 459.952 1.327 20 0 JDADRN CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCCO4)CCO2)O1 ZINC001471716362 1068894306 /nfs/dbraw/zinc/89/43/06/1068894306.db2.gz SMXCUXFRZCDUCU-OALUTQOASA-N 0 0 455.529 1.391 20 0 JDADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1 ZINC001471715151 1068894342 /nfs/dbraw/zinc/89/43/42/1068894342.db2.gz FCPHEROTGYBFKZ-FHWLQOOXSA-N 0 0 450.557 1.979 20 0 JDADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@H]([C@@H]3COC(C)(C)O3)C1)C2=O ZINC001471716402 1068894408 /nfs/dbraw/zinc/89/44/08/1068894408.db2.gz TYGNVVNIEXUUKT-LLUXXFGUSA-N 0 0 451.564 1.892 20 0 JDADRN CC[C@H]1COCCN1CCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC001471720962 1068894808 /nfs/dbraw/zinc/89/48/08/1068894808.db2.gz CAJFGIUCTNBZCL-JTQLQIEISA-N 0 0 454.774 1.591 20 0 JDADRN CCOC(=O)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC12COC2 ZINC001471719039 1068894875 /nfs/dbraw/zinc/89/48/75/1068894875.db2.gz BACPVCWEQUFFBW-FQEVSTJZSA-N 0 0 458.536 1.817 20 0 JDADRN CCOC(=O)[C@H]1CN(C(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)CC12COC2 ZINC001471719423 1068894997 /nfs/dbraw/zinc/89/49/97/1068894997.db2.gz GUXHXGBXRATADZ-QZTJIDSGSA-N 0 0 450.557 1.341 20 0 JDADRN C[C@]12CN(C(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001471724538 1068895356 /nfs/dbraw/zinc/89/53/56/1068895356.db2.gz KFWYMRSSKYPYEY-KDURUIRLSA-N 0 0 455.533 1.851 20 0 JDADRN CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC001471723981 1068895371 /nfs/dbraw/zinc/89/53/71/1068895371.db2.gz HBNHLMJHHWSRQK-VYXDICFBSA-N 0 0 457.637 1.495 20 0 JDADRN CCN(CC)C(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC001471726657 1068895719 /nfs/dbraw/zinc/89/57/19/1068895719.db2.gz XFYODELDBJYGFP-SFHVURJKSA-N 0 0 453.605 1.502 20 0 JDADRN C[S@](=N)(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 ZINC001471727070 1068895729 /nfs/dbraw/zinc/89/57/29/1068895729.db2.gz FRXAOSKOLGMELF-HSZRJFAPSA-N 0 0 459.775 1.099 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC001471728867 1068896145 /nfs/dbraw/zinc/89/61/45/1068896145.db2.gz LDSSUERYKMGZNI-QGZVFWFLSA-N 0 0 458.625 1.978 20 0 JDADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN([S@](C)(=N)=O)CC3)ccn2)CC1 ZINC001471729279 1068896186 /nfs/dbraw/zinc/89/61/86/1068896186.db2.gz TYWGTTYGCMFSDV-HKBQPEDESA-N 0 0 452.581 1.488 20 0 JDADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)C2=O ZINC001471731033 1068896196 /nfs/dbraw/zinc/89/61/96/1068896196.db2.gz WZTAUFQDICAFBZ-FQWCMUAHSA-N 0 0 456.609 1.301 20 0 JDADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)(c2ccccc2)C1 ZINC001471729103 1068896212 /nfs/dbraw/zinc/89/62/12/1068896212.db2.gz MSANRPPICYFZTR-JTSKRJEESA-N 0 0 451.589 1.963 20 0 JDADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN([S@@](C)(=N)=O)CC3)ccn2)CC1 ZINC001471729291 1068896239 /nfs/dbraw/zinc/89/62/39/1068896239.db2.gz TYWGTTYGCMFSDV-WJOKGBTCSA-N 0 0 452.581 1.488 20 0 JDADRN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001471735971 1068897088 /nfs/dbraw/zinc/89/70/88/1068897088.db2.gz JMWFSBYHUFLSOT-IEBWSBKVSA-N 0 0 452.596 1.951 20 0 JDADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)C[C@]2(C)C1 ZINC001471739739 1068897489 /nfs/dbraw/zinc/89/74/89/1068897489.db2.gz PSOKTQOMPGXWLA-HTAPYJJXSA-N 0 0 452.573 1.711 20 0 JDADRN COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 ZINC001471739022 1068897537 /nfs/dbraw/zinc/89/75/37/1068897537.db2.gz TXDBVIDGBOQMBB-HTAPYJJXSA-N 0 0 467.588 1.940 20 0 JDADRN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1 ZINC001471746963 1068898051 /nfs/dbraw/zinc/89/80/51/1068898051.db2.gz OXFYZTQBCVENLP-AABGKKOBSA-N 0 0 451.589 1.050 20 0 JDADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 ZINC001471745992 1068898112 /nfs/dbraw/zinc/89/81/12/1068898112.db2.gz JQRMZMGMSYUTNS-KFWWJZLASA-N 0 0 457.980 1.520 20 0 JDADRN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001471749065 1068898563 /nfs/dbraw/zinc/89/85/63/1068898563.db2.gz LQULSKNOBQJFRJ-NRFANRHFSA-N 0 0 455.577 1.670 20 0 JDADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001471747498 1068898608 /nfs/dbraw/zinc/89/86/08/1068898608.db2.gz WABNCRIDWREJDZ-HCXYKTFWSA-N 0 0 455.596 1.963 20 0 JDADRN CN1CCn2nc(C(=O)NC[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)cc2S1(=O)=O ZINC001471751886 1068898874 /nfs/dbraw/zinc/89/88/74/1068898874.db2.gz AJZKBWWGUNMFMW-FOIQADDNSA-N 0 0 453.565 1.427 20 0 JDADRN 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CCCOc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H]2COCCO2)cc1OC ZINC001501241930 1069475212 /nfs/dbraw/zinc/47/52/12/1069475212.db2.gz ZHDVEVHADZPAMI-WOJBJXKFSA-N 0 0 489.573 1.499 20 0 JDADRN CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NC(C)=O)CC2)cn1 ZINC001501243833 1069475328 /nfs/dbraw/zinc/47/53/28/1069475328.db2.gz KHEWGRSZEPUVGT-UHFFFAOYSA-N 0 0 455.563 1.851 20 0 JDADRN CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001501244120 1069475338 /nfs/dbraw/zinc/47/53/38/1069475338.db2.gz OPYCBIGHIUJEHZ-QGZVFWFLSA-N 0 0 462.576 1.370 20 0 JDADRN CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3cccc(Br)n3)C2)ccn1 ZINC001475477526 1069475280 /nfs/dbraw/zinc/47/52/80/1069475280.db2.gz BMBCVXTXJVIMSZ-CYBMUJFWSA-N 0 0 455.334 1.831 20 0 JDADRN CC[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1)C(OC)OC ZINC001475477091 1069475300 /nfs/dbraw/zinc/47/53/00/1069475300.db2.gz NBGPGMOXRXGHRS-LBPRGKRZSA-N 0 0 457.286 1.754 20 0 JDADRN CCCOc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCC(=O)NC)cc1OC 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CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](COC)C2)cc1OC ZINC001501263083 1069479300 /nfs/dbraw/zinc/47/93/00/1069479300.db2.gz ZVWRDVUCWQFMCM-OALUTQOASA-N 0 0 494.614 1.878 20 0 JDADRN CCOC(=O)[C@@H]1c2ccoc2CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC001475496415 1069481114 /nfs/dbraw/zinc/48/11/14/1069481114.db2.gz KRSNDYVUJUINBQ-SFHVURJKSA-N 0 0 454.526 1.572 20 0 JDADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(n3nncc3I)CC2)C1 ZINC001475497924 1069481139 /nfs/dbraw/zinc/48/11/39/1069481139.db2.gz WZKJXJWGPGAQPJ-TXEJJXNPSA-N 0 0 453.350 1.742 20 0 JDADRN CCCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)cn1 ZINC001501271055 1069479778 /nfs/dbraw/zinc/47/97/78/1069479778.db2.gz BESPAMTZAATENK-BJLQDIEVSA-N 0 0 458.563 1.936 20 0 JDADRN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1OC ZINC001501267922 1069479836 /nfs/dbraw/zinc/47/98/36/1069479836.db2.gz DHFCCJUBMANFIW-SFHVURJKSA-N 0 0 491.614 1.870 20 0 JDADRN 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/nfs/dbraw/zinc/82/86/23/1069828623.db2.gz UHQIIHDIPOSHGT-KRWDZBQOSA-N 0 0 481.523 1.560 20 0 JDADRN CCN(C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)NC)C1)CC(F)(F)F ZINC001502146536 1069828660 /nfs/dbraw/zinc/82/86/60/1069828660.db2.gz SKKHBGOZQGSIQG-CQSZACIVSA-N 0 0 454.563 1.835 20 0 JDADRN NS(=O)(=O)c1ccc(CNC(=O)N(CCCN2CCOCC2)Cc2ccncc2)s1 ZINC001477481241 1069826566 /nfs/dbraw/zinc/82/65/66/1069826566.db2.gz HBCXPOOEYDMSAJ-UHFFFAOYSA-N 0 0 453.590 1.225 20 0 JDADRN COc1cc(CN2CC[C@@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)cc(OC)c1 ZINC001477482241 1069826591 /nfs/dbraw/zinc/82/65/91/1069826591.db2.gz ZQMVROWVCIGDKT-CQSZACIVSA-N 0 0 454.574 1.486 20 0 JDADRN COC(=O)c1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)oc1C ZINC001477482268 1069826618 /nfs/dbraw/zinc/82/66/18/1069826618.db2.gz BQBYFWZVQYLBTG-CVEARBPZSA-N 0 0 471.532 1.303 20 0 JDADRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)C1 ZINC001477482752 1069826662 /nfs/dbraw/zinc/82/66/62/1069826662.db2.gz VXEPTFQPGAFRTH-LJQANCHMSA-N 0 0 454.593 1.863 20 0 JDADRN CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 ZINC001502133939 1069826761 /nfs/dbraw/zinc/82/67/61/1069826761.db2.gz LWIXWJRKUWHYQX-MSOLQXFVSA-N 0 0 453.609 1.588 20 0 JDADRN CCN(C[C@H]1CCCO1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 ZINC001502133752 1069826778 /nfs/dbraw/zinc/82/67/78/1069826778.db2.gz JEPSZFOWVXXUPH-QZTJIDSGSA-N 0 0 484.648 1.624 20 0 JDADRN CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 ZINC001502133754 1069826904 /nfs/dbraw/zinc/82/69/04/1069826904.db2.gz JEPSZFOWVXXUPH-ZWKOTPCHSA-N 0 0 484.648 1.624 20 0 JDADRN COc1ccc(S(=O)(=O)N2CCCN(C(=O)N[C@H](C)c3nnc4ccccn43)CC2)cc1 ZINC001477483458 1069826959 /nfs/dbraw/zinc/82/69/59/1069826959.db2.gz QJNWKLSEOAMSNT-MRXNPFEDSA-N 0 0 458.544 1.905 20 0 JDADRN C[C@@H](Cn1ccnc1)NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC001477498308 1069827218 /nfs/dbraw/zinc/82/72/18/1069827218.db2.gz BQEWTSOXYGOVSV-HNNXBMFYSA-N 0 0 450.337 1.967 20 0 JDADRN COc1ccc(S(=O)(=O)N2CCC(NC(=O)NCCC(=O)OC(C)C)CC2)cc1OC ZINC001477494380 1069827248 /nfs/dbraw/zinc/82/72/48/1069827248.db2.gz PRJBXGXHOOPHCW-UHFFFAOYSA-N 0 0 457.549 1.498 20 0 JDADRN Cn1ccnc1[C@H](NC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC001477493829 1069827432 /nfs/dbraw/zinc/82/74/32/1069827432.db2.gz XSJUHUSDWNUXFE-GOSISDBHSA-N 0 0 453.996 1.971 20 0 JDADRN CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001502134655 1069827537 /nfs/dbraw/zinc/82/75/37/1069827537.db2.gz VSVSXLAUERJCMK-PMACEKPBSA-N 0 0 475.615 1.936 20 0 JDADRN CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 ZINC001502134295 1069827563 /nfs/dbraw/zinc/82/75/63/1069827563.db2.gz QIMQBFMGPNHCQU-IRXDYDNUSA-N 0 0 460.622 1.010 20 0 JDADRN CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 ZINC001502134294 1069827609 /nfs/dbraw/zinc/82/76/09/1069827609.db2.gz QIMQBFMGPNHCQU-IAGOWNOFSA-N 0 0 460.622 1.010 20 0 JDADRN C[C@H](Cn1ccnc1)NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC001477498309 1069827744 /nfs/dbraw/zinc/82/77/44/1069827744.db2.gz BQEWTSOXYGOVSV-OAHLLOKOSA-N 0 0 450.337 1.967 20 0 JDADRN CCN(C[C@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 ZINC001502134293 1069827663 /nfs/dbraw/zinc/82/76/63/1069827663.db2.gz QIMQBFMGPNHCQU-DLBZAZTESA-N 0 0 460.622 1.010 20 0 JDADRN CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 ZINC001502135110 1069827990 /nfs/dbraw/zinc/82/79/90/1069827990.db2.gz YDXBJSKPHQDOSK-QKLQHJQFSA-N 0 0 473.665 1.902 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCO[C@@H]2C)C1)CC(F)(F)F ZINC001502146083 1069828731 /nfs/dbraw/zinc/82/87/31/1069828731.db2.gz HFAHNANCDCKAGW-WWMYMODYSA-N 0 0 488.555 1.765 20 0 JDADRN CC1(C)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC[S@@]1=O ZINC001477512426 1069828900 /nfs/dbraw/zinc/82/89/00/1069828900.db2.gz LIGBCHMHVCYNHT-OKXSDPAFSA-N 0 0 451.589 1.803 20 0 JDADRN CC[C@@H](NC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccccc1OCC(=O)NC ZINC001477509570 1069828069 /nfs/dbraw/zinc/82/80/69/1069828069.db2.gz BDBNYUIKLYZJDL-GOSISDBHSA-N 0 0 454.593 1.071 20 0 JDADRN COc1ccccc1[C@H](CNC(=O)N1CCO[C@H](CNC(C)=O)C1)NC(=O)OC(C)(C)C ZINC001477510507 1069828171 /nfs/dbraw/zinc/82/81/71/1069828171.db2.gz VQGGTPUIARPUGV-AEFFLSMTSA-N 0 0 450.536 1.808 20 0 JDADRN COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](CNC(C)=O)C1)NC(=O)OC(C)(C)C ZINC001477510510 1069828260 /nfs/dbraw/zinc/82/82/60/1069828260.db2.gz VQGGTPUIARPUGV-WMZOPIPTSA-N 0 0 450.536 1.808 20 0 JDADRN CCN(CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC1)C(=O)OC(C)(C)C ZINC001502150723 1069828956 /nfs/dbraw/zinc/82/89/56/1069828956.db2.gz FBKOUUXLITUPIA-QGZVFWFLSA-N 0 0 477.610 1.791 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nncn2C)C1)CC(F)(F)F ZINC001502146801 1069829097 /nfs/dbraw/zinc/82/90/97/1069829097.db2.gz ZOQFJVSTMOBUEZ-HNNXBMFYSA-N 0 0 492.510 1.813 20 0 JDADRN CCc1ccccc1NC(=O)CN1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCOC2)CC1 ZINC001546277836 1069829118 /nfs/dbraw/zinc/82/91/18/1069829118.db2.gz NYQKUUKSSRMLMB-RUZDIDTESA-N 0 0 470.618 1.951 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC001502150751 1069829150 /nfs/dbraw/zinc/82/91/50/1069829150.db2.gz FMKIZUAIEWFDHC-HNNXBMFYSA-N 0 0 456.517 1.867 20 0 JDADRN Cn1cc(N2CC[C@H](NC(=O)NCc3cccc(NC(=O)CCN4CCOCC4)c3)C2)cn1 ZINC001477514726 1069829171 /nfs/dbraw/zinc/82/91/71/1069829171.db2.gz SRGNYBAJNRJBQT-FQEVSTJZSA-N 0 0 455.563 1.159 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nnn(C)n2)C1)CC(F)(F)F ZINC001502151264 1069829337 /nfs/dbraw/zinc/82/93/37/1069829337.db2.gz NRODRWGXTSBMEH-GJZGRUSLSA-N 0 0 457.505 1.454 20 0 JDADRN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC001477556541 1069833186 /nfs/dbraw/zinc/83/31/86/1069833186.db2.gz KTFOMWLNIIZHRH-IUODEOHRSA-N 0 0 457.325 1.526 20 0 JDADRN CCN(C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nnn(C)n2)C1)CC(F)(F)F ZINC001502151265 1069829428 /nfs/dbraw/zinc/82/94/28/1069829428.db2.gz NRODRWGXTSBMEH-HUUCEWRRSA-N 0 0 457.505 1.454 20 0 JDADRN C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC001477517180 1069829482 /nfs/dbraw/zinc/82/94/82/1069829482.db2.gz QFRQXOBCLHEJCX-JTQLQIEISA-N 0 0 450.355 1.908 20 0 JDADRN O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC001477514875 1069829627 /nfs/dbraw/zinc/82/96/27/1069829627.db2.gz VEUSMWACEDJFTQ-MJGOQNOKSA-N 0 0 458.481 1.945 20 0 JDADRN O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC001477514876 1069829659 /nfs/dbraw/zinc/82/96/59/1069829659.db2.gz VEUSMWACEDJFTQ-PKOBYXMFSA-N 0 0 458.481 1.945 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCOC2)C1)CC(F)(F)F ZINC001502151923 1069829685 /nfs/dbraw/zinc/82/96/85/1069829685.db2.gz UTCCGBSQJVAWEK-DOXZYTNZSA-N 0 0 460.501 1.091 20 0 JDADRN CCN(C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(C)c2)C1)CC(F)(F)F ZINC001502151715 1069829796 /nfs/dbraw/zinc/82/97/96/1069829796.db2.gz SCNRKUCPNNAKOP-GDBMZVCRSA-N 0 0 454.501 1.722 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[S@](=O)CC)C1)CC(F)(F)F ZINC001502151328 1069829836 /nfs/dbraw/zinc/82/98/36/1069829836.db2.gz PEJDLWHQVUCJCI-NEEXFPHGSA-N 0 0 464.558 1.708 20 0 JDADRN CCN(C[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)C1)CC(F)(F)F ZINC001502152141 1069829843 /nfs/dbraw/zinc/82/98/43/1069829843.db2.gz XRWNBKNCHLBCFX-CYBMUJFWSA-N 0 0 476.454 1.827 20 0 JDADRN COc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(OC)c1 ZINC001477518810 1069830005 /nfs/dbraw/zinc/83/00/05/1069830005.db2.gz ROLIFZVINWODER-GOSISDBHSA-N 0 0 456.547 1.799 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(=O)NC)C1)CC(F)(F)F ZINC001502154253 1069830019 /nfs/dbraw/zinc/83/00/19/1069830019.db2.gz VSCJDCIIJFYHDA-INIZCTEOSA-N 0 0 487.571 1.883 20 0 JDADRN CCN(C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncn(C)n2)C1)CC(F)(F)F ZINC001502154305 1069830047 /nfs/dbraw/zinc/83/00/47/1069830047.db2.gz XDNJXVSTDCQAMH-HUUCEWRRSA-N 0 0 490.556 1.068 20 0 JDADRN CCN(C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2COCCO2)C1)CC(F)(F)F ZINC001502153853 1069830091 /nfs/dbraw/zinc/83/00/91/1069830091.db2.gz NKRUTAXVFPJWPF-DLBZAZTESA-N 0 0 474.528 1.526 20 0 JDADRN CCN(CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1)S(C)(=O)=O ZINC001502179711 1069833306 /nfs/dbraw/zinc/83/33/06/1069833306.db2.gz QBKWBXAUCZMUGZ-BZSNNMDCSA-N 0 0 490.696 1.576 20 0 JDADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NCc3ncc4c(n3)CCOC4)cc2)C1 ZINC001477530194 1069830263 /nfs/dbraw/zinc/83/02/63/1069830263.db2.gz FMVBOLPJCJPZIL-INIZCTEOSA-N 0 0 459.572 1.969 20 0 JDADRN CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC001477525433 1069830326 /nfs/dbraw/zinc/83/03/26/1069830326.db2.gz FSVQTQYTQYKJPS-WJOKGBTCSA-N 0 0 451.589 1.505 20 0 JDADRN 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C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001493183405 1070242211 /nfs/dbraw/zinc/24/22/11/1070242211.db2.gz HPGJQHJBWWXVOE-WHSLLNHNSA-N 0 0 453.609 1.178 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O ZINC001493182602 1070242305 /nfs/dbraw/zinc/24/23/05/1070242305.db2.gz FEQKGVLJIGAVTA-HZPDHXFCSA-N 0 0 466.583 1.414 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001493183406 1070242391 /nfs/dbraw/zinc/24/23/91/1070242391.db2.gz HPGJQHJBWWXVOE-XFQAVAEZSA-N 0 0 453.609 1.178 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001493183404 1070242659 /nfs/dbraw/zinc/24/26/59/1070242659.db2.gz HPGJQHJBWWXVOE-VWKPWSFCSA-N 0 0 453.609 1.178 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001493182892 1070242850 /nfs/dbraw/zinc/24/28/50/1070242850.db2.gz FRMBLGAVKAYGLM-CQSZACIVSA-N 0 0 475.479 1.852 20 0 JDADRN C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O ZINC001493182603 1070242943 /nfs/dbraw/zinc/24/29/43/1070242943.db2.gz FEQKGVLJIGAVTA-JKSUJKDBSA-N 0 0 466.583 1.414 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001493186585 1070246264 /nfs/dbraw/zinc/24/62/64/1070246264.db2.gz SROSTOFQDUVNTB-ZIAGYGMSSA-N 0 0 450.565 1.181 20 0 JDADRN C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 ZINC001493186677 1070246575 /nfs/dbraw/zinc/24/65/75/1070246575.db2.gz TVWYAIULMGQRJS-DLBZAZTESA-N 0 0 472.594 1.841 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001493187854 1070247227 /nfs/dbraw/zinc/24/72/27/1070247227.db2.gz XYJWADUYGMUKIG-STXHMFSFSA-N 0 0 453.465 1.899 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001493187853 1070247318 /nfs/dbraw/zinc/24/73/18/1070247318.db2.gz XYJWADUYGMUKIG-SIFCLUCFSA-N 0 0 453.465 1.899 20 0 JDADRN C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCOCC1 ZINC001493190359 1070248403 /nfs/dbraw/zinc/24/84/03/1070248403.db2.gz AVBNNPHIBSTJSM-IPMKNSEASA-N 0 0 462.639 1.974 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001493184012 1070243912 /nfs/dbraw/zinc/24/39/12/1070243912.db2.gz KLEVBWJNTRIWIH-MRXNPFEDSA-N 0 0 455.563 1.798 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O ZINC001493183500 1070244028 /nfs/dbraw/zinc/24/40/28/1070244028.db2.gz IKLCYGPSZLWACR-OAHLLOKOSA-N 0 0 469.995 1.250 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCn1cc(Br)cn1 ZINC001493186057 1070244787 /nfs/dbraw/zinc/24/47/87/1070244787.db2.gz RFNWLLCORODYKL-CQSZACIVSA-N 0 0 459.352 1.590 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001493186090 1070245645 /nfs/dbraw/zinc/24/56/45/1070245645.db2.gz RGZNSKQKUASJCP-ZBFHGGJFSA-N 0 0 492.568 1.121 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1CCCCCS(C)(=O)=O ZINC001493192807 1070251693 /nfs/dbraw/zinc/25/16/93/1070251693.db2.gz NMTRCKYZNVHUCM-MRXNPFEDSA-N 0 0 467.567 1.878 20 0 JDADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)OC(C)(C)C ZINC001493193312 1070252153 /nfs/dbraw/zinc/25/21/53/1070252153.db2.gz QUTYHWJPPPVJRH-OAHLLOKOSA-N 0 0 491.618 1.851 20 0 JDADRN C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001493193340 1070252191 /nfs/dbraw/zinc/25/21/91/1070252191.db2.gz RELYXKBCNZQRJC-BSDSXHPESA-N 0 0 482.651 1.145 20 0 JDADRN C[C@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CC(=O)NCC(F)(F)F ZINC001493194100 1070253288 /nfs/dbraw/zinc/25/32/88/1070253288.db2.gz VDCOSNDRVLAYMB-HNNXBMFYSA-N 0 0 452.481 1.799 20 0 JDADRN C[C@H]1c2cc(F)cc(F)c2CCN1c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O ZINC001493197763 1070254678 /nfs/dbraw/zinc/25/46/78/1070254678.db2.gz HHVOTMOPUOHZJO-ZDUSSCGKSA-N 0 0 453.515 1.961 20 0 JDADRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3COCCO3)CC2)C1 ZINC001493200492 1070255021 /nfs/dbraw/zinc/25/50/21/1070255021.db2.gz DNKLCVGWGHYIAL-NJDAHSKKSA-N 0 0 476.666 1.909 20 0 JDADRN CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493200765 1070255240 /nfs/dbraw/zinc/25/52/40/1070255240.db2.gz GARSCTGUAZDANT-BGYRXZFFSA-N 0 0 482.633 1.491 20 0 JDADRN C[C@@H]1c2ccccc2CN1c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O ZINC001493201059 1070255424 /nfs/dbraw/zinc/25/54/24/1070255424.db2.gz GFWDBVINMHLWDP-CQSZACIVSA-N 0 0 460.585 1.900 20 0 JDADRN C[C@H]1c2c(F)cccc2CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCCO ZINC001493201485 1070256561 /nfs/dbraw/zinc/25/65/61/1070256561.db2.gz VQNBVLMXCHWIFK-LPHOPBHVSA-N 0 0 497.593 1.273 20 0 JDADRN CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001493203156 1070257369 /nfs/dbraw/zinc/25/73/69/1070257369.db2.gz LBEVLQHPZCQSPA-WOJBJXKFSA-N 0 0 473.666 1.944 20 0 JDADRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nnc(-c4ccccn4)n3CC(=O)N(C)C)CC2)C1 ZINC001493207056 1070260343 /nfs/dbraw/zinc/26/03/43/1070260343.db2.gz ZHMODEFELMHCDV-OALUTQOASA-N 0 0 468.606 1.055 20 0 JDADRN C[C@@H]1C[C@H](C)CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001493215389 1070261890 /nfs/dbraw/zinc/26/18/90/1070261890.db2.gz DJMKOCKBGAKYSB-CALCHBBNSA-N 0 0 460.604 1.887 20 0 JDADRN C[C@@H]1C[C@@H](C)CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001493218507 1070262528 /nfs/dbraw/zinc/26/25/28/1070262528.db2.gz MNCFGUFYCDTBBK-HZPDHXFCSA-N 0 0 462.576 1.347 20 0 JDADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001493221065 1070264240 /nfs/dbraw/zinc/26/42/40/1070264240.db2.gz WGAZCAUBZQSMTP-GFEQUFNTSA-N 0 0 496.657 1.717 20 0 JDADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001493221068 1070264277 /nfs/dbraw/zinc/26/42/77/1070264277.db2.gz WGAZCAUBZQSMTP-QQXKLLMISA-N 0 0 496.657 1.717 20 0 JDADRN C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001493233352 1070264390 /nfs/dbraw/zinc/26/43/90/1070264390.db2.gz STUSWQTZUMYTHA-HOTGVXAUSA-N 0 0 459.580 1.342 20 0 JDADRN C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001493243063 1070264852 /nfs/dbraw/zinc/26/48/52/1070264852.db2.gz DXXGDGSWPNGLNP-XDNAFOTISA-N 0 0 489.664 1.061 20 0 JDADRN C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001493243064 1070264921 /nfs/dbraw/zinc/26/49/21/1070264921.db2.gz DXXGDGSWPNGLNP-XMTFNYHQSA-N 0 0 489.664 1.061 20 0 JDADRN C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)C1 ZINC001493243882 1070265131 /nfs/dbraw/zinc/26/51/31/1070265131.db2.gz IURRUGSBNLTKRB-GUDVDZBRSA-N 0 0 484.667 1.204 20 0 JDADRN C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001493244381 1070266022 /nfs/dbraw/zinc/26/60/22/1070266022.db2.gz KRLSMOFOZUVRKY-ZACQAIPSSA-N 0 0 489.664 1.061 20 0 JDADRN C[C@@H]1C[C@@H](C)CN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N2CCSCC2)C1 ZINC001493248222 1070266140 /nfs/dbraw/zinc/26/61/40/1070266140.db2.gz GNPSVCUHOBCHDS-IAGOWNOFSA-N 0 0 470.665 1.261 20 0 JDADRN C[C@H]1C[C@@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 ZINC001493283717 1070277210 /nfs/dbraw/zinc/27/72/10/1070277210.db2.gz SRRMRSYZSOTZMP-ROUUACIJSA-N 0 0 471.562 1.426 20 0 JDADRN C[C@H]1C[C@H](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 ZINC001493283823 1070277538 /nfs/dbraw/zinc/27/75/38/1070277538.db2.gz VAVSYYUYYJXCOM-RBUKOAKNSA-N 0 0 484.605 1.341 20 0 JDADRN C[C@@H]1C[C@@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCO1 ZINC001493284604 1070278204 /nfs/dbraw/zinc/27/82/04/1070278204.db2.gz YTUILSWVFPIGMB-SQNIBIBYSA-N 0 0 453.609 1.733 20 0 JDADRN C[C@H]1C[C@@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 ZINC001493283943 1070278433 /nfs/dbraw/zinc/27/84/33/1070278433.db2.gz WESSNRKVBHYNBS-ROUUACIJSA-N 0 0 468.624 1.191 20 0 JDADRN C[C@@H]1C[C@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCO1 ZINC001493284141 1070278627 /nfs/dbraw/zinc/27/86/27/1070278627.db2.gz XEFIHTDWZFBXEK-RCCFBDPRSA-N 0 0 468.624 1.189 20 0 JDADRN C[C@@H]1C[C@@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCO1 ZINC001493284138 1070278805 /nfs/dbraw/zinc/27/88/05/1070278805.db2.gz XEFIHTDWZFBXEK-KSZLIROESA-N 0 0 468.624 1.189 20 0 JDADRN C[C@H]1C[C@@H](CCn2c(-c3cnn(C)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC001493292349 1070279353 /nfs/dbraw/zinc/27/93/53/1070279353.db2.gz NFAILTJZWGDFJU-IRXDYDNUSA-N 0 0 465.624 1.744 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001493289424 1070279542 /nfs/dbraw/zinc/27/95/42/1070279542.db2.gz DERQPGOPSHXSNO-ZHCJQAHYSA-N 0 0 479.669 1.351 20 0 JDADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493292409 1070279576 /nfs/dbraw/zinc/27/95/76/1070279576.db2.gz NVMUXZDRGAGUMP-SLHNCBLASA-N 0 0 486.683 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CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC2)C1 ZINC001502483797 1070591079 /nfs/dbraw/zinc/59/10/79/1070591079.db2.gz WCDWZCXTBCRNAV-XMTFNYHQSA-N 0 0 455.625 1.751 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCOCC2)C1 ZINC001502483746 1070591179 /nfs/dbraw/zinc/59/11/79/1070591179.db2.gz VEABFMCPORNHGN-LJQANCHMSA-N 0 0 497.593 1.446 20 0 JDADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cnn(C)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001494463054 1070591288 /nfs/dbraw/zinc/59/12/88/1070591288.db2.gz AWMSCZHGUGECKA-WBVHZDCISA-N 0 0 458.567 1.532 20 0 JDADRN CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001494463412 1070591457 /nfs/dbraw/zinc/59/14/57/1070591457.db2.gz CXTLZVSLISXJHZ-WZONZLPQSA-N 0 0 462.595 1.337 20 0 JDADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)(C)C)C[C@@H](C(F)(F)F)O1 ZINC001494463672 1070591525 /nfs/dbraw/zinc/59/15/25/1070591525.db2.gz DZDIUUBGHSLUQF-KGLIPLIRSA-N 0 0 460.501 1.861 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001502483827 1070591868 /nfs/dbraw/zinc/59/18/68/1070591868.db2.gz WUQKQKBYYLBUFG-RRMPHLOHSA-N 0 0 465.624 1.209 20 0 JDADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)(C)C)C[C@H](C(F)(F)F)O1 ZINC001494463673 1070592244 /nfs/dbraw/zinc/59/22/44/1070592244.db2.gz DZDIUUBGHSLUQF-UONOGXRCSA-N 0 0 460.501 1.861 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001502484248 1070594485 /nfs/dbraw/zinc/59/44/85/1070594485.db2.gz KGLGIKQZUVDSDM-ULQDDVLXSA-N 0 0 486.639 1.618 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(Cl)c2)C1 ZINC001502483862 1070592693 /nfs/dbraw/zinc/59/26/93/1070592693.db2.gz XQLJOCMVRMYRTN-MRXNPFEDSA-N 0 0 497.021 1.629 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCS2)C1 ZINC001502483918 1070592716 /nfs/dbraw/zinc/59/27/16/1070592716.db2.gz YXOMNTCNZRHRTC-MSOLQXFVSA-N 0 0 467.665 1.943 20 0 JDADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCOCC2)CC(C)(C)O1 ZINC001494465060 1070593097 /nfs/dbraw/zinc/59/30/97/1070593097.db2.gz MADUPVBPAVJGRB-OAHLLOKOSA-N 0 0 476.603 1.555 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC(C)C)CC1 ZINC001502483978 1070593372 /nfs/dbraw/zinc/59/33/72/1070593372.db2.gz BDDVDTXCVTWDTD-UHFFFAOYSA-N 0 0 472.550 1.507 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COCC)n2Cc2ccccc2N2CCOCC2)C1 ZINC001502483949 1070593493 /nfs/dbraw/zinc/59/34/93/1070593493.db2.gz ZTFKPEAGXZANJE-LJQANCHMSA-N 0 0 478.619 1.218 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCS2)C1 ZINC001502483920 1070593618 /nfs/dbraw/zinc/59/36/18/1070593618.db2.gz YXOMNTCNZRHRTC-ROUUACIJSA-N 0 0 467.665 1.943 20 0 JDADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)cs2)CC(=O)N1C ZINC001494465861 1070593693 /nfs/dbraw/zinc/59/36/93/1070593693.db2.gz RFCQRMDGLAHYAA-GFCCVEGCSA-N 0 0 467.393 1.940 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCOCC2)CC1 ZINC001502484078 1070594112 /nfs/dbraw/zinc/59/41/12/1070594112.db2.gz FFWKNSLFRPDDEU-KRWDZBQOSA-N 0 0 465.599 1.194 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001502484384 1070594875 /nfs/dbraw/zinc/59/48/75/1070594875.db2.gz NUUNKYICBSFMJB-QMHKHESXSA-N 0 0 487.561 1.522 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)C)CC1 ZINC001502484309 1070594920 /nfs/dbraw/zinc/59/49/20/1070594920.db2.gz LTJNCIFPFOGMIV-UHFFFAOYSA-N 0 0 463.583 1.486 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001502484376 1070595030 /nfs/dbraw/zinc/59/50/30/1070595030.db2.gz NKJTWYFIGGBSEG-MRXNPFEDSA-N 0 0 456.613 1.740 20 0 JDADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CCC2)CCN1CC(F)(F)F ZINC001494466711 1070594916 /nfs/dbraw/zinc/59/49/16/1070594916.db2.gz VNBUIMIMZFKRFQ-IBADJEFMSA-N 0 0 476.569 1.775 20 0 JDADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2cn[nH]c2)CCN1C(=O)OC(C)(C)C ZINC001494466554 1070595031 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YGHXYWDGRXGAGG-UHFFFAOYSA-N 0 0 495.602 1.843 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001502485880 1070596358 /nfs/dbraw/zinc/59/63/58/1070596358.db2.gz JDZISSQUXSSNQM-VSDWSMLSSA-N 0 0 481.594 1.527 20 0 JDADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C)CCN1CC(F)(F)F ZINC001494467671 1070596453 /nfs/dbraw/zinc/59/64/53/1070596453.db2.gz ZXSOUUVHLDOTIJ-ZDUSSCGKSA-N 0 0 473.525 1.431 20 0 JDADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)N(C)C)CCS1 ZINC001494468035 1070596619 /nfs/dbraw/zinc/59/66/19/1070596619.db2.gz LTZSJHXQWRVYQE-CYBMUJFWSA-N 0 0 458.635 1.103 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)CC1 ZINC001502486053 1070596570 /nfs/dbraw/zinc/59/65/70/1070596570.db2.gz ONUZUNJHRJNSGG-HSZRJFAPSA-N 0 0 480.610 1.900 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2COCCO2)CC1 ZINC001502485651 1070596680 /nfs/dbraw/zinc/59/66/80/1070596680.db2.gz AEGSOAIPALKBSL-XXBNENTESA-N 0 0 481.594 1.791 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001502486707 1070596701 /nfs/dbraw/zinc/59/67/01/1070596701.db2.gz LYPNEUCREFQDRY-UHFFFAOYSA-N 0 0 471.562 1.679 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCc2ccco2)CC1 ZINC001502487398 1070597031 /nfs/dbraw/zinc/59/70/31/1070597031.db2.gz LZEIYAXKLAEFKQ-UHFFFAOYSA-N 0 0 470.534 1.645 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)CC)CC1 ZINC001502487600 1070597783 /nfs/dbraw/zinc/59/77/83/1070597783.db2.gz SAMQGCNEGBIKSJ-UHFFFAOYSA-N 0 0 453.569 1.270 20 0 JDADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001494469637 1070598071 /nfs/dbraw/zinc/59/80/71/1070598071.db2.gz RHWZPWPGMHDNRS-GXTWGEPZSA-N 0 0 474.509 1.904 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CC1 ZINC001502487910 1070598651 /nfs/dbraw/zinc/59/86/51/1070598651.db2.gz CKMQCAJQNXRCBE-GOSISDBHSA-N 0 0 484.623 1.612 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 ZINC001502488014 1070598849 /nfs/dbraw/zinc/59/88/49/1070598849.db2.gz GDHJXSWBUQUZOI-KRWDZBQOSA-N 0 0 467.592 1.584 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)nc2)CC1 ZINC001502487905 1070598865 /nfs/dbraw/zinc/59/88/65/1070598865.db2.gz CHFWWQVMBGLASB-SFHVURJKSA-N 0 0 476.603 1.989 20 0 JDADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)CC(=O)N1C ZINC001494470450 1070598822 /nfs/dbraw/zinc/59/88/22/1070598822.db2.gz XNYTVSJUMBFTRK-HNNXBMFYSA-N 0 0 481.582 1.278 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)CC1 ZINC001502488645 1070599288 /nfs/dbraw/zinc/59/92/88/1070599288.db2.gz XSJLQJJTTPWPJW-QGZVFWFLSA-N 0 0 471.624 1.790 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)CC1 ZINC001502488266 1070599319 /nfs/dbraw/zinc/59/93/19/1070599319.db2.gz NLNMAUHUNHJZDL-HNNXBMFYSA-N 0 0 482.632 1.937 20 0 JDADRN CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccs2)CC1 ZINC001502488267 1070599445 /nfs/dbraw/zinc/59/94/45/1070599445.db2.gz NLNMAUHUNHJZDL-OAHLLOKOSA-N 0 0 482.632 1.937 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 ZINC001494504026 1070604109 /nfs/dbraw/zinc/60/41/09/1070604109.db2.gz XYSNGJDDIJFJQC-NCOADZHNSA-N 0 0 491.593 1.952 20 0 JDADRN C[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)CC(=O)N1C ZINC001494503624 1070604139 /nfs/dbraw/zinc/60/41/39/1070604139.db2.gz XJEZZRMIORYYOT-HOTGVXAUSA-N 0 0 484.623 1.452 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC001502491497 1070604105 /nfs/dbraw/zinc/60/41/05/1070604105.db2.gz WUNIYZUBKKIEHG-NRFANRHFSA-N 0 0 452.625 1.888 20 0 JDADRN C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC001494507356 1070604210 /nfs/dbraw/zinc/60/42/10/1070604210.db2.gz UMCMERDGDVOUHZ-OKZBNKHCSA-N 0 0 498.650 1.857 20 0 JDADRN 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C[C@@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCO2)CCOC1(C)C ZINC001494642625 1070668878 /nfs/dbraw/zinc/66/88/78/1070668878.db2.gz MLXILYQENKLIJG-GVDBMIGSSA-N 0 0 457.597 1.184 20 0 JDADRN C[C@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)CCOC1(C)C ZINC001494642372 1070668925 /nfs/dbraw/zinc/66/89/25/1070668925.db2.gz KFRLJNRYJRHXAJ-HZPDHXFCSA-N 0 0 459.588 1.897 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001494642458 1070668946 /nfs/dbraw/zinc/66/89/46/1070668946.db2.gz GGTVYCFGPCHYTJ-OYHNWAKOSA-N 0 0 460.535 1.301 20 0 JDADRN CCOC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001502554229 1070669947 /nfs/dbraw/zinc/66/99/47/1070669947.db2.gz QTVAQONBXDXNSU-KRWDZBQOSA-N 0 0 491.614 1.663 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001494644076 1070670085 /nfs/dbraw/zinc/67/00/85/1070670085.db2.gz OFRVGXGSNUYAMH-DMPWYTOCSA-N 0 0 464.567 1.157 20 0 JDADRN C[C@@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)CCOC1(C)C ZINC001494643868 1070670187 /nfs/dbraw/zinc/67/01/87/1070670187.db2.gz SHNZTXGDOWYGSL-DLBZAZTESA-N 0 0 471.624 1.310 20 0 JDADRN CCOC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001502554382 1070670903 /nfs/dbraw/zinc/67/09/03/1070670903.db2.gz UHACKYHDHPXFDD-MRXNPFEDSA-N 0 0 494.618 1.691 20 0 JDADRN C[C@H]1N(c2nnc(COc3ccccc3F)n2CCCNS(C)(=O)=O)CCOC1(C)C ZINC001494644491 1070671123 /nfs/dbraw/zinc/67/11/23/1070671123.db2.gz OGJJMMRPRXLASO-OAHLLOKOSA-N 0 0 455.556 1.939 20 0 JDADRN C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CCOC1(C)C ZINC001494644405 1070671253 /nfs/dbraw/zinc/67/12/53/1070671253.db2.gz VTSJHIQUJIBEKW-ZWKOTPCHSA-N 0 0 467.636 1.977 20 0 JDADRN CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 ZINC001502554594 1070671113 /nfs/dbraw/zinc/67/11/13/1070671113.db2.gz WPHDHYRIJMUDSB-KRWDZBQOSA-N 0 0 473.640 1.679 20 0 JDADRN CCOC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001502554264 1070671383 /nfs/dbraw/zinc/67/13/83/1070671383.db2.gz RQJZRJGSMFWATA-WMZOPIPTSA-N 0 0 450.609 1.798 20 0 JDADRN CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001502536728 1070663950 /nfs/dbraw/zinc/66/39/50/1070663950.db2.gz HYZQRCKSGKUULJ-MRXNPFEDSA-N 0 0 470.640 1.542 20 0 JDADRN CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001502536638 1070664026 /nfs/dbraw/zinc/66/40/26/1070664026.db2.gz FRVHGYKRODPAMI-ZBFHGGJFSA-N 0 0 453.613 1.951 20 0 JDADRN C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCS(=O)(=O)CC2)CCOC1(C)C ZINC001494623006 1070664062 /nfs/dbraw/zinc/66/40/62/1070664062.db2.gz SOFGGSFQBJAMHH-OAHLLOKOSA-N 0 0 462.576 1.754 20 0 JDADRN CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001502537409 1070664849 /nfs/dbraw/zinc/66/48/49/1070664849.db2.gz XKWZMRJTKMXSLM-GOEBONIOSA-N 0 0 497.618 1.774 20 0 JDADRN C[C@H]1N(c2nnc(-c3cnn(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CCOC1(C)C ZINC001494632785 1070664770 /nfs/dbraw/zinc/66/47/70/1070664770.db2.gz IXXOXCMDNJBGGT-OAHLLOKOSA-N 0 0 461.567 1.976 20 0 JDADRN C[C@@H]1N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)CCOC1(C)C ZINC001494629451 1070665092 /nfs/dbraw/zinc/66/50/92/1070665092.db2.gz BFCWDJMPUULDOG-ZDUSSCGKSA-N 0 0 461.477 1.306 20 0 JDADRN C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCS(C)(=O)=O)CCOC1(C)C ZINC001494630111 1070665381 /nfs/dbraw/zinc/66/53/81/1070665381.db2.gz HEBRJZNHRUMLRM-OAHLLOKOSA-N 0 0 470.617 1.787 20 0 JDADRN CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001502537258 1070665370 /nfs/dbraw/zinc/66/53/70/1070665370.db2.gz UJZWBDBWCOWFRI-IRXDYDNUSA-N 0 0 458.629 1.004 20 0 JDADRN C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)CCOC1(C)C ZINC001494644404 1070671361 /nfs/dbraw/zinc/67/13/61/1070671361.db2.gz VTSJHIQUJIBEKW-ROUUACIJSA-N 0 0 467.636 1.977 20 0 JDADRN C[C@H]1N(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CCOC1(C)C ZINC001494633745 1070665957 /nfs/dbraw/zinc/66/59/57/1070665957.db2.gz LUHXRHVCNGEHGR-MRXNPFEDSA-N 0 0 466.633 1.722 20 0 JDADRN CCOC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001502540948 1070666376 /nfs/dbraw/zinc/66/63/76/1070666376.db2.gz NPPOSWWCHYYOIJ-KRWDZBQOSA-N 0 0 499.659 1.634 20 0 JDADRN C[C@@H]1N(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CCOC1(C)C ZINC001494633744 1070666502 /nfs/dbraw/zinc/66/65/02/1070666502.db2.gz LUHXRHVCNGEHGR-INIZCTEOSA-N 0 0 466.633 1.722 20 0 JDADRN C[C@@H]1N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCOC2)CCOC1(C)C ZINC001494640571 1070666572 /nfs/dbraw/zinc/66/65/72/1070666572.db2.gz AFKZSKQJCSNAAD-ULQDDVLXSA-N 0 0 457.597 1.041 20 0 JDADRN CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 ZINC001502554681 1070672159 /nfs/dbraw/zinc/67/21/59/1070672159.db2.gz XUVCZDHCLKBLFI-OXJNMPFZSA-N 0 0 459.613 1.431 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001494646628 1070672249 /nfs/dbraw/zinc/67/22/49/1070672249.db2.gz VMAAPPXQIDMIHW-LLJLJFOGSA-N 0 0 492.621 1.747 20 0 JDADRN CCOC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502556683 1070672243 /nfs/dbraw/zinc/67/22/43/1070672243.db2.gz JSAUHEVLXGRIIT-UHFFFAOYSA-N 0 0 474.581 1.996 20 0 JDADRN CCOC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001502562524 1070673109 /nfs/dbraw/zinc/67/31/09/1070673109.db2.gz JRJCRHIDVQEKRM-KRWDZBQOSA-N 0 0 472.594 1.613 20 0 JDADRN CCOC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001502565090 1070673157 /nfs/dbraw/zinc/67/31/57/1070673157.db2.gz PIAQJRNNSTUHSQ-UHFFFAOYSA-N 0 0 488.564 1.739 20 0 JDADRN CCOC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001502562756 1070673296 /nfs/dbraw/zinc/67/32/96/1070673296.db2.gz LRELZWCNNCJFMW-HSZRJFAPSA-N 0 0 472.594 1.769 20 0 JDADRN CCOC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001502562282 1070673336 /nfs/dbraw/zinc/67/33/36/1070673336.db2.gz FBDHIXOTBFTTJU-MRXNPFEDSA-N 0 0 460.583 1.790 20 0 JDADRN CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001502569738 1070674293 /nfs/dbraw/zinc/67/42/93/1070674293.db2.gz VBHYSYGVGFKDFA-BBWFWOEESA-N 0 0 464.567 1.290 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001494655038 1070674193 /nfs/dbraw/zinc/67/41/93/1070674193.db2.gz FQXLUHZBBSGIPA-DYXDTQHNSA-N 0 0 451.474 1.788 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001494655039 1070674330 /nfs/dbraw/zinc/67/43/30/1070674330.db2.gz FQXLUHZBBSGIPA-JDORSLCVSA-N 0 0 451.474 1.788 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001494654091 1070674402 /nfs/dbraw/zinc/67/44/02/1070674402.db2.gz DAAUPBRZBJPYNT-VBKZILBWSA-N 0 0 468.480 1.775 20 0 JDADRN CCO[C@@H](C)c1noc(CN2CCN(c3nnc(C)n3Cc3cccc(C(=O)NC)c3)CC2)n1 ZINC001502576836 1070675021 /nfs/dbraw/zinc/67/50/21/1070675021.db2.gz ZKNINVXIZSDDJM-INIZCTEOSA-N 0 0 468.562 1.797 20 0 JDADRN CCO[C@H](C)c1noc(CN2CCN(c3nnc(C)n3CCN(C)CC(F)(F)F)CC2)n1 ZINC001502574401 1070675199 /nfs/dbraw/zinc/67/51/99/1070675199.db2.gz DGJMLYVNSZAXFD-CQSZACIVSA-N 0 0 460.505 1.883 20 0 JDADRN CCO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C1CCCC1 ZINC001502577823 1070675228 /nfs/dbraw/zinc/67/52/28/1070675228.db2.gz DGHDZFNNSATBDE-DZOHQFGASA-N 0 0 485.607 1.988 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(F)(F)F ZINC001494655358 1070675170 /nfs/dbraw/zinc/67/51/70/1070675170.db2.gz HNEUYOUWRKKECY-IFXJQAMLSA-N 0 0 455.485 1.991 20 0 JDADRN C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCNS(C)(=O)=O ZINC001494655696 1070675297 /nfs/dbraw/zinc/67/52/97/1070675297.db2.gz JRGZQVMEWUSICF-OPAMFIHVSA-N 0 0 465.620 1.768 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001494657395 1070680386 /nfs/dbraw/zinc/68/03/86/1070680386.db2.gz VCROXDFKPMLLIJ-KHYOSLBOSA-N 0 0 465.492 1.734 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494655985 1070676275 /nfs/dbraw/zinc/67/62/75/1070676275.db2.gz LCLUGUGVAKGSBQ-YHEJKZAPSA-N 0 0 461.567 1.664 20 0 JDADRN CCO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)C(C)C ZINC001502590066 1070676391 /nfs/dbraw/zinc/67/63/91/1070676391.db2.gz CGCWMJHHKQPGMU-GVDBMIGSSA-N 0 0 461.567 1.153 20 0 JDADRN CCO[C@@H](CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C ZINC001502579367 1070676459 /nfs/dbraw/zinc/67/64/59/1070676459.db2.gz TWVGODQZOXWRPN-UXHICEINSA-N 0 0 478.638 1.750 20 0 JDADRN CCO[C@H](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C ZINC001502590211 1070676679 /nfs/dbraw/zinc/67/66/79/1070676679.db2.gz DQMXJHHGIWTYOD-MOPGFXCFSA-N 0 0 483.573 1.996 20 0 JDADRN 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C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 ZINC001494656958 1070679074 /nfs/dbraw/zinc/67/90/74/1070679074.db2.gz QYQLZLIDXPMXEA-MEDUHNTESA-N 0 0 477.406 1.544 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001494657077 1070679124 /nfs/dbraw/zinc/67/91/24/1070679124.db2.gz SQYMEEKMKSVSPG-YHEJKZAPSA-N 0 0 461.567 1.712 20 0 JDADRN CCO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)C(C)C ZINC001502591823 1070678975 /nfs/dbraw/zinc/67/89/75/1070678975.db2.gz ZGTYPKZMWLVGSK-SCTDSRPQSA-N 0 0 475.594 1.447 20 0 JDADRN CCO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)C(C)C ZINC001502596333 1070679031 /nfs/dbraw/zinc/67/90/31/1070679031.db2.gz DNMIUFKIGWDSGP-OKZBNKHCSA-N 0 0 455.625 1.723 20 0 JDADRN CCO[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001502596278 1070679243 /nfs/dbraw/zinc/67/92/43/1070679243.db2.gz CPGDKDMBXHCCLV-OALUTQOASA-N 0 0 455.625 1.690 20 0 JDADRN 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CCO[C@@]1(c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCS(C)(=O)=O)CCOC1 ZINC001502624927 1070707783 /nfs/dbraw/zinc/70/77/83/1070707783.db2.gz LOFIDENHLCBQFY-FQEVSTJZSA-N 0 0 485.994 1.703 20 0 JDADRN CCO[C@@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CCOC1 ZINC001502624957 1070707801 /nfs/dbraw/zinc/70/78/01/1070707801.db2.gz LYOOJHYBWFWFSC-UTKZUKDTSA-N 0 0 450.561 1.502 20 0 JDADRN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)C1 ZINC001494698286 1070708156 /nfs/dbraw/zinc/70/81/56/1070708156.db2.gz NIHZFWKJMIHBSE-QWHCGFSZSA-N 0 0 486.549 1.159 20 0 JDADRN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)C1 ZINC001494698464 1070708183 /nfs/dbraw/zinc/70/81/83/1070708183.db2.gz NWFYQAHEPKMMIS-KFWWJZLASA-N 0 0 476.694 1.232 20 0 JDADRN CCO[C@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)CCOC1 ZINC001502625135 1070708212 /nfs/dbraw/zinc/70/82/12/1070708212.db2.gz OUVURFLTIJTGAR-NLSFWIRASA-N 0 0 465.595 1.619 20 0 JDADRN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)C1 ZINC001494698520 1070708380 /nfs/dbraw/zinc/70/83/80/1070708380.db2.gz OCKVWSZYJPTYCZ-UKRRQHHQSA-N 0 0 469.637 1.391 20 0 JDADRN CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CCc2cccc(C)n2)CCOC1 ZINC001502625103 1070708394 /nfs/dbraw/zinc/70/83/94/1070708394.db2.gz OLNMCZWQZKYGSB-HSZRJFAPSA-N 0 0 458.563 1.171 20 0 JDADRN CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)C1 ZINC001494699183 1070708824 /nfs/dbraw/zinc/70/88/24/1070708824.db2.gz RPGWHOJNVSXINX-SJORKVTESA-N 0 0 470.640 1.469 20 0 JDADRN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@](C)(CC)O2)C1 ZINC001494698868 1070708992 /nfs/dbraw/zinc/70/89/92/1070708992.db2.gz PQTISCAGYCUPCO-WCLQXYBISA-N 0 0 470.640 1.731 20 0 JDADRN CCC(=O)N[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)C1 ZINC001494699053 1070709035 /nfs/dbraw/zinc/70/90/35/1070709035.db2.gz RVTKYAWMBPCTSD-UUOWRZLLSA-N 0 0 476.622 1.859 20 0 JDADRN 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COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)CN(C)C2=O)ccc1OC(F)F ZINC001504092002 1070829215 /nfs/dbraw/zinc/82/92/15/1070829215.db2.gz PSTTZZLIIBKCAI-PEBXRYMYSA-N 0 0 478.500 1.954 20 0 JDADRN CC[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 ZINC001496046002 1070829225 /nfs/dbraw/zinc/82/92/25/1070829225.db2.gz USQAMFRGFJUIEQ-BEFAXECRSA-N 0 0 465.576 1.870 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)c2ccccc2n1 ZINC001504091857 1070829239 /nfs/dbraw/zinc/82/92/39/1070829239.db2.gz VBRJHEVJUQBRRP-GJZGRUSLSA-N 0 0 487.586 1.160 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)ccc1SC ZINC001504092116 1070829250 /nfs/dbraw/zinc/82/92/50/1070829250.db2.gz ZAESMNMJWPHWKQ-HNNXBMFYSA-N 0 0 467.617 1.635 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCS(=O)(=O)CC)CCOC1 ZINC001502721563 1070829288 /nfs/dbraw/zinc/82/92/88/1070829288.db2.gz GZCUUSURULLPOL-PGRDOPGGSA-N 0 0 485.651 1.054 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(C)(OC)C2)c2ccccc2n1 ZINC001504091955 1070829312 /nfs/dbraw/zinc/82/93/12/1070829312.db2.gz VMQCLYFYFRGAGF-AWEZNQCLSA-N 0 0 460.560 1.719 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(C)(OC)C2)c2ccccc2n1 ZINC001504091958 1070829330 /nfs/dbraw/zinc/82/93/30/1070829330.db2.gz VMQCLYFYFRGAGF-CQSZACIVSA-N 0 0 460.560 1.719 20 0 JDADRN CC[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 ZINC001496046210 1070829394 /nfs/dbraw/zinc/82/93/94/1070829394.db2.gz XWXOCEIPRDRYHW-APWZRJJASA-N 0 0 470.640 1.352 20 0 JDADRN CC[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 ZINC001496046156 1070829403 /nfs/dbraw/zinc/82/94/03/1070829403.db2.gz XEDZUFMALFZRII-UKRRQHHQSA-N 0 0 473.550 1.869 20 0 JDADRN CC[C@@H](c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)N[C@@H](C)CC)c1ccccc1 ZINC001496225252 1070838101 /nfs/dbraw/zinc/83/81/01/1070838101.db2.gz YESLHVKXDSJWLQ-YSIASYRMSA-N 0 0 481.601 1.272 20 0 JDADRN CC[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001496046218 1070829537 /nfs/dbraw/zinc/82/95/37/1070829537.db2.gz XXZGTRZQYMSGID-APWZRJJASA-N 0 0 499.659 1.545 20 0 JDADRN CC[C@H](C)CN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001496059887 1070829568 /nfs/dbraw/zinc/82/95/68/1070829568.db2.gz USSZXABHVDFDQN-HRAATJIYSA-N 0 0 452.577 1.898 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cnn(C)c3)C2)ccc1C ZINC001504092514 1070829541 /nfs/dbraw/zinc/82/95/41/1070829541.db2.gz XNNZPBKJXXMDLZ-OXQOHEQNSA-N 0 0 489.602 1.565 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2Cc2nncn2CC)CCOC1 ZINC001502721583 1070829596 /nfs/dbraw/zinc/82/95/96/1070829596.db2.gz HLBIVBNVZKBRRJ-KXBFYZLASA-N 0 0 472.516 1.663 20 0 JDADRN CC[C@@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(=O)N1CCOCC1 ZINC001496088951 1070829667 /nfs/dbraw/zinc/82/96/67/1070829667.db2.gz VJKAGDQVBBMMQU-QGZVFWFLSA-N 0 0 467.574 1.923 20 0 JDADRN COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)ccc1SC ZINC001504092647 1070829680 /nfs/dbraw/zinc/82/96/80/1070829680.db2.gz SDZVJUYUEVZJCZ-YCRPNKLZSA-N 0 0 495.627 1.146 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cnn(C)c3)C2)ccc1C ZINC001504092515 1070829700 /nfs/dbraw/zinc/82/97/00/1070829700.db2.gz XNNZPBKJXXMDLZ-UZLBHIALSA-N 0 0 489.602 1.565 20 0 JDADRN COc1cc(F)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C)c1 ZINC001504112102 1070838130 /nfs/dbraw/zinc/83/81/30/1070838130.db2.gz ADDZEDQHNDJTPY-KBXCAEBGSA-N 0 0 453.540 1.796 20 0 JDADRN COc1cc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)cc(OC)c1OC ZINC001504111901 1070838147 /nfs/dbraw/zinc/83/81/47/1070838147.db2.gz MUYQCVWDEHJWTR-UHFFFAOYSA-N 0 0 488.545 1.167 20 0 JDADRN COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)ccc1OCCO ZINC001504093192 1070829817 /nfs/dbraw/zinc/82/98/17/1070829817.db2.gz BSDHPBXKYNSLJW-SFHVURJKSA-N 0 0 459.547 1.315 20 0 JDADRN CC[C@H](C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001496095351 1070829876 /nfs/dbraw/zinc/82/98/76/1070829876.db2.gz ZPEPJSHMSUWPPM-GVDBMIGSSA-N 0 0 461.654 1.334 20 0 JDADRN CC[C@@H](C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)nc1 ZINC001496091443 1070829882 /nfs/dbraw/zinc/82/98/82/1070829882.db2.gz MTFIGAUYBQOEKV-QAPCUYQASA-N 0 0 479.607 1.026 20 0 JDADRN COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCCO2)ccc1C ZINC001504093210 1070829943 /nfs/dbraw/zinc/82/99/43/1070829943.db2.gz CFIIEDCCYINESI-UYAOXDASSA-N 0 0 479.603 1.592 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001502721642 1070829944 /nfs/dbraw/zinc/82/99/44/1070829944.db2.gz IENZJWREWHMUQE-RXVVDRJESA-N 0 0 455.625 1.143 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC(=O)NCC2CC2)CCOC1 ZINC001502721758 1070829977 /nfs/dbraw/zinc/82/99/77/1070829977.db2.gz IHHSYXGJPBEJAR-LJQANCHMSA-N 0 0 460.501 1.141 20 0 JDADRN COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc(Cl)c1OC ZINC001504093197 1070829979 /nfs/dbraw/zinc/82/99/79/1070829979.db2.gz BXSPCVAHQBWIQI-HIFRSBDPSA-N 0 0 498.005 1.566 20 0 JDADRN COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)ccc1Cl ZINC001504092914 1070830011 /nfs/dbraw/zinc/83/00/11/1070830011.db2.gz ZFZUCWRQTJIKAR-KRWDZBQOSA-N 0 0 475.981 1.150 20 0 JDADRN COc1cc(F)cc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC001504112655 1070838156 /nfs/dbraw/zinc/83/81/56/1070838156.db2.gz XTVUHIMVYREETH-UHFFFAOYSA-N 0 0 458.538 1.901 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 ZINC001502722035 1070830224 /nfs/dbraw/zinc/83/02/24/1070830224.db2.gz JWYBYCSFLCMGOR-HXUWFJFHSA-N 0 0 476.544 1.919 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCN2CCOC(C)(C)C2)CCOC1 ZINC001502722048 1070830241 /nfs/dbraw/zinc/83/02/41/1070830241.db2.gz KEIBTTYSHMJHBY-CJFMBICVSA-N 0 0 492.665 1.734 20 0 JDADRN COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)ccc1C ZINC001504093376 1070830220 /nfs/dbraw/zinc/83/02/20/1070830220.db2.gz GVSDPIMTAVFKFF-GOSISDBHSA-N 0 0 465.576 1.201 20 0 JDADRN COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)cc(OC)c1OC ZINC001504093309 1070830284 /nfs/dbraw/zinc/83/02/84/1070830284.db2.gz FLMJZFRIAQOXBN-SFHVURJKSA-N 0 0 481.575 1.285 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)CCOC1 ZINC001502721927 1070830291 /nfs/dbraw/zinc/83/02/91/1070830291.db2.gz JTKURTVSZQVTDW-ZILOHOTNSA-N 0 0 478.638 1.202 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H]2CCCOC2)CCOC1 ZINC001502722040 1070830314 /nfs/dbraw/zinc/83/03/14/1070830314.db2.gz JYTNLFYRKIYAJX-WMZHIEFXSA-N 0 0 464.611 1.003 20 0 JDADRN COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)ccc1Cl ZINC001504093500 1070830511 /nfs/dbraw/zinc/83/05/11/1070830511.db2.gz JMKRFMQPBPFJGS-RDTXWAMCSA-N 0 0 485.994 1.546 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccn(C)n1 ZINC001504111845 1070838207 /nfs/dbraw/zinc/83/82/07/1070838207.db2.gz ZVZWCVIPBISAGN-QGZVFWFLSA-N 0 0 459.938 1.730 20 0 JDADRN COc1cc(F)cc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)c1 ZINC001504114105 1070839091 /nfs/dbraw/zinc/83/90/91/1070839091.db2.gz ZMLVLBHRKYSEKV-UHFFFAOYSA-N 0 0 456.526 1.085 20 0 JDADRN COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](OC)C(C)(C)C2)ccc1C ZINC001504093708 1070830618 /nfs/dbraw/zinc/83/06/18/1070830618.db2.gz NSAWKKSSUIRORV-VQTJNVASSA-N 0 0 493.630 1.838 20 0 JDADRN COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)ccc1Cl ZINC001504093498 1070830629 /nfs/dbraw/zinc/83/06/29/1070830629.db2.gz JMKRFMQPBPFJGS-KDOFPFPSSA-N 0 0 485.994 1.546 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2C[C@@H]2CCCCO2)CCOC1 ZINC001502722149 1070830709 /nfs/dbraw/zinc/83/07/09/1070830709.db2.gz LHAGIDCFFRHHPH-MZLICYQSSA-N 0 0 478.638 1.536 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CCOc2ccc(C)cc2)CCOC1 ZINC001502727738 1070838250 /nfs/dbraw/zinc/83/82/50/1070838250.db2.gz CLJLGNLVAWUSCM-XXBNENTESA-N 0 0 459.547 1.269 20 0 JDADRN COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc(OC)c1OC ZINC001504094350 1070830841 /nfs/dbraw/zinc/83/08/41/1070830841.db2.gz ZQZMFJPVQZNZRQ-NVXWUHKLSA-N 0 0 459.547 1.948 20 0 JDADRN COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H]2C)ccc1OCCO ZINC001504094008 1070830866 /nfs/dbraw/zinc/83/08/66/1070830866.db2.gz USKSVAWWFUUTAE-NVXWUHKLSA-N 0 0 450.561 1.597 20 0 JDADRN COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C)C2)cc(OC)c1OC ZINC001504093777 1070830874 /nfs/dbraw/zinc/83/08/74/1070830874.db2.gz POPHXAFYKVAHEY-HOCLYGCPSA-N 0 0 466.560 1.479 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccccc2F)CCOC1 ZINC001502722690 1070831257 /nfs/dbraw/zinc/83/12/57/1070831257.db2.gz NOXDFJWAJRDVHH-QHCPKHFHSA-N 0 0 460.554 1.328 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2CC(F)(F)F)CCOC1 ZINC001502722900 1070831401 /nfs/dbraw/zinc/83/14/01/1070831401.db2.gz POFIMRXUZBLZKF-HNAYVOBHSA-N 0 0 462.517 1.529 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(F)F)CC3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 ZINC001502722960 1070831473 /nfs/dbraw/zinc/83/14/73/1070831473.db2.gz QNYVTGVPUXZFAJ-FQEVSTJZSA-N 0 0 477.578 1.142 20 0 JDADRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001504095004 1070831548 /nfs/dbraw/zinc/83/15/48/1070831548.db2.gz GFIMINIVLSBQFT-RCDCFZSISA-N 0 0 470.979 1.770 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001496226988 1070838308 /nfs/dbraw/zinc/83/83/08/1070838308.db2.gz KEZXMFOPYWURJB-CABCVRRESA-N 0 0 452.581 1.621 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001496227253 1070838314 /nfs/dbraw/zinc/83/83/14/1070838314.db2.gz LRCNPTCORADIDM-HZPDHXFCSA-N 0 0 488.589 1.943 20 0 JDADRN 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COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1C ZINC001504096095 1070831920 /nfs/dbraw/zinc/83/19/20/1070831920.db2.gz IAHYUPPAYOOIHN-IBGZPJMESA-N 0 0 487.630 1.975 20 0 JDADRN COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc(Cl)c1OC ZINC001504096999 1070831964 /nfs/dbraw/zinc/83/19/64/1070831964.db2.gz TTZJZGGEWVNYIB-AWEZNQCLSA-N 0 0 476.965 1.786 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2Cc2nnc(C)s2)CCOC1 ZINC001502723069 1070832015 /nfs/dbraw/zinc/83/20/15/1070832015.db2.gz RZXXAKNOKTWQFM-YCRPNKLZSA-N 0 0 463.608 1.832 20 0 JDADRN COc1cc(F)cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001504113134 1070838384 /nfs/dbraw/zinc/83/83/84/1070838384.db2.gz NTHMOVSXQCKNHC-YRNRMSPPSA-N 0 0 460.554 1.971 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2Cc2nnc(C)s2)CCOC1 ZINC001502723068 1070832173 /nfs/dbraw/zinc/83/21/73/1070832173.db2.gz RZXXAKNOKTWQFM-VFNWGFHPSA-N 0 0 463.608 1.832 20 0 JDADRN 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CCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)cc1OC ZINC001502794631 1070858370 /nfs/dbraw/zinc/85/83/70/1070858370.db2.gz MAFYFEGEDCLHBL-MRXNPFEDSA-N 0 0 491.614 1.844 20 0 JDADRN COc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CCS(C)(=O)=O)cc1 ZINC001504155499 1070858391 /nfs/dbraw/zinc/85/83/91/1070858391.db2.gz DUXPOCZVKQVRGG-UHFFFAOYSA-N 0 0 465.620 1.793 20 0 JDADRN COc1ccc(C)cc1CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnnn2C)CC1 ZINC001504156143 1070858681 /nfs/dbraw/zinc/85/86/81/1070858681.db2.gz ZGLLDPPVIJQWRV-UHFFFAOYSA-N 0 0 467.578 1.232 20 0 JDADRN COc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2cnnn2C)cc1 ZINC001504156541 1070858694 /nfs/dbraw/zinc/85/86/94/1070858694.db2.gz OWXAIPNLNKAAFA-UHFFFAOYSA-N 0 0 454.579 1.925 20 0 JDADRN CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](COC)C3)n2CC(=O)N2CCOCC2)cc1OC ZINC001502796400 1070858665 /nfs/dbraw/zinc/85/86/65/1070858665.db2.gz IJHUYUZYZODRFW-MJGOQNOKSA-N 0 0 489.573 1.451 20 0 JDADRN CCOc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCS(=O)(=O)NC)cc1OC 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LFYMSYXXHGFDHU-GFCCVEGCSA-N 0 0 469.369 1.707 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001504946783 1071989865 /nfs/dbraw/zinc/98/98/65/1071989865.db2.gz HFVSWILNCRNNKL-RTBURBONSA-N 0 0 484.601 1.840 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCC(=O)N1CCCCCC1 ZINC001504946827 1071989901 /nfs/dbraw/zinc/98/99/01/1071989901.db2.gz BZHDUFQUOCQENU-QYZOEREBSA-N 0 0 462.595 1.510 20 0 JDADRN Cn1ccc(CCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001503663316 1071990293 /nfs/dbraw/zinc/99/02/93/1071990293.db2.gz KGHDVYOLMSUHBX-QGZVFWFLSA-N 0 0 475.594 1.750 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001504947494 1071990594 /nfs/dbraw/zinc/99/05/94/1071990594.db2.gz IYQLBCVYLZILGS-YESZJQIVSA-N 0 0 468.599 1.830 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001504947276 1071990635 /nfs/dbraw/zinc/99/06/35/1071990635.db2.gz CJYAATBUDBMVMJ-YVWKXTFCSA-N 0 0 485.589 1.859 20 0 JDADRN Cn1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC001503663900 1071990979 /nfs/dbraw/zinc/99/09/79/1071990979.db2.gz QHGNSZWATJZZSD-HNNXBMFYSA-N 0 0 455.485 1.653 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1C[C@H]1CCCO1 ZINC001504948645 1071991960 /nfs/dbraw/zinc/99/19/60/1071991960.db2.gz XPCLVVWCIBTVPN-UKAVVXHISA-N 0 0 464.611 1.170 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CC(C)(C)N1CCOCC1 ZINC001504948078 1071991238 /nfs/dbraw/zinc/99/12/38/1071991238.db2.gz BABVMJTYUBNEOI-REHUZNOOSA-N 0 0 481.638 1.887 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(O)CCCCC1 ZINC001504943023 1071986216 /nfs/dbraw/zinc/98/62/16/1071986216.db2.gz GMKRMJKEMXFMLU-VWPQPMDRSA-N 0 0 492.665 1.686 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@H]1CCCO1 ZINC001504948646 1071992046 /nfs/dbraw/zinc/99/20/46/1071992046.db2.gz XPCLVVWCIBTVPN-UYWIDEMCSA-N 0 0 464.611 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Cn1cccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCSCC(F)(F)F ZINC001503669328 1071996850 /nfs/dbraw/zinc/99/68/50/1071996850.db2.gz XICNILVIMSLQEE-UHFFFAOYSA-N 0 0 499.563 1.850 20 0 JDADRN Cn1cccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001503665044 1071992304 /nfs/dbraw/zinc/99/23/04/1071992304.db2.gz KJXXCQORUHYYQN-UHFFFAOYSA-N 0 0 484.648 1.017 20 0 JDADRN Cn1cccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503665224 1071992375 /nfs/dbraw/zinc/99/23/75/1071992375.db2.gz FPOTWHXYHKLSHN-UHFFFAOYSA-N 0 0 459.494 1.922 20 0 JDADRN Cn1cccc1-c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCCC(=O)NC1CC1 ZINC001503666332 1071992875 /nfs/dbraw/zinc/99/28/75/1071992875.db2.gz RHJZWSRRSPMCCC-AWEZNQCLSA-N 0 0 467.496 1.847 20 0 JDADRN Cn1cccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001503666340 1071993077 /nfs/dbraw/zinc/99/30/77/1071993077.db2.gz RSAIAOYMCZTIJG-OALUTQOASA-N 0 0 491.536 1.363 20 0 JDADRN 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Cn1cccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O ZINC001503668023 1071994338 /nfs/dbraw/zinc/99/43/38/1071994338.db2.gz YZNPKXWZNAZSLT-OAHLLOKOSA-N 0 0 452.581 1.822 20 0 JDADRN Cn1cccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O ZINC001503668022 1071994458 /nfs/dbraw/zinc/99/44/58/1071994458.db2.gz YZNPKXWZNAZSLT-HNNXBMFYSA-N 0 0 452.581 1.822 20 0 JDADRN CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001546284838 1071994512 /nfs/dbraw/zinc/99/45/12/1071994512.db2.gz FWKMVTSWCYXVQV-LHSJRXKWSA-N 0 0 455.577 1.861 20 0 JDADRN Cn1cccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001503668618 1071995022 /nfs/dbraw/zinc/99/50/22/1071995022.db2.gz GCVVAKVDOYDMHM-INIZCTEOSA-N 0 0 471.649 1.900 20 0 JDADRN Cn1cccc1-c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001503668595 1071995077 /nfs/dbraw/zinc/99/50/77/1071995077.db2.gz FFLZAXBTYHQZIL-UHFFFAOYSA-N 0 0 485.614 1.854 20 0 JDADRN Cn1cccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001503668589 1071995088 /nfs/dbraw/zinc/99/50/88/1071995088.db2.gz FAMSEJOYMPRKJO-SJORKVTESA-N 0 0 469.633 1.512 20 0 JDADRN Cn1cccc1-c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001503668548 1071995149 /nfs/dbraw/zinc/99/51/49/1071995149.db2.gz FAMSEJOYMPRKJO-IAGOWNOFSA-N 0 0 469.633 1.512 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CC1(O)CCOCC1 ZINC001504950931 1071995324 /nfs/dbraw/zinc/99/53/24/1071995324.db2.gz JKVDVDHYVFXVRB-NJNPRVFISA-N 0 0 454.568 1.318 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001504951172 1071995380 /nfs/dbraw/zinc/99/53/80/1071995380.db2.gz OCVLXWXUDJRHDA-QIEVIBBNSA-N 0 0 461.538 1.764 20 0 JDADRN Cn1cccc1-c1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCS(C)(=O)=O ZINC001503668783 1071995683 /nfs/dbraw/zinc/99/56/83/1071995683.db2.gz MFASEHYCYJKYNF-UHFFFAOYSA-N 0 0 488.589 1.749 20 0 JDADRN Cn1cccc1-c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CCS(C)(=O)=O ZINC001503668924 1071995786 /nfs/dbraw/zinc/99/57/86/1071995786.db2.gz OILQCRXKEGOJLT-UHFFFAOYSA-N 0 0 490.561 1.195 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCCN1CCOCC1 ZINC001504951800 1071995999 /nfs/dbraw/zinc/99/59/99/1071995999.db2.gz MGCVCCXBULKZKX-MIZPHKNDSA-N 0 0 467.611 1.499 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001504951653 1071996091 /nfs/dbraw/zinc/99/60/91/1071996091.db2.gz ULHIFAQWKCWGPB-JWRIFHQMSA-N 0 0 465.595 1.645 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001504951356 1071996103 /nfs/dbraw/zinc/99/61/03/1071996103.db2.gz KQEDWFYBPCCKRD-FXKZBUDASA-N 0 0 465.595 1.691 20 0 JDADRN COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccnc(-n2cccn2)c1 ZINC001504953161 1071997343 /nfs/dbraw/zinc/99/73/43/1071997343.db2.gz XTRAKOZHFRXEIA-IRXDYDNUSA-N 0 0 454.535 1.298 20 0 JDADRN 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CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3cc(Br)ccc3C3=NCCO3)C[C@H]21 ZINC001467282280 1067997015 /nfs/dbraw/zinc/99/70/15/1067997015.db2.gz LVGVVVNNYVFSJW-CFVMTHIKSA-N 0 0 458.334 1.502 20 0 JDADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)NC1CCS(=O)(=O)CC1 ZINC001467283411 1067997179 /nfs/dbraw/zinc/99/71/79/1067997179.db2.gz HVMJIHXBPCFUMB-UHFFFAOYSA-N 0 0 459.322 1.972 20 0 JDADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC001467281523 1067997229 /nfs/dbraw/zinc/99/72/29/1067997229.db2.gz QJPMPRWUQAGHBI-GJZGRUSLSA-N 0 0 457.549 1.355 20 0 JDADRN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCn4ccnc4C3)c2)CC1 ZINC001467290907 1067997880 /nfs/dbraw/zinc/99/78/80/1067997880.db2.gz LOIWZYNJSHBDFC-HNNXBMFYSA-N 0 0 451.980 1.608 20 0 JDADRN CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC001467297226 1067998828 /nfs/dbraw/zinc/99/88/28/1067998828.db2.gz OMLLDCGPHOMIDV-QZTJIDSGSA-N 0 0 458.606 1.868 20 0 JDADRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)CC2 ZINC001467296557 1067998931 /nfs/dbraw/zinc/99/89/31/1067998931.db2.gz AHFYLRSVTIALHA-IRXDYDNUSA-N 0 0 459.590 1.887 20 0 JDADRN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)cc1 ZINC001467294644 1067998971 /nfs/dbraw/zinc/99/89/71/1067998971.db2.gz JUYSMARSPZLFKS-GFCCVEGCSA-N 0 0 451.492 1.236 20 0 JDADRN Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCN(C)C(=O)[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC001467299114 1068000152 /nfs/dbraw/zinc/00/01/52/1068000152.db2.gz JRBQIBGQGNPJEG-JKSUJKDBSA-N 0 0 459.572 1.234 20 0 JDADRN Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCN(C)C(=O)[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC001467299113 1068000261 /nfs/dbraw/zinc/00/02/61/1068000261.db2.gz JRBQIBGQGNPJEG-HZPDHXFCSA-N 0 0 459.572 1.234 20 0 JDADRN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C[C@H](C)O)CC3)cc2)cc1 ZINC001467310511 1068001094 /nfs/dbraw/zinc/00/10/94/1068001094.db2.gz ZVNXUIYLFZNYMT-KRWDZBQOSA-N 0 0 459.568 1.506 20 0 JDADRN COc1ccc2c(c1)nc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)n2C ZINC001467309972 1068001220 /nfs/dbraw/zinc/00/12/20/1068001220.db2.gz PIFPOUHIZMOGHR-KRWDZBQOSA-N 0 0 453.499 1.759 20 0 JDADRN CCN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC001467309483 1068001246 /nfs/dbraw/zinc/00/12/46/1068001246.db2.gz MAQVHECMTPERRE-UHFFFAOYSA-N 0 0 458.584 1.401 20 0 JDADRN CN(C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001467314587 1068001676 /nfs/dbraw/zinc/00/16/76/1068001676.db2.gz WOABVVMWTUNLQJ-HNNXBMFYSA-N 0 0 451.549 1.603 20 0 JDADRN COC(=O)C(C)(C)N1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC001467316506 1068001889 /nfs/dbraw/zinc/00/18/89/1068001889.db2.gz MBXYOFOLIZUPTM-UHFFFAOYSA-N 0 0 452.305 1.141 20 0 JDADRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(I)ccc1-n1cnnn1 ZINC001467317269 1068001908 /nfs/dbraw/zinc/00/19/08/1068001908.db2.gz LEOANBFAHKDCRU-LLVKDONJSA-N 0 0 455.178 1.652 20 0 JDADRN COc1cc(Br)ccc1CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC001467317349 1068002010 /nfs/dbraw/zinc/00/20/10/1068002010.db2.gz AMYSSQHRJZTXDO-SFHVURJKSA-N 0 0 454.321 1.690 20 0 JDADRN Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)cc1 ZINC001467318211 1068002247 /nfs/dbraw/zinc/00/22/47/1068002247.db2.gz BGTKMHYDYOIMRE-FQEVSTJZSA-N 0 0 451.527 1.741 20 0 JDADRN Cn1c2cc(NC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)ccc2c(=O)n(C)c1=O ZINC001467320045 1068002697 /nfs/dbraw/zinc/00/26/97/1068002697.db2.gz WEGKYPRYUAYTKP-ZDUSSCGKSA-N 0 0 455.462 1.907 20 0 JDADRN COCC(=O)N1CCc2cc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)ccc21 ZINC001467323081 1068002859 /nfs/dbraw/zinc/00/28/59/1068002859.db2.gz DNQSLOMAYNLINN-KRWDZBQOSA-N 0 0 458.902 1.488 20 0 JDADRN COC(=O)c1c(NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)nc2n1CCC2 ZINC001467325826 1068002996 /nfs/dbraw/zinc/00/29/96/1068002996.db2.gz BNBPLUDVYODUHQ-UHFFFAOYSA-N 0 0 455.924 1.759 20 0 JDADRN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)cc(C3CC3)nc21 ZINC001467324235 1068003028 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RFVGHJWQZZQPMJ-HNNXBMFYSA-N 0 0 451.570 1.968 20 0 JDADRN COCCN1C(=O)CCc2cc(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 ZINC001467338822 1068004564 /nfs/dbraw/zinc/00/45/64/1068004564.db2.gz NJVBHDVLFGSLPR-NRFANRHFSA-N 0 0 458.559 1.264 20 0 JDADRN CCO[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)[C@H]1OC ZINC001467342178 1068005241 /nfs/dbraw/zinc/00/52/41/1068005241.db2.gz FFZMYQLNPBEBES-PWIZWCRZSA-N 0 0 456.561 1.413 20 0 JDADRN C[C@H](NC(=O)CCC(=O)NCc1nc(N(C)C)no1)C(=O)c1ccc(Br)cc1 ZINC001467342323 1068005346 /nfs/dbraw/zinc/00/53/46/1068005346.db2.gz UMDSDWNEMGTXSU-NSHDSACASA-N 0 0 452.309 1.682 20 0 JDADRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)[C@@H]1OC ZINC001467342173 1068005409 /nfs/dbraw/zinc/00/54/09/1068005409.db2.gz FFZMYQLNPBEBES-AHRSYUTCSA-N 0 0 456.561 1.413 20 0 JDADRN CCOC(=O)c1sc2nc(CSCCC(=O)N[C@@H]3CCN(C)C3=O)[nH]c(=O)c2c1C ZINC001467354478 1068006221 /nfs/dbraw/zinc/00/62/21/1068006221.db2.gz YISHWNXTWAOBJX-LLVKDONJSA-N 0 0 452.558 1.440 20 0 JDADRN CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC001467355937 1068006573 /nfs/dbraw/zinc/00/65/73/1068006573.db2.gz CBLASYDXWKHEJP-SFHVURJKSA-N 0 0 450.511 1.788 20 0 JDADRN CN1CC[C@@H](NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)C1=O ZINC001467352693 1068006672 /nfs/dbraw/zinc/00/66/72/1068006672.db2.gz DEXTUTXOMIADFI-IAGOWNOFSA-N 0 0 457.556 1.460 20 0 JDADRN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC001467361224 1068007185 /nfs/dbraw/zinc/00/71/85/1068007185.db2.gz KYFIMZKKCXHLML-UHFFFAOYSA-N 0 0 455.895 1.529 20 0 JDADRN C[C@@H](C1CC1)n1cc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cn1 ZINC001467361465 1068007399 /nfs/dbraw/zinc/00/73/99/1068007399.db2.gz MGMADCQJMGBVKV-KBXCAEBGSA-N 0 0 454.574 1.574 20 0 JDADRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](CCO)c2ccco2)CC1 ZINC001467363207 1068007434 /nfs/dbraw/zinc/00/74/34/1068007434.db2.gz TWCCDUDMJIIJOR-QGZVFWFLSA-N 0 0 450.513 1.707 20 0 JDADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC001467362410 1068007469 /nfs/dbraw/zinc/00/74/69/1068007469.db2.gz XJECXIMLJOOHOG-YADARESESA-N 0 0 459.543 1.801 20 0 JDADRN CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CC3)CC1 ZINC001467363993 1068007848 /nfs/dbraw/zinc/00/78/48/1068007848.db2.gz OFGGTYYJEPELKH-UHFFFAOYSA-N 0 0 451.545 1.960 20 0 JDADRN COC(=O)C[C@](C)(NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)c1ccncc1 ZINC001467365905 1068008066 /nfs/dbraw/zinc/00/80/66/1068008066.db2.gz DVROGZCSIPDKHS-DEOSSOPVSA-N 0 0 454.527 1.931 20 0 JDADRN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)CCC1=O ZINC001467363281 1068008095 /nfs/dbraw/zinc/00/80/95/1068008095.db2.gz WDFYGRCCAXBYKR-OLZOCXBDSA-N 0 0 459.362 1.958 20 0 JDADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CC(NS(C)(=O)=O)C3)cc2)ccc1F ZINC001467376499 1068009263 /nfs/dbraw/zinc/00/92/63/1068009263.db2.gz QYSUCSYRWMLESN-UHFFFAOYSA-N 0 0 455.533 1.745 20 0 JDADRN 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O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001471570259 1068880831 /nfs/dbraw/zinc/88/08/31/1068880831.db2.gz ATONEDVRUSLTBM-CQSZACIVSA-N 0 0 459.318 1.526 20 0 JDADRN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3COc4c(F)cc(F)cc4C3)CC2)cs1 ZINC001471573290 1068881004 /nfs/dbraw/zinc/88/10/04/1068881004.db2.gz UXVSMWYUBXYTML-CQSZACIVSA-N 0 0 458.512 1.749 20 0 JDADRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccnc(-c3ccccn3)n2)C1 ZINC001471574439 1068881536 /nfs/dbraw/zinc/88/15/36/1068881536.db2.gz ZLKOEEDDZDOATN-MRXNPFEDSA-N 0 0 455.544 1.596 20 0 JDADRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CC2)C1 ZINC001471578271 1068881556 /nfs/dbraw/zinc/88/15/56/1068881556.db2.gz NHXCRAHNMAHHHV-WAAHFUDESA-N 0 0 451.612 1.874 20 0 JDADRN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC001471581069 1068881576 /nfs/dbraw/zinc/88/15/76/1068881576.db2.gz MODIGXKJMRXNJL-KRWDZBQOSA-N 0 0 457.531 1.862 20 0 JDADRN 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ZINC001471589476 1068882342 /nfs/dbraw/zinc/88/23/42/1068882342.db2.gz PSNWZLUCTIPGMV-UHFFFAOYSA-N 0 0 457.556 1.746 20 0 JDADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC001471591543 1068882519 /nfs/dbraw/zinc/88/25/19/1068882519.db2.gz VVBZENSUMDKFTP-SFHVURJKSA-N 0 0 450.605 1.848 20 0 JDADRN CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)N[C@H]2CCc3ncc(Br)n3C2)C1 ZINC001471593169 1068882525 /nfs/dbraw/zinc/88/25/25/1068882525.db2.gz HAKJSSOKBDSPBC-LBPRGKRZSA-N 0 0 458.357 1.632 20 0 JDADRN CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC001471595482 1068882776 /nfs/dbraw/zinc/88/27/76/1068882776.db2.gz OSWSGWIRUDHTNL-GOSISDBHSA-N 0 0 457.474 1.996 20 0 JDADRN CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)CCN4C)CC2)cc1 ZINC001471595374 1068882807 /nfs/dbraw/zinc/88/28/07/1068882807.db2.gz NPVFHHFSRWUWOO-UHFFFAOYSA-N 0 0 457.556 1.336 20 0 JDADRN CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC001471594783 1068882856 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ZINC001471642804 1068886932 /nfs/dbraw/zinc/88/69/32/1068886932.db2.gz GSWBVNAOSBUZSA-HSZRJFAPSA-N 0 0 457.552 1.580 20 0 JDADRN CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001471647440 1068887292 /nfs/dbraw/zinc/88/72/92/1068887292.db2.gz UJICWSKRDJMJDB-HOTGVXAUSA-N 0 0 455.437 1.821 20 0 JDADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)[C@@H]1c1ccccc1OC ZINC001471646283 1068887310 /nfs/dbraw/zinc/88/73/10/1068887310.db2.gz FKTCSFRFFLUHMQ-IPJJNNNSSA-N 0 0 455.559 1.972 20 0 JDADRN O=C(N[C@@H](CO)CC1OCCO1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001471650711 1068887786 /nfs/dbraw/zinc/88/77/86/1068887786.db2.gz GABATJFCZJRCST-CJNGLKHVSA-N 0 0 459.312 1.823 20 0 JDADRN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@H]2Cc3cccnc3NC2=O)cc1 ZINC001471655354 1068888235 /nfs/dbraw/zinc/88/82/35/1068888235.db2.gz UEWAOJQSWKPOKY-OALUTQOASA-N 0 0 456.524 1.507 20 0 JDADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@H]3Cc4cnccc4NC3=O)ccn2)CC1 ZINC001471655532 1068888750 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FQNZCMPYMPJUTP-KGLIPLIRSA-N 0 0 455.476 1.706 20 0 JDADRN CCOC(=O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1C(F)(F)F ZINC001471706545 1068893962 /nfs/dbraw/zinc/89/39/62/1068893962.db2.gz UBOQKMCLEZYRRN-HZPDHXFCSA-N 0 0 464.462 1.758 20 0 JDADRN COC(=O)[C@H](Cc1cncs1)NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001471711683 1068893973 /nfs/dbraw/zinc/89/39/73/1068893973.db2.gz QRZXHMBXPKKLKL-CABCVRRESA-N 0 0 454.549 1.107 20 0 JDADRN COC(=O)[C@H](Cc1cncs1)NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001471711684 1068893986 /nfs/dbraw/zinc/89/39/86/1068893986.db2.gz QRZXHMBXPKKLKL-GJZGRUSLSA-N 0 0 454.549 1.107 20 0 JDADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001471717695 1068894380 /nfs/dbraw/zinc/89/43/80/1068894380.db2.gz BDGYWXOMAQXKLC-YOGCLGLASA-N 0 0 455.385 1.744 20 0 JDADRN CONC(=O)C1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 ZINC001471716204 1068894420 /nfs/dbraw/zinc/89/44/20/1068894420.db2.gz VOYDVRXIMBXHBA-MRXNPFEDSA-N 0 0 450.540 1.770 20 0 JDADRN CONC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001471715796 1068894450 /nfs/dbraw/zinc/89/44/50/1068894450.db2.gz OPMCJPGCFPMNQP-HNNXBMFYSA-N 0 0 459.952 1.327 20 0 JDADRN CCOC(=O)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC12COC2 ZINC001471719040 1068894776 /nfs/dbraw/zinc/89/47/76/1068894776.db2.gz BACPVCWEQUFFBW-HXUWFJFHSA-N 0 0 458.536 1.817 20 0 JDADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H]3CS(=O)(=O)C[C@@H]3C1)C2=O ZINC001471722894 1068895331 /nfs/dbraw/zinc/89/53/31/1068895331.db2.gz KYBMVOSJFIEAJU-HRIHSXELSA-N 0 0 453.605 1.797 20 0 JDADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC001471727551 1068895832 /nfs/dbraw/zinc/89/58/32/1068895832.db2.gz CKBGDAJHURXINU-CRAIPNDOSA-N 0 0 453.630 1.897 20 0 JDADRN CS(=O)(=O)NC[C@H]1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)C1 ZINC001471728145 1068896163 /nfs/dbraw/zinc/89/61/63/1068896163.db2.gz HQRUCKXCTXLOMP-BZNIZROVSA-N 0 0 451.492 1.834 20 0 JDADRN CS(=O)(=O)NC[C@H]1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)C1 ZINC001471728144 1068896253 /nfs/dbraw/zinc/89/62/53/1068896253.db2.gz HQRUCKXCTXLOMP-BDJLRTHQSA-N 0 0 451.492 1.834 20 0 JDADRN COc1ccc(C[C@@](C)(CO)NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)cc1OC ZINC001471733546 1068896539 /nfs/dbraw/zinc/89/65/39/1068896539.db2.gz YFJLCMGDJPYZBH-QHCPKHFHSA-N 0 0 457.458 1.615 20 0 JDADRN CS(=O)(=O)NC[C@@H]1CCN(C(=O)CCOc2ccccc2I)C1 ZINC001471731165 1068896556 /nfs/dbraw/zinc/89/65/56/1068896556.db2.gz YLHGOPBNZYOETM-LBPRGKRZSA-N 0 0 452.314 1.458 20 0 JDADRN COc1ccc(C[C@@](C)(CO)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc1OC ZINC001471732356 1068896654 /nfs/dbraw/zinc/89/66/54/1068896654.db2.gz HQBNISGKNYFGRS-SBUREZEXSA-N 0 0 451.564 1.665 20 0 JDADRN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001471735976 1068897073 /nfs/dbraw/zinc/89/70/73/1068897073.db2.gz JMWFSBYHUFLSOT-PKOBYXMFSA-N 0 0 452.596 1.951 20 0 JDADRN CC(=O)C1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001471735116 1068897080 /nfs/dbraw/zinc/89/70/80/1068897080.db2.gz GEQPGXVAPKNIDK-XATQLNLPSA-N 0 0 456.586 1.208 20 0 JDADRN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001471735972 1068897147 /nfs/dbraw/zinc/89/71/47/1068897147.db2.gz JMWFSBYHUFLSOT-MJGOQNOKSA-N 0 0 452.596 1.951 20 0 JDADRN CC(=O)C1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001471735117 1068897184 /nfs/dbraw/zinc/89/71/84/1068897184.db2.gz GEQPGXVAPKNIDK-XZGNNNQISA-N 0 0 456.586 1.208 20 0 JDADRN COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)c1 ZINC001471742394 1068897550 /nfs/dbraw/zinc/89/75/50/1068897550.db2.gz HEYQUPMPEAZISG-QKFKETGDSA-N 0 0 451.479 1.879 20 0 JDADRN CN(CC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC001471738308 1068897558 /nfs/dbraw/zinc/89/75/58/1068897558.db2.gz FSAPGXRLUQDWOJ-OYHNWAKOSA-N 0 0 462.572 1.783 20 0 JDADRN 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CCOc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OC)ccc1OCC(=O)N1CCCCC1 ZINC001472550374 1069030010 /nfs/dbraw/zinc/03/00/10/1069030010.db2.gz UIWSPKRRQANIHW-SFHVURJKSA-N 0 0 458.515 1.645 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)CCO1 ZINC001499658117 1069030252 /nfs/dbraw/zinc/03/02/52/1069030252.db2.gz CYTSALHAWUZIDQ-NVXWUHKLSA-N 0 0 460.564 1.133 20 0 JDADRN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H](CO)CC1CCOCC1 ZINC001472553681 1069030759 /nfs/dbraw/zinc/03/07/59/1069030759.db2.gz NLVRUCDDMMFYJM-HIFRSBDPSA-N 0 0 452.495 1.914 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCCC2=O)C[C@@H](C)O1 ZINC001499658702 1069030972 /nfs/dbraw/zinc/03/09/72/1069030972.db2.gz HSYJATSXCQQLTE-FGTMMUONSA-N 0 0 470.640 1.685 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCCC2=O)C[C@@H](C)O1 ZINC001499658703 1069031032 /nfs/dbraw/zinc/03/10/32/1069031032.db2.gz HSYJATSXCQQLTE-KZNAEPCWSA-N 0 0 470.640 1.685 20 0 JDADRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NN3CCC(C(C)(C)C)CC3)c2)CC1 ZINC001472558334 1069031138 /nfs/dbraw/zinc/03/11/38/1069031138.db2.gz MVFBMQPWHJMCHG-UHFFFAOYSA-N 0 0 450.605 1.942 20 0 JDADRN CCOC(=O)c1cnc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1C ZINC001472556579 1069031281 /nfs/dbraw/zinc/03/12/81/1069031281.db2.gz AYUNTKKYUAXCKS-UHFFFAOYSA-N 0 0 450.395 1.412 20 0 JDADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)Br)cc1 ZINC001472559412 1069031344 /nfs/dbraw/zinc/03/13/44/1069031344.db2.gz OZGNCPQYWGBKMU-UHFFFAOYSA-N 0 0 456.309 1.551 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)C[C@@H](C)O1 ZINC001499658938 1069031630 /nfs/dbraw/zinc/03/16/30/1069031630.db2.gz JUMUBMQHWNMMKE-GJRWTSMGSA-N 0 0 457.622 1.861 20 0 JDADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC001472562560 1069032047 /nfs/dbraw/zinc/03/20/47/1069032047.db2.gz LZIDRXUDERKRKM-WIYYLYMNSA-N 0 0 474.583 1.878 20 0 JDADRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nc(CCO)cs2)CC1 ZINC001472567687 1069032097 /nfs/dbraw/zinc/03/20/97/1069032097.db2.gz JNJBBAQUSUHRNV-UHFFFAOYSA-N 0 0 453.542 1.504 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(OC)c2)CCO1 ZINC001499659256 1069032252 /nfs/dbraw/zinc/03/22/52/1069032252.db2.gz LFFJOVZDGLNCAI-IXDOHACOSA-N 0 0 467.592 1.980 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2cccc(OC)c2)CCO1 ZINC001499659260 1069032280 /nfs/dbraw/zinc/03/22/80/1069032280.db2.gz LFFJOVZDGLNCAI-YESZJQIVSA-N 0 0 467.592 1.980 20 0 JDADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOC[C@H](C3CCC3)C2)cc1 ZINC001472571077 1069032451 /nfs/dbraw/zinc/03/24/51/1069032451.db2.gz ALHDEYADPBLIMK-LJQANCHMSA-N 0 0 451.589 1.722 20 0 JDADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC)[C@@H](O)C(F)F)CC2)o1 ZINC001472573397 1069032469 /nfs/dbraw/zinc/03/24/69/1069032469.db2.gz AESXKJHUQTVCSD-IUODEOHRSA-N 0 0 452.476 1.378 20 0 JDADRN 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CCN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC001472571725 1069032799 /nfs/dbraw/zinc/03/27/99/1069032799.db2.gz CQJCUXGGXISRBM-UHFFFAOYSA-N 0 0 456.996 1.409 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC001499660835 1069033531 /nfs/dbraw/zinc/03/35/31/1069033531.db2.gz QAYXTRXFWAVFRT-DFQSSKMNSA-N 0 0 462.620 1.484 20 0 JDADRN CC(C)n1[nH]cnc1=NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC001472577640 1069033696 /nfs/dbraw/zinc/03/36/96/1069033696.db2.gz OYNSNTRDZPDUSB-MRXNPFEDSA-N 0 0 455.544 1.956 20 0 JDADRN NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001472578504 1069034235 /nfs/dbraw/zinc/03/42/35/1069034235.db2.gz DERRJWFNERAYPU-RBUKOAKNSA-N 0 0 456.474 1.608 20 0 JDADRN O=C(CCC(=O)N1CCc2nccc(Br)c2C1)N1CCN(c2ncccn2)CC1 ZINC001472581400 1069034272 /nfs/dbraw/zinc/03/42/72/1069034272.db2.gz ASIUJKCKVVQLHC-UHFFFAOYSA-N 0 0 459.348 1.648 20 0 JDADRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC001472583199 1069034816 /nfs/dbraw/zinc/03/48/16/1069034816.db2.gz YPRZKIKXFKXHGP-UHFFFAOYSA-N 0 0 450.605 1.901 20 0 JDADRN CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCc3nccc(Br)c3C2)C(=O)C1 ZINC001472581523 1069034851 /nfs/dbraw/zinc/03/48/51/1069034851.db2.gz CPTPRMQAMQFSCP-UHFFFAOYSA-N 0 0 453.337 1.808 20 0 JDADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC001472588732 1069035534 /nfs/dbraw/zinc/03/55/34/1069035534.db2.gz HZCWBXUACIQNSO-OAHLLOKOSA-N 0 0 455.577 1.541 20 0 JDADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001546193028 1069035541 /nfs/dbraw/zinc/03/55/41/1069035541.db2.gz YRYQUWBMKYUNHT-NHYWBVRUSA-N 0 0 457.350 1.786 20 0 JDADRN COC(=O)c1ccc(CN(C)C(=O)CNS(=O)(=O)c2ccc(Br)cc2)nc1 ZINC001472587090 1069035542 /nfs/dbraw/zinc/03/55/42/1069035542.db2.gz HXIMMRZONVGYTB-UHFFFAOYSA-N 0 0 456.318 1.568 20 0 JDADRN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001472588845 1069035573 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CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)cc1C ZINC001475610907 1069504912 /nfs/dbraw/zinc/50/49/12/1069504912.db2.gz NAUKOSMDZYTGJX-UHFFFAOYSA-N 0 0 457.530 1.246 20 0 JDADRN Cn1ncc(I)c1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC001475611370 1069504933 /nfs/dbraw/zinc/50/49/33/1069504933.db2.gz NTMSVRSDIXPZCX-UHFFFAOYSA-N 0 0 451.677 1.804 20 0 JDADRN CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001501393091 1069505170 /nfs/dbraw/zinc/50/51/70/1069505170.db2.gz HKPWRMNSFMLYPX-OAHLLOKOSA-N 0 0 482.582 1.554 20 0 JDADRN CC(C)n1cc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cn1 ZINC001475613782 1069506123 /nfs/dbraw/zinc/50/61/23/1069506123.db2.gz YYMZVBBGGYGLTM-OIISXLGYSA-N 0 0 469.564 1.667 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cc(C)on1 ZINC001501397133 1069506249 /nfs/dbraw/zinc/50/62/49/1069506249.db2.gz BLCQSRKFNCUCOJ-UHFFFAOYSA-N 0 0 475.575 1.607 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001501397139 1069506261 /nfs/dbraw/zinc/50/62/61/1069506261.db2.gz BTWPOGVEDJSZBV-INIZCTEOSA-N 0 0 463.560 1.216 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001501397135 1069506436 /nfs/dbraw/zinc/50/64/36/1069506436.db2.gz BMNLZBJWOMWSMJ-UHFFFAOYSA-N 0 0 463.560 1.216 20 0 JDADRN NC(=O)c1cc(S(=O)(=O)N2C[C@H](O)CC3(CCOCC3)C2)c(Br)cc1F ZINC001475616185 1069506657 /nfs/dbraw/zinc/50/66/57/1069506657.db2.gz SFQOEXCHVDAGIO-SNVBAGLBSA-N 0 0 451.314 1.239 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001501397321 1069506790 /nfs/dbraw/zinc/50/67/90/1069506790.db2.gz DYGBTKYDZCZZBQ-UHFFFAOYSA-N 0 0 496.544 1.320 20 0 JDADRN COC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C1 ZINC001475618272 1069506950 /nfs/dbraw/zinc/50/69/50/1069506950.db2.gz QCWZTEWHZMKQAR-CYBMUJFWSA-N 0 0 457.140 1.819 20 0 JDADRN Cc1ccc(S(=O)(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1N(C)C ZINC001475618039 1069506981 /nfs/dbraw/zinc/50/69/81/1069506981.db2.gz LYRLULKSNWKZRZ-UHFFFAOYSA-N 0 0 450.565 1.923 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001501397302 1069507157 /nfs/dbraw/zinc/50/71/57/1069507157.db2.gz DLMPKVFXSXFLAC-GFCCVEGCSA-N 0 0 475.413 1.773 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCCS(C)(=O)=O ZINC001501397589 1069507606 /nfs/dbraw/zinc/50/76/06/1069507606.db2.gz IUXCPPDWGAUMCV-UHFFFAOYSA-N 0 0 459.576 1.684 20 0 JDADRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC001475620927 1069507569 /nfs/dbraw/zinc/50/75/69/1069507569.db2.gz VDYMSSGGSOQKHB-HNNXBMFYSA-N 0 0 455.487 1.235 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001501401081 1069510317 /nfs/dbraw/zinc/51/03/17/1069510317.db2.gz GEECMWKCWQOGAQ-HOCLYGCPSA-N 0 0 461.364 1.901 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001501397518 1069507697 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COSCKNKWOWQKBA-OAQYLSRUSA-N 0 0 452.504 1.655 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001501398598 1069509119 /nfs/dbraw/zinc/50/91/19/1069509119.db2.gz VRNJLCBHRQKVRO-UHFFFAOYSA-N 0 0 491.543 1.425 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001501398602 1069509133 /nfs/dbraw/zinc/50/91/33/1069509133.db2.gz VSTXMGIFLUBYOW-HNNXBMFYSA-N 0 0 480.411 1.877 20 0 JDADRN COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001475627731 1069508979 /nfs/dbraw/zinc/50/89/79/1069508979.db2.gz AHMHCLBBSPNNMZ-HNNXBMFYSA-N 0 0 452.501 1.433 20 0 JDADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)N2CCN(C)CC2)cc1 ZINC001475627239 1069509060 /nfs/dbraw/zinc/50/90/60/1069509060.db2.gz HSTSKMGKXMEYFV-IBGZPJMESA-N 0 0 454.593 1.781 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001501401044 1069510362 /nfs/dbraw/zinc/51/03/62/1069510362.db2.gz DVENOKXFONXGMC-GDBMZVCRSA-N 0 0 480.363 1.546 20 0 JDADRN CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(S(=O)(=O)CCCS(C)(=O)=O)C2 ZINC001475630677 1069509670 /nfs/dbraw/zinc/50/96/70/1069509670.db2.gz AYUAJRUGWOOHOF-UHFFFAOYSA-N 0 0 453.608 1.290 20 0 JDADRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)Cc3cc(F)ccc3OC)CC2)cc1 ZINC001475630012 1069509731 /nfs/dbraw/zinc/50/97/31/1069509731.db2.gz LMQDOKYZUMPSTM-UHFFFAOYSA-N 0 0 457.549 1.394 20 0 JDADRN COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1(F)F ZINC001475632218 1069509827 /nfs/dbraw/zinc/50/98/27/1069509827.db2.gz GIGMLLNDIOOAOM-OMNBBPDLSA-N 0 0 480.555 1.686 20 0 JDADRN CCN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001501398824 1069509811 /nfs/dbraw/zinc/50/98/11/1069509811.db2.gz ZEJPUMJRBMVFOY-CQSZACIVSA-N 0 0 479.339 1.783 20 0 JDADRN O=S(=O)(NCC[C@H]1CCCS1(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001475629632 1069509855 /nfs/dbraw/zinc/50/98/55/1069509855.db2.gz AOEGGTPPWWZSMN-OAHLLOKOSA-N 0 0 450.604 1.107 20 0 JDADRN COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)C1(F)F ZINC001475632219 1069509915 /nfs/dbraw/zinc/50/99/15/1069509915.db2.gz GIGMLLNDIOOAOM-PYTWLRIVSA-N 0 0 480.555 1.686 20 0 JDADRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCc3ccc(OC)cc3)CC2)cc1 ZINC001475629915 1069509951 /nfs/dbraw/zinc/50/99/51/1069509951.db2.gz JDRHCLCJZRFDDJ-UHFFFAOYSA-N 0 0 453.586 1.298 20 0 JDADRN CCN(C)C(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001501393477 1069505790 /nfs/dbraw/zinc/50/57/90/1069505790.db2.gz NPRJWHCOUFLNTH-QGZVFWFLSA-N 0 0 476.553 1.582 20 0 JDADRN COC1(c2nccn2C)CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 ZINC001475638293 1069510959 /nfs/dbraw/zinc/51/09/59/1069510959.db2.gz PUSNZRSNTPMGOV-UHFFFAOYSA-N 0 0 455.338 1.552 20 0 JDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(O)(c3ccnn3C)CC2)c1 ZINC001475636334 1069510976 /nfs/dbraw/zinc/51/09/76/1069510976.db2.gz HWBROTRTPFOUBN-UHFFFAOYSA-N 0 0 456.590 1.123 20 0 JDADRN 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CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(F)cc2)c1=O ZINC001502233307 1069892474 /nfs/dbraw/zinc/89/24/74/1069892474.db2.gz UYMFGCYODOVINS-HNNXBMFYSA-N 0 0 462.551 1.894 20 0 JDADRN CCn1cccc(Cn2c(C(C)C)nnc2N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1=O ZINC001502233378 1069892913 /nfs/dbraw/zinc/89/29/13/1069892913.db2.gz WUVOVMISZLGFRK-IBGZPJMESA-N 0 0 480.635 1.508 20 0 JDADRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)(C)C)C2)c1=O ZINC001502233407 1069892963 /nfs/dbraw/zinc/89/29/63/1069892963.db2.gz XMZKVRFRHSGUBA-WBVHZDCISA-N 0 0 450.609 1.991 20 0 JDADRN CCn1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)c1=O ZINC001502236067 1069896377 /nfs/dbraw/zinc/89/63/77/1069896377.db2.gz GVQUPGCHNXDRLT-UHFFFAOYSA-N 0 0 499.641 1.744 20 0 JDADRN CCn1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)c1=O ZINC001502236263 1069896386 /nfs/dbraw/zinc/89/63/86/1069896386.db2.gz NEHLZJJORVCSPZ-UHFFFAOYSA-N 0 0 485.614 1.402 20 0 JDADRN COc1ccc(C(=O)N2CCN(C(=O)NCCNC(=O)C(C)(C)C)CC2)c(OC)c1OC ZINC001478053399 1069893363 /nfs/dbraw/zinc/89/33/63/1069893363.db2.gz GPIMNJAOOBNCSL-UHFFFAOYSA-N 0 0 450.536 1.342 20 0 JDADRN CCn1cccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)c1=O ZINC001502233500 1069893339 /nfs/dbraw/zinc/89/33/39/1069893339.db2.gz ZYMNPEWUIMMVSD-XMMPIXPASA-N 0 0 466.542 1.894 20 0 JDADRN CCn1cccc(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCNS(C)(=O)=O)c1=O ZINC001502234145 1069893764 /nfs/dbraw/zinc/89/37/64/1069893764.db2.gz XADOINKHPJQIDA-UHFFFAOYSA-N 0 0 464.979 1.814 20 0 JDADRN CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)c1=O ZINC001502234314 1069893788 /nfs/dbraw/zinc/89/37/88/1069893788.db2.gz CVGHFVVWUBSRDH-AWEZNQCLSA-N 0 0 454.453 1.353 20 0 JDADRN CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1=O ZINC001502234244 1069893859 /nfs/dbraw/zinc/89/38/59/1069893859.db2.gz AFILHIBIAQPMFU-GOSISDBHSA-N 0 0 455.563 1.154 20 0 JDADRN NC(=O)COc1cccc(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1 ZINC001478060045 1069893858 /nfs/dbraw/zinc/89/38/58/1069893858.db2.gz HSNTZYIZWHDLTK-MRXNPFEDSA-N 0 0 450.333 1.964 20 0 JDADRN CC[C@H](NC(=O)NC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 ZINC001478087248 1069896490 /nfs/dbraw/zinc/89/64/90/1069896490.db2.gz OSHYBBMJRFGELS-KRWDZBQOSA-N 0 0 456.584 1.729 20 0 JDADRN CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)c1=O ZINC001502234478 1069894123 /nfs/dbraw/zinc/89/41/23/1069894123.db2.gz JCSARRNSFJIAQF-INIZCTEOSA-N 0 0 467.496 1.534 20 0 JDADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N1CCN(C(=O)C(OC)OC)CC1 ZINC001478071883 1069894200 /nfs/dbraw/zinc/89/42/00/1069894200.db2.gz OQVNPROQYPCWAN-UHFFFAOYSA-N 0 0 456.927 1.458 20 0 JDADRN CCn1cccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1=O ZINC001502234725 1069894233 /nfs/dbraw/zinc/89/42/33/1069894233.db2.gz QXCDUFWYYNFTSU-QGZVFWFLSA-N 0 0 457.556 1.807 20 0 JDADRN CCn1cccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ncnn2CC(F)F)c1=O ZINC001502236143 1069896553 /nfs/dbraw/zinc/89/65/53/1069896553.db2.gz JPQWGGQXKVRJRC-UHFFFAOYSA-N 0 0 469.500 1.987 20 0 JDADRN CCn1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(OCC(N)=O)CC2)c1=O ZINC001502234987 1069894549 /nfs/dbraw/zinc/89/45/49/1069894549.db2.gz ZCOXNNYAGXVZMR-UHFFFAOYSA-N 0 0 451.531 1.349 20 0 JDADRN CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)c1=O ZINC001502234899 1069894558 /nfs/dbraw/zinc/89/45/58/1069894558.db2.gz WPNGQMXRUPGUPH-HNNXBMFYSA-N 0 0 478.479 1.848 20 0 JDADRN CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1=O ZINC001502234909 1069894570 /nfs/dbraw/zinc/89/45/70/1069894570.db2.gz WXQGCIMCHUOFAJ-QZTJIDSGSA-N 0 0 485.589 1.905 20 0 JDADRN CCn1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(=O)NCCOC)CC2)c1=O ZINC001502234973 1069894593 /nfs/dbraw/zinc/89/45/93/1069894593.db2.gz YRFPBXSUYVVTOJ-HXUWFJFHSA-N 0 0 472.590 1.729 20 0 JDADRN COc1ccc(C[C@H](CO)CNC(=O)NCc2cc(F)ccc2CS(C)(=O)=O)cc1O ZINC001478076938 1069894799 /nfs/dbraw/zinc/89/47/99/1069894799.db2.gz YELABLYNHFITQV-HNNXBMFYSA-N 0 0 454.520 1.735 20 0 JDADRN COC[C@@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)c1ccco1 ZINC001478073691 1069894844 /nfs/dbraw/zinc/89/48/44/1069894844.db2.gz UYBCVHLLLSILLN-CYBMUJFWSA-N 0 0 457.272 1.894 20 0 JDADRN CCn1cccc(Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](C(N)=O)C2)c1=O ZINC001502235346 1069894948 /nfs/dbraw/zinc/89/49/48/1069894948.db2.gz KXAHULIRZTYUFU-GOSISDBHSA-N 0 0 450.543 1.809 20 0 JDADRN COC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001478091594 1069896816 /nfs/dbraw/zinc/89/68/16/1069896816.db2.gz NRHBKCRYVMXVDH-GOSISDBHSA-N 0 0 457.556 1.837 20 0 JDADRN CCn1cccc(Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N3CCCCC3)CC2)c1=O ZINC001502235421 1069895056 /nfs/dbraw/zinc/89/50/56/1069895056.db2.gz NMHJKIFQFKSBTK-UHFFFAOYSA-N 0 0 469.634 1.841 20 0 JDADRN C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H](O)c1c(Cl)cccc1Cl ZINC001478081778 1069895242 /nfs/dbraw/zinc/89/52/42/1069895242.db2.gz JWTBXDKJVYLFII-BONVTDFDSA-N 0 0 451.332 1.822 20 0 JDADRN CCn1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSC(C)(C)C2)c1=O ZINC001502235873 1069896009 /nfs/dbraw/zinc/89/60/09/1069896009.db2.gz ZUXYIEZFHXGBHM-KRWDZBQOSA-N 0 0 496.659 1.173 20 0 JDADRN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC001478092774 1069896830 /nfs/dbraw/zinc/89/68/30/1069896830.db2.gz AIBOOMWGLALOME-ORBZYBPHSA-N 0 0 451.886 1.604 20 0 JDADRN CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001478093146 1069897150 /nfs/dbraw/zinc/89/71/50/1069897150.db2.gz HMKOMBVHLGIOCP-VFNWGFHPSA-N 0 0 455.556 1.232 20 0 JDADRN CC(C)(C)OC(=O)N1CC(NC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001478093270 1069897160 /nfs/dbraw/zinc/89/71/60/1069897160.db2.gz ALWGRRVZCFBZSV-KRWDZBQOSA-N 0 0 453.584 1.942 20 0 JDADRN C[C@H](NC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001478094753 1069897214 /nfs/dbraw/zinc/89/72/14/1069897214.db2.gz WKESRDHAVLOJOD-PBPSECFOSA-N 0 0 456.547 1.634 20 0 JDADRN 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CCn1cccc(Cn2c(N3CC[C@@H](C(=O)OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1=O ZINC001502236952 1069897379 /nfs/dbraw/zinc/89/73/79/1069897379.db2.gz MQKBJOAJBQBXIO-WZONZLPQSA-N 0 0 459.547 1.548 20 0 JDADRN CCn1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C(N)=O)CC2)c1=O ZINC001502237176 1069897565 /nfs/dbraw/zinc/89/75/65/1069897565.db2.gz ULWGXRRGEFELKI-KDURUIRLSA-N 0 0 499.616 1.980 20 0 JDADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001502237127 1069897611 /nfs/dbraw/zinc/89/76/11/1069897611.db2.gz SCKAQLURZAUXFM-UHFFFAOYSA-N 0 0 457.583 1.305 20 0 JDADRN CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)C1CCOCC1 ZINC001478100336 1069897678 /nfs/dbraw/zinc/89/76/78/1069897678.db2.gz DNYLITVSCGHIJF-GOSISDBHSA-N 0 0 455.577 1.925 20 0 JDADRN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001502237265 1069897683 /nfs/dbraw/zinc/89/76/83/1069897683.db2.gz XCSJDMXHUUPMTB-UHFFFAOYSA-N 0 0 479.589 1.817 20 0 JDADRN 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455.563 1.751 20 0 JDADRN Cc1noc([C@@H](C)N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(C)C)CC2)n1 ZINC001492979323 1070179603 /nfs/dbraw/zinc/17/96/03/1070179603.db2.gz WOWCADSQHSWBGN-HUUCEWRRSA-N 0 0 454.601 1.509 20 0 JDADRN Cc1noc([C@H](C)N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(=O)NC(C)(C)C)CC2)n1 ZINC001492979277 1070180053 /nfs/dbraw/zinc/18/00/53/1070180053.db2.gz WGTWUDDWUAWCIE-HOCLYGCPSA-N 0 0 473.582 1.109 20 0 JDADRN Cc1noc(C)c1[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001492993984 1070181880 /nfs/dbraw/zinc/18/18/80/1070181880.db2.gz WUGHHUQQNBFMNL-CZUORRHYSA-N 0 0 485.632 1.602 20 0 JDADRN Cc1noc(C)c1[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001492993983 1070182000 /nfs/dbraw/zinc/18/20/00/1070182000.db2.gz WUGHHUQQNBFMNL-CJNGLKHVSA-N 0 0 485.632 1.602 20 0 JDADRN Cc1noc(C)c1[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C ZINC001492989029 1070182158 /nfs/dbraw/zinc/18/21/58/1070182158.db2.gz GHNHCHHUJQUMPV-CKEIUWERSA-N 0 0 484.648 1.961 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Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001493018850 1070187850 /nfs/dbraw/zinc/18/78/50/1070187850.db2.gz GSKLNCJSOZWSTC-NBQZKYEYSA-N 0 0 468.580 1.468 20 0 JDADRN Cc1noc(C)c1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001493011370 1070186119 /nfs/dbraw/zinc/18/61/19/1070186119.db2.gz VTJDQDCSOIKAKU-KRWDZBQOSA-N 0 0 464.592 1.510 20 0 JDADRN Cc1noc(C)c1CCn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001493007932 1070186209 /nfs/dbraw/zinc/18/62/09/1070186209.db2.gz HTRFPXGGNSQDJP-UHFFFAOYSA-N 0 0 459.576 1.953 20 0 JDADRN Cc1noc(C)c1CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001493007862 1070186473 /nfs/dbraw/zinc/18/64/73/1070186473.db2.gz HCLLRFDGCYULET-UHFFFAOYSA-N 0 0 453.551 1.229 20 0 JDADRN CCN1CCN(C2CCN(c3nnc(C4CCCC4)n3CCCNS(C)(=O)=O)CC2)C1=O ZINC001502334594 1070187386 /nfs/dbraw/zinc/18/73/86/1070187386.db2.gz LHKCZSFERLTEHH-UHFFFAOYSA-N 0 0 467.640 1.601 20 0 JDADRN Cc1noc(C)c1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001493015011 1070187574 /nfs/dbraw/zinc/18/75/74/1070187574.db2.gz FBAKGMYKVIKGRQ-UHFFFAOYSA-N 0 0 487.586 1.412 20 0 JDADRN Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 ZINC001493033573 1070188732 /nfs/dbraw/zinc/18/87/32/1070188732.db2.gz ATDYISANMWZZMB-GOSISDBHSA-N 0 0 466.608 1.534 20 0 JDADRN CCN1CCN(C2CCN(c3nnc(C4CCCC4)n3CCS(=O)(=O)NC)CC2)C1=O ZINC001502334782 1070189930 /nfs/dbraw/zinc/18/99/30/1070189930.db2.gz QNMZCYBJSJAJKR-UHFFFAOYSA-N 0 0 453.613 1.211 20 0 JDADRN Cc1noc(C)c1CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C ZINC001493036156 1070190371 /nfs/dbraw/zinc/19/03/71/1070190371.db2.gz QOTNDBWSXWEDOQ-DHUIEDIVSA-N 0 0 482.607 1.403 20 0 JDADRN Cc1noc(C)c1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C ZINC001493036993 1070191130 /nfs/dbraw/zinc/19/11/30/1070191130.db2.gz XKARISKVSGXZQD-KRWDZBQOSA-N 0 0 466.608 1.532 20 0 JDADRN Cc1noc(C)c1CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O ZINC001493036272 1070192059 /nfs/dbraw/zinc/19/20/59/1070192059.db2.gz SSAFQCAVNLBOID-SFHVURJKSA-N 0 0 462.532 1.581 20 0 JDADRN Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 ZINC001493061077 1070198018 /nfs/dbraw/zinc/19/80/18/1070198018.db2.gz WVFMTRJFVLLHPC-LJQANCHMSA-N 0 0 482.607 1.253 20 0 JDADRN Cc1noc(C)c1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O ZINC001493067611 1070198128 /nfs/dbraw/zinc/19/81/28/1070198128.db2.gz UQKDGQFVOUEJPI-UHFFFAOYSA-N 0 0 458.548 1.155 20 0 JDADRN Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001493061424 1070198166 /nfs/dbraw/zinc/19/81/66/1070198166.db2.gz YHAUGKMXBCISAK-HOCLYGCPSA-N 0 0 474.534 1.746 20 0 JDADRN Cc1noc(C)c1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O ZINC001493044142 1070193587 /nfs/dbraw/zinc/19/35/87/1070193587.db2.gz RTWQGGYTTSOKOT-UHFFFAOYSA-N 0 0 493.615 1.546 20 0 JDADRN CCN1CCN(C2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccn[nH]3)CC2)C1=O ZINC001502335289 1070193880 /nfs/dbraw/zinc/19/38/80/1070193880.db2.gz 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0 JDADRN Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001493053387 1070195775 /nfs/dbraw/zinc/19/57/75/1070195775.db2.gz RZVQRJZNKMCJAZ-LLVKDONJSA-N 0 0 478.497 1.889 20 0 JDADRN Cc1noc(C)c1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001493059677 1070197100 /nfs/dbraw/zinc/19/71/00/1070197100.db2.gz JEMIYCWJMHAUSN-FUHWJXTLSA-N 0 0 452.581 1.938 20 0 JDADRN Cc1noc(C)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001493061354 1070198419 /nfs/dbraw/zinc/19/84/19/1070198419.db2.gz XIXSPUCYIANUFA-DLBZAZTESA-N 0 0 452.581 1.591 20 0 JDADRN Cc1noc(C2(C)CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC3CCOCC3)CC2)n1 ZINC001493068663 1070199000 /nfs/dbraw/zinc/19/90/00/1070199000.db2.gz GWEKUFXFERMZHB-HNNXBMFYSA-N 0 0 481.623 1.955 20 0 JDADRN Cc1noc(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3([S@](C)=O)CCC3)CC2)n1 ZINC001493089921 1070203401 /nfs/dbraw/zinc/20/34/01/1070203401.db2.gz LUBFNAKLCUQLIW-QJCAQRTLSA-N 0 0 485.636 1.265 20 0 JDADRN Cc1noc(C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CC=CCO3)CC2)n1 ZINC001493090305 1070203509 /nfs/dbraw/zinc/20/35/09/1070203509.db2.gz RKJGPCCVLFVXCV-BBRMVZONSA-N 0 0 451.553 1.309 20 0 JDADRN Cc1noc(C2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3C[C@](C)(O)C(C)C)CC2)n1 ZINC001493089416 1070203542 /nfs/dbraw/zinc/20/35/42/1070203542.db2.gz DEQIQQRYHGAGNN-UZLBHIALSA-N 0 0 452.581 1.663 20 0 JDADRN Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCOCC3(C)C)CC2)n1 ZINC001493068860 1070199286 /nfs/dbraw/zinc/19/92/86/1070199286.db2.gz MSNREAIGYDWZJN-UHFFFAOYSA-N 0 0 474.610 1.777 20 0 JDADRN Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@H](C(F)F)N3CCOCC3)CC2)n1 ZINC001493076923 1070200152 /nfs/dbraw/zinc/20/01/52/1070200152.db2.gz CMSWKHJZLQJDAW-QGZVFWFLSA-N 0 0 496.563 1.848 20 0 JDADRN Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@@H](C(F)F)N3CCOCC3)CC2)n1 ZINC001493076922 1070200420 /nfs/dbraw/zinc/20/04/20/1070200420.db2.gz CMSWKHJZLQJDAW-KRWDZBQOSA-N 0 0 496.563 1.848 20 0 JDADRN Cc1noc(C2(C)CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(O)cc3)CC2)n1 ZINC001493069185 1070200454 /nfs/dbraw/zinc/20/04/54/1070200454.db2.gz RNBSQNSADSOKQN-AWEZNQCLSA-N 0 0 475.575 1.892 20 0 JDADRN CCN1CCN(C2CCN(c3nnc([C@@H]4CCOC4)n3CCC(=O)NC(C)(C)C)CC2)C1=O ZINC001502336337 1070200565 /nfs/dbraw/zinc/20/05/65/1070200565.db2.gz YADPLHJVOLINLF-QGZVFWFLSA-N 0 0 461.611 1.813 20 0 JDADRN Cc1noc([C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)NC(C)C)C2)n1 ZINC001493079299 1070201172 /nfs/dbraw/zinc/20/11/72/1070201172.db2.gz RGKVJCBMUXXSCS-CVEARBPZSA-N 0 0 453.569 1.185 20 0 JDADRN CCN1CCN(C2CCN(c3nnc([C@H]4CCOC4)n3CCC(=O)NC(C)(C)C)CC2)C1=O ZINC001502336335 1070201287 /nfs/dbraw/zinc/20/12/87/1070201287.db2.gz YADPLHJVOLINLF-KRWDZBQOSA-N 0 0 461.611 1.813 20 0 JDADRN Cc1noc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCS(=O)(=O)N(C)C)C2)n1 ZINC001493078558 1070201299 /nfs/dbraw/zinc/20/12/99/1070201299.db2.gz MLWWJGJWJPQDJE-OAHLLOKOSA-N 0 0 480.982 1.960 20 0 JDADRN 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CCOC(=O)N1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001502493936 1070609764 /nfs/dbraw/zinc/60/97/64/1070609764.db2.gz KGIXZKDUGQGAGD-GBXCKJPGSA-N 0 0 494.637 1.566 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001502494027 1070610523 /nfs/dbraw/zinc/61/05/23/1070610523.db2.gz MXJOYNFHGGKBGX-YADHBBJMSA-N 0 0 464.567 1.076 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001502493939 1070610580 /nfs/dbraw/zinc/61/05/80/1070610580.db2.gz KGIXZKDUGQGAGD-YKSBVNFPSA-N 0 0 494.637 1.566 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001502494072 1070611260 /nfs/dbraw/zinc/61/12/60/1070611260.db2.gz OWPPIFREHOTOEU-KRWDZBQOSA-N 0 0 471.518 1.220 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001502494294 1070611430 /nfs/dbraw/zinc/61/14/30/1070611430.db2.gz VDVMFFJKEAYWLW-ORAYPTAESA-N 0 0 483.367 1.854 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCC2)CC1 ZINC001502494426 1070612147 /nfs/dbraw/zinc/61/21/47/1070612147.db2.gz WYORUUZNCRYVLH-QFIPXVFZSA-N 0 0 451.568 1.902 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCS(C)(=O)=O)CC1 ZINC001502497119 1070613068 /nfs/dbraw/zinc/61/30/68/1070613068.db2.gz KMIIKOKJRJPPNY-UHFFFAOYSA-N 0 0 485.994 1.938 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCOCCS(C)(=O)=O)CC1 ZINC001502495540 1070613139 /nfs/dbraw/zinc/61/31/39/1070613139.db2.gz LKBYYCVANGLHMK-UHFFFAOYSA-N 0 0 455.537 1.186 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001502497017 1070613256 /nfs/dbraw/zinc/61/32/56/1070613256.db2.gz GRJRTPQTYUWNSJ-UHFFFAOYSA-N 0 0 494.618 1.904 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)CC)CC1 ZINC001502497234 1070614140 /nfs/dbraw/zinc/61/41/40/1070614140.db2.gz ODMJDAWMOQMJLU-YTTGMZPUSA-N 0 0 463.560 1.763 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CCOC)CC1 ZINC001502497326 1070614503 /nfs/dbraw/zinc/61/45/03/1070614503.db2.gz RTABSJADBDIUAU-QHCPKHFHSA-N 0 0 475.546 1.782 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 ZINC001502498782 1070615256 /nfs/dbraw/zinc/61/52/56/1070615256.db2.gz JSMOYQUGHYIZOF-UHFFFAOYSA-N 0 0 485.570 1.575 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(=O)NC(C)C)CC1 ZINC001502498994 1070615263 /nfs/dbraw/zinc/61/52/63/1070615263.db2.gz RTPDEATXOMKSBA-UHFFFAOYSA-N 0 0 468.518 1.397 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001502498778 1070615275 /nfs/dbraw/zinc/61/52/75/1070615275.db2.gz JPMISIFSUKVQGG-UHFFFAOYSA-N 0 0 473.559 1.442 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001502498769 1070615289 /nfs/dbraw/zinc/61/52/89/1070615289.db2.gz JNEVJDKKEOMOEP-UHFFFAOYSA-N 0 0 453.569 1.223 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001502500423 1070616174 /nfs/dbraw/zinc/61/61/74/1070616174.db2.gz IOHSJONLFNCTLF-QGZVFWFLSA-N 0 0 475.550 1.859 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001502500303 1070616200 /nfs/dbraw/zinc/61/62/00/1070616200.db2.gz FZIVTMJWIOSVAH-CQSZACIVSA-N 0 0 484.483 1.981 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001502500647 1070616905 /nfs/dbraw/zinc/61/69/05/1070616905.db2.gz NXNJFBYGDMTOIS-MRXNPFEDSA-N 0 0 487.527 1.782 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001502500790 1070617151 /nfs/dbraw/zinc/61/71/51/1070617151.db2.gz RHHXJGKNEUWKIG-SFHVURJKSA-N 0 0 484.561 1.650 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccs2)CC1 ZINC001502502792 1070621207 /nfs/dbraw/zinc/62/12/07/1070621207.db2.gz QXYDNVMEVLPVMS-OAHLLOKOSA-N 0 0 453.590 1.763 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001502500907 1070617932 /nfs/dbraw/zinc/61/79/32/1070617932.db2.gz UPKVPQJCSXLURJ-ZWKOTPCHSA-N 0 0 464.567 1.293 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001502500871 1070618162 /nfs/dbraw/zinc/61/81/62/1070618162.db2.gz SZDFAGWJTDLVTG-MGPUTAFESA-N 0 0 483.616 1.428 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001502500920 1070618210 /nfs/dbraw/zinc/61/82/10/1070618210.db2.gz UTMPTXCCCXZSAD-MRXNPFEDSA-N 0 0 461.567 1.803 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001502500905 1070618313 /nfs/dbraw/zinc/61/83/13/1070618313.db2.gz UPKVPQJCSXLURJ-QZTJIDSGSA-N 0 0 464.567 1.293 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)CC1 ZINC001502502202 1070619137 /nfs/dbraw/zinc/61/91/37/1070619137.db2.gz FKBJVQNRJQNNER-GOSISDBHSA-N 0 0 498.650 1.716 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001502500985 1070619152 /nfs/dbraw/zinc/61/91/52/1070619152.db2.gz WXHLHTCTSQGXNK-RBUKOAKNSA-N 0 0 451.568 1.894 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001502502310 1070619214 /nfs/dbraw/zinc/61/92/14/1070619214.db2.gz IJBXQERTNHGXIF-LJQANCHMSA-N 0 0 490.630 1.767 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001502502309 1070619222 /nfs/dbraw/zinc/61/92/22/1070619222.db2.gz IJBXQERTNHGXIF-IBGZPJMESA-N 0 0 490.630 1.767 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CC1 ZINC001502502534 1070620355 /nfs/dbraw/zinc/62/03/55/1070620355.db2.gz OBDMUFQIJPPJLD-GOSISDBHSA-N 0 0 477.587 1.928 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)CC1 ZINC001502502641 1070620823 /nfs/dbraw/zinc/62/08/23/1070620823.db2.gz PTOFNHKSXBBAFF-AWEZNQCLSA-N 0 0 454.578 1.158 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CC1 ZINC001502502922 1070622071 /nfs/dbraw/zinc/62/20/71/1070622071.db2.gz UXOYJDWOTPBBHL-CQSZACIVSA-N 0 0 469.514 1.785 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001502504291 1070622943 /nfs/dbraw/zinc/62/29/43/1070622943.db2.gz RVOLLGDSPKUWPQ-LJQANCHMSA-N 0 0 493.559 1.898 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001502503903 1070623144 /nfs/dbraw/zinc/62/31/44/1070623144.db2.gz CGCIFMFIDZGJLD-UHFFFAOYSA-N 0 0 455.544 1.751 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2CCS(C)(=O)=O)CC1 ZINC001502504069 1070623222 /nfs/dbraw/zinc/62/32/22/1070623222.db2.gz JFWIQPRQDZCBGB-UHFFFAOYSA-N 0 0 451.549 1.201 20 0 JDADRN C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)C[C@H](C)O1 ZINC001494530185 1070623600 /nfs/dbraw/zinc/62/36/00/1070623600.db2.gz NIJVOGMOPYHHLG-FCGDIQPGSA-N 0 0 469.652 1.683 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001502504398 1070624174 /nfs/dbraw/zinc/62/41/74/1070624174.db2.gz WPXFPXANKFYONA-FQEVSTJZSA-N 0 0 458.563 1.986 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC)CC1 ZINC001502506469 1070626746 /nfs/dbraw/zinc/62/67/46/1070626746.db2.gz YSSDYKZVXWYBMO-UHFFFAOYSA-N 0 0 480.591 1.302 20 0 JDADRN CCOC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001502507182 1070626751 /nfs/dbraw/zinc/62/67/51/1070626751.db2.gz GVQDEFIFVTVXJW-RCCFBDPRSA-N 0 0 451.568 1.891 20 0 JDADRN CC(C)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001494530337 1070624765 /nfs/dbraw/zinc/62/47/65/1070624765.db2.gz ODIUPWMWMYSMDZ-ZCNNSNEGSA-N 0 0 468.668 1.210 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001502505668 1070624782 /nfs/dbraw/zinc/62/47/82/1070624782.db2.gz IWUYWISHESMPSB-UHFFFAOYSA-N 0 0 479.607 1.386 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](COC)OC)CC1 ZINC001502505672 1070624938 /nfs/dbraw/zinc/62/49/38/1070624938.db2.gz JCMYIWXOHQNAJB-OAHLLOKOSA-N 0 0 466.564 1.210 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001502506312 1070625946 /nfs/dbraw/zinc/62/59/46/1070625946.db2.gz WRBWGHHYLRGSGN-XMMPIXPASA-N 0 0 470.574 1.829 20 0 JDADRN C[C@@H]1CN(CCCn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC001494533997 1070626017 /nfs/dbraw/zinc/62/60/17/1070626017.db2.gz FOEWGYNGWRTFKS-QZTJIDSGSA-N 0 0 481.594 1.730 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001502507388 1070627628 /nfs/dbraw/zinc/62/76/28/1070627628.db2.gz PGXIDXKRBGABLB-LJQANCHMSA-N 0 0 488.589 1.865 20 0 JDADRN CCOC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001502507645 1070628675 /nfs/dbraw/zinc/62/86/75/1070628675.db2.gz XYPYHUFBOGKXLA-JOCHJYFZSA-N 0 0 460.510 1.753 20 0 JDADRN CCOC(=O)N[C@@H](CC(C)C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 ZINC001502509119 1070629408 /nfs/dbraw/zinc/62/94/08/1070629408.db2.gz KSDWFSWXVRSJGT-IBGZPJMESA-N 0 0 477.610 1.734 20 0 JDADRN CCOC(=O)N[C@H](CC(C)C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001502509203 1070629484 /nfs/dbraw/zinc/62/94/84/1070629484.db2.gz 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COc1cc(-c2nnc(N3CCS[C@@H](C)C3)n2CCN2CCCS2(=O)=O)cc(OC)c1OC ZINC001504078578 1070822284 /nfs/dbraw/zinc/82/22/84/1070822284.db2.gz LGNQVHHYQIGWOU-HNNXBMFYSA-N 0 0 497.643 1.948 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H]2CCOC2)cc(OC)c1OC ZINC001504079041 1070822325 /nfs/dbraw/zinc/82/23/25/1070822325.db2.gz FJSXTUMDDDARBG-WMZOPIPTSA-N 0 0 475.546 1.349 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H]2CCOC2)cc(OC)c1OC ZINC001504079031 1070822363 /nfs/dbraw/zinc/82/23/63/1070822363.db2.gz FJSXTUMDDDARBG-AEFFLSMTSA-N 0 0 475.546 1.349 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2CC(=O)N(C)CC)CCOC1 ZINC001502714287 1070822278 /nfs/dbraw/zinc/82/22/78/1070822278.db2.gz KQYQRJHYERNJLU-XMMPIXPASA-N 0 0 476.622 1.780 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCn1cncn1 ZINC001495803043 1070822312 /nfs/dbraw/zinc/82/23/12/1070822312.db2.gz HFWLFUAOWVHJCS-GPJFCIFZSA-N 0 0 457.627 1.900 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H]2COCCO2)CCOC1 ZINC001502714372 1070822415 /nfs/dbraw/zinc/82/24/15/1070822415.db2.gz MKSHOQCSUBMHOA-FCEWJHQRSA-N 0 0 463.501 1.418 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001495804391 1070822377 /nfs/dbraw/zinc/82/23/77/1070822377.db2.gz PHAWPIPUVNYSFP-GOSISDBHSA-N 0 0 483.683 1.254 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2nnc(C(C)(C)C)s2)CCOC1 ZINC001502719323 1070827877 /nfs/dbraw/zinc/82/78/77/1070827877.db2.gz XVAQBOPHZYGJOQ-SPLOXXLWSA-N 0 0 463.608 1.794 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@H]1COCCO1 ZINC001495803264 1070822454 /nfs/dbraw/zinc/82/24/54/1070822454.db2.gz JHLJHLBIRAYEAY-FPOVZHCZSA-N 0 0 456.591 1.645 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001495803951 1070822472 /nfs/dbraw/zinc/82/24/72/1070822472.db2.gz MRWZLLUVKQXNCR-ICSRJNTNSA-N 0 0 472.638 1.759 20 0 JDADRN 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0 0 488.589 1.456 20 0 JDADRN COc1cc(CCn2c(C)nnc2N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)ccc1C ZINC001504082108 1070824438 /nfs/dbraw/zinc/82/44/38/1070824438.db2.gz SSPYTEHGLPXAGA-UHFFFAOYSA-N 0 0 473.603 1.699 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1C ZINC001504082414 1070824449 /nfs/dbraw/zinc/82/44/49/1070824449.db2.gz UJXMWRZNTJQOAG-JQHSSLGASA-N 0 0 492.602 1.383 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(OCCO)c(OC)c1 ZINC001495849661 1070824488 /nfs/dbraw/zinc/82/44/88/1070824488.db2.gz JPOBZHGIJYJIQS-IRXDYDNUSA-N 0 0 481.619 1.690 20 0 JDADRN COc1cc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCNC(=O)C(C)C)ccc1OC(C)C ZINC001504082531 1070824520 /nfs/dbraw/zinc/82/45/20/1070824520.db2.gz SFBLMCBUPCPAKU-UHFFFAOYSA-N 0 0 479.603 1.748 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1Cc1nccn1C(F)F ZINC001495849605 1070824500 /nfs/dbraw/zinc/82/45/00/1070824500.db2.gz IPLBGGQSXMQFRH-AWEZNQCLSA-N 0 0 497.576 1.984 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1COCCO1 ZINC001495850344 1070824630 /nfs/dbraw/zinc/82/46/30/1070824630.db2.gz NMRNQVFODSHTJU-FUHWJXTLSA-N 0 0 467.567 1.857 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4ccccc4OC)CC3)n2CCC(=O)N(C)C)CCOC1 ZINC001502717067 1070824734 /nfs/dbraw/zinc/82/47/34/1070824734.db2.gz AVQYICDUNLZWHN-DEOSSOPVSA-N 0 0 472.590 1.744 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1C ZINC001504082770 1070824703 /nfs/dbraw/zinc/82/47/03/1070824703.db2.gz XDNNGEXVKUTQQQ-UHOSZYNNSA-N 0 0 490.630 1.695 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@H]1COCCO1 ZINC001495850346 1070824850 /nfs/dbraw/zinc/82/48/50/1070824850.db2.gz NMRNQVFODSHTJU-WMZOPIPTSA-N 0 0 467.567 1.857 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4ccc(F)c(OC)c4)CC3)n2CCC(=O)N(C)C)CCOC1 ZINC001502717355 1070824940 /nfs/dbraw/zinc/82/49/40/1070824940.db2.gz DFVFXJIKFPGCNJ-DEOSSOPVSA-N 0 0 490.580 1.883 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCOc1c(C)cccc1C ZINC001495850384 1070824959 /nfs/dbraw/zinc/82/49/59/1070824959.db2.gz NVNKUXPJVRRUBX-KRWDZBQOSA-N 0 0 496.616 1.954 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1Cc1cc(C)cc(OC)c1 ZINC001495850403 1070825048 /nfs/dbraw/zinc/82/50/48/1070825048.db2.gz OABGOIANKDNDOE-QGZVFWFLSA-N 0 0 482.589 1.624 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2CCCOCC2CCOCC2)CCOC1 ZINC001502717282 1070825042 /nfs/dbraw/zinc/82/50/42/1070825042.db2.gz CFIQEEOOFPSMOT-QFIPXVFZSA-N 0 0 451.568 1.042 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCc1ccccc1C ZINC001495851158 1070825261 /nfs/dbraw/zinc/82/52/61/1070825261.db2.gz QVUNXBFAFDZVRF-QGZVFWFLSA-N 0 0 466.590 1.809 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001495851031 1070825289 /nfs/dbraw/zinc/82/52/89/1070825289.db2.gz PRCMGXMJJJZKGP-SJORKVTESA-N 0 0 483.660 1.855 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1cccc(-n2cncn2)c1 ZINC001495851164 1070825313 /nfs/dbraw/zinc/82/53/13/1070825313.db2.gz QVVZBMVXNRKAGW-SJORKVTESA-N 0 0 458.592 1.891 20 0 JDADRN CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001495955317 1070828229 /nfs/dbraw/zinc/82/82/29/1070828229.db2.gz OSGULBHKQKFKAM-NUJGCVRESA-N 0 0 462.576 1.705 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CC(C)(C)C(=O)NC)CCOC1 ZINC001502717577 1070825298 /nfs/dbraw/zinc/82/52/98/1070825298.db2.gz HYUKIGBRABCBBH-HSZRJFAPSA-N 0 0 475.569 1.563 20 0 JDADRN COc1cc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCOC2)ccc1OC(F)F ZINC001504085224 1070825341 /nfs/dbraw/zinc/82/53/41/1070825341.db2.gz HNWOPWXCZJRVNM-JOCHJYFZSA-N 0 0 481.500 1.798 20 0 JDADRN COc1cc(CCn2c(Cn3nc(C)cc3C)nnc2N(C)CC(=O)N2CCOCC2)ccc1C ZINC001504084448 1070825373 /nfs/dbraw/zinc/82/53/73/1070825373.db2.gz SOCBPJNAFXNTLG-UHFFFAOYSA-N 0 0 481.601 1.994 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ccc(O)cc4)CC3)n2CCC(=O)N(C)C)CCOC1 ZINC001502717463 1070825332 /nfs/dbraw/zinc/82/53/32/1070825332.db2.gz FTCIOPXSGHHJGY-HSZRJFAPSA-N 0 0 458.563 1.441 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001502717504 1070825358 /nfs/dbraw/zinc/82/53/58/1070825358.db2.gz GLAHTSOZTISSSM-LJQANCHMSA-N 0 0 454.453 1.671 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 ZINC001502717490 1070825366 /nfs/dbraw/zinc/82/53/66/1070825366.db2.gz GFRUBULIHDNGGT-XDHUDOTRSA-N 0 0 485.589 1.739 20 0 JDADRN COc1cc(CCn2c([C@H]3CCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)ccc1C ZINC001504084547 1070825457 /nfs/dbraw/zinc/82/54/57/1070825457.db2.gz QACNRIXEESHORL-NRFANRHFSA-N 0 0 470.618 1.988 20 0 JDADRN COc1cc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCOC2)cc(OC)c1 ZINC001504085360 1070825476 /nfs/dbraw/zinc/82/54/76/1070825476.db2.gz MXHKLVKUPYHDLQ-QHCPKHFHSA-N 0 0 456.547 1.945 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4nc(C)c(C)s4)CC3)n2CCC(=O)NC)CCOC1 ZINC001502717672 1070825509 /nfs/dbraw/zinc/82/55/09/1070825509.db2.gz JMBFWMOLERVFRJ-OAQYLSRUSA-N 0 0 463.608 1.466 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCCNC(=O)C(C)C)CCOC1 ZINC001502717700 1070825701 /nfs/dbraw/zinc/82/57/01/1070825701.db2.gz JTQYLDSWPKCUTD-QHCPKHFHSA-N 0 0 474.610 1.153 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4cc(F)ccc4F)CC3)n2CCC(=O)NC)CCOC1 ZINC001502717738 1070825710 /nfs/dbraw/zinc/82/57/10/1070825710.db2.gz KNPVIMMNSYLWFX-QFIPXVFZSA-N 0 0 464.517 1.671 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)cc(OC)c1 ZINC001504086023 1070825778 /nfs/dbraw/zinc/82/57/78/1070825778.db2.gz JPRUBRVBBDIGLW-HNNXBMFYSA-N 0 0 477.591 1.632 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H]([C@H]3CCCO3)C2)cc(OC)c1OC ZINC001504086159 1070825791 /nfs/dbraw/zinc/82/57/91/1070825791.db2.gz DPUYFOKYIWLIHA-XLIONFOSSA-N 0 0 489.573 1.875 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001495851722 1070825771 /nfs/dbraw/zinc/82/57/71/1070825771.db2.gz VLHWWXHEXMAXPJ-RDJZCZTQSA-N 0 0 466.583 1.357 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2c(F)cccc2Cl)CCOC1 ZINC001502720747 1070828296 /nfs/dbraw/zinc/82/82/96/1070828296.db2.gz AJZLOJKISHZXSY-QHCPKHFHSA-N 0 0 494.999 1.981 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4cccnn4)CC3)n2CCCN(C)CC(F)(F)F)CCOC1 ZINC001502717783 1070825935 /nfs/dbraw/zinc/82/59/35/1070825935.db2.gz LBILCYMFUWCJHQ-OAQYLSRUSA-N 0 0 498.554 1.931 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1Cc1ccccc1C ZINC001495852206 1070826031 /nfs/dbraw/zinc/82/60/31/1070826031.db2.gz ZEEKDPPRZUWGAT-INIZCTEOSA-N 0 0 452.563 1.615 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1Cc1ncn(C)n1 ZINC001495852011 1070826057 /nfs/dbraw/zinc/82/60/57/1070826057.db2.gz XZRFMPFTKHVHDH-QGZVFWFLSA-N 0 0 458.592 1.620 20 0 JDADRN COc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)ccc1C ZINC001504086375 1070826030 /nfs/dbraw/zinc/82/60/30/1070826030.db2.gz IRAOKJQLNLBOLY-UHFFFAOYSA-N 0 0 499.597 1.809 20 0 JDADRN COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc(Cl)c1OC ZINC001504090929 1070828335 /nfs/dbraw/zinc/82/83/35/1070828335.db2.gz KRLKYTYQSCZNDK-LHSJRXKWSA-N 0 0 462.938 1.650 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(OC)C2)cc(OC)c1OC ZINC001504090878 1070828364 /nfs/dbraw/zinc/82/83/64/1070828364.db2.gz QBDSAOHVCJYLIP-NYHFZMIOSA-N 0 0 497.618 1.968 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CCOC(C)C ZINC001495852198 1070826082 /nfs/dbraw/zinc/82/60/82/1070826082.db2.gz ZCERAYOEUMLIHV-INIZCTEOSA-N 0 0 453.613 1.769 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001495851751 1070826090 /nfs/dbraw/zinc/82/60/90/1070826090.db2.gz VOZMQDQUQDDQJA-PNLZDCPESA-N 0 0 479.651 1.896 20 0 JDADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)cc2)CC1 ZINC001546249776 1070828336 /nfs/dbraw/zinc/82/83/36/1070828336.db2.gz NVTLZWLRMKDBHO-UXHICEINSA-N 0 0 451.589 1.409 20 0 JDADRN CC[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001495935858 1070828352 /nfs/dbraw/zinc/82/83/52/1070828352.db2.gz XYELRKYESRDTPW-KRWDZBQOSA-N 0 0 470.574 1.441 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001495858068 1070826195 /nfs/dbraw/zinc/82/61/95/1070826195.db2.gz AHQOJROZQDIHQA-IERDGZPVSA-N 0 0 462.576 1.801 20 0 JDADRN O=C(CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001546249056 1070826234 /nfs/dbraw/zinc/82/62/34/1070826234.db2.gz YOIFYQABKMHFOU-OAQYLSRUSA-N 0 0 455.603 1.811 20 0 JDADRN COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCN2CCOCC2)cc(OC)c1OC ZINC001504086859 1070826213 /nfs/dbraw/zinc/82/62/13/1070826213.db2.gz PESJNOIBUIMYHT-UHFFFAOYSA-N 0 0 488.589 1.357 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 ZINC001502718108 1070826296 /nfs/dbraw/zinc/82/62/96/1070826296.db2.gz NXQIMVHFPPEOMO-HXOBKFHXSA-N 0 0 491.614 1.190 20 0 JDADRN CS(=O)(=O)CC[C@@H](C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001546249062 1070826349 /nfs/dbraw/zinc/82/63/49/1070826349.db2.gz YRDXRXWOXQBAHP-JOCHJYFZSA-N 0 0 457.596 1.666 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)ccc1C ZINC001504087586 1070826419 /nfs/dbraw/zinc/82/64/19/1070826419.db2.gz VSCXYTQDLFYMQG-UHFFFAOYSA-N 0 0 469.546 1.302 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001495858073 1070826421 /nfs/dbraw/zinc/82/64/21/1070826421.db2.gz AHQOJROZQDIHQA-KKSFZXQISA-N 0 0 462.576 1.801 20 0 JDADRN CC[C@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC(=O)N(C)C ZINC001495954338 1070828385 /nfs/dbraw/zinc/82/83/85/1070828385.db2.gz FMGOFWZTLNKJEF-ARFHVFGLSA-N 0 0 466.583 1.630 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4cccnn4)CC3)n2CCN(C)CC(F)(F)F)CCOC1 ZINC001502718437 1070826564 /nfs/dbraw/zinc/82/65/64/1070826564.db2.gz QDTAWQVJZIVGNN-FQEVSTJZSA-N 0 0 484.527 1.541 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)cc(OC)c1 ZINC001504088226 1070826692 /nfs/dbraw/zinc/82/66/92/1070826692.db2.gz JJDPIEVCHRRIRU-SFHVURJKSA-N 0 0 459.547 1.685 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(=O)NC3CC3)C2)ccc1C ZINC001504091651 1070828643 /nfs/dbraw/zinc/82/86/43/1070828643.db2.gz UNGCXYOIXPYMLR-SJLPKXTDSA-N 0 0 490.630 1.749 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2([S@](C)=O)CCC2)CCOC1 ZINC001502720765 1070828477 /nfs/dbraw/zinc/82/84/77/1070828477.db2.gz APKPEIWQJVSZEV-WHUARKNTSA-N 0 0 479.569 1.916 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001495859595 1070826721 /nfs/dbraw/zinc/82/67/21/1070826721.db2.gz FSILNYDXDOBSTQ-AEFFLSMTSA-N 0 0 475.619 1.646 20 0 JDADRN 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COc1cc(Cn2c(C3CC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)ccc1OCCO ZINC001504089516 1070827215 /nfs/dbraw/zinc/82/72/15/1070827215.db2.gz CLJWKVWNNYYKNF-KRWDZBQOSA-N 0 0 450.561 1.597 20 0 JDADRN COc1cc(Cn2c(C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)ccc1OCCO ZINC001504089104 1070827250 /nfs/dbraw/zinc/82/72/50/1070827250.db2.gz SUOKPNOUZJZDEO-JOCHJYFZSA-N 0 0 488.633 1.246 20 0 JDADRN CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001495997599 1070828715 /nfs/dbraw/zinc/82/87/15/1070828715.db2.gz LTGZHQWFRGASGW-YOEHRIQHSA-N 0 0 462.576 1.819 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC)[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 ZINC001502721308 1070828757 /nfs/dbraw/zinc/82/87/57/1070828757.db2.gz FLNNPZLGPYPBQS-DYESRHJHSA-N 0 0 455.625 1.285 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)ccc1Cl ZINC001504091680 1070828851 /nfs/dbraw/zinc/82/88/51/1070828851.db2.gz UNVPMGAADHUTEI-CWTRNNRKSA-N 0 0 470.983 1.300 20 0 JDADRN 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CCOc1cc(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)ccc1OC ZINC001502781806 1070856576 /nfs/dbraw/zinc/85/65/76/1070856576.db2.gz NJQAIOKPMPTONQ-UHFFFAOYSA-N 0 0 467.530 1.486 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCNC(=O)C(C)C)cc1OC ZINC001502816437 1070863523 /nfs/dbraw/zinc/86/35/23/1070863523.db2.gz MBXOVUXFMITBKI-UHFFFAOYSA-N 0 0 458.563 1.841 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@](C)(O)c2ccco2)cc1OC ZINC001502816440 1070863525 /nfs/dbraw/zinc/86/35/25/1070863525.db2.gz MCMRNVBEKCBLTQ-NTKDMRAZSA-N 0 0 485.541 1.804 20 0 JDADRN CCOc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC001502781742 1070856601 /nfs/dbraw/zinc/85/66/01/1070856601.db2.gz LGYFYAFFVWNOCX-HZPDHXFCSA-N 0 0 463.560 1.308 20 0 JDADRN CCOc1cc(Cn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)ccc1OC ZINC001502783293 1070856638 /nfs/dbraw/zinc/85/66/38/1070856638.db2.gz HPIPASQHFOGWLX-UHFFFAOYSA-N 0 0 457.556 1.954 20 0 JDADRN CCOc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)ccc1OC 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CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(C)(C)C(=O)NC)cc1OC ZINC001502794260 1070858179 /nfs/dbraw/zinc/85/81/79/1070858179.db2.gz AWSPAUHBPRGVMT-HNNXBMFYSA-N 0 0 458.563 1.792 20 0 JDADRN COc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCCNC(C)=O)c(OC)c1 ZINC001504171080 1070863757 /nfs/dbraw/zinc/86/37/57/1070863757.db2.gz LDWGNBOSNGTEAY-MOPGFXCFSA-N 0 0 456.547 1.736 20 0 JDADRN CCOc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@]2(OC)CCOC2)cc1OC ZINC001502816629 1070863767 /nfs/dbraw/zinc/86/37/67/1070863767.db2.gz PYZZBJGOIIEEDE-XXBNENTESA-N 0 0 475.546 1.109 20 0 JDADRN CCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCc2ccn(C)n2)cc1OC ZINC001502794593 1070858381 /nfs/dbraw/zinc/85/83/81/1070858381.db2.gz LJLKVNRNGVCWGO-MRXNPFEDSA-N 0 0 453.547 1.996 20 0 JDADRN CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC2(S(C)(=O)=O)CC2)cc1OC ZINC001502794542 1070858402 /nfs/dbraw/zinc/85/84/02/1070858402.db2.gz JVVKICODRKHKGV-OAHLLOKOSA-N 0 0 477.587 1.597 20 0 JDADRN 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COc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)c(OC)c1 ZINC001504249346 1070926213 /nfs/dbraw/zinc/92/62/13/1070926213.db2.gz PEVLHVFZRJZAHT-PZJWPPBQSA-N 0 0 473.574 1.773 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C1 ZINC001502974712 1070926404 /nfs/dbraw/zinc/92/64/04/1070926404.db2.gz ATOXTBJQBMZSCU-DOTOQJQBSA-N 0 0 451.597 1.403 20 0 JDADRN COc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c(OC)c1 ZINC001504249342 1070926605 /nfs/dbraw/zinc/92/66/05/1070926605.db2.gz PEVLHVFZRJZAHT-CTNGQTDRSA-N 0 0 473.574 1.773 20 0 JDADRN CCO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001502975130 1070926796 /nfs/dbraw/zinc/92/67/96/1070926796.db2.gz AUXZSFWTXULTHR-HNNXBMFYSA-N 0 0 467.617 1.852 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001502975288 1070927005 /nfs/dbraw/zinc/92/70/05/1070927005.db2.gz IFEGZXKYMRZCBF-ZWKOTPCHSA-N 0 0 482.628 1.637 20 0 JDADRN COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnccn2)c(OC)c1 ZINC001504250126 1070927395 /nfs/dbraw/zinc/92/73/95/1070927395.db2.gz WENJMBKMWVPUCK-KRWDZBQOSA-N 0 0 472.571 1.867 20 0 JDADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)cc1F ZINC001504250972 1070927615 /nfs/dbraw/zinc/92/76/15/1070927615.db2.gz BLGPIDWDUPKNTN-UHFFFAOYSA-N 0 0 461.523 1.555 20 0 JDADRN COc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCN2S(C)(=O)=O)c(OC)c1 ZINC001504251821 1070929049 /nfs/dbraw/zinc/92/90/49/1070929049.db2.gz PHHFMELUAXIMHJ-QGZVFWFLSA-N 0 0 487.586 1.813 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001502976950 1070929054 /nfs/dbraw/zinc/92/90/54/1070929054.db2.gz VSJDJUGXCZQPRR-RBUKOAKNSA-N 0 0 461.588 1.827 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1F ZINC001504253192 1070929922 /nfs/dbraw/zinc/92/99/22/1070929922.db2.gz ADNIWVNMEIJNJP-YJBOKZPZSA-N 0 0 479.578 1.879 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)cc1F ZINC001504253301 1070929967 /nfs/dbraw/zinc/92/99/67/1070929967.db2.gz AYZJTZIPPFZCCG-FOIQADDNSA-N 0 0 454.524 1.116 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)cc1 ZINC001504253185 1070930050 /nfs/dbraw/zinc/93/00/50/1070930050.db2.gz ACFDVWYULGDGRM-RTBURBONSA-N 0 0 465.576 1.435 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(=O)(=O)CC)C1 ZINC001502977313 1070930390 /nfs/dbraw/zinc/93/03/90/1070930390.db2.gz MIFWLJFPOODKHQ-OAHLLOKOSA-N 0 0 468.580 1.341 20 0 JDADRN CCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 ZINC001502977846 1070930604 /nfs/dbraw/zinc/93/06/04/1070930604.db2.gz IZVWIKYPIIZROV-NRFANRHFSA-N 0 0 494.600 1.408 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001502977170 1070930825 /nfs/dbraw/zinc/93/08/25/1070930825.db2.gz MVNPSZLCUZETSG-MKXGPGLRSA-N 0 0 471.624 1.289 20 0 JDADRN CCO[C@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(=O)(=O)CC)C1 ZINC001502977312 1070930859 /nfs/dbraw/zinc/93/08/59/1070930859.db2.gz MIFWLJFPOODKHQ-HNNXBMFYSA-N 0 0 468.580 1.341 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001504254454 1070931040 /nfs/dbraw/zinc/93/10/40/1070931040.db2.gz KXFUULNAUNTRQN-AEFFLSMTSA-N 0 0 462.576 1.298 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)cc1F ZINC001504254194 1070931118 /nfs/dbraw/zinc/93/11/18/1070931118.db2.gz FPWIGYGCULIEKL-HNNXBMFYSA-N 0 0 453.540 1.443 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)cc1C ZINC001504254167 1070931153 /nfs/dbraw/zinc/93/11/53/1070931153.db2.gz FHBNXVVVNNZHRH-HXUWFJFHSA-N 0 0 481.619 1.989 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)cc1F ZINC001504254198 1070931403 /nfs/dbraw/zinc/93/14/03/1070931403.db2.gz FPWIGYGCULIEKL-OAHLLOKOSA-N 0 0 453.540 1.443 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001502979568 1070934020 /nfs/dbraw/zinc/93/40/20/1070934020.db2.gz IWLYDBSCDJNOOP-RDJZCZTQSA-N 0 0 486.639 1.761 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001502979813 1070934178 /nfs/dbraw/zinc/93/41/78/1070934178.db2.gz UDQYEIZXXYECDI-MJGOQNOKSA-N 0 0 467.636 1.977 20 0 JDADRN CCO[C@H]1CCCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCS(=O)(=O)NC)C1 ZINC001502978113 1070931861 /nfs/dbraw/zinc/93/18/61/1070931861.db2.gz PNCAVDGGTUNWLG-INIZCTEOSA-N 0 0 489.602 1.229 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCS2(=O)=O)C1 ZINC001502979545 1070934483 /nfs/dbraw/zinc/93/44/83/1070934483.db2.gz OPYMJJLYBNEWJE-GOSISDBHSA-N 0 0 451.597 1.181 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)c(OC)c1 ZINC001504256039 1070934240 /nfs/dbraw/zinc/93/42/40/1070934240.db2.gz SLDWTLSMFHCXJR-KRWDZBQOSA-N 0 0 458.519 1.725 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)cc1F ZINC001504255872 1070934305 /nfs/dbraw/zinc/93/43/05/1070934305.db2.gz LYJLQKIXTNKLMN-MRXNPFEDSA-N 0 0 463.539 1.646 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)cc1O ZINC001504257695 1070939286 /nfs/dbraw/zinc/93/92/86/1070939286.db2.gz WHCWLOBVLCDCAZ-ZWKOTPCHSA-N 0 0 480.587 1.726 20 0 JDADRN COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1F ZINC001504258134 1070939328 /nfs/dbraw/zinc/93/93/28/1070939328.db2.gz LVABCXBCYAZAPB-NRFANRHFSA-N 0 0 495.602 1.968 20 0 JDADRN CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001502986805 1070939340 /nfs/dbraw/zinc/93/93/40/1070939340.db2.gz FKFMHCMPVBPYFB-UHFFFAOYSA-N 0 0 453.613 1.507 20 0 JDADRN CCOCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001502987344 1070939779 /nfs/dbraw/zinc/93/97/79/1070939779.db2.gz IFHIQNJFSWPSMP-KRWDZBQOSA-N 0 0 456.595 1.587 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC ZINC001504256209 1070934659 /nfs/dbraw/zinc/93/46/59/1070934659.db2.gz UPSQFFCTSLQNSD-QAPCUYQASA-N 0 0 456.547 1.798 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)C1 ZINC001502980753 1070934993 /nfs/dbraw/zinc/93/49/93/1070934993.db2.gz ZNCPAPOYYCKSIS-DLBZAZTESA-N 0 0 473.665 1.902 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)C1 ZINC001502980754 1070935178 /nfs/dbraw/zinc/93/51/78/1070935178.db2.gz ZNCPAPOYYCKSIS-IAGOWNOFSA-N 0 0 473.665 1.902 20 0 JDADRN COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)c(OC)c1 ZINC001504256251 1070935116 /nfs/dbraw/zinc/93/51/16/1070935116.db2.gz ZULZCWZSLFQXDD-HSZRJFAPSA-N 0 0 487.582 1.467 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)C1 ZINC001502980178 1070935350 /nfs/dbraw/zinc/93/53/50/1070935350.db2.gz WECAJAGCCNAMCJ-WOJBJXKFSA-N 0 0 481.594 1.998 20 0 JDADRN CCO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 ZINC001502980669 1070935414 /nfs/dbraw/zinc/93/54/14/1070935414.db2.gz YAHDXMAUUYVVGB-ROUUACIJSA-N 0 0 468.555 1.199 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001502980133 1070935513 /nfs/dbraw/zinc/93/55/13/1070935513.db2.gz VZMHVAKPKRXJRN-LLGFUMIMSA-N 0 0 483.591 1.117 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)cc1OC ZINC001504256950 1070935598 /nfs/dbraw/zinc/93/55/98/1070935598.db2.gz PECJKYHLKAWUFV-LJQANCHMSA-N 0 0 497.618 1.690 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)cc1O ZINC001504256697 1070935630 /nfs/dbraw/zinc/93/56/30/1070935630.db2.gz XGCNABYIPJVFGW-KRWDZBQOSA-N 0 0 458.563 1.691 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC2)c(OC)c1 ZINC001504256976 1070935691 /nfs/dbraw/zinc/93/56/91/1070935691.db2.gz POQRBCKOLNOTET-NVXWUHKLSA-N 0 0 450.561 1.870 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC2)c(OC)c1 ZINC001504256974 1070935901 /nfs/dbraw/zinc/93/59/01/1070935901.db2.gz POQRBCKOLNOTET-DOTOQJQBSA-N 0 0 450.561 1.870 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1O ZINC001504256508 1070936107 /nfs/dbraw/zinc/93/61/07/1070936107.db2.gz NLZQTPOZKVRKJK-SJORKVTESA-N 0 0 498.627 1.356 20 0 JDADRN CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)C1 ZINC001502981526 1070936351 /nfs/dbraw/zinc/93/63/51/1070936351.db2.gz RQIPTAHINLZVCC-GVDBMIGSSA-N 0 0 451.597 1.353 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)cc1O ZINC001504257046 1070936671 /nfs/dbraw/zinc/93/66/71/1070936671.db2.gz XILJPLHPDMRQHC-KRWDZBQOSA-N 0 0 467.592 1.851 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)cc1O ZINC001504257464 1070937012 /nfs/dbraw/zinc/93/70/12/1070937012.db2.gz RVACIBPOEPVCKW-RDTXWAMCSA-N 0 0 485.632 1.713 20 0 JDADRN CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001502982113 1070937272 /nfs/dbraw/zinc/93/72/72/1070937272.db2.gz BLYILJOPSKRAEW-INIZCTEOSA-N 0 0 496.609 1.943 20 0 JDADRN CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001502982114 1070937328 /nfs/dbraw/zinc/93/73/28/1070937328.db2.gz BLYILJOPSKRAEW-MRXNPFEDSA-N 0 0 496.609 1.943 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1O ZINC001504257509 1070937569 /nfs/dbraw/zinc/93/75/69/1070937569.db2.gz SDTDPRKQKNLFSP-DLBZAZTESA-N 0 0 465.576 1.557 20 0 JDADRN COc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)cc1O ZINC001504257557 1070937769 /nfs/dbraw/zinc/93/77/69/1070937769.db2.gz TUBYQQKULNQKOE-QGZVFWFLSA-N 0 0 474.587 1.929 20 0 JDADRN COc1ccc(CN(CCO)c2nnc(-c3cccn3C)n2C[C@H]2CCC(=O)N2)c(OC)c1 ZINC001504260283 1070944514 /nfs/dbraw/zinc/94/45/14/1070944514.db2.gz DBSRGKFMXCJLOR-QGZVFWFLSA-N 0 0 454.531 1.578 20 0 JDADRN 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COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C3CCOCC3)C2)cn1 ZINC001504264282 1070974466 /nfs/dbraw/zinc/97/44/66/1070974466.db2.gz PYUJBRFKSGTTCF-YJBOKZPZSA-N 0 0 464.592 1.593 20 0 JDADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C3CCOCC3)C2)cn1 ZINC001504264280 1070975504 /nfs/dbraw/zinc/97/55/04/1070975504.db2.gz PYUJBRFKSGTTCF-MAUKXSAKSA-N 0 0 464.592 1.593 20 0 JDADRN CCOCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(C)n(C)c1=O ZINC001503028096 1070975635 /nfs/dbraw/zinc/97/56/35/1070975635.db2.gz FGWHEVIMBUUBKA-ZWKOTPCHSA-N 0 0 460.579 1.238 20 0 JDADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCOCC2)cc1OC(F)F ZINC001504264835 1070979758 /nfs/dbraw/zinc/97/97/58/1070979758.db2.gz YGEIJKJSAVKZPK-CYBMUJFWSA-N 0 0 475.518 1.773 20 0 JDADRN COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCN(C(C)=O)CC2)cn1 ZINC001504265872 1070981598 /nfs/dbraw/zinc/98/15/98/1070981598.db2.gz PVNYQSMQXWPVSU-UHFFFAOYSA-N 0 0 484.582 1.859 20 0 JDADRN COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1O ZINC001504267634 1070980991 /nfs/dbraw/zinc/98/09/91/1070980991.db2.gz LEPPTKPUOCRVHC-UHFFFAOYSA-N 0 0 465.558 1.749 20 0 JDADRN COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)C(=O)C2)c(F)c1 ZINC001504264440 1070976893 /nfs/dbraw/zinc/97/68/93/1070976893.db2.gz UJLNINMSIMITJN-OAHLLOKOSA-N 0 0 482.582 1.389 20 0 JDADRN CCOCc1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CC1(OCCOC)CCOCC1 ZINC001503028581 1070977551 /nfs/dbraw/zinc/97/75/51/1070977551.db2.gz IHRPYHNMRRALCP-HSZRJFAPSA-N 0 0 468.595 1.801 20 0 JDADRN CCOCc1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC1(OCCOC)CCOCC1 ZINC001503028585 1070977694 /nfs/dbraw/zinc/97/76/94/1070977694.db2.gz IHRPYHNMRRALCP-QHCPKHFHSA-N 0 0 468.595 1.801 20 0 JDADRN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCSC2)c(OC)c1OC ZINC001504264792 1070977662 /nfs/dbraw/zinc/97/76/62/1070977662.db2.gz XTUYGPYJAURSAO-DZGCQCFKSA-N 0 0 485.632 1.904 20 0 JDADRN CCOCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001503028429 1070977934 /nfs/dbraw/zinc/97/79/34/1070977934.db2.gz HQDJDJPGSAGKAD-OKZBNKHCSA-N 0 0 471.624 1.007 20 0 JDADRN CCOCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1CC1CCS(=O)(=O)CC1 ZINC001503028318 1070978184 /nfs/dbraw/zinc/97/81/84/1070978184.db2.gz GPUKESXHEWOLPA-AEFFLSMTSA-N 0 0 471.624 1.007 20 0 JDADRN COc1ccc(Cn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(OC)c1OC ZINC001504264715 1070978076 /nfs/dbraw/zinc/97/80/76/1070978076.db2.gz WFIHLAFJYSRWKG-HNNXBMFYSA-N 0 0 467.592 1.946 20 0 JDADRN COc1ccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)c(OC)c1 ZINC001504270775 1070986710 /nfs/dbraw/zinc/98/67/10/1070986710.db2.gz RRABOHDLNBZTDT-UHFFFAOYSA-N 0 0 470.574 1.784 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)c(OC)c1OC ZINC001504270067 1070986771 /nfs/dbraw/zinc/98/67/71/1070986771.db2.gz MBFXBBOQOOVSKA-MRXNPFEDSA-N 0 0 472.546 1.395 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC001504270771 1070987138 /nfs/dbraw/zinc/98/71/38/1070987138.db2.gz ROIPFIJWZHEAJE-ZFWWWQNUSA-N 0 0 453.952 1.563 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)c(OC)c1OC ZINC001504270066 1070987327 /nfs/dbraw/zinc/98/73/27/1070987327.db2.gz MBFXBBOQOOVSKA-INIZCTEOSA-N 0 0 472.546 1.395 20 0 JDADRN CCOCc1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001503030721 1070982986 /nfs/dbraw/zinc/98/29/86/1070982986.db2.gz UOCHSNQWQXPPSX-CVEARBPZSA-N 0 0 482.632 1.410 20 0 JDADRN COc1ccc(Cn2c(-c3cccnc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c(OC)n1 ZINC001504268035 1070983111 /nfs/dbraw/zinc/98/31/11/1070983111.db2.gz GDCAGPHZYGRCQA-UHFFFAOYSA-N 0 0 487.586 1.661 20 0 JDADRN CCOCc1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001503030734 1070983925 /nfs/dbraw/zinc/98/39/25/1070983925.db2.gz UOCHSNQWQXPPSX-HOTGVXAUSA-N 0 0 482.632 1.410 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)cc1OC(F)F ZINC001504269520 1070983673 /nfs/dbraw/zinc/98/36/73/1070983673.db2.gz FICUGFLJAACIOU-KBPBESRZSA-N 0 0 464.473 1.589 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NC(C)=O)CC2)cc1OC(F)F ZINC001504269314 1070983781 /nfs/dbraw/zinc/98/37/81/1070983781.db2.gz BPYWMLHCPXKOHL-INIZCTEOSA-N 0 0 478.500 1.992 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)c(OC)c1OC ZINC001504269397 1070984012 /nfs/dbraw/zinc/98/40/12/1070984012.db2.gz CLJXVKXCRYZEHO-GJZGRUSLSA-N 0 0 458.519 1.005 20 0 JDADRN CCOCc1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001503032281 1070985172 /nfs/dbraw/zinc/98/51/72/1070985172.db2.gz QIGYKOAYUKJVLG-WVBUVRCRSA-N 0 0 464.588 1.960 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1OC(F)F ZINC001504269895 1070985866 /nfs/dbraw/zinc/98/58/66/1070985866.db2.gz KPLMJONDZYIJLP-XJKSGUPXSA-N 0 0 478.500 1.945 20 0 JDADRN COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1Cl ZINC001504269780 1070986278 /nfs/dbraw/zinc/98/62/78/1070986278.db2.gz KWRDPEJLBFNCIG-INIZCTEOSA-N 0 0 457.922 1.787 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC001504270763 1070987802 /nfs/dbraw/zinc/98/78/02/1070987802.db2.gz ROIPFIJWZHEAJE-DZGCQCFKSA-N 0 0 453.952 1.563 20 0 JDADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCN(S(C)(=O)=O)CC2)c(OC)n1 ZINC001504271409 1070988660 /nfs/dbraw/zinc/98/86/60/1070988660.db2.gz KJCUGWAMTQKUTF-UHFFFAOYSA-N 0 0 461.548 1.205 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCN2CCOC(C)(C)C2)c(OC)c1 ZINC001504272419 1070990928 /nfs/dbraw/zinc/99/09/28/1070990928.db2.gz QGMYUEOWHSEWOK-IBGZPJMESA-N 0 0 472.590 1.842 20 0 JDADRN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001503034704 1070993068 /nfs/dbraw/zinc/99/30/68/1070993068.db2.gz STCIQEYSOWSWLP-VXPBHUBDSA-N 0 0 462.639 1.865 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)c(OC)n1 ZINC001504273281 1070993196 /nfs/dbraw/zinc/99/31/96/1070993196.db2.gz UDBKZVWCPCDDTM-GOSISDBHSA-N 0 0 494.618 1.840 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CCNS(C)(=O)=O)cc1OC ZINC001504273322 1070992442 /nfs/dbraw/zinc/99/24/42/1070992442.db2.gz UOFPIJCQURFUFI-KRWDZBQOSA-N 0 0 453.565 1.571 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1OC ZINC001504273414 1070993228 /nfs/dbraw/zinc/99/32/28/1070993228.db2.gz DCKUEYNYJXHVJI-FQEVSTJZSA-N 0 0 486.617 1.884 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001504273801 1070994145 /nfs/dbraw/zinc/99/41/45/1070994145.db2.gz BRXBMKANOXFXIT-SJLPKXTDSA-N 0 0 498.627 1.259 20 0 JDADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)cc1Cl ZINC001504273757 1070995063 /nfs/dbraw/zinc/99/50/63/1070995063.db2.gz AYDJXLZVLOAPDI-MAUKXSAKSA-N 0 0 485.994 1.546 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1Cl ZINC001504274044 1070996220 /nfs/dbraw/zinc/99/62/20/1070996220.db2.gz DCPDAWSUWDTIFL-DZGCQCFKSA-N 0 0 491.035 1.760 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCNC(=O)C(C)C)c(OC)c1 ZINC001504273833 1070996494 /nfs/dbraw/zinc/99/64/94/1070996494.db2.gz BYJLRBQAMBZVKV-KRWDZBQOSA-N 0 0 479.603 1.454 20 0 JDADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC001504273963 1070996791 /nfs/dbraw/zinc/99/67/91/1070996791.db2.gz CJROWYBKBAMEEI-ZRGWGRIASA-N 0 0 483.566 1.421 20 0 JDADRN CCOCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCCn1ccnc1C ZINC001503036026 1071000178 /nfs/dbraw/zinc/00/01/78/1071000178.db2.gz XZGITBCCDUKOSJ-UGKGYDQZSA-N 0 0 472.638 1.789 20 0 JDADRN CCOCc1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1Cc1cc(OC)c(OCC)c(OC)c1 ZINC001503036576 1071000321 /nfs/dbraw/zinc/00/03/21/1071000321.db2.gz KPIYJDZGEMKIGF-SJORKVTESA-N 0 0 459.547 1.994 20 0 JDADRN CCOCc1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001503038078 1071000344 /nfs/dbraw/zinc/00/03/44/1071000344.db2.gz ICUKFJBIVXNKHI-DYESRHJHSA-N 0 0 450.561 1.673 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCC(N)=O)CC2)cn1 ZINC001504276232 1071003548 /nfs/dbraw/zinc/00/35/48/1071003548.db2.gz SKXPFCFDZJXISC-KRWDZBQOSA-N 0 0 462.576 1.114 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c(OC)c1 ZINC001504274481 1071000356 /nfs/dbraw/zinc/00/03/56/1071000356.db2.gz HSKRLKPTPGHICW-PKOBYXMFSA-N 0 0 491.614 1.550 20 0 JDADRN CCOCc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001503036619 1071000375 /nfs/dbraw/zinc/00/03/75/1071000375.db2.gz ZYRLMUPIECCNKA-RXVVDRJESA-N 0 0 472.590 1.497 20 0 JDADRN CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001503038245 1071001298 /nfs/dbraw/zinc/00/12/98/1071001298.db2.gz PCYJFPYKJVXBLJ-ZBFHGGJFSA-N 0 0 466.560 1.320 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)C[C@H](C)C2)c(OC)n1 ZINC001504275462 1071001717 /nfs/dbraw/zinc/00/17/17/1071001717.db2.gz MLPDHCMHAKQPPO-BQFCYCMXSA-N 0 0 494.618 1.554 20 0 JDADRN CCOCc1nnc(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)n1CCc1cccc(C(=O)NC)c1 ZINC001503039728 1071001913 /nfs/dbraw/zinc/00/19/13/1071001913.db2.gz VKNBGOIWKJHQEB-IRLDBZIGSA-N 0 0 470.618 1.964 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccccn2)cc1F ZINC001504275832 1071002273 /nfs/dbraw/zinc/00/22/73/1071002273.db2.gz OSCMCJOGQLCFNL-FQEVSTJZSA-N 0 0 490.561 1.838 20 0 JDADRN CCOCc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001503040600 1071002511 /nfs/dbraw/zinc/00/25/11/1071002511.db2.gz PQBFXKGSBSPYDW-SVMVAKDDSA-N 0 0 451.568 1.084 20 0 JDADRN CCOCc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001503040180 1071002692 /nfs/dbraw/zinc/00/26/92/1071002692.db2.gz BISHRONGNMTBEP-UHFFFAOYSA-N 0 0 471.558 1.902 20 0 JDADRN COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCC(F)(F)F)cn1 ZINC001504276390 1071003922 /nfs/dbraw/zinc/00/39/22/1071003922.db2.gz UMEGGCRMCBWPEP-CQSZACIVSA-N 0 0 478.497 1.452 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)cc1O ZINC001504276457 1071003993 /nfs/dbraw/zinc/00/39/93/1071003993.db2.gz VDPVBDBOOJPDPP-HNNXBMFYSA-N 0 0 489.520 1.627 20 0 JDADRN CCOCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001503055082 1071009739 /nfs/dbraw/zinc/00/97/39/1071009739.db2.gz RKBQWRZCEHSSEQ-DEOSSOPVSA-N 0 0 462.639 1.746 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)OC(C)(C)C2)c(OC)n1 ZINC001504276680 1071004496 /nfs/dbraw/zinc/00/44/96/1071004496.db2.gz WXLHORZIMZPYKD-HOCLYGCPSA-N 0 0 465.576 1.644 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CC(N)=O)C2)c(OC)c1 ZINC001504276590 1071004518 /nfs/dbraw/zinc/00/45/18/1071004518.db2.gz VRKHVQMYRMEWDU-WBVHZDCISA-N 0 0 477.587 1.338 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](CC(N)=O)C2)c(OC)c1 ZINC001504276588 1071004677 /nfs/dbraw/zinc/00/46/77/1071004677.db2.gz VRKHVQMYRMEWDU-RDJZCZTQSA-N 0 0 477.587 1.338 20 0 JDADRN COc1ccc(Cn2c(N3CC[C@@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1OC ZINC001504282634 1071008997 /nfs/dbraw/zinc/00/89/97/1071008997.db2.gz HHTOHMKRJAICAC-HXOBKFHXSA-N 0 0 459.547 1.696 20 0 JDADRN COc1ccc(Cn2c(N3CC[C@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1OC ZINC001504282633 1071009084 /nfs/dbraw/zinc/00/90/84/1071009084.db2.gz HHTOHMKRJAICAC-GAJHUEQPSA-N 0 0 459.547 1.696 20 0 JDADRN CCOCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001503042022 1071004650 /nfs/dbraw/zinc/00/46/50/1071004650.db2.gz VJRBAFDWGYUNNY-QZTJIDSGSA-N 0 0 473.565 1.945 20 0 JDADRN CCOCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001503053489 1071009058 /nfs/dbraw/zinc/00/90/58/1071009058.db2.gz FMALREJKKDKTSU-CVDCTZTESA-N 0 0 462.595 1.913 20 0 JDADRN 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/nfs/dbraw/zinc/94/96/49/1071949649.db2.gz PUZKMRCAEVGPHH-HZPDHXFCSA-N 0 0 470.546 1.291 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCc2nccn2C1 ZINC001503636383 1071949729 /nfs/dbraw/zinc/94/97/29/1071949729.db2.gz VCJDOIGEFUQIST-CQSZACIVSA-N 0 0 496.435 1.986 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001504934109 1071949651 /nfs/dbraw/zinc/94/96/51/1071949651.db2.gz WHPYNUGZXMYWES-BTHPGYMESA-N 0 0 477.631 1.838 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)C1 ZINC001504934128 1071949688 /nfs/dbraw/zinc/94/96/88/1071949688.db2.gz QQQCCAPMUCKEJX-FGTMMUONSA-N 0 0 488.564 1.642 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCOC2)C1 ZINC001504934145 1071949710 /nfs/dbraw/zinc/94/97/10/1071949710.db2.gz QUDFXCPPDYQCQO-HNNYQGJMSA-N 0 0 493.649 1.716 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCOC2)C1 ZINC001504934148 1071949790 /nfs/dbraw/zinc/94/97/90/1071949790.db2.gz QUDFXCPPDYQCQO-PPYVPILRSA-N 0 0 493.649 1.716 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCc2nccn2C1 ZINC001503636381 1071949785 /nfs/dbraw/zinc/94/97/85/1071949785.db2.gz VCJDOIGEFUQIST-AWEZNQCLSA-N 0 0 496.435 1.986 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001503636285 1071949891 /nfs/dbraw/zinc/94/98/91/1071949891.db2.gz PPIUBZLCXQPDEG-SJORKVTESA-N 0 0 467.567 1.136 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 ZINC001503636588 1071950353 /nfs/dbraw/zinc/95/03/53/1071950353.db2.gz WCDQLTLDCJUNFK-MRXNPFEDSA-N 0 0 456.590 1.127 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CCn2ccnc2C)C1 ZINC001504934270 1071950319 /nfs/dbraw/zinc/95/03/19/1071950319.db2.gz WJXGKENSXBILAS-FXAWDEMLSA-N 0 0 452.563 1.913 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 ZINC001503636744 1071951105 /nfs/dbraw/zinc/95/11/05/1071951105.db2.gz WXDNOQVUQQZAPC-UHFFFAOYSA-N 0 0 496.391 1.400 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)(C)C)C1 ZINC001504934440 1071951323 /nfs/dbraw/zinc/95/13/23/1071951323.db2.gz XHPDASHUYLDXON-QZTJIDSGSA-N 0 0 473.622 1.813 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCCCC1 ZINC001503637611 1071954266 /nfs/dbraw/zinc/95/42/66/1071954266.db2.gz PNXWSCNMLUJEBJ-UHFFFAOYSA-N 0 0 451.568 1.891 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)F ZINC001503636954 1071951786 /nfs/dbraw/zinc/95/17/86/1071951786.db2.gz ACRXZBMLOZRQID-LBPRGKRZSA-N 0 0 471.502 1.630 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC=CO1 ZINC001503636891 1071951817 /nfs/dbraw/zinc/95/18/17/1071951817.db2.gz ZZRVXCNCVMVZOB-MRXNPFEDSA-N 0 0 454.574 1.522 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001504934489 1071951831 /nfs/dbraw/zinc/95/18/31/1071951831.db2.gz SSXXBTCUNLRCTF-HSZRJFAPSA-N 0 0 471.562 1.065 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001503637819 1071954314 /nfs/dbraw/zinc/95/43/14/1071954314.db2.gz UILUDKQWHFGJAH-MCIONIFRSA-N 0 0 472.555 1.955 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001504934524 1071952063 /nfs/dbraw/zinc/95/20/63/1071952063.db2.gz UBENVYUTPBKSCL-UTAZYMRLSA-N 0 0 482.629 1.909 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2)CC1 ZINC001504934534 1071952128 /nfs/dbraw/zinc/95/21/28/1071952128.db2.gz UGBOFKPSQFUCHN-UHFFFAOYSA-N 0 0 470.574 1.572 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001504934573 1071952539 /nfs/dbraw/zinc/95/25/39/1071952539.db2.gz XMGSLSQFPINIFP-VOLVWJTLSA-N 0 0 457.579 1.654 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)C1 ZINC001504934657 1071952678 /nfs/dbraw/zinc/95/26/78/1071952678.db2.gz XYLYMULQKXUYKD-GUDVDZBRSA-N 0 0 481.663 1.984 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)C1 ZINC001504934659 1071952718 /nfs/dbraw/zinc/95/27/18/1071952718.db2.gz XYLYMULQKXUYKD-IPMKNSEASA-N 0 0 481.663 1.984 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@H]2C)C1 ZINC001504934914 1071954473 /nfs/dbraw/zinc/95/44/73/1071954473.db2.gz VZKSJRXGGTXXPV-UAFMIMERSA-N 0 0 464.611 1.218 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)C1 ZINC001504934754 1071953069 /nfs/dbraw/zinc/95/30/69/1071953069.db2.gz ZADZLYQEVQWQFQ-IFMALSPDSA-N 0 0 499.660 1.742 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(C)=O)c2)C1 ZINC001504934971 1071953198 /nfs/dbraw/zinc/95/31/98/1071953198.db2.gz YNLWQFXYGOXXJL-LDQXTDLNSA-N 0 0 497.600 1.603 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCO[C@@H]2C)C1 ZINC001504934781 1071953795 /nfs/dbraw/zinc/95/37/95/1071953795.db2.gz VBHRFBPQPZNQTL-PLLBJWBMSA-N 0 0 489.621 1.047 20 0 JDADRN COCCn1c(=O)[nH]c(=O)c(NCc2ccccc2)c1NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001546284232 1071953943 /nfs/dbraw/zinc/95/39/43/1071953943.db2.gz OUKSVJQVDPJGQJ-KGLIPLIRSA-N 0 0 452.533 1.215 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(COC)cc2)CC1 ZINC001504934795 1071953907 /nfs/dbraw/zinc/95/39/07/1071953907.db2.gz AGLKMBYIUHDUBN-HXUWFJFHSA-N 0 0 470.574 1.403 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001504935477 1071957254 /nfs/dbraw/zinc/95/72/54/1071957254.db2.gz HACNFWKSYCTIHZ-UHFFFAOYSA-N 0 0 490.630 1.595 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@H]2CCCCO2)CC1 ZINC001504935676 1071957295 /nfs/dbraw/zinc/95/72/95/1071957295.db2.gz HNKMKAMCDVOJLQ-MOPGFXCFSA-N 0 0 462.595 1.558 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1 ZINC001503640257 1071957481 /nfs/dbraw/zinc/95/74/81/1071957481.db2.gz SDRYZTBCDRRQAA-UHFFFAOYSA-N 0 0 461.592 1.812 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nnn(C)n2)C1 ZINC001504935594 1071957988 /nfs/dbraw/zinc/95/79/88/1071957988.db2.gz YZEMHKRCVZIVOX-HKUYNNGSSA-N 0 0 467.578 1.003 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)CC1 ZINC001504935678 1071958103 /nfs/dbraw/zinc/95/81/03/1071958103.db2.gz HNKMKAMCDVOJLQ-RBUKOAKNSA-N 0 0 462.595 1.558 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F ZINC001503640493 1071958278 /nfs/dbraw/zinc/95/82/78/1071958278.db2.gz NBQWCVLIGZRWNV-HZPDHXFCSA-N 0 0 471.530 1.883 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCOC1 ZINC001503640981 1071958296 /nfs/dbraw/zinc/95/82/96/1071958296.db2.gz WUCFBJIFRVGZRK-JOCHJYFZSA-N 0 0 466.604 1.787 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001503640971 1071958315 /nfs/dbraw/zinc/95/83/15/1071958315.db2.gz QWMKDQVUEAPOFF-ZIAGYGMSSA-N 0 0 489.524 1.716 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001504935697 1071958570 /nfs/dbraw/zinc/95/85/70/1071958570.db2.gz IALFVYKGAPIWGS-OAQYLSRUSA-N 0 0 483.617 1.517 20 0 JDADRN CN(OC1CCCC1)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001503641453 1071958659 /nfs/dbraw/zinc/95/86/59/1071958659.db2.gz XRQPNGATDLAFTN-UHFFFAOYSA-N 0 0 462.576 1.803 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CCc1csc(C(C)(C)C)n1 ZINC001503641079 1071958763 /nfs/dbraw/zinc/95/87/63/1071958763.db2.gz XQJZGPQPCTZCHC-UHFFFAOYSA-N 0 0 468.649 1.878 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COc2ccccc2O1 ZINC001503641337 1071958863 /nfs/dbraw/zinc/95/88/63/1071958863.db2.gz YUWFXJMPOWAHPD-HNNXBMFYSA-N 0 0 491.595 1.590 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COc2ccccc2O1 ZINC001503641339 1071958889 /nfs/dbraw/zinc/95/88/89/1071958889.db2.gz YUWFXJMPOWAHPD-OAHLLOKOSA-N 0 0 491.595 1.590 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001504936038 1071960799 /nfs/dbraw/zinc/96/07/99/1071960799.db2.gz NZYHDRRFTSYDLJ-DEOSSOPVSA-N 0 0 470.574 1.411 20 0 JDADRN CN1C(=O)C[C@H]2CN(c3nnc(Cc4ccsc4)n3CCOCCS(C)(=O)=O)CC[C@H]21 ZINC001503643067 1071960895 /nfs/dbraw/zinc/96/08/95/1071960895.db2.gz IRXLSFFPVOAREX-DLBZAZTESA-N 0 0 467.617 1.049 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001503641365 1071958900 /nfs/dbraw/zinc/95/89/00/1071958900.db2.gz WCOGLMMAJDEEAE-IKGGRYGDSA-N 0 0 491.593 1.954 20 0 JDADRN CN(OC1CCCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001503642247 1071959290 /nfs/dbraw/zinc/95/92/90/1071959290.db2.gz HFRNNTOMDRTOSS-INIZCTEOSA-N 0 0 468.601 1.942 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(O)CCOCC2)CC1 ZINC001504935818 1071959422 /nfs/dbraw/zinc/95/94/22/1071959422.db2.gz KCPGXYIBVWFKFR-UHFFFAOYSA-N 0 0 493.008 1.904 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)C)CC1 ZINC001504935978 1071960033 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Cn1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(N)=O)C2)n1 ZINC001503663266 1071989834 /nfs/dbraw/zinc/98/98/34/1071989834.db2.gz IXIJTIIMNVTDDJ-WBVHZDCISA-N 0 0 458.567 1.638 20 0 JDADRN Cn1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC001503662777 1071989857 /nfs/dbraw/zinc/98/98/57/1071989857.db2.gz FVBPQLPTKQEIAZ-QZTJIDSGSA-N 0 0 465.624 1.255 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCC(=O)N1CCCCCC1 ZINC001504946815 1071989879 /nfs/dbraw/zinc/98/98/79/1071989879.db2.gz BZHDUFQUOCQENU-CEXWTWQISA-N 0 0 462.595 1.510 20 0 JDADRN COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001504946779 1071989911 /nfs/dbraw/zinc/98/99/11/1071989911.db2.gz HFVSWILNCRNNKL-OALUTQOASA-N 0 0 484.601 1.840 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001504947264 1071990025 /nfs/dbraw/zinc/99/00/25/1071990025.db2.gz CJYAATBUDBMVMJ-IMFGXOCKSA-N 0 0 485.589 1.859 20 0 JDADRN Cn1ccc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)n1 ZINC001503663551 1071990266 /nfs/dbraw/zinc/99/02/66/1071990266.db2.gz MUGKSXPWKAAOTC-MRXNPFEDSA-N 0 0 465.511 1.306 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CC1CCS(=O)(=O)CC1 ZINC001504947030 1071990551 /nfs/dbraw/zinc/99/05/51/1071990551.db2.gz COFJCFMIOFJOOT-FRQCXROJSA-N 0 0 456.609 1.831 20 0 JDADRN COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001504947478 1071990670 /nfs/dbraw/zinc/99/06/70/1071990670.db2.gz IYQLBCVYLZILGS-BRWVUGGUSA-N 0 0 468.599 1.830 20 0 JDADRN COCCO[C@H](C)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1COCCO1 ZINC001504947179 1071990770 /nfs/dbraw/zinc/99/07/70/1071990770.db2.gz WZWWNDHJPJRRNJ-HIFRSBDPSA-N 0 0 462.473 1.806 20 0 JDADRN Cn1ccc(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001503663906 1071990860 /nfs/dbraw/zinc/99/08/60/1071990860.db2.gz QJGPTOTVBKYNAT-FUHWJXTLSA-N 0 0 488.593 1.264 20 0 JDADRN Cn1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)n1 ZINC001503664221 1071991002 /nfs/dbraw/zinc/99/10/02/1071991002.db2.gz UGXYNXQFJPRTSR-INIZCTEOSA-N 0 0 458.548 1.111 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001504943450 1071986098 /nfs/dbraw/zinc/98/60/98/1071986098.db2.gz HMJNOHPONKXFKI-XUVXKRRUSA-N 0 0 499.678 1.516 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CC1(O)CCCCC1 ZINC001504943021 1071986200 /nfs/dbraw/zinc/98/62/00/1071986200.db2.gz GMKRMJKEMXFMLU-TUNNFDKTSA-N 0 0 492.665 1.686 20 0 JDADRN Cn1cccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC(=O)NC1CCCCC1 ZINC001503665335 1071992076 /nfs/dbraw/zinc/99/20/76/1071992076.db2.gz NHUSVBSLDPBXBM-UHFFFAOYSA-N 0 0 477.635 1.498 20 0 JDADRN Cn1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 ZINC001503664942 1071992097 /nfs/dbraw/zinc/99/20/97/1071992097.db2.gz ZNLCFZSLNFLGTG-KRWDZBQOSA-N 0 0 477.978 1.267 20 0 JDADRN 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Cn1cccc1-c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001503666000 1071992836 /nfs/dbraw/zinc/99/28/36/1071992836.db2.gz PDOUUJOLXADCQG-UHFFFAOYSA-N 0 0 471.606 1.664 20 0 JDADRN Cn1cccc1-c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001503666245 1071993000 /nfs/dbraw/zinc/99/30/00/1071993000.db2.gz YVVPOEUGACUBML-UHFFFAOYSA-N 0 0 477.635 1.452 20 0 JDADRN Cn1cccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CCCN1CCCCCC1=O ZINC001503666006 1071993049 /nfs/dbraw/zinc/99/30/49/1071993049.db2.gz VHOGBUSLXCKYPE-UHFFFAOYSA-N 0 0 491.662 1.842 20 0 JDADRN COCCO[C@H](C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001504948892 1071993013 /nfs/dbraw/zinc/99/30/13/1071993013.db2.gz DONKXYXCBVXDEE-KZNAEPCWSA-N 0 0 456.609 1.568 20 0 JDADRN Cn1cccc1-c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCNS(C)(=O)=O ZINC001503669376 1071996915 /nfs/dbraw/zinc/99/69/15/1071996915.db2.gz ZGOKSXKQZHSBTQ-UHFFFAOYSA-N 0 0 477.635 1.452 20 0 JDADRN Cn1cccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCOc1ncccc1F 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCN1CCC(C)CC1 ZINC001505071499 1072180030 /nfs/dbraw/zinc/18/00/30/1072180030.db2.gz WAAHCAXAPSMAKD-ICSRJNTNSA-N 0 0 469.652 1.747 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCOC(F)(F)F ZINC001505071485 1072180089 /nfs/dbraw/zinc/18/00/89/1072180089.db2.gz VQXGIICQLBHAQH-ZFWWWQNUSA-N 0 0 470.514 1.942 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)C)CC2)n1CCN1CCCS1(=O)=O ZINC001505071570 1072180534 /nfs/dbraw/zinc/18/05/34/1072180534.db2.gz LDYRONBGQNTJOO-HKUYNNGSSA-N 0 0 471.624 1.431 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 ZINC001505071777 1072180747 /nfs/dbraw/zinc/18/07/47/1072180747.db2.gz FPLQDBZIIJSPNW-OTWHNJEPSA-N 0 0 492.621 1.974 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1nccc(C(F)F)n1 ZINC001505072132 1072181212 /nfs/dbraw/zinc/18/12/12/1072181212.db2.gz DAYGRYJUKLXZCX-WWGRRREGSA-N 0 0 451.478 1.480 20 0 JDADRN 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/nfs/dbraw/zinc/93/23/68/1068932368.db2.gz GZEMWODLPIKVPC-MFMILTCTSA-N 0 0 455.536 1.049 20 0 JDADRN C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001471935300 1068932512 /nfs/dbraw/zinc/93/25/12/1068932512.db2.gz GZEMWODLPIKVPC-JJXUHFIVSA-N 0 0 455.536 1.049 20 0 JDADRN O=C([C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCC(O)(COCCO)CC1 ZINC001471936073 1068932956 /nfs/dbraw/zinc/93/29/56/1068932956.db2.gz SJPLGQPNSQHECD-SFHVURJKSA-N 0 0 451.589 1.301 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H](CNC(=O)CNC(=O)c3ccsc3)OC2=O)CC1 ZINC001471944227 1068933436 /nfs/dbraw/zinc/93/34/36/1068933436.db2.gz LDMWLTLSQMEGFB-HNNXBMFYSA-N 0 0 451.545 1.927 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H](CNC(=O)CN3CCCCC(=O)C3=O)OC2=O)CC1 ZINC001471944624 1068933568 /nfs/dbraw/zinc/93/35/68/1068933568.db2.gz SJRHGKXWDWZVOP-HNNXBMFYSA-N 0 0 451.520 1.017 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(C[C@H](CNC(=O)CNC(=O)Cc3ccccc3)OC2=O)CC1 ZINC001471942987 1068933587 /nfs/dbraw/zinc/93/35/87/1068933587.db2.gz ABPVKCLAXFVYTI-GOSISDBHSA-N 0 0 459.543 1.794 20 0 JDADRN CC(C)(C)OC(=O)COCC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 ZINC001471943598 1068933596 /nfs/dbraw/zinc/93/35/96/1068933596.db2.gz DWARGVCWGABKNL-HNNXBMFYSA-N 0 0 456.536 1.794 20 0 JDADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H](CNC(=O)CSc3cccc[n+]3[O-])OC2=O)CC1 ZINC001471943090 1068933627 /nfs/dbraw/zinc/93/36/27/1068933627.db2.gz CZTHSGLSTINKSG-HNNXBMFYSA-N 0 0 451.545 1.861 20 0 JDADRN CO[C@@]1(CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CCS(=O)(=O)C1 ZINC001471945801 1068933870 /nfs/dbraw/zinc/93/38/70/1068933870.db2.gz BFJROJLINGYZAM-JOCHJYFZSA-N 0 0 452.573 1.842 20 0 JDADRN CO[C@@]1(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC001471946201 1068934617 /nfs/dbraw/zinc/93/46/17/1068934617.db2.gz NBGHNECTPUTRRJ-VOIUYBSRSA-N 0 0 452.392 1.657 20 0 JDADRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2ncon2)CC1 ZINC001471963220 1068935184 /nfs/dbraw/zinc/93/51/84/1068935184.db2.gz KBHCJWIFRBCGPH-MRXNPFEDSA-N 0 0 454.936 1.662 20 0 JDADRN Cc1nnc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)s1 ZINC001471963863 1068935348 /nfs/dbraw/zinc/93/53/48/1068935348.db2.gz PELDZHSGNCACQD-MRXNPFEDSA-N 0 0 451.574 1.266 20 0 JDADRN CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2ncon2)CC1 ZINC001471963217 1068935497 /nfs/dbraw/zinc/93/54/97/1068935497.db2.gz KBHCJWIFRBCGPH-INIZCTEOSA-N 0 0 454.936 1.662 20 0 JDADRN Cn1c(CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc(=O)n1-c1ccccc1 ZINC001471980988 1068936308 /nfs/dbraw/zinc/93/63/08/1068936308.db2.gz KSRDHSJNYXRTCZ-NRFANRHFSA-N 0 0 450.543 1.823 20 0 JDADRN Cn1c(CNC(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)cc(=O)n1-c1ccccc1 ZINC001471981600 1068936427 /nfs/dbraw/zinc/93/64/27/1068936427.db2.gz UBARYYNRRVGOEL-UHFFFAOYSA-N 0 0 456.543 1.944 20 0 JDADRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC001471986411 1068937239 /nfs/dbraw/zinc/93/72/39/1068937239.db2.gz BTEOETNPGVEJAM-GOSISDBHSA-N 0 0 454.593 1.207 20 0 JDADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCN=S(C)(C)=O)c12 ZINC001471982532 1068937327 /nfs/dbraw/zinc/93/73/27/1068937327.db2.gz DZHVCNPSUSXBBR-AWEZNQCLSA-N 0 0 453.590 1.434 20 0 JDADRN COc1ccc([S@](C)(=O)=NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC001471988796 1068937913 /nfs/dbraw/zinc/93/79/13/1068937913.db2.gz DOJRZQAEXQQVRW-LJAQVGFWSA-N 0 0 451.526 1.113 20 0 JDADRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001471986912 1068937942 /nfs/dbraw/zinc/93/79/42/1068937942.db2.gz PVTVVIOCBLCFBH-ZOKDDAQRSA-N 0 0 452.554 1.912 20 0 JDADRN NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)c[nH]1 ZINC001471993170 1068938645 /nfs/dbraw/zinc/93/86/45/1068938645.db2.gz GNAUMJOJXZXAFA-ZDUSSCGKSA-N 0 0 453.952 1.396 20 0 JDADRN C[S@@](=O)CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC001471998474 1068938693 /nfs/dbraw/zinc/93/86/93/1068938693.db2.gz RYQXNCLMAQCCBP-BSNNYGBQSA-N 0 0 457.437 1.939 20 0 JDADRN COc1ccc([S@](C)(=O)=NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1 ZINC001471989008 1068938716 /nfs/dbraw/zinc/93/87/16/1068938716.db2.gz GPRSNTJFPJTTFN-NDEPHWFRSA-N 0 0 459.571 1.355 20 0 JDADRN C[S@](=O)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001471998995 1068939095 /nfs/dbraw/zinc/93/90/95/1068939095.db2.gz ZOYTWSAMSJZUMK-RZFZLAGVSA-N 0 0 451.408 1.735 20 0 JDADRN CC(C)O[C@]1(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOC1 ZINC001471999159 1068939131 /nfs/dbraw/zinc/93/91/31/1068939131.db2.gz WVQOLMCAXVJGNO-NRFANRHFSA-N 0 0 456.561 1.607 20 0 JDADRN O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001472001011 1068939212 /nfs/dbraw/zinc/93/92/12/1068939212.db2.gz PYOHZDNVYKWESL-ZDUSSCGKSA-N 0 0 457.346 1.791 20 0 JDADRN COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)[C@@H]([C@@H]2CCCO2)C1 ZINC001472002621 1068939595 /nfs/dbraw/zinc/93/95/95/1068939595.db2.gz BOZCCMJECGPZAN-QRQLOZEOSA-N 0 0 452.529 1.127 20 0 JDADRN COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)nc1I ZINC001472001690 1068939691 /nfs/dbraw/zinc/93/96/91/1068939691.db2.gz DBEIJEKGDDHGFX-SNVBAGLBSA-N 0 0 450.298 1.925 20 0 JDADRN CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)ccc1Cl ZINC001472001056 1068939718 /nfs/dbraw/zinc/93/97/18/1068939718.db2.gz SLZGGNLXFCKUCW-ZDUSSCGKSA-N 0 0 450.966 1.752 20 0 JDADRN COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)[C@@H]([C@H]2CCCO2)C1 ZINC001472002618 1068939740 /nfs/dbraw/zinc/93/97/40/1068939740.db2.gz BOZCCMJECGPZAN-BHIYHBOVSA-N 0 0 452.529 1.127 20 0 JDADRN COC(=O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H]([C@H]2CCCO2)C1 ZINC001472002638 1068940257 /nfs/dbraw/zinc/94/02/57/1068940257.db2.gz CBNSQWKSOFWYNN-DJIMGWMZSA-N 0 0 458.964 1.968 20 0 JDADRN COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)O1 ZINC001472009230 1068940608 /nfs/dbraw/zinc/94/06/08/1068940608.db2.gz DMKBMTGYTRGYMB-SNRMKQJTSA-N 0 0 451.545 1.002 20 0 JDADRN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CC(=O)NC[C@H]2c2ccccc2)c1 ZINC001472008023 1068940711 /nfs/dbraw/zinc/94/07/11/1068940711.db2.gz MTJBFWAGTNYQOJ-SFHVURJKSA-N 0 0 450.524 1.859 20 0 JDADRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001472009551 1068940753 /nfs/dbraw/zinc/94/07/53/1068940753.db2.gz GECCPFMPGATVNV-YWZLYKJASA-N 0 0 455.581 1.479 20 0 JDADRN CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1C[C@H](CO)C1 ZINC001472009508 1068940780 /nfs/dbraw/zinc/94/07/80/1068940780.db2.gz SXMIQVKHORTYKM-WHOFXGATSA-N 0 0 451.408 1.736 20 0 JDADRN COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)O1 ZINC001472009231 1068940790 /nfs/dbraw/zinc/94/07/90/1068940790.db2.gz DMKBMTGYTRGYMB-ZYSHUDEJSA-N 0 0 451.545 1.002 20 0 JDADRN O=C(N[C@H]1C[C@H](CO)C1)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F ZINC001472009647 1068940840 /nfs/dbraw/zinc/94/08/40/1068940840.db2.gz VJLMQVUQAPUCAW-UMSPYCQHSA-N 0 0 451.314 1.110 20 0 JDADRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001472009549 1068940866 /nfs/dbraw/zinc/94/08/66/1068940866.db2.gz GECCPFMPGATVNV-MGPUTAFESA-N 0 0 455.581 1.479 20 0 JDADRN COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)O1 ZINC001472009664 1068941127 /nfs/dbraw/zinc/94/11/27/1068941127.db2.gz HWGQHZDFOORWNY-TYPHKJRUSA-N 0 0 452.573 1.481 20 0 JDADRN C[C@@H](CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)c1ncon1 ZINC001472029407 1068942088 /nfs/dbraw/zinc/94/20/88/1068942088.db2.gz PWGDWGASLBPMQP-NSHDSACASA-N 0 0 459.322 1.387 20 0 JDADRN CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 ZINC001472022879 1068942106 /nfs/dbraw/zinc/94/21/06/1068942106.db2.gz LBTBVAPXDKGCAC-SECBINFHSA-N 0 0 452.758 1.690 20 0 JDADRN O=C(NCc1ccc(F)nc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001472024334 1068942189 /nfs/dbraw/zinc/94/21/89/1068942189.db2.gz JBVZKCNMXSMHLN-UHFFFAOYSA-N 0 0 458.309 1.934 20 0 JDADRN O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001472030417 1068942649 /nfs/dbraw/zinc/94/26/49/1068942649.db2.gz WVIVBBOQUPHHTE-LMMKCTJWSA-N 0 0 458.650 1.519 20 0 JDADRN O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001472030317 1068942731 /nfs/dbraw/zinc/94/27/31/1068942731.db2.gz SJPUYTRLGSNJQK-ZWKOTPCHSA-N 0 0 453.586 1.497 20 0 JDADRN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC001472030761 1068942766 /nfs/dbraw/zinc/94/27/66/1068942766.db2.gz GKWOHZHDGOQZDF-IRXDYDNUSA-N 0 0 455.408 1.597 20 0 JDADRN O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001472030418 1068942771 /nfs/dbraw/zinc/94/27/71/1068942771.db2.gz WVIVBBOQUPHHTE-ZHALLVOQSA-N 0 0 458.650 1.519 20 0 JDADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)CC1CCCCC1 ZINC001472031411 1068943101 /nfs/dbraw/zinc/94/31/01/1068943101.db2.gz HMBBZVZAXWRSPF-ZWKOTPCHSA-N 0 0 458.625 1.991 20 0 JDADRN Cc1ccccc1[C@@H](CC(=O)N1CCn2ncc(I)c2C1)NC(N)=O ZINC001472033687 1068943304 /nfs/dbraw/zinc/94/33/04/1068943304.db2.gz UTIFMIAFCIJIAV-CQSZACIVSA-N 0 0 453.284 1.938 20 0 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ZINC001499807859 1069091956 /nfs/dbraw/zinc/09/19/56/1069091956.db2.gz AGVDMNPOWALJRM-SNAWJCMRSA-N 0 0 456.547 1.525 20 0 JDADRN CC/C=C/Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001499803827 1069091990 /nfs/dbraw/zinc/09/19/90/1069091990.db2.gz FJCVDSFGVMUTMM-SNAWJCMRSA-N 0 0 471.953 1.909 20 0 JDADRN CC/C=C\Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001499803230 1069092043 /nfs/dbraw/zinc/09/20/43/1069092043.db2.gz BQWGREYDTBQJEL-WAYWQWQTSA-N 0 0 478.561 1.060 20 0 JDADRN COc1ccc(Br)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC001546271079 1069092777 /nfs/dbraw/zinc/09/27/77/1069092777.db2.gz QYHGUSRTZNZNMT-SNVBAGLBSA-N 0 0 456.318 1.862 20 0 JDADRN CC/C=C/Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001499820919 1069092829 /nfs/dbraw/zinc/09/28/29/1069092829.db2.gz VSUZFBMRNLAMHX-ZEDVSWOJSA-N 0 0 452.515 1.518 20 0 JDADRN CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001499825984 1069092888 /nfs/dbraw/zinc/09/28/88/1069092888.db2.gz ABPGUMPXKBKLNW-SGUAIBKKSA-N 0 0 470.596 1.292 20 0 JDADRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1=O ZINC001473198069 1069093017 /nfs/dbraw/zinc/09/30/17/1069093017.db2.gz RDZHFWNCYVXQPO-GAJHUEQPSA-N 0 0 459.547 1.816 20 0 JDADRN CCc1nsc(N2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC001473199540 1069093168 /nfs/dbraw/zinc/09/31/68/1069093168.db2.gz NBSNLRNDDATCHA-KGLIPLIRSA-N 0 0 452.606 1.136 20 0 JDADRN CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001499826431 1069093173 /nfs/dbraw/zinc/09/31/73/1069093173.db2.gz DJRZJVQJDJASJP-ISZGNANSSA-N 0 0 489.524 1.813 20 0 JDADRN CCc1nsc(N2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC001473199539 1069093337 /nfs/dbraw/zinc/09/33/37/1069093337.db2.gz NBSNLRNDDATCHA-KBPBESRZSA-N 0 0 452.606 1.136 20 0 JDADRN CCn1c(=O)c(C(=O)CN(C)[C@@H](CCO)c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC001473200615 1069093395 /nfs/dbraw/zinc/09/33/95/1069093395.db2.gz IHTMJZBSABNXSY-FQEVSTJZSA-N 0 0 450.539 1.899 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001499826443 1069093460 /nfs/dbraw/zinc/09/34/60/1069093460.db2.gz DLTFZXZEUAQGGT-BUIZIQSISA-N 0 0 491.614 1.861 20 0 JDADRN CC/C=C/Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001499829014 1069093662 /nfs/dbraw/zinc/09/36/62/1069093662.db2.gz IBBFNHLOCAVEML-SGSXCFNPSA-N 0 0 454.579 1.760 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001499827763 1069093714 /nfs/dbraw/zinc/09/37/14/1069093714.db2.gz KEBNBOLZKYAZJJ-DDKKJVIOSA-N 0 0 458.588 1.572 20 0 JDADRN CC/C=C/Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001499829012 1069093841 /nfs/dbraw/zinc/09/38/41/1069093841.db2.gz IBBFNHLOCAVEML-DPZZJQGRSA-N 0 0 454.579 1.760 20 0 JDADRN CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001499827768 1069093886 /nfs/dbraw/zinc/09/38/86/1069093886.db2.gz KEBNBOLZKYAZJJ-OAJJDEHYSA-N 0 0 458.588 1.572 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001499829877 1069094332 /nfs/dbraw/zinc/09/43/32/1069094332.db2.gz QKJGESSFBMXLOM-UDLYIEAKSA-N 0 0 468.605 1.612 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001499829878 1069094476 /nfs/dbraw/zinc/09/44/76/1069094476.db2.gz QKJGESSFBMXLOM-XETQRACLSA-N 0 0 468.605 1.612 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 ZINC001499831162 1069095367 /nfs/dbraw/zinc/09/53/67/1069095367.db2.gz XXNJTRSIZJSYMN-PYTPGESOSA-N 0 0 453.609 1.516 20 0 JDADRN CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001499831438 1069095423 /nfs/dbraw/zinc/09/54/23/1069095423.db2.gz YSHHFUIWBAEYLF-VZSQWMKGSA-N 0 0 480.635 1.416 20 0 JDADRN CO[C@H](C)c1noc(CN2CCCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)n1 ZINC001473209215 1069095626 /nfs/dbraw/zinc/09/56/26/1069095626.db2.gz NVUJLNHCXYQPFW-MRXNPFEDSA-N 0 0 456.547 1.816 20 0 JDADRN CC/C=C\Cn1c(COc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001499856834 1069095995 /nfs/dbraw/zinc/09/59/95/1069095995.db2.gz UUXBPYVYXLPOPH-WAYWQWQTSA-N 0 0 484.536 1.429 20 0 JDADRN COC(=O)[C@]1(F)CCN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001473217721 1069096325 /nfs/dbraw/zinc/09/63/25/1069096325.db2.gz KBIHIZHITWCDPM-KRWDZBQOSA-N 0 0 452.836 1.989 20 0 JDADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)C[C@@H](O)CN2CCOCC2)sc2c1CCCC2 ZINC001473216122 1069096502 /nfs/dbraw/zinc/09/65/02/1069096502.db2.gz TUQHORFQVQOWCV-HZPDHXFCSA-N 0 0 453.605 1.756 20 0 JDADRN COc1cc(CN2CCN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)cc(OC)c1 ZINC001473217785 1069096561 /nfs/dbraw/zinc/09/65/61/1069096561.db2.gz SQXXIWGOTQWVBH-UHFFFAOYSA-N 0 0 458.603 1.682 20 0 JDADRN CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 ZINC001499867091 1069096574 /nfs/dbraw/zinc/09/65/74/1069096574.db2.gz NHDHKQYPEOAPNF-ZWKOTPCHSA-N 0 0 489.598 1.966 20 0 JDADRN CCCC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)cc1 ZINC001499866904 1069096657 /nfs/dbraw/zinc/09/66/57/1069096657.db2.gz HVHWTFNFEWCPKD-LJQANCHMSA-N 0 0 483.573 1.311 20 0 JDADRN CC/C=C/Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001499863952 1069096811 /nfs/dbraw/zinc/09/68/11/1069096811.db2.gz OPZAIHHNSWXRRD-YQTDCCHMSA-N 0 0 473.578 1.954 20 0 JDADRN CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)cc1 ZINC001499866945 1069096828 /nfs/dbraw/zinc/09/68/28/1069096828.db2.gz JLAIQKFTDLIGMD-KRWDZBQOSA-N 0 0 460.560 1.251 20 0 JDADRN CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 ZINC001499867606 1069097279 /nfs/dbraw/zinc/09/72/79/1069097279.db2.gz XGOWSKYNEIDCSR-WMZOPIPTSA-N 0 0 453.547 1.718 20 0 JDADRN CCCC(=O)Nc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC001499867454 1069097294 /nfs/dbraw/zinc/09/72/94/1069097294.db2.gz UXVFYJMRRCENFH-UHFFFAOYSA-N 0 0 483.617 1.608 20 0 JDADRN CCCC(=O)Nc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001499870466 1069097308 /nfs/dbraw/zinc/09/73/08/1069097308.db2.gz TVEJQAUWKSQTKZ-LPHOPBHVSA-N 0 0 467.574 1.726 20 0 JDADRN CC(C)(C)OC(=O)[C@@H]1CCCN1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001473219051 1069097508 /nfs/dbraw/zinc/09/75/08/1069097508.db2.gz AVLDZANATWFBSN-KRWDZBQOSA-N 0 0 450.561 1.902 20 0 JDADRN CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)C1 ZINC001499871375 1069097536 /nfs/dbraw/zinc/09/75/36/1069097536.db2.gz GTLHPQPXQJXGHF-QGZVFWFLSA-N 0 0 484.561 1.653 20 0 JDADRN CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOC(C)(C)C2)C1 ZINC001499871695 1069097802 /nfs/dbraw/zinc/09/78/02/1069097802.db2.gz KPAHGRZVNQMVPG-GOSISDBHSA-N 0 0 463.627 1.412 20 0 JDADRN O=C(CN1CCN(C[C@H](O)COC2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC001473220973 1069097865 /nfs/dbraw/zinc/09/78/65/1069097865.db2.gz RYCATNKLQWGWJU-SFHVURJKSA-N 0 0 456.381 1.562 20 0 JDADRN CCOc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001473223133 1069098106 /nfs/dbraw/zinc/09/81/06/1069098106.db2.gz KXQLNIYFTXEXKS-UHFFFAOYSA-N 0 0 453.543 1.769 20 0 JDADRN CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001499871935 1069098267 /nfs/dbraw/zinc/09/82/67/1069098267.db2.gz OWSNQJVLTASEJR-MOPGFXCFSA-N 0 0 461.611 1.560 20 0 JDADRN CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccn(C)n2)C1 ZINC001499871765 1069098283 /nfs/dbraw/zinc/09/82/83/1069098283.db2.gz MOLJAMYBHKQCSJ-SFHVURJKSA-N 0 0 465.562 1.787 20 0 JDADRN CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001499871936 1069098380 /nfs/dbraw/zinc/09/83/80/1069098380.db2.gz OWSNQJVLTASEJR-OALUTQOASA-N 0 0 461.611 1.560 20 0 JDADRN CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001499874752 1069098709 /nfs/dbraw/zinc/09/87/09/1069098709.db2.gz ATMGMEXCZNKMDJ-GNBUJSLZSA-N 0 0 484.667 1.835 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC001473224197 1069098696 /nfs/dbraw/zinc/09/86/96/1069098696.db2.gz MVLDAEVALSNHJS-OAHLLOKOSA-N 0 0 458.531 1.250 20 0 JDADRN Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCC[C@H]3c3cccs3)CC2)cn1C ZINC001473223764 1069098923 /nfs/dbraw/zinc/09/89/23/1069098923.db2.gz HSFJBYNYKDQDGI-WBVHZDCISA-N 0 0 451.618 1.849 20 0 JDADRN CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001499873129 1069098798 /nfs/dbraw/zinc/09/87/98/1069098798.db2.gz ZPJALUMRINIOFQ-SJORKVTESA-N 0 0 454.641 1.742 20 0 JDADRN CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001499874754 1069099018 /nfs/dbraw/zinc/09/90/18/1069099018.db2.gz ATMGMEXCZNKMDJ-JRBPQWBISA-N 0 0 484.667 1.835 20 0 JDADRN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC001473223709 1069099086 /nfs/dbraw/zinc/09/90/86/1069099086.db2.gz OWIVCJXMLCGTDT-FQEVSTJZSA-N 0 0 453.948 1.028 20 0 JDADRN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC001473224895 1069099319 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C[C@H]([C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CC(=O)NCCc1ccccc1)S(C)(=O)=O ZINC001508429498 1073223835 /nfs/dbraw/zinc/22/38/35/1073223835.db2.gz BUPFPTKFFSESPW-DLBZAZTESA-N 0 0 458.588 1.890 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C ZINC001508429214 1073223894 /nfs/dbraw/zinc/22/38/94/1073223894.db2.gz BPCZMWBOGJPWCN-VXGBXAGGSA-N 0 0 475.413 1.392 20 0 JDADRN CC(C)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508429872 1073224495 /nfs/dbraw/zinc/22/44/95/1073224495.db2.gz BPTMQYGAGSFQMW-VQTJNVASSA-N 0 0 494.706 1.995 20 0 JDADRN CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001508430654 1073225265 /nfs/dbraw/zinc/22/52/65/1073225265.db2.gz DKSGVDFXOFHBLP-HOYKHHGWSA-N 0 0 455.607 1.460 20 0 JDADRN CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001508430679 1073226115 /nfs/dbraw/zinc/22/61/15/1073226115.db2.gz DKSGVDFXOFHBLP-UUOWRZLLSA-N 0 0 455.607 1.460 20 0 JDADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001508431331 1073226795 /nfs/dbraw/zinc/22/67/95/1073226795.db2.gz FUIFRYHUWPIHIO-UAIZEJDJSA-N 0 0 473.647 1.676 20 0 JDADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001508431335 1073226936 /nfs/dbraw/zinc/22/69/36/1073226936.db2.gz FUIFRYHUWPIHIO-UGAOPGRHSA-N 0 0 473.647 1.676 20 0 JDADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)nc1)S(C)(=O)=O ZINC001508432219 1073227679 /nfs/dbraw/zinc/22/76/79/1073227679.db2.gz GUTUZAFULTZKSK-DLBZAZTESA-N 0 0 472.619 1.980 20 0 JDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 ZINC001508431513 1073227906 /nfs/dbraw/zinc/22/79/06/1073227906.db2.gz DTLJSHHROQWTRI-SJORKVTESA-N 0 0 483.660 1.702 20 0 JDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nccn1C(F)F ZINC001508432164 1073228478 /nfs/dbraw/zinc/22/84/78/1073228478.db2.gz GEDPYWBSSKCPAM-OLZOCXBDSA-N 0 0 459.523 1.412 20 0 JDADRN C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nccn1C(F)F)S(C)(=O)=O ZINC001508432184 1073228547 /nfs/dbraw/zinc/22/85/47/1073228547.db2.gz GEDPYWBSSKCPAM-QWHCGFSZSA-N 0 0 459.523 1.412 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C3CCCC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001508432079 1073228613 /nfs/dbraw/zinc/22/86/13/1073228613.db2.gz HOWDRCZQJCPDCE-LJQANCHMSA-N 0 0 496.678 1.130 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)F)CC1 ZINC001508432681 1073229573 /nfs/dbraw/zinc/22/95/73/1073229573.db2.gz JEPPDBMWVCCQMN-QGZVFWFLSA-N 0 0 483.564 1.163 20 0 JDADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3cnccn3)n2CCOC(C)(C)C)CC1 ZINC001508433025 1073230004 /nfs/dbraw/zinc/23/00/04/1073230004.db2.gz KRALHARKSMPDPO-SFHVURJKSA-N 0 0 456.595 1.683 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCc2nccn2C1 ZINC001508433127 1073230199 /nfs/dbraw/zinc/23/01/99/1073230199.db2.gz IMYRYYONGKTKQG-BRWVUGGUSA-N 0 0 463.608 1.231 20 0 JDADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC(=O)N1 ZINC001508433172 1073230758 /nfs/dbraw/zinc/23/07/58/1073230758.db2.gz IRCAHRAQCZIHCD-YQQAZPJKSA-N 0 0 471.587 1.872 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc([C@H]3CCCOC3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001508433449 1073230964 /nfs/dbraw/zinc/23/09/64/1073230964.db2.gz NDVFUSKTLCQKMX-WSYWFWNMSA-N 0 0 494.706 1.852 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC1 ZINC001508433534 1073230998 /nfs/dbraw/zinc/23/09/98/1073230998.db2.gz KBWWGIQYPKCDMX-BRWVUGGUSA-N 0 0 499.659 1.490 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(Cc3ccncc3)n2CCC(C)(C)O)CC1 ZINC001508433489 1073231215 /nfs/dbraw/zinc/23/12/15/1073231215.db2.gz NJQRFVWNBKVAMF-LJQANCHMSA-N 0 0 455.607 1.558 20 0 JDADRN C[C@H]([C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC1CCOCC1)S(C)(=O)=O ZINC001508433583 1073231574 /nfs/dbraw/zinc/23/15/74/1073231574.db2.gz KHINDUIEIVXYRM-JKSUJKDBSA-N 0 0 464.592 2.000 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCn1cc([C@@H]2CCOC2)cn1 ZINC001508433753 1073231694 /nfs/dbraw/zinc/23/16/94/1073231694.db2.gz KVVYPTSJEKWFBN-BRWVUGGUSA-N 0 0 461.592 1.932 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001508433861 1073231996 /nfs/dbraw/zinc/23/19/96/1073231996.db2.gz QORTVNHMIUGWJM-PIJWYQRNSA-N 0 0 475.663 1.953 20 0 JDADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001508433853 1073232040 /nfs/dbraw/zinc/23/20/40/1073232040.db2.gz QIXCHQFITPIUIM-UJQZNKFNSA-N 0 0 464.680 1.957 20 0 JDADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001508433849 1073232085 /nfs/dbraw/zinc/23/20/85/1073232085.db2.gz QIXCHQFITPIUIM-HYJWCJBQSA-N 0 0 464.680 1.957 20 0 JDADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 ZINC001508433852 1073232175 /nfs/dbraw/zinc/23/21/75/1073232175.db2.gz QIXCHQFITPIUIM-IQVDJAOASA-N 0 0 464.680 1.957 20 0 JDADRN C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1COCCO1)S(C)(=O)=O ZINC001508434907 1073233170 /nfs/dbraw/zinc/23/31/70/1073233170.db2.gz DSESOMOVLOFKBK-DAYGRLMNSA-N 0 0 456.540 1.669 20 0 JDADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 ZINC001508434312 1073233289 /nfs/dbraw/zinc/23/32/89/1073233289.db2.gz MTVXTTPMRAKICS-MRXNPFEDSA-N 0 0 495.049 1.356 20 0 JDADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)n1 ZINC001508434593 1073233330 /nfs/dbraw/zinc/23/33/30/1073233330.db2.gz AJBMBAOCIMLELF-OALUTQOASA-N 0 0 499.641 1.802 20 0 JDADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001508434259 1073233360 /nfs/dbraw/zinc/23/33/60/1073233360.db2.gz MLIKKNUXVYEWCM-KHCICDEESA-N 0 0 462.639 1.758 20 0 JDADRN CC(C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001508434254 1073233414 /nfs/dbraw/zinc/23/34/14/1073233414.db2.gz MLIKKNUXVYEWCM-IMWIBFENSA-N 0 0 462.639 1.758 20 0 JDADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N(C)C)CC1 ZINC001508434782 1073233652 /nfs/dbraw/zinc/23/36/52/1073233652.db2.gz UFFSTBVTQAPZKF-GOSISDBHSA-N 0 0 473.647 1.542 20 0 JDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ncn(C)n1 ZINC001508435043 1073233928 /nfs/dbraw/zinc/23/39/28/1073233928.db2.gz FAILJLHYCBNIJI-KGLIPLIRSA-N 0 0 451.528 1.431 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O ZINC001508436648 1073234329 /nfs/dbraw/zinc/23/43/29/1073234329.db2.gz OSQYEBBRMKIYIJ-DOQJBMMISA-N 0 0 477.587 1.452 20 0 JDADRN C[C@H]([C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCS(C)(=O)=O)S(C)(=O)=O ZINC001508435063 1073234556 /nfs/dbraw/zinc/23/45/56/1073234556.db2.gz FDEAEFUDIDTRAC-DLBZAZTESA-N 0 0 481.644 1.974 20 0 JDADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)CC1CC1 ZINC001508435708 1073234846 /nfs/dbraw/zinc/23/48/46/1073234846.db2.gz AGCYXRXZLSNSQB-BFYDXBDKSA-N 0 0 462.638 1.602 20 0 JDADRN CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001508435903 1073234935 /nfs/dbraw/zinc/23/49/35/1073234935.db2.gz GRSBNMDGGBPRBN-UHFFFAOYSA-N 0 0 485.564 1.987 20 0 JDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)CC1CC1 ZINC001508435722 1073235041 /nfs/dbraw/zinc/23/50/41/1073235041.db2.gz AGCYXRXZLSNSQB-VYDXJSESSA-N 0 0 462.638 1.602 20 0 JDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)CC1CC1 ZINC001508435713 1073235127 /nfs/dbraw/zinc/23/51/27/1073235127.db2.gz AGCYXRXZLSNSQB-HLLBOEOZSA-N 0 0 462.638 1.602 20 0 JDADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CC1 ZINC001508436542 1073235553 /nfs/dbraw/zinc/23/55/53/1073235553.db2.gz VZRDJNSPGSKNCE-HOTGVXAUSA-N 0 0 456.538 1.591 20 0 JDADRN CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001508436577 1073235591 /nfs/dbraw/zinc/23/55/91/1073235591.db2.gz WGTVZIYEEAOQHA-MBSDFSHPSA-N 0 0 458.611 1.219 20 0 JDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001508436807 1073236001 /nfs/dbraw/zinc/23/60/01/1073236001.db2.gz DYRFUTPDASNKGU-RYRKJORJSA-N 0 0 475.681 1.550 20 0 JDADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 ZINC001508436630 1073236033 /nfs/dbraw/zinc/23/60/33/1073236033.db2.gz WWMWSDSORPBMAX-INIZCTEOSA-N 0 0 474.009 1.866 20 0 JDADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001508436701 1073236044 /nfs/dbraw/zinc/23/60/44/1073236044.db2.gz PPTOYDWBUIEQCP-HOTGVXAUSA-N 0 0 494.643 1.529 20 0 JDADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCOCC1)S(C)(=O)=O ZINC001508436871 1073236623 /nfs/dbraw/zinc/23/66/23/1073236623.db2.gz QEAUTFQGIOCVLK-JKSUJKDBSA-N 0 0 467.567 1.591 20 0 JDADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001508436935 1073236745 /nfs/dbraw/zinc/23/67/45/1073236745.db2.gz DQUACCIQPJHYGS-OAHLLOKOSA-N 0 0 457.583 1.319 20 0 JDADRN 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CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccn(C)n2)C1 ZINC001502465578 1070505426 /nfs/dbraw/zinc/50/54/26/1070505426.db2.gz BRVIJEVBYXPICN-KXBFYZLASA-N 0 0 477.566 1.857 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cc(F)cc(F)c2)C1 ZINC001502465650 1070505595 /nfs/dbraw/zinc/50/55/95/1070505595.db2.gz DDKKWDZKFGWWKR-UGKGYDQZSA-N 0 0 499.584 1.969 20 0 JDADRN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCOCC2)CCS1 ZINC001494224648 1070505732 /nfs/dbraw/zinc/50/57/32/1070505732.db2.gz QLIGOVKIJWEHIY-HNNXBMFYSA-N 0 0 479.628 1.572 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 ZINC001494224654 1070506399 /nfs/dbraw/zinc/50/63/99/1070506399.db2.gz QTLGXCZVIGIOFI-CRAIPNDOSA-N 0 0 476.603 1.335 20 0 JDADRN C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2CCCCO2)CC(=O)N1C ZINC001494225513 1070506791 /nfs/dbraw/zinc/50/67/91/1070506791.db2.gz UENUZUMJJRLFHM-HKUYNNGSSA-N 0 0 490.630 1.822 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccsc2)C1 ZINC001502466066 1070508139 /nfs/dbraw/zinc/50/81/39/1070508139.db2.gz KTKGGRLPILNFRB-LPHOPBHVSA-N 0 0 455.606 1.558 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(=O)N(C)C)C1 ZINC001502466082 1070508174 /nfs/dbraw/zinc/50/81/74/1070508174.db2.gz LEDKKROYIVHRPO-MRXNPFEDSA-N 0 0 471.587 1.408 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2ccnn2)C[C@@H](C)O1 ZINC001494226358 1070508520 /nfs/dbraw/zinc/50/85/20/1070508520.db2.gz XMYDKYOVMHDPED-IAGOWNOFSA-N 0 0 474.591 1.491 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C)cs2)C1 ZINC001502466183 1070509291 /nfs/dbraw/zinc/50/92/91/1070509291.db2.gz MTYHLEMFNBDQRY-JXFKEZNVSA-N 0 0 484.648 1.650 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)C1 ZINC001502466101 1070509319 /nfs/dbraw/zinc/50/93/19/1070509319.db2.gz LOCDHCJJNWUAQD-ROUUACIJSA-N 0 0 488.618 1.730 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCS(=O)(=O)C2)CCS1 ZINC001494226609 1070509386 /nfs/dbraw/zinc/50/93/86/1070509386.db2.gz ZHODZZOOIGBEGT-HZPDHXFCSA-N 0 0 499.684 1.572 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 ZINC001494226694 1070509844 /nfs/dbraw/zinc/50/98/44/1070509844.db2.gz ANYUKYKIXOXYNC-BRWVUGGUSA-N 0 0 482.628 1.787 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccnc2N2CCOCC2)C1 ZINC001502466178 1070509799 /nfs/dbraw/zinc/50/97/99/1070509799.db2.gz MRRJJFLIPFMIIS-PKOBYXMFSA-N 0 0 477.635 1.590 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(F)CCC2)C1 ZINC001502466312 1070510483 /nfs/dbraw/zinc/51/04/83/1070510483.db2.gz PAOZFJKKKRHFJX-OXJNMPFZSA-N 0 0 459.588 1.731 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2F)C1 ZINC001502466350 1070510516 /nfs/dbraw/zinc/51/05/16/1070510516.db2.gz PQSOKZYPGZWRDE-XMSQKQJNSA-N 0 0 497.593 1.644 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)C1 ZINC001502466341 1070510603 /nfs/dbraw/zinc/51/06/03/1070510603.db2.gz PPNLMDVDDQLSDK-RBSBEOHCSA-N 0 0 453.634 1.846 20 0 JDADRN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCO)C[C@@H]1N1CCOCC1 ZINC001494226875 1070510753 /nfs/dbraw/zinc/51/07/53/1070510753.db2.gz FBTLGPNQKKYRGT-RXVVDRJESA-N 0 0 477.631 1.668 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N(C)CC)C1 ZINC001502466364 1070511448 /nfs/dbraw/zinc/51/14/48/1070511448.db2.gz PYHFVYYFWWSXBC-OALUTQOASA-N 0 0 462.620 1.816 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNC(=O)C2CCC2)CCO1 ZINC001494228815 1070512907 /nfs/dbraw/zinc/51/29/07/1070512907.db2.gz UCTGTTYTROBSSP-MRXNPFEDSA-N 0 0 461.588 1.880 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CC(C)(C)C2)C1 ZINC001502466571 1070512931 /nfs/dbraw/zinc/51/29/31/1070512931.db2.gz SSAWVLPXSSRQNP-DYESRHJHSA-N 0 0 455.625 1.884 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOC(C)(C)C)C1 ZINC001502466483 1070512029 /nfs/dbraw/zinc/51/20/29/1070512029.db2.gz ROFMIRFAQOGEDL-JXFKEZNVSA-N 0 0 459.613 1.263 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@@H]2CCOC2)CC(=O)N1C ZINC001494228288 1070512129 /nfs/dbraw/zinc/51/21/29/1070512129.db2.gz PFSJCQAOJRETPJ-MSOLQXFVSA-N 0 0 491.614 1.459 20 0 JDADRN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)N(C)C)CC(C)(C)O1 ZINC001494228143 1070512349 /nfs/dbraw/zinc/51/23/49/1070512349.db2.gz OQIBLMONIHWLOG-HNNXBMFYSA-N 0 0 485.632 1.244 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2COCCO2)CC(=O)N1C ZINC001494248198 1070517643 /nfs/dbraw/zinc/51/76/43/1070517643.db2.gz DSYKHLTYHWPFHX-JSGCOSHPSA-N 0 0 468.327 1.929 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CC(C)(C)C2)C1 ZINC001502466574 1070513767 /nfs/dbraw/zinc/51/37/67/1070513767.db2.gz SSAWVLPXSSRQNP-UWJYYQICSA-N 0 0 455.625 1.884 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2COCCO2)CC(=O)N1C ZINC001494248200 1070517875 /nfs/dbraw/zinc/51/78/75/1070517875.db2.gz DSYKHLTYHWPFHX-TZMCWYRMSA-N 0 0 468.327 1.929 20 0 JDADRN C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(Cl)nc3)n1CCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001494248796 1070517898 /nfs/dbraw/zinc/51/78/98/1070517898.db2.gz IKYRUPQIDOLLPP-TYILLQQXSA-N 0 0 470.983 1.315 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N2CCOCC2)CC(=O)N1C ZINC001494232694 1070514517 /nfs/dbraw/zinc/51/45/17/1070514517.db2.gz HLVGWGGDGOYBJL-ZDUSSCGKSA-N 0 0 497.419 1.685 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2CCNC(=O)Cc2cccc(F)c2)C1 ZINC001502466641 1070514752 /nfs/dbraw/zinc/51/47/52/1070514752.db2.gz ULPRIPFQDIURRR-GOSISDBHSA-N 0 0 466.583 1.418 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC(=O)N1C ZINC001494235341 1070515620 /nfs/dbraw/zinc/51/56/20/1070515620.db2.gz FWMOTYXYGGPLQP-WAIKUNEKSA-N 0 0 475.615 1.459 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCSC2)C1 ZINC001502468518 1070515697 /nfs/dbraw/zinc/51/56/97/1070515697.db2.gz AHQPMNUINNTMKO-IIBYNOLFSA-N 0 0 497.643 1.348 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC(=O)N1C ZINC001494235339 1070515850 /nfs/dbraw/zinc/51/58/50/1070515850.db2.gz FWMOTYXYGGPLQP-MWTRTKDXSA-N 0 0 475.615 1.459 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001502466819 1070515998 /nfs/dbraw/zinc/51/59/98/1070515998.db2.gz XTDDWOUHWUXBFY-IRXDYDNUSA-N 0 0 454.622 1.240 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC2CC2)CC(=O)N1C ZINC001494235092 1070516062 /nfs/dbraw/zinc/51/60/62/1070516062.db2.gz VBITVGDNICUVBI-ZDUSSCGKSA-N 0 0 461.364 1.901 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)nc2)C1 ZINC001502466917 1070516202 /nfs/dbraw/zinc/51/62/02/1070516202.db2.gz ZHZDRULILQKPPF-JXFKEZNVSA-N 0 0 485.010 1.545 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C[C@H]1N1CCOCC1 ZINC001494242428 1070516482 /nfs/dbraw/zinc/51/64/82/1070516482.db2.gz BZSBUFNWSCWKHA-UKRRQHHQSA-N 0 0 469.924 1.532 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(CS(C)(=O)=O)CC2)CC(=O)N1C ZINC001494242765 1070516824 /nfs/dbraw/zinc/51/68/24/1070516824.db2.gz FAEYDQIAADZZAY-CYBMUJFWSA-N 0 0 452.968 1.485 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C[C@@H]1N1CCOCC1 ZINC001494242429 1070516925 /nfs/dbraw/zinc/51/69/25/1070516925.db2.gz BZSBUFNWSCWKHA-ZFWWWQNUSA-N 0 0 469.924 1.532 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)C2CC2)C1 ZINC001502468592 1070517288 /nfs/dbraw/zinc/51/72/88/1070517288.db2.gz BNBXJNQPTNUSNI-HTAPYJJXSA-N 0 0 479.603 1.641 20 0 JDADRN C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(Cl)nc3)n1CCCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001494249957 1070518420 /nfs/dbraw/zinc/51/84/20/1070518420.db2.gz PREHMWPXZAZZAT-SIFCLUCFSA-N 0 0 485.010 1.706 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001502468854 1070518569 /nfs/dbraw/zinc/51/85/69/1070518569.db2.gz GZLKVMUETDZLPP-RXVVDRJESA-N 0 0 490.630 1.730 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001502468855 1070518885 /nfs/dbraw/zinc/51/88/85/1070518885.db2.gz GZLKVMUETDZLPP-WIYYLYMNSA-N 0 0 490.630 1.730 20 0 JDADRN C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(Cl)nc3)n1CCCNS(C)(=O)=O)C[C@@H](C)O2 ZINC001494249960 1070518955 /nfs/dbraw/zinc/51/89/55/1070518955.db2.gz PREHMWPXZAZZAT-STXHMFSFSA-N 0 0 485.010 1.706 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccsc2)C1 ZINC001502469248 1070523142 /nfs/dbraw/zinc/52/31/42/1070523142.db2.gz MPUSBAJKIKXJOO-GOSISDBHSA-N 0 0 495.652 1.976 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CC2)C1 ZINC001502468821 1070519085 /nfs/dbraw/zinc/51/90/85/1070519085.db2.gz GFZDLJTYKGDSAJ-MRXNPFEDSA-N 0 0 465.576 1.395 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(C)(=O)=O)C[C@H](C)S1 ZINC001494252961 1070519529 /nfs/dbraw/zinc/51/95/29/1070519529.db2.gz MRXOXGNRPZUMBY-KBPBESRZSA-N 0 0 453.590 1.596 20 0 JDADRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(C)(=O)=O)C1 ZINC001502468873 1070519415 /nfs/dbraw/zinc/51/94/15/1070519415.db2.gz HHDUSSPTVZTNNM-ZDUSSCGKSA-N 0 0 479.987 1.300 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2S(C)(=O)=O)CCN1CC(F)(F)F ZINC001494283369 1070523096 /nfs/dbraw/zinc/52/30/96/1070523096.db2.gz JGJZKLJZDJJKCA-HZPDHXFCSA-N 0 0 489.568 1.780 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCNS(C)(=O)=O)CC2(CCOCC2)O1 ZINC001494261857 1070521178 /nfs/dbraw/zinc/52/11/78/1070521178.db2.gz BMDKVIUDYWLIFJ-HNNXBMFYSA-N 0 0 469.995 1.922 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)C[C@H](C(F)(F)F)O1 ZINC001494281230 1070523563 /nfs/dbraw/zinc/52/35/63/1070523563.db2.gz XSNGXLZDRSYSKJ-DZGCQCFKSA-N 0 0 460.482 1.532 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCC2)C1 ZINC001502469075 1070521954 /nfs/dbraw/zinc/52/19/54/1070521954.db2.gz LSQMAFCPDPSPOK-QGZVFWFLSA-N 0 0 479.603 1.785 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)CC(=O)N1C ZINC001494280514 1070523540 /nfs/dbraw/zinc/52/35/40/1070523540.db2.gz UOONSYQRXFLXBT-QGZVFWFLSA-N 0 0 454.556 1.622 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC2(C(N)=O)CCOCC2)CCN1CC(F)(F)F ZINC001494269946 1070522690 /nfs/dbraw/zinc/52/26/90/1070522690.db2.gz GFQHAXPWWFBILR-OAHLLOKOSA-N 0 0 467.496 1.695 20 0 JDADRN C[C@H]1CN(c2nnc(-c3cccn3C)n2CC2(O)CCS(=O)(=O)CC2)CCN1CC(F)(F)F ZINC001494274239 1070522723 /nfs/dbraw/zinc/52/27/23/1070522723.db2.gz AQCPSSLZWGTTQN-HNNXBMFYSA-N 0 0 490.552 1.296 20 0 JDADRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2COCCO2)C1 ZINC001502469550 1070523760 /nfs/dbraw/zinc/52/37/60/1070523760.db2.gz PILZCAPMELFAEB-ZWKOTPCHSA-N 0 0 495.602 1.286 20 0 JDADRN 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C[C@H]1N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCOC2)CCOC1(C)C ZINC001494629449 1070665401 /nfs/dbraw/zinc/66/54/01/1070665401.db2.gz BENVGKHAIWCPFT-ZHRRBRCNSA-N 0 0 479.603 1.351 20 0 JDADRN C[C@@H]1N(c2nnc(-c3cnn(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CCOC1(C)C ZINC001494632784 1070665416 /nfs/dbraw/zinc/66/54/16/1070665416.db2.gz IXXOXCMDNJBGGT-HNNXBMFYSA-N 0 0 461.567 1.976 20 0 JDADRN CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001502537411 1070665402 /nfs/dbraw/zinc/66/54/02/1070665402.db2.gz XKWZMRJTKMXSLM-ZBFHGGJFSA-N 0 0 497.618 1.774 20 0 JDADRN CCOC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001502540954 1070665831 /nfs/dbraw/zinc/66/58/31/1070665831.db2.gz NPPOSWWCHYYOIJ-QGZVFWFLSA-N 0 0 499.659 1.634 20 0 JDADRN CCOC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001502540224 1070665876 /nfs/dbraw/zinc/66/58/76/1070665876.db2.gz FBHPJEHTILTGBZ-QGZVFWFLSA-N 0 0 478.619 1.712 20 0 JDADRN C[C@@H]1N(c2nnc([C@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)CCOC1(C)C ZINC001494633133 1070666009 /nfs/dbraw/zinc/66/60/09/1070666009.db2.gz JZHBJHAHJVNVJV-LSDHHAIUSA-N 0 0 464.567 1.527 20 0 JDADRN C[C@@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCOC2)CCOC1(C)C ZINC001494640570 1070666244 /nfs/dbraw/zinc/66/62/44/1070666244.db2.gz AFKZSKQJCSNAAD-GVDBMIGSSA-N 0 0 457.597 1.041 20 0 JDADRN CCOC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001502542906 1070665997 /nfs/dbraw/zinc/66/59/97/1070665997.db2.gz STRIPVYUKADSNC-UHFFFAOYSA-N 0 0 491.959 1.888 20 0 JDADRN C[C@H]1N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)CCOC1(C)C ZINC001494645216 1070671488 /nfs/dbraw/zinc/67/14/88/1070671488.db2.gz YPJKYIYGUHUTFB-CRAIPNDOSA-N 0 0 467.567 1.802 20 0 JDADRN CCOC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001502556754 1070672085 /nfs/dbraw/zinc/67/20/85/1070672085.db2.gz LCBOLGNATLOKJI-SFHVURJKSA-N 0 0 457.641 1.923 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001494645973 1070672193 /nfs/dbraw/zinc/67/21/93/1070672193.db2.gz SJLGWXQKKKYRTK-YEWDVWPNSA-N 0 0 488.408 1.209 20 0 JDADRN CCOC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001502560270 1070672200 /nfs/dbraw/zinc/67/22/00/1070672200.db2.gz NJBLPEWJCQXWAT-UHFFFAOYSA-N 0 0 471.606 1.060 20 0 JDADRN CCOC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001502560056 1070672286 /nfs/dbraw/zinc/67/22/86/1070672286.db2.gz KKWJCQWVXZWJMS-UHFFFAOYSA-N 0 0 471.606 1.060 20 0 JDADRN CCO[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC001502596553 1070680877 /nfs/dbraw/zinc/68/08/77/1070680877.db2.gz GSMGKCNSQWXSSG-OKYOBFRVSA-N 0 0 473.640 1.676 20 0 JDADRN CCOC(C)(C)Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001502566475 1070672939 /nfs/dbraw/zinc/67/29/39/1070672939.db2.gz FEWSIVMTTAFZSL-AVRDEDQJSA-N 0 0 485.651 1.750 20 0 JDADRN CCOC(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502566309 1070672951 /nfs/dbraw/zinc/67/29/51/1070672951.db2.gz ABGQSIXDJHDQMH-JOCHJYFZSA-N 0 0 453.584 1.429 20 0 JDADRN CCOC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001502562759 1070672981 /nfs/dbraw/zinc/67/29/81/1070672981.db2.gz LRELZWCNNCJFMW-QHCPKHFHSA-N 0 0 472.594 1.769 20 0 JDADRN CCOC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001502563346 1070673140 /nfs/dbraw/zinc/67/31/40/1070673140.db2.gz UQRKFXZMXROFFN-QGZVFWFLSA-N 0 0 480.610 1.946 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001494653429 1070673175 /nfs/dbraw/zinc/67/31/75/1070673175.db2.gz BPYSPOSQJNLERQ-HOIFWPIMSA-N 0 0 451.568 1.769 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001494653431 1070673491 /nfs/dbraw/zinc/67/34/91/1070673491.db2.gz BPYSPOSQJNLERQ-PNLZDCPESA-N 0 0 451.568 1.769 20 0 JDADRN CCO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 ZINC001502572600 1070674132 /nfs/dbraw/zinc/67/41/32/1070674132.db2.gz YDQXIQYYICBFCY-HUUCEWRRSA-N 0 0 478.579 1.814 20 0 JDADRN CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001502569739 1070674150 /nfs/dbraw/zinc/67/41/50/1070674150.db2.gz VBHYSYGVGFKDFA-ULQDDVLXSA-N 0 0 464.567 1.290 20 0 JDADRN CCOC(C)(C)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 ZINC001502566869 1070674200 /nfs/dbraw/zinc/67/42/00/1070674200.db2.gz PQTHXVNPGKHCTJ-JTSKRJEESA-N 0 0 450.584 1.786 20 0 JDADRN CCO[C@@H](C)c1noc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001502569525 1070674306 /nfs/dbraw/zinc/67/43/06/1070674306.db2.gz PMTABFLCYXHYNK-HNNXBMFYSA-N 0 0 476.582 1.936 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001494653471 1070674176 /nfs/dbraw/zinc/67/41/76/1070674176.db2.gz CBHUHFFJKUEDGG-YNZWCRRESA-N 0 0 464.567 1.215 20 0 JDADRN C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001494654185 1070674452 /nfs/dbraw/zinc/67/44/52/1070674452.db2.gz DJMPZAVJMACEED-BFUOFWGJSA-N 0 0 456.469 1.708 20 0 JDADRN CCO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001502577812 1070675358 /nfs/dbraw/zinc/67/53/58/1070675358.db2.gz DDJORHYNJSVTSD-BRWVUGGUSA-N 0 0 456.613 1.151 20 0 JDADRN C[C@H]1OCC[C@@]1(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(F)(F)F ZINC001494655357 1070675528 /nfs/dbraw/zinc/67/55/28/1070675528.db2.gz HNEUYOUWRKKECY-AUUYWEPGSA-N 0 0 455.485 1.991 20 0 JDADRN CCO[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1)C(C)C ZINC001502584661 1070675935 /nfs/dbraw/zinc/67/59/35/1070675935.db2.gz HVZGKYXISRKXGN-HXUWFJFHSA-N 0 0 482.593 1.833 20 0 JDADRN C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001494655865 1070676343 /nfs/dbraw/zinc/67/63/43/1070676343.db2.gz KYLKDSZEYORGRR-HKARXFIJSA-N 0 0 493.630 1.739 20 0 JDADRN C[C@H]1OCC[C@]1(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCNS(C)(=O)=O ZINC001494656124 1070676390 /nfs/dbraw/zinc/67/63/90/1070676390.db2.gz LVHMAXSSCMQTED-VFNWGFHPSA-N 0 0 483.660 1.801 20 0 JDADRN CCO[C@H](CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C ZINC001502579369 1070676635 /nfs/dbraw/zinc/67/66/35/1070676635.db2.gz TWVGODQZOXWRPN-WOJBJXKFSA-N 0 0 478.638 1.750 20 0 JDADRN CCO[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C ZINC001502591147 1070677618 /nfs/dbraw/zinc/67/76/18/1070677618.db2.gz ROTRPRIOQKETMM-HOTGVXAUSA-N 0 0 461.567 1.201 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001494656488 1070677575 /nfs/dbraw/zinc/67/75/75/1070677575.db2.gz NGCINNWQYQWHOW-MRUHUIDDSA-N 0 0 484.022 1.904 20 0 JDADRN CCO[C@@H](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1)C(C)C ZINC001502591022 1070678026 /nfs/dbraw/zinc/67/80/26/1070678026.db2.gz PDGNZEVBYMZSSA-KRWDZBQOSA-N 0 0 463.608 1.626 20 0 JDADRN CCO[C@@H](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(C)C ZINC001502596580 1070680561 /nfs/dbraw/zinc/68/05/61/1070680561.db2.gz GYHGOJDMRUAIAH-UXHICEINSA-N 0 0 476.622 1.504 20 0 JDADRN C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 ZINC001494656957 1070678903 /nfs/dbraw/zinc/67/89/03/1070678903.db2.gz QYQLZLIDXPMXEA-BZNIZROVSA-N 0 0 477.406 1.544 20 0 JDADRN CCO[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001502610050 1070685689 /nfs/dbraw/zinc/68/56/89/1070685689.db2.gz ROBIWYSWRIDQKU-SFTDATJTSA-N 0 0 453.547 1.798 20 0 JDADRN CCO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC001502608842 1070685831 /nfs/dbraw/zinc/68/58/31/1070685831.db2.gz HDTAXUKDWNJHPN-WOJBJXKFSA-N 0 0 490.630 1.773 20 0 JDADRN CCO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 ZINC001502610420 1070686532 /nfs/dbraw/zinc/68/65/32/1070686532.db2.gz WWELTNVUAPGKGZ-LZLYRXPVSA-N 0 0 464.592 1.333 20 0 JDADRN CCO[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 ZINC001502611544 1070686624 /nfs/dbraw/zinc/68/66/24/1070686624.db2.gz LSJBQAZYEKBSRN-NHCUHLMSSA-N 0 0 484.601 1.733 20 0 JDADRN CCO[C@]1(c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 ZINC001502615161 1070690138 /nfs/dbraw/zinc/69/01/38/1070690138.db2.gz OEVKNJXJGUVBDY-NHAYFPRASA-N 0 0 492.664 1.155 20 0 JDADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001494661144 1070687316 /nfs/dbraw/zinc/68/73/16/1070687316.db2.gz OARHWTCCVHOYLF-FVMGUFKOSA-N 0 0 499.634 1.212 20 0 JDADRN CCO[C@]1(c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CCOC1 ZINC001502613998 1070687644 /nfs/dbraw/zinc/68/76/44/1070687644.db2.gz ASMZOMXWESXKIF-JBYIUTFZSA-N 0 0 487.667 1.299 20 0 JDADRN C[C@H]1OCC[C@]12CN(c1nnc(Cc3c(F)cccc3F)n1CCCNS(C)(=O)=O)CCO2 ZINC001494665738 1070690355 /nfs/dbraw/zinc/69/03/55/1070690355.db2.gz GBCBZJGRCFBMBI-VFNWGFHPSA-N 0 0 485.557 1.471 20 0 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CCO[C@]1(c2nnc(N3CCN(c4cc(F)cc(F)c4)CC3)n2CCS(C)(=O)=O)CCOC1 ZINC001502717118 1070824594 /nfs/dbraw/zinc/82/45/94/1070824594.db2.gz BOVUGLYYGSLYGO-OAQYLSRUSA-N 0 0 485.557 1.580 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ccccc4F)CC3)n2CCS(=O)(=O)CC)CCOC1 ZINC001502717079 1070824748 /nfs/dbraw/zinc/82/47/48/1070824748.db2.gz AYEITUAGZUIZTM-JOCHJYFZSA-N 0 0 481.594 1.831 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[C@@H]1COCCO1 ZINC001495849898 1070824784 /nfs/dbraw/zinc/82/47/84/1070824784.db2.gz KTAHBBPHCSRTME-NVXWUHKLSA-N 0 0 484.648 1.873 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC1([S@](C)=O)CC1 ZINC001495849982 1070824818 /nfs/dbraw/zinc/82/48/18/1070824818.db2.gz LQXIBPXUPZTUKT-IWAYBZMOSA-N 0 0 483.664 1.256 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1C ZINC001504082768 1070824815 /nfs/dbraw/zinc/82/48/15/1070824815.db2.gz XDNNGEXVKUTQQQ-QXAKKESOSA-N 0 0 490.630 1.695 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@]2(O)CCOC2)ccc1OC(C)C ZINC001504082608 1070824899 /nfs/dbraw/zinc/82/48/99/1070824899.db2.gz UAQCQSKFNISXCA-DVECYGJZSA-N 0 0 489.573 1.234 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ncccc4C(N)=O)CC3)n2C[C@@H](C)SC)CCOC1 ZINC001502717431 1070825020 /nfs/dbraw/zinc/82/50/20/1070825020.db2.gz FGNRSSMROAZLDJ-OPAMFIHVSA-N 0 0 475.619 1.502 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](n3cncn3)C2)ccc1C ZINC001504083000 1070825069 /nfs/dbraw/zinc/82/50/69/1070825069.db2.gz ZDEZMVFIMFXVRD-PKOBYXMFSA-N 0 0 488.618 1.881 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2c(F)cccc2Cl)CCOC1 ZINC001502720746 1070828202 /nfs/dbraw/zinc/82/82/02/1070828202.db2.gz AJZLOJKISHZXSY-HSZRJFAPSA-N 0 0 494.999 1.981 20 0 JDADRN COc1cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC001504084118 1070825203 /nfs/dbraw/zinc/82/52/03/1070825203.db2.gz LIRGLKMXWVHRDZ-LVCYWYKZSA-N 0 0 493.630 1.784 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 ZINC001502717488 1070825262 /nfs/dbraw/zinc/82/52/62/1070825262.db2.gz GFRUBULIHDNGGT-MZNJEOGPSA-N 0 0 485.589 1.739 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1COCCO1 ZINC001495851397 1070825295 /nfs/dbraw/zinc/82/52/95/1070825295.db2.gz RMSPNFIIBFMLQP-QUCCMNQESA-N 0 0 463.604 1.859 20 0 JDADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)cc2)CC1 ZINC001546249775 1070828274 /nfs/dbraw/zinc/82/82/74/1070828274.db2.gz NVTLZWLRMKDBHO-PMACEKPBSA-N 0 0 451.589 1.409 20 0 JDADRN CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001495954331 1070828292 /nfs/dbraw/zinc/82/82/92/1070828292.db2.gz FHRDPBSTAWRVGU-VDZJLULYSA-N 0 0 460.604 1.805 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C(N)=O)CC3)n2C[C@@H](C)SC)CCOC1 ZINC001502717432 1070825288 /nfs/dbraw/zinc/82/52/88/1070825288.db2.gz FGNRSSMROAZLDJ-ZHRRBRCNSA-N 0 0 475.619 1.502 20 0 JDADRN COc1cc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCOC2)cc(OC)c1 ZINC001504085359 1070825304 /nfs/dbraw/zinc/82/53/04/1070825304.db2.gz MXHKLVKUPYHDLQ-HSZRJFAPSA-N 0 0 456.547 1.945 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1Cc1csc(C)c1 ZINC001495851045 1070825344 /nfs/dbraw/zinc/82/53/44/1070825344.db2.gz PSBIAXDIACAXGY-CQSZACIVSA-N 0 0 458.592 1.676 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001495851149 1070825413 /nfs/dbraw/zinc/82/54/13/1070825413.db2.gz QRXNMDCHXJKVEM-DOTOQJQBSA-N 0 0 479.607 1.346 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1COCCO1 ZINC001495851396 1070825431 /nfs/dbraw/zinc/82/54/31/1070825431.db2.gz RMSPNFIIBFMLQP-ICSRJNTNSA-N 0 0 463.604 1.859 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1Cc1csc(C)c1 ZINC001495851043 1070825445 /nfs/dbraw/zinc/82/54/45/1070825445.db2.gz PSBIAXDIACAXGY-AWEZNQCLSA-N 0 0 458.592 1.676 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ccc(C(N)=O)cc4)CC3)n2CCC(=O)NC(C)C)CCOC1 ZINC001502717739 1070825567 /nfs/dbraw/zinc/82/55/67/1070825567.db2.gz KPVWIVARQIZNCD-RUZDIDTESA-N 0 0 499.616 1.270 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ccccc4OC)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001502717689 1070825600 /nfs/dbraw/zinc/82/56/00/1070825600.db2.gz JQTRKVQNRVOLCN-HSZRJFAPSA-N 0 0 494.543 1.647 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C4=NCC(C)(C)S4)CC3)n2CC(C)(C)O)CCOC1 ZINC001502717673 1070825655 /nfs/dbraw/zinc/82/56/55/1070825655.db2.gz JMIWSIHYNPAMAU-NRFANRHFSA-N 0 0 452.625 1.705 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001495851408 1070825556 /nfs/dbraw/zinc/82/55/56/1070825556.db2.gz ROHMLTPXNOWSRE-XJKSGUPXSA-N 0 0 465.480 1.595 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC1=CCCOC1 ZINC001495851424 1070825602 /nfs/dbraw/zinc/82/56/02/1070825602.db2.gz RSRXNEDHCLQZMX-MRXNPFEDSA-N 0 0 463.608 1.691 20 0 JDADRN COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)cc(OC)c1 ZINC001504086032 1070825601 /nfs/dbraw/zinc/82/56/01/1070825601.db2.gz JYVHRMDYBCLWMG-QGZVFWFLSA-N 0 0 491.614 1.993 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC2)cc(OC)c1 ZINC001504085958 1070825631 /nfs/dbraw/zinc/82/56/31/1070825631.db2.gz HAMLFHHLDZPDHU-GJZGRUSLSA-N 0 0 453.565 1.578 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCc1ccc(OC)c(OC)c1 ZINC001495851648 1070825703 /nfs/dbraw/zinc/82/57/03/1070825703.db2.gz SVWZVWFPAVFHDD-SJLPKXTDSA-N 0 0 470.574 1.589 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCS(C)(=O)=O ZINC001495851788 1070825924 /nfs/dbraw/zinc/82/59/24/1070825924.db2.gz WCMJLHDVVDFJHX-HNNXBMFYSA-N 0 0 473.596 1.486 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001495851814 1070825933 /nfs/dbraw/zinc/82/59/33/1070825933.db2.gz WKCDAFUKGMDIAH-DLBZAZTESA-N 0 0 450.613 1.276 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)NC(C)C)c2ccccc2n1 ZINC001504086423 1070825932 /nfs/dbraw/zinc/82/59/32/1070825932.db2.gz JWOZRSXRKKJXFX-UHFFFAOYSA-N 0 0 453.547 1.982 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCS(C)(=O)=O ZINC001495851789 1070826021 /nfs/dbraw/zinc/82/60/21/1070826021.db2.gz WCMJLHDVVDFJHX-OAHLLOKOSA-N 0 0 473.596 1.486 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)cc(Cl)c1OC ZINC001504086556 1070826107 /nfs/dbraw/zinc/82/61/07/1070826107.db2.gz LMYUVBRTVHNBFY-GOEBONIOSA-N 0 0 476.965 1.850 20 0 JDADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC001546250134 1070828370 /nfs/dbraw/zinc/82/83/70/1070828370.db2.gz WNPWNUHBOWWPIL-OALUTQOASA-N 0 0 453.605 1.702 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4ccc(O)cc4)CC3)n2CC(=O)NC(C)C)CCOC1 ZINC001502718084 1070826204 /nfs/dbraw/zinc/82/62/04/1070826204.db2.gz NAAAWKQJLNMIMG-QHCPKHFHSA-N 0 0 458.563 1.487 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(OC)C2)ccc1OCCO ZINC001504087291 1070826240 /nfs/dbraw/zinc/82/62/40/1070826240.db2.gz TVJYQWYSCIQXBR-QHCPKHFHSA-N 0 0 461.563 1.850 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2CCCOc2ccc(OC)cc2)CCOC1 ZINC001502718096 1070826322 /nfs/dbraw/zinc/82/63/22/1070826322.db2.gz NHLDWSGINHOIKN-QHCPKHFHSA-N 0 0 459.547 1.686 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCOC1 ZINC001502718129 1070826347 /nfs/dbraw/zinc/82/63/47/1070826347.db2.gz ODRPCFZUDMNLFV-MZNJEOGPSA-N 0 0 492.621 1.997 20 0 JDADRN COc1cc(CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)cc(OC)c1 ZINC001504086844 1070826300 /nfs/dbraw/zinc/82/63/00/1070826300.db2.gz UVXJEPRYPOLGBM-UHFFFAOYSA-N 0 0 487.605 1.234 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(N)=O)CC2)cc(Cl)c1OC ZINC001504086706 1070826360 /nfs/dbraw/zinc/82/63/60/1070826360.db2.gz OUIAWDYZMTXVFL-UHFFFAOYSA-N 0 0 464.954 1.837 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)F)CC2)cc(OC)c1OC ZINC001504086922 1070826369 /nfs/dbraw/zinc/82/63/69/1070826369.db2.gz RJGFTNAKEVKOKN-UHFFFAOYSA-N 0 0 482.532 1.878 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001495935862 1070828403 /nfs/dbraw/zinc/82/84/03/1070828403.db2.gz XYELRKYESRDTPW-QGZVFWFLSA-N 0 0 470.574 1.441 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001495932794 1070828418 /nfs/dbraw/zinc/82/84/18/1070828418.db2.gz KOGZCXBLZZRKED-LJQANCHMSA-N 0 0 480.679 1.893 20 0 JDADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)cc2)CC1 ZINC001546249777 1070828440 /nfs/dbraw/zinc/82/84/40/1070828440.db2.gz NVTLZWLRMKDBHO-VQTJNVASSA-N 0 0 451.589 1.409 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)CCOC1 ZINC001502718585 1070826534 /nfs/dbraw/zinc/82/65/34/1070826534.db2.gz QQFHHETUQXFXAS-FQEVSTJZSA-N 0 0 474.528 1.483 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCNC(=O)c1cccs1 ZINC001495858261 1070826529 /nfs/dbraw/zinc/82/65/29/1070826529.db2.gz AXRQWYVEGLWPPE-CABCVRRESA-N 0 0 459.576 1.756 20 0 JDADRN COc1cc(CN(C)c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)cc(OC)c1 ZINC001504088125 1070826683 /nfs/dbraw/zinc/82/66/83/1070826683.db2.gz GFIUVZUHIIEHBY-UHFFFAOYSA-N 0 0 462.576 1.829 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2NC(=O)CC2(C)C)cc(OC)c1 ZINC001504088269 1070826701 /nfs/dbraw/zinc/82/67/01/1070826701.db2.gz ALUAGNBKJNKKRC-QZTJIDSGSA-N 0 0 456.547 1.798 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001495862343 1070826629 /nfs/dbraw/zinc/82/66/29/1070826629.db2.gz NGWRRKUQKQMMDP-IRXDYDNUSA-N 0 0 476.603 1.830 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001495862341 1070826653 /nfs/dbraw/zinc/82/66/53/1070826653.db2.gz NGWRRKUQKQMMDP-DLBZAZTESA-N 0 0 476.603 1.830 20 0 JDADRN COc1cc(CN(C)c2nnc(-c3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)cc(OC)c1 ZINC001504087597 1070826741 /nfs/dbraw/zinc/82/67/41/1070826741.db2.gz ADYHQOGTZKBUAM-JOCHJYFZSA-N 0 0 473.555 1.543 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ccc(C(N)=O)cc4)CC3)n2C[C@@](C)(O)CC)CCOC1 ZINC001502718783 1070826842 /nfs/dbraw/zinc/82/68/42/1070826842.db2.gz SXOQFPRWWDAKSV-BJKOFHAPSA-N 0 0 472.590 1.517 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2cccc(NC(=O)OC)c2)CCOC1 ZINC001502718634 1070826877 /nfs/dbraw/zinc/82/68/77/1070826877.db2.gz RNGAZSOXQUGTBH-MWTRTKDXSA-N 0 0 472.546 1.824 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001495862688 1070826952 /nfs/dbraw/zinc/82/69/52/1070826952.db2.gz NXVRBIOGWDFWDM-ZACQAIPSSA-N 0 0 477.610 1.584 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](NC(=O)NC3CC3)C2)ccc1C ZINC001504088427 1070827078 /nfs/dbraw/zinc/82/70/78/1070827078.db2.gz BUUHIQXSJBLSSE-MAUKXSAKSA-N 0 0 491.618 1.294 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001495877075 1070827061 /nfs/dbraw/zinc/82/70/61/1070827061.db2.gz DWVBFBNUQLEFAQ-NQIIRXRSSA-N 0 0 456.591 1.936 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001495863797 1070827079 /nfs/dbraw/zinc/82/70/79/1070827079.db2.gz XRVJIBVAOZIUKJ-LPHOPBHVSA-N 0 0 457.554 1.846 20 0 JDADRN CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001495885290 1070827224 /nfs/dbraw/zinc/82/72/24/1070827224.db2.gz ZTQAJALCGQANDK-PKOBYXMFSA-N 0 0 463.604 1.748 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2([S@@](C)=O)CCC2)CCOC1 ZINC001502720762 1070828506 /nfs/dbraw/zinc/82/85/06/1070828506.db2.gz APKPEIWQJVSZEV-AYLZSAKASA-N 0 0 479.569 1.916 20 0 JDADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)C2)ccc1OCCO ZINC001504088790 1070827371 /nfs/dbraw/zinc/82/73/71/1070827371.db2.gz FVBMUBPHBVNITH-LSDHHAIUSA-N 0 0 485.632 1.258 20 0 JDADRN 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CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001496223548 1070837569 /nfs/dbraw/zinc/83/75/69/1070837569.db2.gz OOJDOEBFLHMNAR-LUKYLMHMSA-N 0 0 456.613 1.198 20 0 JDADRN COc1cc(Cl)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001504111468 1070837739 /nfs/dbraw/zinc/83/77/39/1070837739.db2.gz RTBGVEFFGURGAH-ZFWWWQNUSA-N 0 0 467.979 1.557 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(S(=O)(=O)Cc4ccon4)CC3)n2CC(C)C)CCOC1 ZINC001502726546 1070837742 /nfs/dbraw/zinc/83/77/42/1070837742.db2.gz XLQXVPRAFKFQCP-HXUWFJFHSA-N 0 0 468.580 1.226 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001496224469 1070837856 /nfs/dbraw/zinc/83/78/56/1070837856.db2.gz VEGXFZGTJBDBFU-LJQANCHMSA-N 0 0 485.637 1.660 20 0 JDADRN COc1cc(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)cc(OC)c1OC ZINC001504111639 1070837815 /nfs/dbraw/zinc/83/78/15/1070837815.db2.gz KHPHNQZSPJCEJP-LRTDBIEQSA-N 0 0 496.590 1.160 20 0 JDADRN 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COc1cc(OC)cc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)c1 ZINC001504115437 1070839629 /nfs/dbraw/zinc/83/96/29/1070839629.db2.gz GCJRSFQBEDBLPE-SFHVURJKSA-N 0 0 493.630 1.696 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001502729318 1070839609 /nfs/dbraw/zinc/83/96/09/1070839609.db2.gz NQHNJTHTLFCUQH-DYESRHJHSA-N 0 0 483.491 1.949 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001502729320 1070839622 /nfs/dbraw/zinc/83/96/22/1070839622.db2.gz NQHNJTHTLFCUQH-UTKZUKDTSA-N 0 0 483.491 1.949 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@H](C)Cc2ccc(OC)cc2)CCOC1 ZINC001502729339 1070839640 /nfs/dbraw/zinc/83/96/40/1070839640.db2.gz NYIGWOSVSVNAQC-NXQMDHLFSA-N 0 0 487.601 1.769 20 0 JDADRN COc1cc(OC)c(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(NC(C)=O)CC2)c(OC)c1 ZINC001504115583 1070839702 /nfs/dbraw/zinc/83/97/02/1070839702.db2.gz IDFCMLSJRNFBNL-LJQANCHMSA-N 0 0 486.573 1.603 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2cnn(C)c2C)c1 ZINC001504115366 1070839714 /nfs/dbraw/zinc/83/97/14/1070839714.db2.gz FDITUZIMDUJAFG-CQSZACIVSA-N 0 0 462.576 1.922 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001496244116 1070839751 /nfs/dbraw/zinc/83/97/51/1070839751.db2.gz UBKDHSRODICOSW-INIZCTEOSA-N 0 0 463.608 1.505 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC2(CCOC)CCC2)CCOC1 ZINC001502729374 1070839993 /nfs/dbraw/zinc/83/99/93/1070839993.db2.gz OHQFWYAYRUWYKK-HTAPYJJXSA-N 0 0 451.568 1.088 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001496247857 1070840003 /nfs/dbraw/zinc/84/00/03/1070840003.db2.gz FMSVNCLPFXLZKC-XLIONFOSSA-N 0 0 469.590 1.781 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001496247107 1070840053 /nfs/dbraw/zinc/84/00/53/1070840053.db2.gz ALRGIXXGUKJANX-MRXNPFEDSA-N 0 0 454.579 1.947 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCN(CC)C(=O)C1 ZINC001496248096 1070840061 /nfs/dbraw/zinc/84/00/61/1070840061.db2.gz GOOSVBPAQJJYJK-QGZVFWFLSA-N 0 0 494.600 1.555 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001496247544 1070840066 /nfs/dbraw/zinc/84/00/66/1070840066.db2.gz DCSGCPFCSPZLLR-QGZVFWFLSA-N 0 0 458.567 1.955 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2Cc2ccc(OC)cc2F)CCOC1 ZINC001502729386 1070840040 /nfs/dbraw/zinc/84/00/40/1070840040.db2.gz OLUNZHIQPRMHLN-AVRDEDQJSA-N 0 0 463.510 1.077 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 ZINC001502739968 1070847366 /nfs/dbraw/zinc/84/73/66/1070847366.db2.gz KDGXDXDUVGIABJ-JTSKRJEESA-N 0 0 467.636 1.790 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](COC)C1 ZINC001496248781 1070840279 /nfs/dbraw/zinc/84/02/79/1070840279.db2.gz JIYZAMNFTGKMKN-DLBZAZTESA-N 0 0 467.574 1.970 20 0 JDADRN CCO[C@]1(c2nnc(N3CCNC(=O)[C@H]3CC)n2C[C@@](C)(O)c2ccc(F)cc2)CCOC1 ZINC001502729442 1070840381 /nfs/dbraw/zinc/84/03/81/1070840381.db2.gz POKOQULZIQKKQY-SXSPYAJSSA-N 0 0 461.538 1.692 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CCc2ccc(NC(C)=O)cc2)CCOC1 ZINC001502729477 1070840398 /nfs/dbraw/zinc/84/03/98/1070840398.db2.gz QKBZBWJPAOJNFK-HYBUGGRVSA-N 0 0 486.573 1.083 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 ZINC001496248160 1070840351 /nfs/dbraw/zinc/84/03/51/1070840351.db2.gz GOVUJSGURLENLD-INIZCTEOSA-N 0 0 477.635 1.752 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](COC)C1 ZINC001496248783 1070840431 /nfs/dbraw/zinc/84/04/31/1070840431.db2.gz JIYZAMNFTGKMKN-IRXDYDNUSA-N 0 0 467.574 1.970 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001496248376 1070840457 /nfs/dbraw/zinc/84/04/57/1070840457.db2.gz HXZKNRDQADHRLN-KKUMJFAQSA-N 0 0 482.607 1.568 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CC(=O)N(CCOC)C2)CCOC1 ZINC001502729497 1070840429 /nfs/dbraw/zinc/84/04/29/1070840429.db2.gz QMJTUPHODPWGKK-TWOQFEAHSA-N 0 0 491.511 1.193 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001502729918 1070840562 /nfs/dbraw/zinc/84/05/62/1070840562.db2.gz TXDUYZYSTKKDGH-YWZLYKJASA-N 0 0 484.479 1.344 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001504117405 1070840605 /nfs/dbraw/zinc/84/06/05/1070840605.db2.gz HZEAMPCNTUMAPT-QGZVFWFLSA-N 0 0 489.602 1.577 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@H](C)C1 ZINC001496249338 1070840640 /nfs/dbraw/zinc/84/06/40/1070840640.db2.gz LAKCNRFIJDXFAP-HZPDHXFCSA-N 0 0 453.547 1.722 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001504117404 1070840696 /nfs/dbraw/zinc/84/06/96/1070840696.db2.gz HZEAMPCNTUMAPT-KRWDZBQOSA-N 0 0 489.602 1.577 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001496250173 1070840708 /nfs/dbraw/zinc/84/07/08/1070840708.db2.gz NXLVLHWRAOIAAE-CABCVRRESA-N 0 0 480.591 1.324 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCS(C)(=O)=O)c1 ZINC001504117916 1070840844 /nfs/dbraw/zinc/84/08/44/1070840844.db2.gz YGQOVSRRHSCCNW-UHFFFAOYSA-N 0 0 453.565 1.358 20 0 JDADRN COc1cc(OC)c(CCn2c(-c3ccc[nH]3)nnc2N2CCS(=O)(=O)CC2)c(OC)c1 ZINC001504117735 1070840858 /nfs/dbraw/zinc/84/08/58/1070840858.db2.gz ZJFMYBAGPKAFGP-UHFFFAOYSA-N 0 0 461.544 1.777 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001496250825 1070840889 /nfs/dbraw/zinc/84/08/89/1070840889.db2.gz PNUHKQJWNSXRJJ-LSDHHAIUSA-N 0 0 466.546 1.566 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](C)N2CCOCC2)CCOC1 ZINC001502729980 1070840920 /nfs/dbraw/zinc/84/09/20/1070840920.db2.gz UWARRHNUECCZBC-TXPKVOOTSA-N 0 0 463.501 1.418 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCNC(=O)c2ccn[nH]2)c1 ZINC001504117921 1070841008 /nfs/dbraw/zinc/84/10/08/1070841008.db2.gz YIQBXBMANLDELA-UHFFFAOYSA-N 0 0 484.561 1.466 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC(=O)NCC2CC2)c1 ZINC001504117999 1070841022 /nfs/dbraw/zinc/84/10/22/1070841022.db2.gz ZSPCBODBTTULRD-UHFFFAOYSA-N 0 0 458.563 1.839 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001496251492 1070841001 /nfs/dbraw/zinc/84/10/01/1070841001.db2.gz RUQWZHVOYADECC-SJORKVTESA-N 0 0 495.584 1.979 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001496251490 1070841033 /nfs/dbraw/zinc/84/10/33/1070841033.db2.gz RUQWZHVOYADECC-IAGOWNOFSA-N 0 0 495.584 1.979 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCNC(=O)[C@H]3CC)n2Cc2ccc(OC)c(OC)c2OC)CCOC1 ZINC001502729961 1070841081 /nfs/dbraw/zinc/84/10/81/1070841081.db2.gz URLIAKIPNXFXNF-OSPHWJPCSA-N 0 0 489.573 1.719 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCCCO2)c1 ZINC001504118239 1070841176 /nfs/dbraw/zinc/84/11/76/1070841176.db2.gz SDTKKWGJINAAQL-MRXNPFEDSA-N 0 0 453.565 1.517 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)c1 ZINC001504118216 1070841199 /nfs/dbraw/zinc/84/11/99/1070841199.db2.gz ROESXISEZTZPCL-MRXNPFEDSA-N 0 0 480.587 1.986 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001496252679 1070841240 /nfs/dbraw/zinc/84/12/40/1070841240.db2.gz WHHVTJXYGGTSTM-MRXNPFEDSA-N 0 0 453.547 1.816 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001496252966 1070841300 /nfs/dbraw/zinc/84/13/00/1070841300.db2.gz YHFAFZOUTGASLK-ROUUACIJSA-N 0 0 493.634 1.209 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001496252248 1070841318 /nfs/dbraw/zinc/84/13/18/1070841318.db2.gz UHLIARWFZFJSSM-KRWDZBQOSA-N 0 0 480.573 1.651 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CCCOC2CCCC2)CCOC1 ZINC001502730145 1070841408 /nfs/dbraw/zinc/84/14/08/1070841408.db2.gz XHNLKVLGMAXMSE-PGRDOPGGSA-N 0 0 451.568 1.231 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001496251502 1070841410 /nfs/dbraw/zinc/84/14/10/1070841410.db2.gz RWLONAMQMBBTHZ-QGZVFWFLSA-N 0 0 468.606 1.354 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H]2CCOC[C@@H]2OC)c1 ZINC001504119641 1070841490 /nfs/dbraw/zinc/84/14/90/1070841490.db2.gz IYYJOWHRAVZZFJ-QINHECLXSA-N 0 0 459.547 1.681 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001504119105 1070841497 /nfs/dbraw/zinc/84/14/97/1070841497.db2.gz BPLTVCOFJPLAOH-OAHLLOKOSA-N 0 0 477.587 1.597 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CCNC(=O)c2ccn[nH]2)c1 ZINC001504119304 1070841550 /nfs/dbraw/zinc/84/15/50/1070841550.db2.gz RHCHBVWICFPXID-UHFFFAOYSA-N 0 0 479.545 1.794 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001496254751 1070841615 /nfs/dbraw/zinc/84/16/15/1070841615.db2.gz BIYNXYBNOFHKHF-SJORKVTESA-N 0 0 462.599 1.118 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001496255539 1070841636 /nfs/dbraw/zinc/84/16/36/1070841636.db2.gz FCERDBHTXYCJJI-DOTOQJQBSA-N 0 0 473.603 1.558 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(=O)NCC(F)(F)F)c1 ZINC001504119624 1070841627 /nfs/dbraw/zinc/84/16/27/1070841627.db2.gz IQPHGXFKBDXNPA-GFCCVEGCSA-N 0 0 470.452 1.308 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001496254835 1070841709 /nfs/dbraw/zinc/84/17/09/1070841709.db2.gz BNQKCLYNFBWIPV-PMACEKPBSA-N 0 0 475.638 1.569 20 0 JDADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccsc2)CC1 ZINC001496304099 1070847387 /nfs/dbraw/zinc/84/73/87/1070847387.db2.gz ZZJMILZHLSAPSF-SFHVURJKSA-N 0 0 473.647 1.855 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2Cc2cccc(C(C)(C)O)c2)CCOC1 ZINC001502730312 1070841667 /nfs/dbraw/zinc/84/16/67/1070841667.db2.gz ZHHPKKJPHOVPCR-DVECYGJZSA-N 0 0 473.574 1.157 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2Cc2cccc(C(C)(C)O)c2)CCOC1 ZINC001502730314 1070841781 /nfs/dbraw/zinc/84/17/81/1070841781.db2.gz ZHHPKKJPHOVPCR-YADARESESA-N 0 0 473.574 1.157 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001496303840 1070846736 /nfs/dbraw/zinc/84/67/36/1070846736.db2.gz VRBQATIDBNPDAE-UWVAXJGDSA-N 0 0 477.610 1.301 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H](N4CCOCC4)C3)n2CCS(C)(=O)=O)c1 ZINC001504120148 1070841919 /nfs/dbraw/zinc/84/19/19/1070841919.db2.gz OQTCIZLPIGWHNM-OXJNMPFZSA-N 0 0 479.603 1.164 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001496259328 1070841960 /nfs/dbraw/zinc/84/19/60/1070841960.db2.gz UBFSAANARRKAAQ-KGLIPLIRSA-N 0 0 477.507 1.556 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001496259016 1070842019 /nfs/dbraw/zinc/84/20/19/1070842019.db2.gz RCBAAVCIHUNFEU-WMZOPIPTSA-N 0 0 487.630 1.948 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001496259112 1070842065 /nfs/dbraw/zinc/84/20/65/1070842065.db2.gz SFKARAQIMIGLTG-HBMCJLEFSA-N 0 0 489.665 1.610 20 0 JDADRN CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2Cc2cccc(C(F)(F)F)n2)CCOC1 ZINC001502740225 1070847396 /nfs/dbraw/zinc/84/73/96/1070847396.db2.gz OHCBJWQLALEVPI-GOSISDBHSA-N 0 0 475.493 1.627 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2CCNC(=O)C(C)C)c1 ZINC001504120816 1070842133 /nfs/dbraw/zinc/84/21/33/1070842133.db2.gz FCPFHAFZDPIFCY-DNVCBOLYSA-N 0 0 456.547 1.449 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 ZINC001502731679 1070842141 /nfs/dbraw/zinc/84/21/41/1070842141.db2.gz ALYWGNXSCCYMPY-CVDCTZTESA-N 0 0 451.612 1.902 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCNC(=O)C(C)C)c1 ZINC001504120815 1070842194 /nfs/dbraw/zinc/84/21/94/1070842194.db2.gz FCPFHAFZDPIFCY-BEFAXECRSA-N 0 0 456.547 1.449 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001496267299 1070842167 /nfs/dbraw/zinc/84/21/67/1070842167.db2.gz AFFPPMWTURNIGY-MUGJNUQGSA-N 0 0 496.678 1.932 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001496260019 1070842206 /nfs/dbraw/zinc/84/22/06/1070842206.db2.gz YABXOUCMAZPXHR-KXBFYZLASA-N 0 0 485.589 1.834 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCC(=O)NC(C)C)CCOC1 ZINC001502732220 1070842238 /nfs/dbraw/zinc/84/22/38/1070842238.db2.gz FRBPKWBICQJMMC-NJNPRVFISA-N 0 0 451.568 1.229 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001496267301 1070842291 /nfs/dbraw/zinc/84/22/91/1070842291.db2.gz AFFPPMWTURNIGY-YRPNKDGESA-N 0 0 496.678 1.932 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001496260254 1070842331 /nfs/dbraw/zinc/84/23/31/1070842331.db2.gz ZGOGLMPPEGPXQX-IHPCNDPISA-N 0 0 470.574 1.818 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)O[C@]4(CCOC4)C3)n2CCOCCCO)c1 ZINC001504120702 1070842308 /nfs/dbraw/zinc/84/23/08/1070842308.db2.gz CVSOIHHJMDSPOS-UZUQRXQVSA-N 0 0 462.547 1.746 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCN2CCN(C(C)=O)CC2)c1 ZINC001504120724 1070842316 /nfs/dbraw/zinc/84/23/16/1070842316.db2.gz BAGJWHYHOGNNAK-FDDCHVKYSA-N 0 0 486.617 1.988 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2cc(C)cc(OC)c2)CCOC1 ZINC001502737512 1070846812 /nfs/dbraw/zinc/84/68/12/1070846812.db2.gz YJGBDTNBOXWODK-URXFXBBRSA-N 0 0 473.574 1.637 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@H](c4ccccc4)C3)n2CC(=O)NCC(F)F)CCOC1 ZINC001502731972 1070842325 /nfs/dbraw/zinc/84/23/25/1070842325.db2.gz CLRBTFUBCLKSJG-VGOFRKELSA-N 0 0 465.501 1.889 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001496259833 1070842368 /nfs/dbraw/zinc/84/23/68/1070842368.db2.gz XCUYGWMZXXMYSI-WNRNVDISSA-N 0 0 489.621 1.837 20 0 JDADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001496260257 1070842379 /nfs/dbraw/zinc/84/23/79/1070842379.db2.gz ZGOGLMPPEGPXQX-SXLOBPIMSA-N 0 0 470.574 1.818 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CCC(=O)N[C@@H](C)CC)CCOC1 ZINC001502732177 1070842407 /nfs/dbraw/zinc/84/24/07/1070842407.db2.gz FGAKWFKAXUHDPZ-NTUVXCKYSA-N 0 0 489.621 1.721 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCCC(=O)NC2CC2)c1 ZINC001504122006 1070842476 /nfs/dbraw/zinc/84/24/76/1070842476.db2.gz JAFUZVLBCZGRAY-HSZRJFAPSA-N 0 0 456.547 1.723 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC(=O)NCc2ccco2)c1 ZINC001504121526 1070842530 /nfs/dbraw/zinc/84/25/30/1070842530.db2.gz ZOBIMQXYTWGOQV-OAHLLOKOSA-N 0 0 468.514 1.539 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001496267313 1070842503 /nfs/dbraw/zinc/84/25/03/1070842503.db2.gz AHBKYZQEDCIXCH-VQIMIIECSA-N 0 0 492.602 1.177 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cnn(CC)c4)C3)n2CCNC(=O)C(C)(C)C)CCOC1 ZINC001502732603 1070842612 /nfs/dbraw/zinc/84/26/12/1070842612.db2.gz HYIUHGRGRZYPLU-DVECYGJZSA-N 0 0 489.621 1.887 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N(C)Cc3ccon3)n2CCC[C@@H]2NC(=O)NC2=O)c1 ZINC001504121549 1070842575 /nfs/dbraw/zinc/84/25/75/1070842575.db2.gz PXYMSCLQMCMCFB-KRWDZBQOSA-N 0 0 455.475 1.575 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)n2CCS(C)(=O)=O)c1 ZINC001504122146 1070842595 /nfs/dbraw/zinc/84/25/95/1070842595.db2.gz NHBDIHPINSRBBU-UHFFFAOYSA-N 0 0 491.614 1.846 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001504128897 1070846830 /nfs/dbraw/zinc/84/68/30/1070846830.db2.gz CTQFYSHNTACWDH-UHFFFAOYSA-N 0 0 491.614 1.846 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001504121740 1070842643 /nfs/dbraw/zinc/84/26/43/1070842643.db2.gz HINRHYLSJVFCJY-HNAYVOBHSA-N 0 0 467.592 1.715 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2cccc(OCC(N)=O)c2)CCOC1 ZINC001502732868 1070842626 /nfs/dbraw/zinc/84/26/26/1070842626.db2.gz KXOOLUWFROVFPC-OSPHWJPCSA-N 0 0 473.574 1.846 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 ZINC001502732917 1070842664 /nfs/dbraw/zinc/84/26/64/1070842664.db2.gz LOUSUZRZWFXGSN-GMWOSMDTSA-N 0 0 478.594 1.560 20 0 JDADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(OC)CCC2)CC1 ZINC001496303520 1070846819 /nfs/dbraw/zinc/84/68/19/1070846819.db2.gz RJIGTDOKNLNVCU-IBGZPJMESA-N 0 0 475.638 1.510 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(OC)c4)C3)n2CC(=O)N(C)CC)CCOC1 ZINC001502732629 1070842758 /nfs/dbraw/zinc/84/27/58/1070842758.db2.gz IBRZIVDMMTUBQP-YKSBVNFPSA-N 0 0 473.574 1.995 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCS(=O)(=O)NC(C)C)c1 ZINC001504122298 1070842817 /nfs/dbraw/zinc/84/28/17/1070842817.db2.gz PHZQHIMGIFRKRI-BEFAXECRSA-N 0 0 492.602 1.005 20 0 JDADRN CC[C@@H](C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 ZINC001496268128 1070842858 /nfs/dbraw/zinc/84/28/58/1070842858.db2.gz DKODVAFJRUARJQ-UYAOXDASSA-N 0 0 486.621 1.609 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@@H](C4CC4)C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001504123080 1070842876 /nfs/dbraw/zinc/84/28/76/1070842876.db2.gz WKCNGVRLFOKTSP-MGPUTAFESA-N 0 0 479.603 1.857 20 0 JDADRN CCO[C@]1(c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CC(C)(C)C(=O)NC)CCOC1 ZINC001502732973 1070842975 /nfs/dbraw/zinc/84/29/75/1070842975.db2.gz MFXZQNFIDOSZER-PNLZDCPESA-N 0 0 451.568 1.087 20 0 JDADRN COc1cc(OC)cc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC(=O)N2CCOCC2)c1 ZINC001504122987 1070842972 /nfs/dbraw/zinc/84/29/72/1070842972.db2.gz VOIMMAMDRBPWQN-LJQANCHMSA-N 0 0 459.547 1.682 20 0 JDADRN 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COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CC(=O)NC(C)C)CC2)c(OC)n1 ZINC001504272543 1070991325 /nfs/dbraw/zinc/99/13/25/1070991325.db2.gz SKTDOOVPXIVVGW-UHFFFAOYSA-N 0 0 494.600 1.756 20 0 JDADRN COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(OC)c1 ZINC001504272679 1070993074 /nfs/dbraw/zinc/99/30/74/1070993074.db2.gz VETYXAPPKNWJFY-HNNXBMFYSA-N 0 0 460.560 1.809 20 0 JDADRN COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](C)(C(N)=O)C2)c(OC)c1OC ZINC001504272956 1070992573 /nfs/dbraw/zinc/99/25/73/1070992573.db2.gz AIYBPSOBGJECFA-MWTRTKDXSA-N 0 0 459.547 1.948 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](C)(C(N)=O)C2)c(OC)c1OC ZINC001504272954 1070992912 /nfs/dbraw/zinc/99/29/12/1070992912.db2.gz AIYBPSOBGJECFA-HJPURHCSSA-N 0 0 459.547 1.948 20 0 JDADRN COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)c(C(F)(F)F)c1 ZINC001504273764 1070994380 /nfs/dbraw/zinc/99/43/80/1070994380.db2.gz AZPLNLMBORBAFI-OCCSQVGLSA-N 0 0 489.520 1.956 20 0 JDADRN 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CCS(=O)(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001503280337 1071420914 /nfs/dbraw/zinc/42/09/14/1071420914.db2.gz NDEVGPCFCSSCEZ-UHFFFAOYSA-N 0 0 494.618 1.206 20 0 JDADRN COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)OC ZINC001504586996 1071421165 /nfs/dbraw/zinc/42/11/65/1071421165.db2.gz WHDXZSHYJMQGES-AOIWGVFYSA-N 0 0 452.552 1.975 20 0 JDADRN COC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1)OC ZINC001504586936 1071421278 /nfs/dbraw/zinc/42/12/78/1071421278.db2.gz ATSCKEACWTUYLI-NRFANRHFSA-N 0 0 470.618 1.849 20 0 JDADRN COC[C@H](Cn1c(Cc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)OC ZINC001504587293 1071422078 /nfs/dbraw/zinc/42/20/78/1071422078.db2.gz CEJHTZRLOAVBGB-HKUYNNGSSA-N 0 0 469.542 1.996 20 0 JDADRN CCS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cc2ccccc2)C1 ZINC001503280571 1071422293 /nfs/dbraw/zinc/42/22/93/1071422293.db2.gz VAAYUTATWPPFLK-MOPGFXCFSA-N 0 0 476.603 1.007 20 0 JDADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001503280610 1071422367 /nfs/dbraw/zinc/42/23/67/1071422367.db2.gz AEKDBLBHVFUYGH-FUHWJXTLSA-N 0 0 492.577 1.407 20 0 JDADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001503280706 1071423331 /nfs/dbraw/zinc/42/33/31/1071423331.db2.gz BIJNQJCBQALIMB-HNNXBMFYSA-N 0 0 474.509 1.824 20 0 JDADRN COC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)OC ZINC001504587876 1071423575 /nfs/dbraw/zinc/42/35/75/1071423575.db2.gz FZAJIFWFGGDNBG-CTNGQTDRSA-N 0 0 470.574 1.605 20 0 JDADRN COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)OC ZINC001504587563 1071423608 /nfs/dbraw/zinc/42/36/08/1071423608.db2.gz ZIXCMQQBGMVXCC-WDSOQIARSA-N 0 0 485.651 1.219 20 0 JDADRN COC[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1)OC ZINC001504589326 1071427910 /nfs/dbraw/zinc/42/79/10/1071427910.db2.gz LQBIIFFHJKNCGN-DLBZAZTESA-N 0 0 472.546 1.886 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001503280766 1071423827 /nfs/dbraw/zinc/42/38/27/1071423827.db2.gz RXDMMKMAHHLRBR-LJQANCHMSA-N 0 0 475.575 1.204 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001503280750 1071423865 /nfs/dbraw/zinc/42/38/65/1071423865.db2.gz RVEUTGHXRLHKEL-GOSISDBHSA-N 0 0 476.603 1.484 20 0 JDADRN COC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC ZINC001504589543 1071428069 /nfs/dbraw/zinc/42/80/69/1071428069.db2.gz PVAAQFQVKJDLSO-LJQANCHMSA-N 0 0 463.604 1.667 20 0 JDADRN COC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC ZINC001504587962 1071424491 /nfs/dbraw/zinc/42/44/91/1071424491.db2.gz GMGWBGCZSLAQSH-VQTJNVASSA-N 0 0 461.538 1.497 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001503280999 1071424804 /nfs/dbraw/zinc/42/48/04/1071424804.db2.gz FPXHDGIDBSWBMG-QGZVFWFLSA-N 0 0 485.614 1.924 20 0 JDADRN COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1)OC ZINC001504588111 1071425250 /nfs/dbraw/zinc/42/52/50/1071425250.db2.gz HGFNSPPHWXJPAC-MOPGFXCFSA-N 0 0 474.537 1.382 20 0 JDADRN COC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC ZINC001504588604 1071426069 /nfs/dbraw/zinc/42/60/69/1071426069.db2.gz JJBIFJSBLSLVHA-RTBURBONSA-N 0 0 460.560 1.416 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001503281240 1071426141 /nfs/dbraw/zinc/42/61/41/1071426141.db2.gz WQHBMGPUWJMGMC-UHFFFAOYSA-N 0 0 474.587 1.935 20 0 JDADRN COC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)OC ZINC001504589836 1071428172 /nfs/dbraw/zinc/42/81/72/1071428172.db2.gz RNVHVHPCMBSUDT-DOTOQJQBSA-N 0 0 495.506 1.683 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001503281384 1071427074 /nfs/dbraw/zinc/42/70/74/1071427074.db2.gz CVAAUFKSFSYSOS-NRFANRHFSA-N 0 0 457.560 1.134 20 0 JDADRN COC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)OC ZINC001504589426 1071428325 /nfs/dbraw/zinc/42/83/25/1071428325.db2.gz PKHQNLUPXMJSRV-FQEVSTJZSA-N 0 0 493.008 1.758 20 0 JDADRN COC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)OC ZINC001504589237 1071428340 /nfs/dbraw/zinc/42/83/40/1071428340.db2.gz LBTDFOQTFPMGNI-SFHVURJKSA-N 0 0 455.494 1.384 20 0 JDADRN COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)OC ZINC001504588971 1071427028 /nfs/dbraw/zinc/42/70/28/1071427028.db2.gz KNZWQCNDRMTMNJ-KKUMJFAQSA-N 0 0 471.484 1.947 20 0 JDADRN COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001504591627 1071433842 /nfs/dbraw/zinc/43/38/42/1071433842.db2.gz CBZAFBAPNUCVKM-FUHWJXTLSA-N 0 0 488.630 1.492 20 0 JDADRN COC[C@@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001504591629 1071433872 /nfs/dbraw/zinc/43/38/72/1071433872.db2.gz CBZAFBAPNUCVKM-WMZOPIPTSA-N 0 0 488.630 1.492 20 0 JDADRN COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)OC ZINC001504589983 1071429143 /nfs/dbraw/zinc/42/91/43/1071429143.db2.gz UKTKMTHLYNEMJL-QFIPXVFZSA-N 0 0 485.633 1.450 20 0 JDADRN COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)OC ZINC001504590460 1071429177 /nfs/dbraw/zinc/42/91/77/1071429177.db2.gz XRLGNOXCCMZIRD-IBGZPJMESA-N 0 0 469.546 1.621 20 0 JDADRN COC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)OC ZINC001504590256 1071429203 /nfs/dbraw/zinc/42/92/03/1071429203.db2.gz VRBGOTYFXMXKMZ-INIZCTEOSA-N 0 0 460.510 1.190 20 0 JDADRN COC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)OC ZINC001504590183 1071429216 /nfs/dbraw/zinc/42/92/16/1071429216.db2.gz UMMDLZDDACAWGI-IBGZPJMESA-N 0 0 490.992 1.111 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)CC1 ZINC001503281561 1071429227 /nfs/dbraw/zinc/42/92/27/1071429227.db2.gz XMGIXXOREOOGGT-UHFFFAOYSA-N 0 0 477.410 1.035 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](COC)C1 ZINC001503281682 1071429377 /nfs/dbraw/zinc/42/93/77/1071429377.db2.gz HJULNISSVDCLOP-KRWDZBQOSA-N 0 0 459.576 1.543 20 0 JDADRN COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)OC ZINC001504589982 1071429360 /nfs/dbraw/zinc/42/93/60/1071429360.db2.gz UKTKMTHLYNEMJL-JOCHJYFZSA-N 0 0 485.633 1.450 20 0 JDADRN COC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)OC ZINC001504590743 1071429923 /nfs/dbraw/zinc/42/99/23/1071429923.db2.gz YUMNKJPOHDZMHK-IAGOWNOFSA-N 0 0 472.525 1.201 20 0 JDADRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001503281755 1071430012 /nfs/dbraw/zinc/43/00/12/1071430012.db2.gz KIHUZZJVZJRQBX-AWEZNQCLSA-N 0 0 460.551 1.574 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001503281613 1071430077 /nfs/dbraw/zinc/43/00/77/1071430077.db2.gz YCXCYSDZIRDFQV-CQSZACIVSA-N 0 0 485.408 1.349 20 0 JDADRN COC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)OC ZINC001504590750 1071430078 /nfs/dbraw/zinc/43/00/78/1071430078.db2.gz YVCSRGDODUZKDX-CABCVRRESA-N 0 0 490.515 1.340 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001503281635 1071430213 /nfs/dbraw/zinc/43/02/13/1071430213.db2.gz YONMGNHJLVDOKF-UHFFFAOYSA-N 0 0 486.602 1.318 20 0 JDADRN CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001503281685 1071430251 /nfs/dbraw/zinc/43/02/51/1071430251.db2.gz KADFYVZVRPYHGR-UHFFFAOYSA-N 0 0 452.625 1.570 20 0 JDADRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001503281761 1071430283 /nfs/dbraw/zinc/43/02/83/1071430283.db2.gz KIHUZZJVZJRQBX-CQSZACIVSA-N 0 0 460.551 1.574 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001503281612 1071430383 /nfs/dbraw/zinc/43/03/83/1071430383.db2.gz YCXCYSDZIRDFQV-AWEZNQCLSA-N 0 0 485.408 1.349 20 0 JDADRN COC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)OC ZINC001504590752 1071430408 /nfs/dbraw/zinc/43/04/08/1071430408.db2.gz YVCSRGDODUZKDX-HUUCEWRRSA-N 0 0 490.515 1.340 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001503282062 1071434033 /nfs/dbraw/zinc/43/40/33/1071434033.db2.gz LIVLCIBARVJDIJ-UHFFFAOYSA-N 0 0 475.550 1.861 20 0 JDADRN COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504590999 1071430901 /nfs/dbraw/zinc/43/09/01/1071430901.db2.gz RTBLWYLUZCKZPM-WOJBJXKFSA-N 0 0 471.606 1.443 20 0 JDADRN CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001503281727 1071431056 /nfs/dbraw/zinc/43/10/56/1071431056.db2.gz ZMSNPYYSGOTEKO-FUHWJXTLSA-N 0 0 489.602 1.515 20 0 JDADRN COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001504590996 1071431317 /nfs/dbraw/zinc/43/13/17/1071431317.db2.gz RTBLWYLUZCKZPM-PMACEKPBSA-N 0 0 471.606 1.443 20 0 JDADRN COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1)OC ZINC001504591095 1071431369 /nfs/dbraw/zinc/43/13/69/1071431369.db2.gz UEAMKJVTQVGYDV-IEBWSBKVSA-N 0 0 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1072221294 /nfs/dbraw/zinc/22/12/94/1072221294.db2.gz VEOPOICPSDPQOY-AOIWGVFYSA-N 0 0 464.611 1.216 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001505084578 1072221526 /nfs/dbraw/zinc/22/15/26/1072221526.db2.gz VADZBMBYFVPMLA-KXBFYZLASA-N 0 0 479.965 1.999 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(F)c(F)c1 ZINC001505085372 1072223546 /nfs/dbraw/zinc/22/35/46/1072223546.db2.gz LSIVRCZQMDAZMY-ZWOKBUDYSA-N 0 0 465.501 1.670 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1CCS(=O)(=O)c1ccccc1 ZINC001505085473 1072223574 /nfs/dbraw/zinc/22/35/74/1072223574.db2.gz MOUMVUREYVDQKZ-WMZOPIPTSA-N 0 0 468.601 1.045 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(OC(F)F)cc1 ZINC001505085330 1072223661 /nfs/dbraw/zinc/22/36/61/1072223661.db2.gz KZKDJDSBFNVRHI-IHPCNDPISA-N 0 0 495.527 1.993 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ncn(C)n1 ZINC001505085048 1072221605 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JDADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCN=S(C)(C)=O)c12 ZINC001471982533 1068937188 /nfs/dbraw/zinc/93/71/88/1068937188.db2.gz DZHVCNPSUSXBBR-CQSZACIVSA-N 0 0 453.590 1.434 20 0 JDADRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001471988005 1068937866 /nfs/dbraw/zinc/93/78/66/1068937866.db2.gz YTDJLICCXOZGHW-CQSZACIVSA-N 0 0 451.317 1.825 20 0 JDADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001471998650 1068938506 /nfs/dbraw/zinc/93/85/06/1068938506.db2.gz WODUROPMCPABQN-UHFFFAOYSA-N 0 0 456.528 1.369 20 0 JDADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC001471989978 1068938621 /nfs/dbraw/zinc/93/86/21/1068938621.db2.gz ARVFELDFPCVXIT-MRXNPFEDSA-N 0 0 453.561 1.235 20 0 JDADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC001472000145 1068939121 /nfs/dbraw/zinc/93/91/21/1068939121.db2.gz MGYJZRKTNDMWGI-UHFFFAOYSA-N 0 0 455.519 1.989 20 0 JDADRN CC(C)O[C@@]1(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOC1 ZINC001471999160 1068939223 /nfs/dbraw/zinc/93/92/23/1068939223.db2.gz WVQOLMCAXVJGNO-OAQYLSRUSA-N 0 0 456.561 1.607 20 0 JDADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C)c1 ZINC001472001448 1068939695 /nfs/dbraw/zinc/93/96/95/1068939695.db2.gz MBHKRILLMAJNAB-NVXWUHKLSA-N 0 0 453.561 1.247 20 0 JDADRN COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)[C@H]([C@H]2CCCO2)C1 ZINC001472002620 1068939753 /nfs/dbraw/zinc/93/97/53/1068939753.db2.gz BOZCCMJECGPZAN-NZSAHSFTSA-N 0 0 452.529 1.127 20 0 JDADRN COC(=O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC001472002640 1068940293 /nfs/dbraw/zinc/94/02/93/1068940293.db2.gz CBNSQWKSOFWYNN-OIISXLGYSA-N 0 0 458.964 1.968 20 0 JDADRN COC(=O)[C@@H]1C[C@H](NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)[C@H]2C[C@H]21 ZINC001472007468 1068940322 /nfs/dbraw/zinc/94/03/22/1068940322.db2.gz CLMSFDQSLNLINT-WCIQWLHISA-N 0 0 460.556 1.383 20 0 JDADRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001472009548 1068940689 /nfs/dbraw/zinc/94/06/89/1068940689.db2.gz GECCPFMPGATVNV-FOIQADDNSA-N 0 0 455.581 1.479 20 0 JDADRN COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)O1 ZINC001472009662 1068940830 /nfs/dbraw/zinc/94/08/30/1068940830.db2.gz HWGQHZDFOORWNY-SESVDKBCSA-N 0 0 452.573 1.481 20 0 JDADRN COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)O1 ZINC001472009074 1068940875 /nfs/dbraw/zinc/94/08/75/1068940875.db2.gz MGYNLLCPQXFITB-VLCRHTCISA-N 0 0 451.539 1.605 20 0 JDADRN CN1c2cc(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)ccc2OCC(C)(C)C1=O ZINC001472018632 1068941191 /nfs/dbraw/zinc/94/11/91/1068941191.db2.gz GNTXOAWMZCXKAW-JOCHJYFZSA-N 0 0 458.515 1.622 20 0 JDADRN CNS(=O)(=O)CC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 ZINC001472015555 1068941405 /nfs/dbraw/zinc/94/14/05/1068941405.db2.gz ZKPCSUMBBUDEEB-HZPDHXFCSA-N 0 0 453.561 1.692 20 0 JDADRN 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/nfs/dbraw/zinc/08/52/50/1069085250.db2.gz DKZGCTXLBXATOH-TUNNFDKTSA-N 0 0 456.587 1.600 20 0 JDADRN CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCNS(C)(=O)=O)C[C@H]1N1CCOCC1 ZINC001499784724 1069085851 /nfs/dbraw/zinc/08/58/51/1069085851.db2.gz MOGBHNJTSAJQRU-TZIWHRDSSA-N 0 0 492.646 1.262 20 0 JDADRN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCNS(C)(=O)=O)C[C@H]1N1CCOCC1 ZINC001499785762 1069085919 /nfs/dbraw/zinc/08/59/19/1069085919.db2.gz IDAZAFICELMMAK-PKOBYXMFSA-N 0 0 496.609 1.092 20 0 JDADRN COCCNC(=O)c1c2c(sc1NC(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CCCC2 ZINC001473162748 1069086100 /nfs/dbraw/zinc/08/61/00/1069086100.db2.gz HFIBYYVAADFVOA-UONOGXRCSA-N 0 0 459.634 1.695 20 0 JDADRN CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC001499786401 1069086717 /nfs/dbraw/zinc/08/67/17/1069086717.db2.gz PGIOGPFXMAZSEC-DLBZAZTESA-N 0 0 450.561 1.916 20 0 JDADRN CCN1CCN(C(=O)CC2CCN(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC001473164622 1069086802 /nfs/dbraw/zinc/08/68/02/1069086802.db2.gz 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20 0 JDADRN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001473169277 1069087935 /nfs/dbraw/zinc/08/79/35/1069087935.db2.gz WNCPRKAZKCGSMS-HZPDHXFCSA-N 0 0 450.605 1.486 20 0 JDADRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@@H](COC)C1 ZINC001473173499 1069088875 /nfs/dbraw/zinc/08/88/75/1069088875.db2.gz LOLXYBQJWUIUGQ-QGZVFWFLSA-N 0 0 455.577 1.546 20 0 JDADRN CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001499789897 1069089362 /nfs/dbraw/zinc/08/93/62/1069089362.db2.gz YSUTWPLVDBAUQQ-IKGGRYGDSA-N 0 0 491.593 1.954 20 0 JDADRN CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001499795038 1069089486 /nfs/dbraw/zinc/08/94/86/1069089486.db2.gz LJUASUGJOPWNAH-CDVVCGDMSA-N 0 0 462.576 1.523 20 0 JDADRN CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001499794260 1069089513 /nfs/dbraw/zinc/08/95/13/1069089513.db2.gz ILQKIVLAOYVLTJ-IVCWSTDESA-N 0 0 495.694 1.671 20 0 JDADRN CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)CC2 ZINC001473178987 1069089805 /nfs/dbraw/zinc/08/98/05/1069089805.db2.gz BKEUBBQJYLCJES-VQTJNVASSA-N 0 0 453.605 1.908 20 0 JDADRN CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001499795067 1069090308 /nfs/dbraw/zinc/09/03/08/1069090308.db2.gz LVUHFRYEFFPRQU-SMTIMMHKSA-N 0 0 495.694 1.768 20 0 JDADRN CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001499796624 1069090315 /nfs/dbraw/zinc/09/03/15/1069090315.db2.gz XHMUPASCDUCKPS-XVJNWHFHSA-N 0 0 462.642 1.105 20 0 JDADRN CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001499795809 1069090323 /nfs/dbraw/zinc/09/03/23/1069090323.db2.gz PYGDBANSNMIJGO-PSKZRQQASA-N 0 0 454.626 1.731 20 0 JDADRN CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001499795810 1069090332 /nfs/dbraw/zinc/09/03/32/1069090332.db2.gz PYGDBANSNMIJGO-UZYOAWRESA-N 0 0 454.626 1.731 20 0 JDADRN CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001499795068 1069090371 /nfs/dbraw/zinc/09/03/71/1069090371.db2.gz LVUHFRYEFFPRQU-ZAOIQFLMSA-N 0 0 495.694 1.768 20 0 JDADRN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2ccccc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001473184603 1069090504 /nfs/dbraw/zinc/09/05/04/1069090504.db2.gz LBOAKYZUYJIWCZ-ABSDTBQOSA-N 0 0 458.584 1.794 20 0 JDADRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC001473182102 1069090552 /nfs/dbraw/zinc/09/05/52/1069090552.db2.gz UZGTVRPRCGNLEN-KXBFYZLASA-N 0 0 458.437 1.537 20 0 JDADRN CN(CCCOc1ccccc1)C(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001473183069 1069090635 /nfs/dbraw/zinc/09/06/35/1069090635.db2.gz RCSAFGVLFKBWOK-UHFFFAOYSA-N 0 0 454.575 1.363 20 0 JDADRN CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)CCN1CCN(c3ccccc3)CC1)C2=O ZINC001473185126 1069090665 /nfs/dbraw/zinc/09/06/65/1069090665.db2.gz ICAMXRAEZGFIIO-UHFFFAOYSA-N 0 0 456.591 1.272 20 0 JDADRN CC/C=C\Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001499800881 1069091123 /nfs/dbraw/zinc/09/11/23/1069091123.db2.gz KXRBAUJULUYQSG-SFFCAUCYSA-N 0 0 460.604 1.682 20 0 JDADRN CC/C=C\Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001499800465 1069091247 /nfs/dbraw/zinc/09/12/47/1069091247.db2.gz CJGODSVYYVYZJT-SREVYHEPSA-N 0 0 476.603 1.457 20 0 JDADRN CC/C=C\Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001499800883 1069091306 /nfs/dbraw/zinc/09/13/06/1069091306.db2.gz KXRBAUJULUYQSG-VOFKWLDRSA-N 0 0 460.604 1.682 20 0 JDADRN Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC001473194842 1069091676 /nfs/dbraw/zinc/09/16/76/1069091676.db2.gz LXIVVWFTMWAEES-UHFFFAOYSA-N 0 0 457.549 1.386 20 0 JDADRN CCCCn1c(N)c(N(CCOC)C(=O)CN2C[C@H](CC)Oc3ccccc32)c(=O)[nH]c1=O ZINC001473194408 1069091721 /nfs/dbraw/zinc/09/17/21/1069091721.db2.gz CXQXHMHEBRAAQC-INIZCTEOSA-N 0 0 459.547 1.988 20 0 JDADRN CC/C=C\Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001499806846 1069092185 /nfs/dbraw/zinc/09/21/85/1069092185.db2.gz VQZMQBHSDOHBMX-WAYWQWQTSA-N 0 0 498.584 1.436 20 0 JDADRN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)Cc1nccn1Cc1ccccc1 ZINC001473195796 1069092394 /nfs/dbraw/zinc/09/23/94/1069092394.db2.gz ITAYWTPMXFFOTQ-GOSISDBHSA-N 0 0 455.584 1.758 20 0 JDADRN CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001499825982 1069092669 /nfs/dbraw/zinc/09/26/69/1069092669.db2.gz ABPGUMPXKBKLNW-NGHLMZTLSA-N 0 0 470.596 1.292 20 0 JDADRN CC/C=C\Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001499818255 1069092761 /nfs/dbraw/zinc/09/27/61/1069092761.db2.gz HPFXLQCNDWZVBF-WAYWQWQTSA-N 0 0 450.565 1.832 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001499825983 1069092814 /nfs/dbraw/zinc/09/28/14/1069092814.db2.gz ABPGUMPXKBKLNW-SEDCNLEPSA-N 0 0 470.596 1.292 20 0 JDADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCC[C@@H]1CN1CCOCC1 ZINC001473199005 1069092986 /nfs/dbraw/zinc/09/29/86/1069092986.db2.gz ZWVJZUGEDHWJJK-OAHLLOKOSA-N 0 0 452.577 1.328 20 0 JDADRN CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 ZINC001499826509 1069093116 /nfs/dbraw/zinc/09/31/16/1069093116.db2.gz FKLGBXHLYAMTLL-MRSBXDGLSA-N 0 0 486.602 1.794 20 0 JDADRN CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001499826446 1069093192 /nfs/dbraw/zinc/09/31/92/1069093192.db2.gz DLTFZXZEUAQGGT-YOTHFGKCSA-N 0 0 491.614 1.861 20 0 JDADRN CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001499827538 1069093231 /nfs/dbraw/zinc/09/32/31/1069093231.db2.gz JLQFJYSGNVKBPS-TWZRTHNCSA-N 0 0 466.608 1.072 20 0 JDADRN CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 ZINC001499826507 1069093249 /nfs/dbraw/zinc/09/32/49/1069093249.db2.gz FKLGBXHLYAMTLL-FMSOUQGNSA-N 0 0 486.602 1.794 20 0 JDADRN 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CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCO[C@@H](C)C2)cc1 ZINC001502414814 1070353803 /nfs/dbraw/zinc/35/38/03/1070353803.db2.gz WBNJLZQVCWQCBX-LPHOPBHVSA-N 0 0 461.588 1.593 20 0 JDADRN CCNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001502417628 1070357058 /nfs/dbraw/zinc/35/70/58/1070357058.db2.gz QXMUINAGMVTADA-OWCLPIDISA-N 0 0 464.592 1.300 20 0 JDADRN CCNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)c1 ZINC001502417808 1070357145 /nfs/dbraw/zinc/35/71/45/1070357145.db2.gz VGAJIUBJCLUBNA-MZNJEOGPSA-N 0 0 486.573 1.831 20 0 JDADRN CCNC(=O)c1cccc(Cn2c(C)nnc2N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 ZINC001502417804 1070357384 /nfs/dbraw/zinc/35/73/84/1070357384.db2.gz VCRZBXWALIFUJV-UHFFFAOYSA-N 0 0 481.601 1.325 20 0 JDADRN CCNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)CC2)c1 ZINC001502419208 1070359586 /nfs/dbraw/zinc/35/95/86/1070359586.db2.gz MZYUFRFFWYYFFZ-FQEVSTJZSA-N 0 0 490.630 1.645 20 0 JDADRN 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CCNC(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)CC1 ZINC001502422476 1070363935 /nfs/dbraw/zinc/36/39/35/1070363935.db2.gz AMCLJCBDCSUHCA-MRXNPFEDSA-N 0 0 490.659 1.032 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001502422585 1070364055 /nfs/dbraw/zinc/36/40/55/1070364055.db2.gz DBMVNIBRFLYLAN-SJLPKXTDSA-N 0 0 473.553 1.094 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CCOCC2)CC1 ZINC001502422482 1070364091 /nfs/dbraw/zinc/36/40/91/1070364091.db2.gz AOQZGTQOPPEMAO-NRFANRHFSA-N 0 0 483.661 1.930 20 0 JDADRN CCNC(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC001502419422 1070359703 /nfs/dbraw/zinc/35/97/03/1070359703.db2.gz SAIPHPONTBGRHD-VLCRHTCISA-N 0 0 498.628 1.948 20 0 JDADRN CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](OCCOC)C2)c1 ZINC001502419138 1070359897 /nfs/dbraw/zinc/35/98/97/1070359897.db2.gz KTKHCUVCRRKQGG-RTBURBONSA-N 0 0 456.547 1.269 20 0 JDADRN 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CCO[C@]1(c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](COC)OC)CCOC1 ZINC001502714949 1070823105 /nfs/dbraw/zinc/82/31/05/1070823105.db2.gz RYASGYCNVSNFMC-GPMSIDNRSA-N 0 0 465.517 1.664 20 0 JDADRN COc1cc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2([S@@](C)=O)CC2)cc(OC)c1OC ZINC001504080679 1070823178 /nfs/dbraw/zinc/82/31/78/1070823178.db2.gz KVEBEVKCOCHVCX-WJOKGBTCSA-N 0 0 484.600 1.117 20 0 JDADRN COc1cc(-c2nnc(N3CCCN(C(C)=O)CC3)n2Cc2ccn(C)n2)cc(OC)c1OC ZINC001504080729 1070823264 /nfs/dbraw/zinc/82/32/64/1070823264.db2.gz LTDLTLSMRJCBKT-UHFFFAOYSA-N 0 0 469.546 1.811 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2C[C@](C)(O)c2cccs2)CCOC1 ZINC001502715355 1070823321 /nfs/dbraw/zinc/82/33/21/1070823321.db2.gz VCSMVVOBWHEATB-SFTDATJTSA-N 0 0 465.576 1.788 20 0 JDADRN COc1cc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)ccc1C ZINC001504081026 1070823522 /nfs/dbraw/zinc/82/35/22/1070823522.db2.gz HPDRQZCRPBHQFP-UHFFFAOYSA-N 0 0 499.597 1.567 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001495848854 1070823514 /nfs/dbraw/zinc/82/35/14/1070823514.db2.gz BGKYUOIHESUTKD-WBVHZDCISA-N 0 0 492.650 1.259 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCc1ccc(C)c(OC)c1 ZINC001495848885 1070823520 /nfs/dbraw/zinc/82/35/20/1070823520.db2.gz BTEHYFSXCPVMKI-KRWDZBQOSA-N 0 0 496.616 1.818 20 0 JDADRN COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc(OC)c1OC ZINC001504090215 1070827992 /nfs/dbraw/zinc/82/79/92/1070827992.db2.gz GURRLGMFYFPXDQ-FUHWJXTLSA-N 0 0 486.573 1.656 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCc1ccc(C)c(OC)c1 ZINC001495848886 1070823576 /nfs/dbraw/zinc/82/35/76/1070823576.db2.gz BTEHYFSXCPVMKI-QGZVFWFLSA-N 0 0 496.616 1.818 20 0 JDADRN CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001495982628 1070828668 /nfs/dbraw/zinc/82/86/68/1070828668.db2.gz AKMKBGJBSFHPOM-IERDGZPVSA-N 0 0 499.659 1.227 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC(=O)NC(C)C ZINC001495848902 1070823739 /nfs/dbraw/zinc/82/37/39/1070823739.db2.gz CHNJSBLDXLMJHI-SFHVURJKSA-N 0 0 462.620 1.968 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001495848929 1070823749 /nfs/dbraw/zinc/82/37/49/1070823749.db2.gz CVILTAQOVWLYAO-GHMZBOCLSA-N 0 0 457.482 1.462 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 ZINC001502715470 1070823811 /nfs/dbraw/zinc/82/38/11/1070823811.db2.gz WELKBXNWRQTOCS-DMPWYTOCSA-N 0 0 464.567 1.122 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1Cc1ccc(C)nc1 ZINC001495848926 1070823810 /nfs/dbraw/zinc/82/38/10/1070823810.db2.gz CQNOECCRCVWFKG-OAHLLOKOSA-N 0 0 453.551 1.010 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2Cc2ccc(OC)nc2OC)CCOC1 ZINC001502715432 1070823845 /nfs/dbraw/zinc/82/38/45/1070823845.db2.gz VQECFXRIVJVOLB-QMHKHESXSA-N 0 0 474.562 1.448 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001495848932 1070823859 /nfs/dbraw/zinc/82/38/59/1070823859.db2.gz CVILTAQOVWLYAO-WDEREUQCSA-N 0 0 457.482 1.462 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1C[C@@H]1COCCO1 ZINC001495848936 1070823876 /nfs/dbraw/zinc/82/38/76/1070823876.db2.gz CXFZLVGSWBDAHM-QZTJIDSGSA-N 0 0 459.613 1.084 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2C[C@@H](COC)OC)CCOC1 ZINC001502715808 1070823977 /nfs/dbraw/zinc/82/39/77/1070823977.db2.gz YPESGADQCMZKPV-RDPSFJRHSA-N 0 0 479.622 1.963 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CC(=O)NC2CCCCC2)CCOC1 ZINC001502715632 1070823987 /nfs/dbraw/zinc/82/39/87/1070823987.db2.gz WZYROAHDDYIZCT-SBUREZEXSA-N 0 0 462.595 1.436 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC(=O)NC2CCCCC2)CCOC1 ZINC001502715633 1070824085 /nfs/dbraw/zinc/82/40/85/1070824085.db2.gz WZYROAHDDYIZCT-UZUQRXQVSA-N 0 0 462.595 1.436 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2CC2([S@@](C)=O)CC2)CCOC1 ZINC001502715623 1070824160 /nfs/dbraw/zinc/82/41/60/1070824160.db2.gz WUNLAEVZQIFTCB-XSGLIYAJSA-N 0 0 455.581 1.118 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1nncn1-c1ccccc1 ZINC001495848968 1070824161 /nfs/dbraw/zinc/82/41/61/1070824161.db2.gz DLPUHTABEJIFLY-SJORKVTESA-N 0 0 458.592 1.891 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 ZINC001495849371 1070824186 /nfs/dbraw/zinc/82/41/86/1070824186.db2.gz GLICZOPPWNWVRK-IAGOWNOFSA-N 0 0 477.639 1.374 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCCN(C)c1ccccc1 ZINC001495849105 1070824210 /nfs/dbraw/zinc/82/42/10/1070824210.db2.gz DZEYUGUTVVREQK-QUCCMNQESA-N 0 0 453.591 1.855 20 0 JDADRN COc1cc(Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)ccc1OCCO ZINC001504090229 1070828061 /nfs/dbraw/zinc/82/80/61/1070828061.db2.gz GPTLQHAIJPLUCV-UHFFFAOYSA-N 0 0 459.528 1.003 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1Cc1ccc(F)cc1F ZINC001495849127 1070824257 /nfs/dbraw/zinc/82/42/57/1070824257.db2.gz FDOYDPFSSXLEPV-AWEZNQCLSA-N 0 0 474.516 1.585 20 0 JDADRN COc1cc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C)n(C)c2=O)cc(OC)c1OC ZINC001504081826 1070824258 /nfs/dbraw/zinc/82/42/58/1070824258.db2.gz XXZOVMYHLBFYBQ-UHFFFAOYSA-N 0 0 482.541 1.353 20 0 JDADRN COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@]2(O)CCS(=O)(=O)C2)ccc1OC(C)C ZINC001504081544 1070824303 /nfs/dbraw/zinc/82/43/03/1070824303.db2.gz NRKJIIBOBGBJHV-AOMKIAJQSA-N 0 0 480.587 1.516 20 0 JDADRN COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc(OC)c1OC ZINC001504081602 1070824313 /nfs/dbraw/zinc/82/43/13/1070824313.db2.gz NYTAWBJRKJHIRZ-INIZCTEOSA-N 0 0 498.627 1.507 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CCOC1 ZINC001502717030 1070824344 /nfs/dbraw/zinc/82/43/44/1070824344.db2.gz ABDJJDZACSQFAM-HXUWFJFHSA-N 0 0 453.494 1.676 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CCN(C)CC(F)(F)F)CCOC1 ZINC001502715862 1070824375 /nfs/dbraw/zinc/82/43/75/1070824375.db2.gz ZLFCOQIJODBCTM-HNAYVOBHSA-N 0 0 462.517 1.481 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)n2C[C@@H](C)OC)CCOC1 ZINC001502715931 1070824395 /nfs/dbraw/zinc/82/43/95/1070824395.db2.gz ZUSMFWFHGQVHRD-KHCICDEESA-N 0 0 478.638 1.534 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)n2C[C@@H](C)OC)CCOC1 ZINC001502715938 1070824426 /nfs/dbraw/zinc/82/44/26/1070824426.db2.gz ZUSMFWFHGQVHRD-YDIMBITNSA-N 0 0 478.638 1.534 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 ZINC001502715945 1070824440 /nfs/dbraw/zinc/82/44/40/1070824440.db2.gz ZWVNZMOQUOUUHG-QFIPXVFZSA-N 0 0 466.583 1.512 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(CC(F)F)CC3)n2CC(C)(C)N2CCOCC2)CCOC1 ZINC001502720787 1070828574 /nfs/dbraw/zinc/82/85/74/1070828574.db2.gz AZJGWENWJIMZNI-QFIPXVFZSA-N 0 0 472.581 1.428 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001495849612 1070824471 /nfs/dbraw/zinc/82/44/71/1070824471.db2.gz ISAKBXFEWKJDEO-SJORKVTESA-N 0 0 478.619 1.700 20 0 JDADRN COc1cc(-c2nnc(N3CCOC[C@H]3C)n2CC2(C(N)=O)CCOCC2)cc(OC)c1OC ZINC001504082573 1070824502 /nfs/dbraw/zinc/82/45/02/1070824502.db2.gz SXQNTCVVERAPLW-OAHLLOKOSA-N 0 0 475.546 1.478 20 0 JDADRN COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2CC2(C(N)=O)CCOCC2)cc(OC)c1OC ZINC001504082568 1070824573 /nfs/dbraw/zinc/82/45/73/1070824573.db2.gz SXQNTCVVERAPLW-HNNXBMFYSA-N 0 0 475.546 1.478 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 ZINC001502717114 1070824658 /nfs/dbraw/zinc/82/46/58/1070824658.db2.gz BNWWZUQYNVCFCF-JCOAXYOVSA-N 0 0 453.609 1.288 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CCOC1 ZINC001502717097 1070824758 /nfs/dbraw/zinc/82/47/58/1070824758.db2.gz BKYLUXAVLRNXJF-HKARXFIJSA-N 0 0 480.610 1.758 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)Cc1ccc(OC)cc1 ZINC001495850354 1070824718 /nfs/dbraw/zinc/82/47/18/1070824718.db2.gz NPQYFRSCJVRTGF-JENIJYKNSA-N 0 0 454.575 1.826 20 0 JDADRN COc1cc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@]2(O)CCOC2)ccc1OC(C)C ZINC001504082603 1070824765 /nfs/dbraw/zinc/82/47/65/1070824765.db2.gz UAQCQSKFNISXCA-CYFREDJKSA-N 0 0 489.573 1.234 20 0 JDADRN COc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc(OC)c1OC ZINC001504082876 1070824790 /nfs/dbraw/zinc/82/47/90/1070824790.db2.gz WCGANMPBXWZMBI-HOCLYGCPSA-N 0 0 488.545 1.574 20 0 JDADRN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](n3cncn3)C2)ccc1C ZINC001504082997 1070824801 /nfs/dbraw/zinc/82/48/01/1070824801.db2.gz ZDEZMVFIMFXVRD-HKUYNNGSSA-N 0 0 488.618 1.881 20 0 JDADRN COc1cc(-c2nnc(N3CCOCC3)n2CC2(C(N)=O)CCOCC2)ccc1OC(C)C ZINC001504082691 1070824887 /nfs/dbraw/zinc/82/48/87/1070824887.db2.gz UNFWAWNRRUFMDF-UHFFFAOYSA-N 0 0 459.547 1.860 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001495850946 1070824980 /nfs/dbraw/zinc/82/49/80/1070824980.db2.gz PGBNKKONOKMODD-JYJNAYRXSA-N 0 0 463.583 1.194 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCOc1c(C)cccc1C ZINC001495850389 1070825001 /nfs/dbraw/zinc/82/50/01/1070825001.db2.gz NVNKUXPJVRRUBX-QGZVFWFLSA-N 0 0 496.616 1.954 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@@H]1CCSC1(C)C ZINC001495850679 1070825104 /nfs/dbraw/zinc/82/51/04/1070825104.db2.gz OKLGGQYPKHPBSO-CVEARBPZSA-N 0 0 476.651 1.790 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@H]1CCSC1(C)C ZINC001495850689 1070825150 /nfs/dbraw/zinc/82/51/50/1070825150.db2.gz OKLGGQYPKHPBSO-JKSUJKDBSA-N 0 0 476.651 1.790 20 0 JDADRN CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@@H]1CCSC1(C)C ZINC001495850683 1070825159 /nfs/dbraw/zinc/82/51/59/1070825159.db2.gz OKLGGQYPKHPBSO-HOTGVXAUSA-N 0 0 476.651 1.790 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001495850956 1070825280 /nfs/dbraw/zinc/82/52/80/1070825280.db2.gz PHFOEDHTTFZABF-ROUUACIJSA-N 0 0 477.635 1.542 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001495850952 1070825317 /nfs/dbraw/zinc/82/53/17/1070825317.db2.gz PHFOEDHTTFZABF-MSOLQXFVSA-N 0 0 477.635 1.542 20 0 JDADRN CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001495932791 1070828329 /nfs/dbraw/zinc/82/83/29/1070828329.db2.gz KOGZCXBLZZRKED-IBGZPJMESA-N 0 0 480.679 1.893 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 ZINC001502717489 1070825343 /nfs/dbraw/zinc/82/53/43/1070825343.db2.gz GFRUBULIHDNGGT-OSPHWJPCSA-N 0 0 485.589 1.739 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001502717503 1070825374 /nfs/dbraw/zinc/82/53/74/1070825374.db2.gz GLAHTSOZTISSSM-IBGZPJMESA-N 0 0 454.453 1.671 20 0 JDADRN COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@@H]2C)cc(OC)c1 ZINC001504085792 1070825450 /nfs/dbraw/zinc/82/54/50/1070825450.db2.gz CBCCRQQBRJEAPC-SFHVURJKSA-N 0 0 472.590 1.888 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(c4cccc(O)c4)CC3)n2CCC(=O)N(C)C)CCOC1 ZINC001502717644 1070825588 /nfs/dbraw/zinc/82/55/88/1070825588.db2.gz IUQUFBHPZLYOBD-QHCPKHFHSA-N 0 0 458.563 1.441 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001495851720 1070825529 /nfs/dbraw/zinc/82/55/29/1070825529.db2.gz VLHWWXHEXMAXPJ-DOTOQJQBSA-N 0 0 466.583 1.357 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001495851457 1070825620 /nfs/dbraw/zinc/82/56/20/1070825620.db2.gz SISUSHOMXWHZNB-INIZCTEOSA-N 0 0 492.650 1.390 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@]3(CNC(=O)C3)C2)cc(Cl)c1OC ZINC001504086145 1070825642 /nfs/dbraw/zinc/82/56/42/1070825642.db2.gz DCGAZKCAGQYKPU-QFIPXVFZSA-N 0 0 476.965 1.852 20 0 JDADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@]3(CCOC3)C2)cc(OC)c1OC ZINC001504086083 1070825654 /nfs/dbraw/zinc/82/56/54/1070825654.db2.gz AVRRPEACRBBIGM-QHCPKHFHSA-N 0 0 475.546 1.486 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCCNC(=O)C(C)C)CCOC1 ZINC001502717699 1070825689 /nfs/dbraw/zinc/82/56/89/1070825689.db2.gz JTQYLDSWPKCUTD-HSZRJFAPSA-N 0 0 474.610 1.153 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCc1ccc(OC)c(OC)c1 ZINC001495851646 1070825727 /nfs/dbraw/zinc/82/57/27/1070825727.db2.gz SVWZVWFPAVFHDD-AEFFLSMTSA-N 0 0 470.574 1.589 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)ccc1SC ZINC001504091306 1070828666 /nfs/dbraw/zinc/82/86/66/1070828666.db2.gz VMSVLLQNCKUVII-IRXDYDNUSA-N 0 0 482.628 1.963 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C)C(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)CCOC1 ZINC001502718064 1070825877 /nfs/dbraw/zinc/82/58/77/1070825877.db2.gz MRWGWUYAQMAIJP-LJQANCHMSA-N 0 0 484.483 1.130 20 0 JDADRN 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COc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)NC(C)C)cc1OC ZINC001504181694 1070866980 /nfs/dbraw/zinc/86/69/80/1070866980.db2.gz XXRYJUCJFAHMGA-UHFFFAOYSA-N 0 0 458.563 1.969 20 0 JDADRN CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)cc1OC ZINC001502845498 1070867139 /nfs/dbraw/zinc/86/71/39/1070867139.db2.gz UEOFXKRJVHUBOS-FFZOFVMBSA-N 0 0 480.587 1.486 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCc2cn[nH]c2)c(OC)c1 ZINC001504191689 1070872411 /nfs/dbraw/zinc/87/24/11/1070872411.db2.gz VBTRTMOHSYHXKS-QGZVFWFLSA-N 0 0 460.560 1.942 20 0 JDADRN CCOc1ccc2c(c1)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)CC)CC2 ZINC001502872992 1070871778 /nfs/dbraw/zinc/87/17/78/1070871778.db2.gz QVBLVCKFHBJXMS-DHMKHTPVSA-N 0 0 469.633 1.618 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2CCN2CCOC[C@@H]2C)c(OC)c1 ZINC001504181734 1070867083 /nfs/dbraw/zinc/86/70/83/1070867083.db2.gz FDCRIROZHNBXIT-KRWDZBQOSA-N 0 0 472.590 1.788 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCN2CCCS2(=O)=O)cc1 ZINC001504181666 1070867100 /nfs/dbraw/zinc/86/71/00/1070867100.db2.gz XJZWBYGGTAMECD-UHFFFAOYSA-N 0 0 476.603 1.471 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC001504190392 1070871773 /nfs/dbraw/zinc/87/17/73/1070871773.db2.gz HHVVBSASEBBETI-IRXDYDNUSA-N 0 0 477.587 1.502 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC001504190968 1070871788 /nfs/dbraw/zinc/87/17/88/1070871788.db2.gz JVSGPNCZNUEDKN-PKOBYXMFSA-N 0 0 491.614 1.892 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H]([C@H]4CCOC4)C3)n2CCS(=O)(=O)N(C)C)cc1OC ZINC001504182041 1070867250 /nfs/dbraw/zinc/86/72/50/1070867250.db2.gz IJTALHBLZJZGLC-MSOLQXFVSA-N 0 0 479.603 1.717 20 0 JDADRN CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)cc1 ZINC001502847497 1070867337 /nfs/dbraw/zinc/86/73/37/1070867337.db2.gz JYNFWSAOUMWJJL-IEBWSBKVSA-N 0 0 457.531 1.208 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2CCS(=O)(=O)N(C)C)cc1OC ZINC001504182047 1070867356 /nfs/dbraw/zinc/86/73/56/1070867356.db2.gz IJTALHBLZJZGLC-ZWKOTPCHSA-N 0 0 479.603 1.717 20 0 JDADRN CCOc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)c1 ZINC001502875493 1070872399 /nfs/dbraw/zinc/87/23/99/1070872399.db2.gz YGMUTMPYAYNXDT-NVXWUHKLSA-N 0 0 465.576 1.529 20 0 JDADRN CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)cc1 ZINC001502845963 1070867497 /nfs/dbraw/zinc/86/74/97/1070867497.db2.gz ZBUTXSGVPTUGBJ-SFHVURJKSA-N 0 0 453.565 1.141 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@]2(O)CCOC2)c(OC)c1 ZINC001504182774 1070867537 /nfs/dbraw/zinc/86/75/37/1070867537.db2.gz LEFCJFYFNFPYLY-DEOSSOPVSA-N 0 0 473.574 1.855 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc([C@]4(OCC)CCOC4)n3CC(=O)N(C)C)CC2)cc1 ZINC001502850825 1070867689 /nfs/dbraw/zinc/86/76/89/1070867689.db2.gz HWWFMAQIWAANBX-VWLOTQADSA-N 0 0 486.617 1.739 20 0 JDADRN CCOc1ccc(Cn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 ZINC001502849598 1070867717 /nfs/dbraw/zinc/86/77/17/1070867717.db2.gz XXHAOLUFOGCZJD-RUZDIDTESA-N 0 0 486.617 1.587 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](F)COC)CC2)cc1 ZINC001502850816 1070867790 /nfs/dbraw/zinc/86/77/90/1070867790.db2.gz HQPICMONNVDEPT-QUCCMNQESA-N 0 0 460.554 1.935 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCC(=O)N2CCOCC2)cc1OC ZINC001504183330 1070867890 /nfs/dbraw/zinc/86/78/90/1070867890.db2.gz AKSNFEDROHZHNS-UHFFFAOYSA-N 0 0 459.547 1.420 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC2(O)CC2)c(OC)c1 ZINC001504183493 1070867947 /nfs/dbraw/zinc/86/79/47/1070867947.db2.gz BEPKZNGTLGBAFV-UHFFFAOYSA-N 0 0 465.576 1.253 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)NC)CC2)cc1 ZINC001502850947 1070867908 /nfs/dbraw/zinc/86/79/08/1070867908.db2.gz JUVSWTFTWCCZTB-LJQANCHMSA-N 0 0 478.619 1.052 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)N(C)C)CC2)cc1 ZINC001502850908 1070867929 /nfs/dbraw/zinc/86/79/29/1070867929.db2.gz JIABWWPBQXIAQK-LJQANCHMSA-N 0 0 455.563 1.038 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(=O)N(C)C)CC2)cc1 ZINC001502851091 1070867983 /nfs/dbraw/zinc/86/79/83/1070867983.db2.gz MSYGPITWCCZTLU-OAQYLSRUSA-N 0 0 483.617 1.819 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2CC2([S@](C)=O)CC2)c(OC)c1 ZINC001504183781 1070868265 /nfs/dbraw/zinc/86/82/65/1070868265.db2.gz RXDVWASLTMGETR-YTTGMZPUSA-N 0 0 461.588 1.978 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)cc1 ZINC001502852821 1070868316 /nfs/dbraw/zinc/86/83/16/1070868316.db2.gz DVIAZEVRRRVFMH-IRXDYDNUSA-N 0 0 479.603 1.918 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(=O)N(C)C)cc1Br ZINC001504184299 1070868444 /nfs/dbraw/zinc/86/84/44/1070868444.db2.gz FWJVNGHFONASPI-FQEVSTJZSA-N 0 0 477.363 1.521 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2(S(C)(=O)=O)CC2)cc1 ZINC001504184223 1070868528 /nfs/dbraw/zinc/86/85/28/1070868528.db2.gz FFYUKHDNJVWZOR-UHFFFAOYSA-N 0 0 468.601 1.544 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ncn(C)n2)cc1 ZINC001502854181 1070868533 /nfs/dbraw/zinc/86/85/33/1070868533.db2.gz ZXLQEDHYJVWVOU-JKSUJKDBSA-N 0 0 454.535 1.661 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001502855564 1070868622 /nfs/dbraw/zinc/86/86/22/1070868622.db2.gz CKENJQAYYWVVNK-CVEARBPZSA-N 0 0 458.563 1.901 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001502855566 1070868628 /nfs/dbraw/zinc/86/86/28/1070868628.db2.gz CKENJQAYYWVVNK-HZPDHXFCSA-N 0 0 458.563 1.901 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2CCS(=O)(=O)NC)cc1 ZINC001502856549 1070868663 /nfs/dbraw/zinc/86/86/63/1070868663.db2.gz MCYYNMXEFGSIDY-GPMSIDNRSA-N 0 0 492.602 1.081 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ncn(C)n2)cc1 ZINC001502854179 1070868691 /nfs/dbraw/zinc/86/86/91/1070868691.db2.gz ZXLQEDHYJVWVOU-HOTGVXAUSA-N 0 0 454.535 1.661 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCCS(C)(=O)=O)c(OC)c1 ZINC001504184825 1070868706 /nfs/dbraw/zinc/86/87/06/1070868706.db2.gz RVTWVJHHYHXWQD-INIZCTEOSA-N 0 0 477.587 1.598 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1OC ZINC001504184818 1070868740 /nfs/dbraw/zinc/86/87/40/1070868740.db2.gz YWDPLPRFGKZYQW-FUHWJXTLSA-N 0 0 473.574 1.984 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 ZINC001502856837 1070868825 /nfs/dbraw/zinc/86/88/25/1070868825.db2.gz NMQPBPQZNRKXCY-ZGNKEGEESA-N 0 0 459.547 1.670 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 ZINC001502856835 1070868942 /nfs/dbraw/zinc/86/89/42/1070868942.db2.gz NMQPBPQZNRKXCY-UZFJHSOTSA-N 0 0 459.547 1.670 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001504184961 1070868938 /nfs/dbraw/zinc/86/89/38/1070868938.db2.gz SSASOCXUGRKOMV-UHFFFAOYSA-N 0 0 462.501 1.830 20 0 JDADRN CCOc1ccc2c(c1)CN(c1nnc(Cc3ccncc3)n1CCS(=O)(=O)NC)CC2 ZINC001502874147 1070872027 /nfs/dbraw/zinc/87/20/27/1070872027.db2.gz GIRQQOVVNSRPGF-UHFFFAOYSA-N 0 0 456.572 1.775 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC(=O)N(C)C)c(OC)c1 ZINC001504184933 1070869036 /nfs/dbraw/zinc/86/90/36/1070869036.db2.gz SLFUGEPKITZHKL-UHFFFAOYSA-N 0 0 458.563 1.792 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 ZINC001504185038 1070869062 /nfs/dbraw/zinc/86/90/62/1070869062.db2.gz JTYXUWMSADFQJK-LJQANCHMSA-N 0 0 491.614 1.890 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC001504185079 1070869112 /nfs/dbraw/zinc/86/91/12/1070869112.db2.gz KDWAZBBTJMGVQE-HOCLYGCPSA-N 0 0 484.600 1.020 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2COCCO2)cc1 ZINC001502862245 1070869242 /nfs/dbraw/zinc/86/92/42/1070869242.db2.gz FOIQLOAFBHZLGM-AHRSYUTCSA-N 0 0 480.587 1.856 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCOCCS(C)(=O)=O)cc1OC ZINC001504185379 1070869272 /nfs/dbraw/zinc/86/92/72/1070869272.db2.gz VJCSKGPUCQIEGX-UHFFFAOYSA-N 0 0 460.503 1.869 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCC(=O)N(C)C)cc1OC ZINC001504185193 1070869282 /nfs/dbraw/zinc/86/92/82/1070869282.db2.gz LFUJKSDDOLYIGC-HSZRJFAPSA-N 0 0 456.547 1.690 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2cnnn2C)cc1 ZINC001502857784 1070869281 /nfs/dbraw/zinc/86/92/81/1070869281.db2.gz YLYCJPSOVKAVNL-OYHNWAKOSA-N 0 0 454.535 1.695 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2CCCS(C)(=O)=O)c(OC)c1 ZINC001504185580 1070869372 /nfs/dbraw/zinc/86/93/72/1070869372.db2.gz XXJMETCGBSUUGN-UHFFFAOYSA-N 0 0 465.576 1.502 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001504191482 1070872032 /nfs/dbraw/zinc/87/20/32/1070872032.db2.gz LWEOTCMTUWAXCM-HTAPYJJXSA-N 0 0 495.671 1.930 20 0 JDADRN CCOc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC001502874115 1070872048 /nfs/dbraw/zinc/87/20/48/1070872048.db2.gz FPMZKPWOLJUYFM-LPHOPBHVSA-N 0 0 499.659 1.543 20 0 JDADRN CCOc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)c1 ZINC001502874224 1070872059 /nfs/dbraw/zinc/87/20/59/1070872059.db2.gz IJKMQSCRAKSTRL-IRXDYDNUSA-N 0 0 494.618 1.807 20 0 JDADRN CCOc1ccc2c(c1)CN(c1nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n1C[C@](C)(O)CC)CC2 ZINC001502874230 1070872092 /nfs/dbraw/zinc/87/20/92/1070872092.db2.gz ILXZFLWEBSOJGE-NZQKXSOJSA-N 0 0 493.630 1.733 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCNS(C)(=O)=O)cc1 ZINC001502862325 1070869399 /nfs/dbraw/zinc/86/93/99/1070869399.db2.gz GYIDBNGTZYGTRQ-AOMKIAJQSA-N 0 0 492.602 1.225 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCNS(C)(=O)=O)cc1 ZINC001502862327 1070869558 /nfs/dbraw/zinc/86/95/58/1070869558.db2.gz GYIDBNGTZYGTRQ-OPAMFIHVSA-N 0 0 492.602 1.225 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001504191483 1070872090 /nfs/dbraw/zinc/87/20/90/1070872090.db2.gz LWEOTCMTUWAXCM-JTSKRJEESA-N 0 0 495.671 1.930 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c(OC)c1 ZINC001504185946 1070869643 /nfs/dbraw/zinc/86/96/43/1070869643.db2.gz QDVHLZOCAHSYEJ-BBWFWOEESA-N 0 0 466.560 1.126 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001502865572 1070869694 /nfs/dbraw/zinc/86/96/94/1070869694.db2.gz MJLCJFXVHHRWEF-VGOFRKELSA-N 0 0 480.587 1.593 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)=O)CC3)n2CCC(=O)N(C)C)cc1 ZINC001502865151 1070869699 /nfs/dbraw/zinc/86/96/99/1070869699.db2.gz GISZEJMAFJVYNE-QGZVFWFLSA-N 0 0 458.563 1.964 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2(O)CCOCC2)c(OC)c1 ZINC001504185788 1070869744 /nfs/dbraw/zinc/86/97/44/1070869744.db2.gz NZGQRUWHKASHSK-MRXNPFEDSA-N 0 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IYGBHWODPAARMI-UHFFFAOYSA-N 0 0 482.628 1.790 20 0 JDADRN COC[C@@H](F)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001504614978 1071475875 /nfs/dbraw/zinc/47/58/75/1071475875.db2.gz OXJJCDFNYHTAPC-ZWKOTPCHSA-N 0 0 486.552 1.990 20 0 JDADRN COC[C@@H](F)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001504614977 1071476060 /nfs/dbraw/zinc/47/60/60/1071476060.db2.gz OXJJCDFNYHTAPC-ROUUACIJSA-N 0 0 486.552 1.990 20 0 JDADRN COC[C@@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001504614869 1071476076 /nfs/dbraw/zinc/47/60/76/1071476076.db2.gz VMAMVWCYSSWESW-QPSCCSFWSA-N 0 0 467.464 1.491 20 0 JDADRN CCS(=O)(=O)NCCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)C1 ZINC001503286661 1071476168 /nfs/dbraw/zinc/47/61/68/1071476168.db2.gz JBOAYVOQBDPRQO-UHFFFAOYSA-N 0 0 451.593 1.626 20 0 JDADRN CCS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001503286879 1071476736 /nfs/dbraw/zinc/47/67/36/1071476736.db2.gz KRLYNWWVQHGLMA-GOSISDBHSA-N 0 0 454.641 1.691 20 0 JDADRN COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)CCCC1 ZINC001504622491 1071480709 /nfs/dbraw/zinc/48/07/09/1071480709.db2.gz POGDOVPOXQQLLL-KURKYZTESA-N 0 0 482.651 1.448 20 0 JDADRN COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001504615743 1071477417 /nfs/dbraw/zinc/47/74/17/1071477417.db2.gz XFARFKKZCQUBIG-UGKGYDQZSA-N 0 0 467.549 1.597 20 0 JDADRN COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001504615737 1071477612 /nfs/dbraw/zinc/47/76/12/1071477612.db2.gz XFARFKKZCQUBIG-DENIHFKCSA-N 0 0 467.549 1.597 20 0 JDADRN COC[C@H](F)Cn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001504616268 1071477730 /nfs/dbraw/zinc/47/77/30/1071477730.db2.gz ZYUXJMYMFGDJEW-CQSZACIVSA-N 0 0 459.519 1.499 20 0 JDADRN COCC1(C)CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001504617350 1071478212 /nfs/dbraw/zinc/47/82/12/1071478212.db2.gz AOYWYMOBAGVYGA-INIZCTEOSA-N 0 0 468.580 1.143 20 0 JDADRN COCC1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCO2)CC1 ZINC001504617723 1071478295 /nfs/dbraw/zinc/47/82/95/1071478295.db2.gz DCOQTIHSRXLOIL-MSOLQXFVSA-N 0 0 469.608 1.209 20 0 JDADRN CCS(=O)(=O)NCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001503287161 1071479097 /nfs/dbraw/zinc/47/90/97/1071479097.db2.gz RTBWAXWNPCYOKD-UHFFFAOYSA-N 0 0 490.630 1.554 20 0 JDADRN COCC1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)CC1 ZINC001504618700 1071479165 /nfs/dbraw/zinc/47/91/65/1071479165.db2.gz LRIXOBSNZZPUNJ-SFHVURJKSA-N 0 0 482.582 1.446 20 0 JDADRN COCC1(C)CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001504619476 1071479323 /nfs/dbraw/zinc/47/93/23/1071479323.db2.gz SKQKJLRTISILAA-SFHVURJKSA-N 0 0 482.607 1.880 20 0 JDADRN CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001503287236 1071479658 /nfs/dbraw/zinc/47/96/58/1071479658.db2.gz UNEWOWAKMZBPTC-UHFFFAOYSA-N 0 0 487.630 1.959 20 0 JDADRN CC[S@](=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001503287310 1071479673 /nfs/dbraw/zinc/47/96/73/1071479673.db2.gz CYJBOAHEOSTGGZ-WHUARKNTSA-N 0 0 460.604 1.437 20 0 JDADRN CCS(=O)(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001503287206 1071479743 /nfs/dbraw/zinc/47/97/43/1071479743.db2.gz STYZADNVXZNZMT-YCRNBWNJSA-N 0 0 493.630 1.878 20 0 JDADRN CCS(=O)(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001503287208 1071479800 /nfs/dbraw/zinc/47/98/00/1071479800.db2.gz STYZADNVXZNZMT-YYDVJCTNSA-N 0 0 493.630 1.878 20 0 JDADRN COCC1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001504619845 1071479756 /nfs/dbraw/zinc/47/97/56/1071479756.db2.gz XMDNRXVMDRBSDS-GOSISDBHSA-N 0 0 496.655 1.907 20 0 JDADRN COCC1(CCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CCCC1 ZINC001504620545 1071480026 /nfs/dbraw/zinc/48/00/26/1071480026.db2.gz FXWVLKSJKWHTNU-QGZVFWFLSA-N 0 0 455.625 1.980 20 0 JDADRN COCC1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001504614330 1071475202 /nfs/dbraw/zinc/47/52/02/1071475202.db2.gz OLFNTPMVDXWQPU-ROUUACIJSA-N 0 0 495.650 1.542 20 0 JDADRN CCS(=O)(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001503287575 1071481276 /nfs/dbraw/zinc/48/12/76/1071481276.db2.gz XJQWPRZXKCCNIN-MJGOQNOKSA-N 0 0 451.593 1.966 20 0 JDADRN COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)OC)CC2)CCCC1 ZINC001504622682 1071481232 /nfs/dbraw/zinc/48/12/32/1071481232.db2.gz RIWQSVABQPADSF-INIZCTEOSA-N 0 0 471.624 1.875 20 0 JDADRN COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@](C)(c3cnn(C)c3)C2)CCC1 ZINC001504622996 1071481484 /nfs/dbraw/zinc/48/14/84/1071481484.db2.gz XLIDLKKLNWDRMU-DYESRHJHSA-N 0 0 495.650 1.581 20 0 JDADRN CCS(=O)(=O)NCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001503287521 1071481441 /nfs/dbraw/zinc/48/14/41/1071481441.db2.gz WTOGPRMKQFHVFP-UHFFFAOYSA-N 0 0 465.576 1.494 20 0 JDADRN CCS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1 ZINC001503287509 1071481495 /nfs/dbraw/zinc/48/14/95/1071481495.db2.gz WJOSZOJCCARVDX-UHFFFAOYSA-N 0 0 454.622 1.979 20 0 JDADRN COCC1(CCn2c([C@@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC001504623888 1071482081 /nfs/dbraw/zinc/48/20/81/1071482081.db2.gz IPGFJOARKJOMED-GOSISDBHSA-N 0 0 455.625 1.851 20 0 JDADRN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001503287635 1071482115 /nfs/dbraw/zinc/48/21/15/1071482115.db2.gz YIROEQUZBALOMS-CQSZACIVSA-N 0 0 470.546 1.815 20 0 JDADRN CC[S@@](=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 ZINC001503287881 1071483027 /nfs/dbraw/zinc/48/30/27/1071483027.db2.gz DULYKPSCFOIJHE-INCQDFKNSA-N 0 0 454.622 1.540 20 0 JDADRN COCC1(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCCC1 ZINC001504624266 1071483017 /nfs/dbraw/zinc/48/30/17/1071483017.db2.gz POLGYUQLIWDXPE-MSOLQXFVSA-N 0 0 482.651 1.592 20 0 JDADRN COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCC1 ZINC001504624697 1071483047 /nfs/dbraw/zinc/48/30/47/1071483047.db2.gz BKUQRAXHVSKNMG-UHFFFAOYSA-N 0 0 485.589 1.775 20 0 JDADRN COCC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)CCCC1 ZINC001504624008 1071483073 /nfs/dbraw/zinc/48/30/73/1071483073.db2.gz JZIIIYJADXTVFL-KRWDZBQOSA-N 0 0 471.624 1.433 20 0 JDADRN COCC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001504624725 1071483099 /nfs/dbraw/zinc/48/30/99/1071483099.db2.gz USFUPTPDMFGHBZ-CEXWTWQISA-N 0 0 485.651 1.822 20 0 JDADRN COCC1(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCCC1 ZINC001504624267 1071483119 /nfs/dbraw/zinc/48/31/19/1071483119.db2.gz POLGYUQLIWDXPE-QZTJIDSGSA-N 0 0 482.651 1.592 20 0 JDADRN COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CCOCC1 ZINC001504624750 1071483774 /nfs/dbraw/zinc/48/37/74/1071483774.db2.gz CHNRINANDVBWFH-MRXNPFEDSA-N 0 0 457.535 1.036 20 0 JDADRN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 ZINC001503287968 1071483705 /nfs/dbraw/zinc/48/37/05/1071483705.db2.gz GHDFYRJBRPTAGR-FOGNVHKLSA-N 0 0 472.612 1.123 20 0 JDADRN COCC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001504624729 1071483813 /nfs/dbraw/zinc/48/38/13/1071483813.db2.gz USFUPTPDMFGHBZ-OTWHNJEPSA-N 0 0 485.651 1.822 20 0 JDADRN COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)CCCC1 ZINC001504624819 1071483873 /nfs/dbraw/zinc/48/38/73/1071483873.db2.gz VIPIJMAQBRJXKR-KRWDZBQOSA-N 0 0 483.635 1.248 20 0 JDADRN CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503288368 1071484496 /nfs/dbraw/zinc/48/44/96/1071484496.db2.gz JCLKNVWYOKHIHV-SRGMZFCMSA-N 0 0 478.438 1.438 20 0 JDADRN COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3)C(=O)C2)CCOCC1 ZINC001504626560 1071484569 /nfs/dbraw/zinc/48/45/69/1071484569.db2.gz VGOUGOOVKXXVTO-UHFFFAOYSA-N 0 0 488.564 1.852 20 0 JDADRN COCC1(CCn2c(CN3CCCC3=O)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001504625699 1071484592 /nfs/dbraw/zinc/48/45/92/1071484592.db2.gz NNJOCFSRGNZKIL-UHFFFAOYSA-N 0 0 482.651 1.468 20 0 JDADRN COCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)CCOCC1 ZINC001504625451 1071484672 /nfs/dbraw/zinc/48/46/72/1071484672.db2.gz IWSZAUTZZFBXIZ-UHFFFAOYSA-N 0 0 478.638 1.504 20 0 JDADRN CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503288370 1071484664 /nfs/dbraw/zinc/48/46/64/1071484664.db2.gz JCLKNVWYOKHIHV-ZBSNKRKSSA-N 0 0 478.438 1.438 20 0 JDADRN CC[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001503288472 1071484811 /nfs/dbraw/zinc/48/48/11/1071484811.db2.gz JKXUBAUMLHPFTH-ULKXQASOSA-N 0 0 472.546 1.931 20 0 JDADRN COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cnn(C)c3)C2)CCC1 ZINC001504626899 1071485228 /nfs/dbraw/zinc/48/52/28/1071485228.db2.gz BHZNMXAJULOXQJ-CVEARBPZSA-N 0 0 451.597 1.432 20 0 JDADRN COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccn3)CC2)CCC1 ZINC001504626874 1071485303 /nfs/dbraw/zinc/48/53/03/1071485303.db2.gz AJKPWFNTKHBABB-QGZVFWFLSA-N 0 0 463.608 1.427 20 0 JDADRN COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC001504626984 1071485322 /nfs/dbraw/zinc/48/53/22/1071485322.db2.gz CVIDOFSOEXZMHM-INIZCTEOSA-N 0 0 486.639 1.762 20 0 JDADRN COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](N3CCCC3=O)C2)CCCCC1 ZINC001504626918 1071485360 /nfs/dbraw/zinc/48/53/60/1071485360.db2.gz BXARKUKHXUNSSY-ZWKOTPCHSA-N 0 0 482.651 1.686 20 0 JDADRN CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001503288531 1071485341 /nfs/dbraw/zinc/48/53/41/1071485341.db2.gz KNMTVKCONHDFDO-KXSVPLAASA-N 0 0 480.639 1.575 20 0 JDADRN CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001503288506 1071485425 /nfs/dbraw/zinc/48/54/25/1071485425.db2.gz JXPBXPHRKKMVTO-XIFFEERXSA-N 0 0 478.619 1.794 20 0 JDADRN CC[S@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001503288782 1071485453 /nfs/dbraw/zinc/48/54/53/1071485453.db2.gz MUOCICCCBSTYLC-MHZLTWQESA-N 0 0 455.382 1.615 20 0 JDADRN 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1072446654 /nfs/dbraw/zinc/44/66/54/1072446654.db2.gz KVBDYTWRPQSBJF-SJORKVTESA-N 0 0 464.567 1.262 20 0 JDADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C)CCN1C(=O)OC(C)(C)C ZINC001505277043 1072446720 /nfs/dbraw/zinc/44/67/20/1072446720.db2.gz VYSDEKPPXDOYFV-OAHLLOKOSA-N 0 0 491.618 1.803 20 0 JDADRN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccncc2)n1CCCS(C)(=O)=O ZINC001505277369 1072447459 /nfs/dbraw/zinc/44/74/59/1072447459.db2.gz ADVNOVWLZWYKGF-GOSISDBHSA-N 0 0 462.620 1.388 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C(F)(F)F ZINC001505277608 1072447478 /nfs/dbraw/zinc/44/74/78/1072447478.db2.gz GXSNVWJPWYLLPN-MGPQQGTHSA-N 0 0 452.499 1.704 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2(C)C)C[C@@H]1F ZINC001505278813 1072449246 /nfs/dbraw/zinc/44/92/46/1072449246.db2.gz PZHIARXCCIXJCY-WCVJEAGWSA-N 0 0 461.629 1.937 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F ZINC001505278785 1072449253 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1072449944 /nfs/dbraw/zinc/44/99/44/1072449944.db2.gz BOIKLLHIYKCKDY-PMPSAXMXSA-N 0 0 461.567 1.142 20 0 JDADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001505279069 1072449993 /nfs/dbraw/zinc/44/99/93/1072449993.db2.gz CYYGOCJYSYEQBL-NVXWUHKLSA-N 0 0 469.546 1.005 20 0 JDADRN C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC001505279387 1072450454 /nfs/dbraw/zinc/45/04/54/1072450454.db2.gz AIAJVXPWRULAAS-IKGGRYGDSA-N 0 0 486.639 1.461 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001505279541 1072450537 /nfs/dbraw/zinc/45/05/37/1072450537.db2.gz XBIHDKSPFJKCEP-KBUPBQIOSA-N 0 0 451.515 1.841 20 0 JDADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001505279897 1072451033 /nfs/dbraw/zinc/45/10/33/1072451033.db2.gz GNVDYJJJVQRBMB-SJLPKXTDSA-N 0 0 470.578 1.733 20 0 JDADRN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001505280024 1072451077 /nfs/dbraw/zinc/45/10/77/1072451077.db2.gz ONHSCBMFDILACG-CVEARBPZSA-N 0 0 499.576 1.395 20 0 JDADRN C[C@]12C[C@H](CN1c1nnc(CNC(=O)c3cccs3)n1CCNS(C)(=O)=O)CCC2 ZINC001505279962 1072451207 /nfs/dbraw/zinc/45/12/07/1072451207.db2.gz MAFDEEHZRBPVSE-KUHUBIRLSA-N 0 0 452.606 1.588 20 0 JDADRN C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)NC(=O)OC(C)(C)C ZINC001505280217 1072451633 /nfs/dbraw/zinc/45/16/33/1072451633.db2.gz KTKYEHRSMYSIHX-ZJPYXAASSA-N 0 0 498.650 1.903 20 0 JDADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001505280553 1072451646 /nfs/dbraw/zinc/45/16/46/1072451646.db2.gz LPIKWGWJEIFMTD-OAHLLOKOSA-N 0 0 467.596 1.163 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNS(C)(=O)=O)C[C@H](C)C1(F)F ZINC001505280215 1072451709 /nfs/dbraw/zinc/45/17/09/1072451709.db2.gz OODDWIBIROACTE-OKILXGFUSA-N 0 0 491.586 1.625 20 0 JDADRN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001505280149 1072451734 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CC(C)(C)OC(=O)NCC(C)(C)NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001474936579 1069309563 /nfs/dbraw/zinc/30/95/63/1069309563.db2.gz KTYJESLHDCUXMQ-AWEZNQCLSA-N 0 0 451.586 1.845 20 0 JDADRN CCOCCN1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 ZINC001474936548 1069309665 /nfs/dbraw/zinc/30/96/65/1069309665.db2.gz XNJLWWWEJYQHRR-UXHICEINSA-N 0 0 455.577 1.006 20 0 JDADRN COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC001474936879 1069309719 /nfs/dbraw/zinc/30/97/19/1069309719.db2.gz SMRYFOPEGDFJGI-UHFFFAOYSA-N 0 0 457.936 1.393 20 0 JDADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1C ZINC000003431092 562927092 /nfs/dbraw/zinc/92/70/92/562927092.db2.gz FEOZCMSQTUISDX-UHFFFAOYSA-N 0 0 455.536 1.823 20 0 JDADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003454268 562927161 /nfs/dbraw/zinc/92/71/61/562927161.db2.gz MJDKNVAELYOPCY-UHFFFAOYSA-N 0 0 489.550 1.580 20 0 JDADRN O=S(=O)(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013831706 562999403 /nfs/dbraw/zinc/99/94/03/562999403.db2.gz OHQRWSXUISHEHH-UHFFFAOYSA-N 0 0 458.945 1.806 20 0 JDADRN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000036380420 563127612 /nfs/dbraw/zinc/12/76/12/563127612.db2.gz JPOSZEKFNLCUKY-UHFFFAOYSA-N 0 0 474.507 1.821 20 0 JDADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 ZINC000036382561 563128149 /nfs/dbraw/zinc/12/81/49/563128149.db2.gz GUCRKBQATRNQBX-UHFFFAOYSA-N 0 0 459.496 1.618 20 0 JDADRN CC(C)c1noc(CCNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)n1 ZINC001474936486 1069309902 /nfs/dbraw/zinc/30/99/02/1069309902.db2.gz ILJNOXTYNUZZAQ-UHFFFAOYSA-N 0 0 452.352 1.880 20 0 JDADRN COC(=O)[C@@]1(C)CCCN1c1nc2cc(CN3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164389221 718805506 /nfs/dbraw/zinc/80/55/06/718805506.db2.gz HLCKXIAOKKJIOY-HSZRJFAPSA-N 0 0 474.631 1.807 20 0 JDADRN CN1CCN(Cc2cc3nc(N4CCC5(CC(=O)CO5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164390789 718827735 /nfs/dbraw/zinc/82/77/35/718827735.db2.gz QZOWEARJFSYMDH-UHFFFAOYSA-N 0 0 486.642 1.604 20 0 JDADRN Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164403446 718839819 /nfs/dbraw/zinc/83/98/19/718839819.db2.gz JCWZCDTYPWBLKI-KRWDZBQOSA-N 0 0 456.547 1.972 20 0 JDADRN Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164403447 718839957 /nfs/dbraw/zinc/83/99/57/718839957.db2.gz JCWZCDTYPWBLKI-QGZVFWFLSA-N 0 0 456.547 1.972 20 0 JDADRN CN1CCN(Cc2cc3nc(N4CC5(C4)CCCOC5)nc(N4CCOCC4)c3s2)CC1 ZINC001164414363 718883039 /nfs/dbraw/zinc/88/30/39/718883039.db2.gz SCUCLMZPEPRCBN-UHFFFAOYSA-N 0 0 458.632 1.892 20 0 JDADRN CN1CCN(Cc2cc3nc(N4C[C@@H]5OCC(F)(F)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164423544 718927073 /nfs/dbraw/zinc/92/70/73/718927073.db2.gz INMPDQOIZJTAKM-WMZOPIPTSA-N 0 0 480.585 1.746 20 0 JDADRN CN1CCN(Cc2cc3nc(N4C[C@@H]5OCC(F)(F)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164423541 718927425 /nfs/dbraw/zinc/92/74/25/718927425.db2.gz INMPDQOIZJTAKM-AEFFLSMTSA-N 0 0 480.585 1.746 20 0 JDADRN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC4(CC3)COCC(=O)N4)c2c1C ZINC001164422692 718934405 /nfs/dbraw/zinc/93/44/05/718934405.db2.gz BIEKGVUMAVWLFW-UHFFFAOYSA-N 0 0 489.598 1.494 20 0 JDADRN Cc1cccc(CN2C(=O)COC3(CCN(c4ccnc(N5CCN(C)CC5)n4)CC3)[C@H]2C)n1 ZINC001164427136 718952006 /nfs/dbraw/zinc/95/20/06/718952006.db2.gz BGGFKKRJZHSGAC-HXUWFJFHSA-N 0 0 465.602 1.718 20 0 JDADRN Cc1ncc2n1CCN(c1nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164439548 718990732 /nfs/dbraw/zinc/99/07/32/718990732.db2.gz DYSVYYLALBHLMK-UHFFFAOYSA-N 0 0 468.631 1.800 20 0 JDADRN CCOC(=O)c1nc2n(n1)CCN(c1ncccc1C(=O)N1CCN(Cc3ccccc3)CC1)C2 ZINC001164615565 719005085 /nfs/dbraw/zinc/00/50/85/719005085.db2.gz HNGYIGLWCGZIOE-UHFFFAOYSA-N 0 0 475.553 1.828 20 0 JDADRN CCOC(=O)c1nc2n(n1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164615530 719006109 /nfs/dbraw/zinc/00/61/09/719006109.db2.gz HEUGYWDPHYPJOR-UHFFFAOYSA-N 0 0 469.571 1.801 20 0 JDADRN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2ccnc(N4CCN(C)CC4)n2)C3)nn1 ZINC001164642936 719266325 /nfs/dbraw/zinc/26/63/25/719266325.db2.gz ZWUGDGYHLQLUNN-WMZHIEFXSA-N 0 0 454.579 1.051 20 0 JDADRN CCOC(=O)c1sc2ncnc(N3CCC4(CC3)C(=O)N(CCOC)CCN4C)c2c1C ZINC001164641073 719267526 /nfs/dbraw/zinc/26/75/26/719267526.db2.gz UWOLFSAKFVTHSN-UHFFFAOYSA-N 0 0 461.588 1.936 20 0 JDADRN CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)C(=O)N(CCOC)CCN3C)nc1Cl ZINC001164635047 719268768 /nfs/dbraw/zinc/26/87/68/719268768.db2.gz HPSNBEMOZGAVKK-UHFFFAOYSA-N 0 0 475.924 1.611 20 0 JDADRN COCCN1CCN(C)C2(CCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC2)C1=O ZINC001164636949 719273260 /nfs/dbraw/zinc/27/32/60/719273260.db2.gz ZIEZOYGBSMPHLE-UHFFFAOYSA-N 0 0 452.559 1.122 20 0 JDADRN COCCN1CCN(C)C2(CCN(c3nc(C(=O)OC)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164640810 719278339 /nfs/dbraw/zinc/27/83/39/719278339.db2.gz PPBQSOFXBAPCIG-UHFFFAOYSA-N 0 0 475.590 1.612 20 0 JDADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3cc(C(=O)OC)cnc3Cl)CC2)C1=O ZINC001164641122 719279175 /nfs/dbraw/zinc/27/91/75/719279175.db2.gz SHMWICGGTZAESQ-UHFFFAOYSA-N 0 0 460.909 1.826 20 0 JDADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3cc(Cl)ncc3C(=O)OC)CC2)C1=O ZINC001164639147 719279598 /nfs/dbraw/zinc/27/95/98/719279598.db2.gz IIFIPVQIMJVWAQ-UHFFFAOYSA-N 0 0 460.909 1.826 20 0 JDADRN COCCN1CCN(C)C2(CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)C1=O ZINC001164644476 719280543 /nfs/dbraw/zinc/28/05/43/719280543.db2.gz LCKDVIHZBDFZEN-UHFFFAOYSA-N 0 0 465.620 1.016 20 0 JDADRN COCCN1CCN(C)C2(CCN(c3cc(C)nc(NC(=O)c4ccccc4)n3)CC2)C1=O ZINC001164644540 719283098 /nfs/dbraw/zinc/28/30/98/719283098.db2.gz NOSHFLTYDFSQEZ-UHFFFAOYSA-N 0 0 452.559 1.797 20 0 JDADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)CC2)C1=O ZINC001164644045 719285387 /nfs/dbraw/zinc/28/53/87/719285387.db2.gz ABEBWGALNABCNI-UHFFFAOYSA-N 0 0 480.965 1.443 20 0 JDADRN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@@H]2CN([C@@H](F)Oc3ccnc(Cl)c3)C[C@H]21 ZINC001164655747 719296127 /nfs/dbraw/zinc/29/61/27/719296127.db2.gz VRHBHVLNQDZHNT-IIDMSEBBSA-N 0 0 469.926 1.390 20 0 JDADRN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(C(F)(F)c3ccnc(Cl)c3)C[C@H]21 ZINC001164654893 719296131 /nfs/dbraw/zinc/29/61/31/719296131.db2.gz SEVBIRFSBCQEOG-LSDHHAIUSA-N 0 0 471.917 1.807 20 0 JDADRN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3)C[C@H]21 ZINC001164654891 719296153 /nfs/dbraw/zinc/29/61/53/719296153.db2.gz SEVBIRFSBCQEOG-HUUCEWRRSA-N 0 0 471.917 1.807 20 0 JDADRN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164649892 719296410 /nfs/dbraw/zinc/29/64/10/719296410.db2.gz IAWJBPOPXZODBE-VQTJNVASSA-N 0 0 470.599 1.205 20 0 JDADRN CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164653569 719313492 /nfs/dbraw/zinc/31/34/92/719313492.db2.gz WBVKKPKMNVHSBQ-UHFFFAOYSA-N 0 0 457.579 1.892 20 0 JDADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)c1 ZINC001164653319 719325386 /nfs/dbraw/zinc/32/53/86/719325386.db2.gz HEXWASTUUKREJE-MJEQTWJJSA-N 0 0 478.949 1.827 20 0 JDADRN C[N@@H+]1CCO[C@@H]2CN(c3nc4cc5c(cc4nc3[N-]S(=O)(=O)c3ccccc3)OCCO5)C[C@H]21 ZINC001164671448 719437397 /nfs/dbraw/zinc/43/73/97/719437397.db2.gz PIWFORMVUCOCTF-WIYYLYMNSA-N 0 0 483.550 1.721 20 0 JDADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)cnc1Cl ZINC001164677938 719555866 /nfs/dbraw/zinc/55/58/66/719555866.db2.gz STRLLNZOXVIKMQ-AWEZNQCLSA-N 0 0 481.949 1.964 20 0 JDADRN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164680866 719583307 /nfs/dbraw/zinc/58/33/07/719583307.db2.gz RHRVPVKGKGXNRN-UHFFFAOYSA-N 0 0 450.547 1.460 20 0 JDADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164688627 719590535 /nfs/dbraw/zinc/59/05/35/719590535.db2.gz YPXLBCPRZBBEBU-UHFFFAOYSA-N 0 0 457.869 1.816 20 0 JDADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001164691086 719770839 /nfs/dbraw/zinc/77/08/39/719770839.db2.gz LBKRPZKDLHTOND-LSDHHAIUSA-N 0 0 457.890 1.702 20 0 JDADRN O=C(c1cccnc1N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164690895 719800138 /nfs/dbraw/zinc/80/01/38/719800138.db2.gz BZODUQKGJHLPHN-ZEQRLZLVSA-N 0 0 485.592 1.924 20 0 JDADRN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164694484 719800486 /nfs/dbraw/zinc/80/04/86/719800486.db2.gz ZDRCCIAHVRXTQO-HOIFWPIMSA-N 0 0 488.955 1.877 20 0 JDADRN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001164694492 719800628 /nfs/dbraw/zinc/80/06/28/719800628.db2.gz ZDRCCIAHVRXTQO-JLHGSKIFSA-N 0 0 488.955 1.877 20 0 JDADRN c1cnc(N2CCO[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]32)nc1 ZINC001164691493 719800857 /nfs/dbraw/zinc/80/08/57/719800857.db2.gz IGGZKOWDQQGNER-QZTJIDSGSA-N 0 0 479.610 1.896 20 0 JDADRN c1cnc(N2CCO[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]32)nc1 ZINC001164691494 719800863 /nfs/dbraw/zinc/80/08/63/719800863.db2.gz IGGZKOWDQQGNER-ROUUACIJSA-N 0 0 479.610 1.896 20 0 JDADRN c1cnc(N2CCO[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]32)nc1 ZINC001164691495 719800952 /nfs/dbraw/zinc/80/09/52/719800952.db2.gz IGGZKOWDQQGNER-ZWKOTPCHSA-N 0 0 479.610 1.896 20 0 JDADRN CN1CCc2nc(Cl)nc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@H]4C3)c2C1 ZINC001164701655 719820125 /nfs/dbraw/zinc/82/01/25/719820125.db2.gz PRQIBYWJGMBTAX-YSGRDPCXSA-N 0 0 456.978 1.856 20 0 JDADRN CCOC(=O)c1cnc(C(F)(F)N2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)nc1Cl ZINC001164696835 719827467 /nfs/dbraw/zinc/82/74/67/719827467.db2.gz KWEGOCCGHXRSKB-LBPRGKRZSA-N 0 0 472.880 1.447 20 0 JDADRN CCOC(=O)c1cnc(C(F)(F)N2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)nc1Cl ZINC001164696829 719827538 /nfs/dbraw/zinc/82/75/38/719827538.db2.gz KWEGOCCGHXRSKB-GFCCVEGCSA-N 0 0 472.880 1.447 20 0 JDADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2ccc(C(=O)OC)nc2Cl)C1 ZINC001164698794 719828253 /nfs/dbraw/zinc/82/82/53/719828253.db2.gz UXKLDPRUZCERJE-GFCCVEGCSA-N 0 0 457.865 1.662 20 0 JDADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)C1 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CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[S@@](=O)CC)CC1 ZINC001546278042 1070258406 /nfs/dbraw/zinc/25/84/06/1070258406.db2.gz UKEGRNDDVRSVGS-JJVXONKQSA-N 0 0 488.658 1.874 20 0 JDADRN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CC1CCOCC1 ZINC001493200608 1070255149 /nfs/dbraw/zinc/25/51/49/1070255149.db2.gz FGPHXTZGVSCXLI-PMACEKPBSA-N 0 0 489.665 1.469 20 0 JDADRN C[C@H]1c2ccccc2CN1c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O ZINC001493201058 1070255204 /nfs/dbraw/zinc/25/52/04/1070255204.db2.gz GFWDBVINMHLWDP-AWEZNQCLSA-N 0 0 460.585 1.900 20 0 JDADRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(CC(C)(C)C)n3CCNS(C)(=O)=O)CC2)C1 ZINC001493206321 1070258520 /nfs/dbraw/zinc/25/85/20/1070258520.db2.gz VHOLXBAZIGPKSR-RTBURBONSA-N 0 0 497.710 1.042 20 0 JDADRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nnc([C@@H]4CCOC4)n3CCCC(=O)N(C)C)CC2)C1 ZINC001493205056 1070258554 /nfs/dbraw/zinc/25/85/54/1070258554.db2.gz QVGHXIHIXFJWRH-QHAWAJNXSA-N 0 0 489.665 1.277 20 0 JDADRN 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ZINC001502434292 1070391143 /nfs/dbraw/zinc/39/11/43/1070391143.db2.gz AJMZYEXVZYVRFA-UHFFFAOYSA-N 0 0 468.581 1.780 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001502434376 1070391221 /nfs/dbraw/zinc/39/12/21/1070391221.db2.gz BYAJZRAYSBVNDF-LJQANCHMSA-N 0 0 469.590 1.126 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 ZINC001502435026 1070395339 /nfs/dbraw/zinc/39/53/39/1070395339.db2.gz VJIUJNUQTDZCLA-UHFFFAOYSA-N 0 0 480.617 1.381 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001502434593 1070391515 /nfs/dbraw/zinc/39/15/15/1070391515.db2.gz FMXKTZIQNDSFDH-UHFFFAOYSA-N 0 0 483.646 1.401 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001502434624 1070391728 /nfs/dbraw/zinc/39/17/28/1070391728.db2.gz GIYILODYZDAAQN-IBGZPJMESA-N 0 0 463.586 1.624 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnn(C)c2C)CC1 ZINC001502434533 1070391835 /nfs/dbraw/zinc/39/18/35/1070391835.db2.gz FFYJBULWSMTWAE-UHFFFAOYSA-N 0 0 464.618 1.802 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](OC)C(C)C)CC1 ZINC001502434581 1070391872 /nfs/dbraw/zinc/39/18/72/1070391872.db2.gz FJAVAKQINQUIHW-FQEVSTJZSA-N 0 0 468.606 1.446 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001502434459 1070391936 /nfs/dbraw/zinc/39/19/36/1070391936.db2.gz DTBDDLOSJWSALY-UHFFFAOYSA-N 0 0 459.561 1.763 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001502434681 1070392130 /nfs/dbraw/zinc/39/21/30/1070392130.db2.gz ICZQKCXROCIXML-UHFFFAOYSA-N 0 0 483.646 1.719 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001502434706 1070392153 /nfs/dbraw/zinc/39/21/53/1070392153.db2.gz IZQJHHQRDOOJSK-UHFFFAOYSA-N 0 0 476.629 1.831 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001502434658 1070392440 /nfs/dbraw/zinc/39/24/40/1070392440.db2.gz HINLIFBPPZLKIK-IBGZPJMESA-N 0 0 474.679 1.930 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001502435123 1070395635 /nfs/dbraw/zinc/39/56/35/1070395635.db2.gz YKZCXUAGXBSOQV-ZWKOTPCHSA-N 0 0 489.646 1.343 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001502435124 1070395677 /nfs/dbraw/zinc/39/56/77/1070395677.db2.gz YLYFBWQHANTGCK-UHFFFAOYSA-N 0 0 491.543 1.016 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001502434779 1070392695 /nfs/dbraw/zinc/39/26/95/1070392695.db2.gz LZOZKTPJLVDRDA-UHFFFAOYSA-N 0 0 453.591 1.091 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001502434755 1070392822 /nfs/dbraw/zinc/39/28/22/1070392822.db2.gz LJIZRWQMHKOCEY-UHFFFAOYSA-N 0 0 453.591 1.287 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC2(OC)CCCCC2)CC1 ZINC001502434714 1070392855 /nfs/dbraw/zinc/39/28/55/1070392855.db2.gz JFTJHRWBTYTLOB-UHFFFAOYSA-N 0 0 461.611 1.008 20 0 JDADRN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001494102014 1070395681 /nfs/dbraw/zinc/39/56/81/1070395681.db2.gz UEYYYQIBNZPHHA-IRXDYDNUSA-N 0 0 498.588 1.992 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccn(C)n2)CC1 ZINC001502434804 1070393082 /nfs/dbraw/zinc/39/30/82/1070393082.db2.gz MNPHIDXGJKWLGL-UHFFFAOYSA-N 0 0 466.590 1.112 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(F)CCC2)CC1 ZINC001502434890 1070393360 /nfs/dbraw/zinc/39/33/60/1070393360.db2.gz PJPHPUZVNFIFLK-UHFFFAOYSA-N 0 0 477.610 1.810 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001502434874 1070393382 /nfs/dbraw/zinc/39/33/82/1070393382.db2.gz OXBHNCVWAPYQLM-UHFFFAOYSA-N 0 0 489.571 1.819 20 0 JDADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494097904 1070393470 /nfs/dbraw/zinc/39/34/70/1070393470.db2.gz CKJXNCWLCXIRBL-KURKYZTESA-N 0 0 484.667 1.158 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2CCC2(O)CCOCC2)CC1 ZINC001502434821 1070393450 /nfs/dbraw/zinc/39/34/50/1070393450.db2.gz MYFPRYIBNXEGHS-UHFFFAOYSA-N 0 0 462.620 1.120 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001502435136 1070395769 /nfs/dbraw/zinc/39/57/69/1070395769.db2.gz YVXICEPFLSORFY-HXUWFJFHSA-N 0 0 467.618 1.771 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001502434862 1070393702 /nfs/dbraw/zinc/39/37/02/1070393702.db2.gz OTZDQNGELNWHPR-UHFFFAOYSA-N 0 0 453.591 1.690 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CO)c2)CC1 ZINC001502434959 1070393982 /nfs/dbraw/zinc/39/39/82/1070393982.db2.gz RQKGGFBDHRQAFZ-UHFFFAOYSA-N 0 0 454.600 1.729 20 0 JDADRN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494097908 1070394011 /nfs/dbraw/zinc/39/40/11/1070394011.db2.gz CKJXNCWLCXIRBL-OKZBNKHCSA-N 0 0 484.667 1.158 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001502434965 1070394084 /nfs/dbraw/zinc/39/40/84/1070394084.db2.gz RUSAMDQJDLBSHQ-HKBQPEDESA-N 0 0 450.653 1.570 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(N(C)C)c2)CC1 ZINC001502434952 1070394169 /nfs/dbraw/zinc/39/41/69/1070394169.db2.gz RINJDBYBPAETGC-UHFFFAOYSA-N 0 0 462.602 1.636 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)C)CC1 ZINC001502434910 1070394189 /nfs/dbraw/zinc/39/41/89/1070394189.db2.gz PXQVZHVZEKTZPI-UHFFFAOYSA-N 0 0 454.579 1.200 20 0 JDADRN C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 ZINC001494098465 1070394088 /nfs/dbraw/zinc/39/40/88/1070394088.db2.gz HFZSIYAJLXUFNB-LBPRGKRZSA-N 0 0 485.408 1.527 20 0 JDADRN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(C(C)(C)C)s1 ZINC001494100399 1070394672 /nfs/dbraw/zinc/39/46/72/1070394672.db2.gz NMLWICRWUMICMJ-ZDUSSCGKSA-N 0 0 469.575 1.790 20 0 JDADRN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCC1 ZINC001494099309 1070394777 /nfs/dbraw/zinc/39/47/77/1070394777.db2.gz KJYOVSNFHFBPFQ-HNNXBMFYSA-N 0 0 460.966 1.834 20 0 JDADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CCCCCS(C)(=O)=O ZINC001494098989 1070394803 /nfs/dbraw/zinc/39/48/03/1070394803.db2.gz JEMFUSBKFDLILY-CYBMUJFWSA-N 0 0 487.424 1.918 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001502435155 1070395903 /nfs/dbraw/zinc/39/59/03/1070395903.db2.gz ZRWFDEVYIAQHMM-UHFFFAOYSA-N 0 0 494.522 1.121 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001502435411 1070395980 /nfs/dbraw/zinc/39/59/80/1070395980.db2.gz ASIUHZYSBGPLDG-RBUKOAKNSA-N 0 0 491.637 1.787 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CC=CCO2)CC1 ZINC001502435085 1070395175 /nfs/dbraw/zinc/39/51/75/1070395175.db2.gz WYJMFAZYFYGOAZ-OAQYLSRUSA-N 0 0 454.575 1.503 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001502435084 1070395253 /nfs/dbraw/zinc/39/52/53/1070395253.db2.gz WYJMFAZYFYGOAZ-NRFANRHFSA-N 0 0 454.575 1.503 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001502435031 1070395273 /nfs/dbraw/zinc/39/52/73/1070395273.db2.gz VLNMYQWNVJNSKA-UHFFFAOYSA-N 0 0 485.614 1.649 20 0 JDADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001494102829 1070396158 /nfs/dbraw/zinc/39/61/58/1070396158.db2.gz VXPSSSHGSCTAIJ-CQSZACIVSA-N 0 0 485.536 1.341 20 0 JDADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001494103468 1070396457 /nfs/dbraw/zinc/39/64/57/1070396457.db2.gz YNSJWSLQUHIAOL-OAHLLOKOSA-N 0 0 471.528 1.455 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001502435435 1070396358 /nfs/dbraw/zinc/39/63/58/1070396358.db2.gz BPKYGRRLLBRTBB-RUZDIDTESA-N 0 0 483.617 1.210 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001502435440 1070396445 /nfs/dbraw/zinc/39/64/45/1070396445.db2.gz BSRBVYSMWFXHJR-DLBZAZTESA-N 0 0 473.544 1.272 20 0 JDADRN CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)CC1 ZINC001502435533 1070396748 /nfs/dbraw/zinc/39/67/48/1070396748.db2.gz GBTJBKHZSZWWSY-UHFFFAOYSA-N 0 0 471.562 1.431 20 0 JDADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 ZINC001494105530 1070396846 /nfs/dbraw/zinc/39/68/46/1070396846.db2.gz DQAQGGTZKFKCCC-CQSZACIVSA-N 0 0 464.473 1.072 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001502435487 1070397039 /nfs/dbraw/zinc/39/70/39/1070397039.db2.gz DEXSFWFQWULKPP-HXUWFJFHSA-N 0 0 469.590 1.186 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001502435545 1070397079 /nfs/dbraw/zinc/39/70/79/1070397079.db2.gz GGPXCRZGKPMCOW-XMMPIXPASA-N 0 0 458.607 1.831 20 0 JDADRN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC1CC1 ZINC001494106115 1070397058 /nfs/dbraw/zinc/39/70/58/1070397058.db2.gz GTKLXSOLCDRUEO-MRXNPFEDSA-N 0 0 461.588 1.832 20 0 JDADRN C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 ZINC001494105528 1070397075 /nfs/dbraw/zinc/39/70/75/1070397075.db2.gz 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461.588 1.832 20 0 JDADRN CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC)CC1 ZINC001502436051 1070398790 /nfs/dbraw/zinc/39/87/90/1070398790.db2.gz OSGIZFLAVXTHCV-UHFFFAOYSA-N 0 0 455.563 1.813 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nncn2CC)CC1 ZINC001502435889 1070398812 /nfs/dbraw/zinc/39/88/12/1070398812.db2.gz MDTKEHGXEGWUDN-UHFFFAOYSA-N 0 0 481.605 1.392 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(F)cn2)CC1 ZINC001502435992 1070398984 /nfs/dbraw/zinc/39/89/84/1070398984.db2.gz NGPFXGWFYOWJRV-UHFFFAOYSA-N 0 0 471.512 1.837 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001502436193 1070399201 /nfs/dbraw/zinc/39/92/01/1070399201.db2.gz QGDFSHNPXAUFBU-IBGZPJMESA-N 0 0 494.543 1.548 20 0 JDADRN CCNC(=O)CN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCCCC2)CC1 ZINC001502436089 1070399388 /nfs/dbraw/zinc/39/93/88/1070399388.db2.gz PWKZICLEWVQWLE-UHFFFAOYSA-N 0 0 474.581 1.950 20 0 JDADRN 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CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001494887776 1070766629 /nfs/dbraw/zinc/76/66/29/1070766629.db2.gz RSGIYPLWMULWJR-SBUREZEXSA-N 0 0 457.579 1.310 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001494859414 1070761101 /nfs/dbraw/zinc/76/11/01/1070761101.db2.gz XSIGGBAGRNULGK-HKARXFIJSA-N 0 0 455.563 1.924 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2C[C@@H](OC)C(C)(C)C)CCOC1 ZINC001502676648 1070761184 /nfs/dbraw/zinc/76/11/84/1070761184.db2.gz NAMGTTZMIIQTEY-UOKFIYJESA-N 0 0 492.621 1.806 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2C[C@H](OC)C(C)(C)C)CCOC1 ZINC001502676649 1070761280 /nfs/dbraw/zinc/76/12/80/1070761280.db2.gz NAMGTTZMIIQTEY-YRUKQIKQSA-N 0 0 492.621 1.806 20 0 JDADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001494859422 1070761221 /nfs/dbraw/zinc/76/12/21/1070761221.db2.gz XSIGGBAGRNULGK-QQMNAOGKSA-N 0 0 455.563 1.924 20 0 JDADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O ZINC001494857967 1070761243 /nfs/dbraw/zinc/76/12/43/1070761243.db2.gz FRSOQZUDTPEYDW-SJKOYZFVSA-N 0 0 477.429 1.818 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(c4ccnn4C)CC3)n2CC(C)(C)C(=O)NC)CCOC1 ZINC001502677135 1070761746 /nfs/dbraw/zinc/76/17/46/1070761746.db2.gz ULTDHAUIPDNTTN-QHCPKHFHSA-N 0 0 459.595 1.820 20 0 JDADRN CCO[C@@]1(c2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CCCS(C)(=O)=O)CCOC1 ZINC001502676765 1070761763 /nfs/dbraw/zinc/76/17/63/1070761763.db2.gz OPMHLSLPYRAMNS-UZLBHIALSA-N 0 0 452.581 1.092 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001494859756 1070761751 /nfs/dbraw/zinc/76/17/51/1070761751.db2.gz KGCAUFOSSISWKT-GSHUGGBRSA-N 0 0 486.683 1.769 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001494859759 1070762019 /nfs/dbraw/zinc/76/20/19/1070762019.db2.gz KGCAUFOSSISWKT-PNLZDCPESA-N 0 0 486.683 1.769 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC2([S@](C)=O)CC2)CCOC1 ZINC001502676985 1070761939 /nfs/dbraw/zinc/76/19/39/1070761939.db2.gz RPWUJTCTWPZJDD-KCEHZKJRSA-N 0 0 467.636 1.536 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2cccn(CC)c2=O)CCOC1 ZINC001502676824 1070762053 /nfs/dbraw/zinc/76/20/53/1070762053.db2.gz PQRPIERQYLRIAW-RUZDIDTESA-N 0 0 486.617 1.855 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(c4nccs4)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001502677137 1070762115 /nfs/dbraw/zinc/76/21/15/1070762115.db2.gz ULVQGPYAYDZGDK-HXUWFJFHSA-N 0 0 484.648 1.662 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CNC(C)=O)CC3)n2CC(=O)NCc2ccco2)CCOC1 ZINC001502679637 1070766740 /nfs/dbraw/zinc/76/67/40/1070766740.db2.gz CLHJXQXLGAXDDQ-HSZRJFAPSA-N 0 0 474.562 1.192 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(Cn4cc(C)cn4)CC3)n2CC(=O)N(C)CC)CCOC1 ZINC001502679747 1070766759 /nfs/dbraw/zinc/76/67/59/1070766759.db2.gz FBYRVEMVQKDFIZ-HSZRJFAPSA-N 0 0 459.595 1.830 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(COC)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 ZINC001502679791 1070766783 /nfs/dbraw/zinc/76/67/83/1070766783.db2.gz FQTTVBNHPTYXRW-GHTZIAJQSA-N 0 0 471.624 1.075 20 0 JDADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001494860237 1070762744 /nfs/dbraw/zinc/76/27/44/1070762744.db2.gz PPIQTUIUZZOOAE-AVYPCKFXSA-N 0 0 458.629 1.133 20 0 JDADRN CCO[C@]1(c2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CCC(=O)N[C@H](C)CC)CCOC1 ZINC001502677452 1070762832 /nfs/dbraw/zinc/76/28/32/1070762832.db2.gz ZJQLUXGQKXWKNW-PMAPCBKXSA-N 0 0 459.595 1.962 20 0 JDADRN CCO[C@]1(c2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2CCC(=O)N[C@@H](C)CC)CCOC1 ZINC001502677451 1070762931 /nfs/dbraw/zinc/76/29/31/1070762931.db2.gz ZJQLUXGQKXWKNW-IUKKYPGJSA-N 0 0 459.595 1.962 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001494860432 1070763336 /nfs/dbraw/zinc/76/33/36/1070763336.db2.gz SFYATMWAYGHPPA-NLEAXPPASA-N 0 0 458.625 1.814 20 0 JDADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001494861160 1070763576 /nfs/dbraw/zinc/76/35/76/1070763576.db2.gz XUKAGCAHTMZSAR-QYWGDWMGSA-N 0 0 466.583 1.320 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@H](C)OC)CCOC1 ZINC001502680056 1070767304 /nfs/dbraw/zinc/76/73/04/1070767304.db2.gz KJDQSSQHCUDDGS-LIRRHRJNSA-N 0 0 463.501 1.860 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001494868980 1070764091 /nfs/dbraw/zinc/76/40/91/1070764091.db2.gz CCWRBCBVGWRTRW-QMHKHESXSA-N 0 0 492.646 1.694 20 0 JDADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001494868977 1070764156 /nfs/dbraw/zinc/76/41/56/1070764156.db2.gz CCWRBCBVGWRTRW-MWTRTKDXSA-N 0 0 492.646 1.694 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCOC1 ZINC001502678165 1070764163 /nfs/dbraw/zinc/76/41/63/1070764163.db2.gz HVKCXWPWSVFSMI-XMMPIXPASA-N 0 0 492.621 1.889 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 ZINC001502678182 1070764224 /nfs/dbraw/zinc/76/42/24/1070764224.db2.gz IFGNUTYVTATAEI-BEFAXECRSA-N 0 0 463.501 1.989 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[C@H]2COCCO2)CCOC1 ZINC001502678187 1070764307 /nfs/dbraw/zinc/76/43/07/1070764307.db2.gz IGGBPDZVCZMWKJ-CVDCTZTESA-N 0 0 465.595 1.430 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CCCN2CCCCCC2=O)CCOC1 ZINC001502678194 1070764334 /nfs/dbraw/zinc/76/43/34/1070764334.db2.gz IIGDLBKCBDPSMT-DEOSSOPVSA-N 0 0 476.622 1.815 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 ZINC001502678183 1070764394 /nfs/dbraw/zinc/76/43/94/1070764394.db2.gz IFGNUTYVTATAEI-DNVCBOLYSA-N 0 0 463.501 1.989 20 0 JDADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 ZINC001494868966 1070764495 /nfs/dbraw/zinc/76/44/95/1070764495.db2.gz BZZDKHCOERPQGN-MBSDFSHPSA-N 0 0 479.647 1.914 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 ZINC001502678799 1070765057 /nfs/dbraw/zinc/76/50/57/1070765057.db2.gz SDVOGPZEMBHICF-QFIPXVFZSA-N 0 0 450.584 1.327 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C[S@](C)=O)cc2)CCOC1 ZINC001502678435 1070765254 /nfs/dbraw/zinc/76/52/54/1070765254.db2.gz MEYRHYJTVQIUMR-ZWVRTZEQSA-N 0 0 489.642 1.949 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001494872052 1070765359 /nfs/dbraw/zinc/76/53/59/1070765359.db2.gz WGCNMNDDLPFQBY-PONJGIIJSA-N 0 0 465.620 1.964 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2COCCO2)CCOC1 ZINC001502679145 1070765749 /nfs/dbraw/zinc/76/57/49/1070765749.db2.gz YSQBDHZCFHAVDN-PGRDOPGGSA-N 0 0 451.568 1.040 20 0 JDADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494881925 1070765735 /nfs/dbraw/zinc/76/57/35/1070765735.db2.gz RLPAUUMEZQTCIE-KUHUBIRLSA-N 0 0 457.000 1.872 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502680051 1070767219 /nfs/dbraw/zinc/76/72/19/1070767219.db2.gz KIYQDKQJUOZRHQ-HSZRJFAPSA-N 0 0 480.610 1.760 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CO)CC3)n2CCc2cccc(C(=O)NC)c2)CCOC1 ZINC001502679947 1070767279 /nfs/dbraw/zinc/76/72/79/1070767279.db2.gz IFWVBYKHFBKLJF-DEOSSOPVSA-N 0 0 457.575 1.741 20 0 JDADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001494880694 1070765889 /nfs/dbraw/zinc/76/58/89/1070765889.db2.gz MHNWJUDUQIHPHZ-VFNWGFHPSA-N 0 0 452.577 1.994 20 0 JDADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494881923 1070765934 /nfs/dbraw/zinc/76/59/34/1070765934.db2.gz RLPAUUMEZQTCIE-AUUYWEPGSA-N 0 0 457.000 1.872 20 0 JDADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001494897718 1070767364 /nfs/dbraw/zinc/76/73/64/1070767364.db2.gz NBIICQTWAKYKEH-DVECYGJZSA-N 0 0 473.622 1.062 20 0 JDADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001494895310 1070767390 /nfs/dbraw/zinc/76/73/90/1070767390.db2.gz CNEYFTIXVCMIAO-HKARXFIJSA-N 0 0 456.595 1.321 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC2(CC)CC2)CCOC1 ZINC001502679858 1070767533 /nfs/dbraw/zinc/76/75/33/1070767533.db2.gz GUKZIDNWNOVPGW-OAQYLSRUSA-N 0 0 455.625 1.886 20 0 JDADRN CCO[C@]1(c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@H](C)OC)CCOC1 ZINC001502680054 1070767641 /nfs/dbraw/zinc/76/76/41/1070767641.db2.gz KJDQSSQHCUDDGS-IFXJQAMLSA-N 0 0 463.501 1.860 20 0 JDADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001494897539 1070767591 /nfs/dbraw/zinc/76/75/91/1070767591.db2.gz MBZYOIPYVSBAAL-OSPHWJPCSA-N 0 0 464.574 1.958 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CCc2nccs2)CCOC1 ZINC001502680189 1070768413 /nfs/dbraw/zinc/76/84/13/1070768413.db2.gz MKQFTABJQMMWMH-FQEVSTJZSA-N 0 0 484.648 1.395 20 0 JDADRN 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20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2CCCN2CCOC2=O)CCOC1 ZINC001502714260 1070822321 /nfs/dbraw/zinc/82/23/21/1070822321.db2.gz KHZUVDFYRVNGCU-HRAATJIYSA-N 0 0 466.539 1.049 20 0 JDADRN COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc(OC)c1OC ZINC001504090219 1070827879 /nfs/dbraw/zinc/82/78/79/1070827879.db2.gz GURRLGMFYFPXDQ-WMZOPIPTSA-N 0 0 486.573 1.656 20 0 JDADRN COc1cc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCNC(=O)C(C)C)cc(OC)c1OC ZINC001504079193 1070822551 /nfs/dbraw/zinc/82/25/51/1070822551.db2.gz KFTODMFHPXPMBC-QGZVFWFLSA-N 0 0 486.573 1.554 20 0 JDADRN COc1cc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCC(C)(F)F)ccc1OC(C)C ZINC001504079636 1070822603 /nfs/dbraw/zinc/82/26/03/1070822603.db2.gz MUSRJJPZSHZMON-MRXNPFEDSA-N 0 0 492.527 1.933 20 0 JDADRN COc1cc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCNC(=O)C(C)C)cc(OC)c1OC ZINC001504079192 1070822658 /nfs/dbraw/zinc/82/26/58/1070822658.db2.gz KFTODMFHPXPMBC-KRWDZBQOSA-N 0 0 486.573 1.554 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001495806531 1070822688 /nfs/dbraw/zinc/82/26/88/1070822688.db2.gz ZBIAPYYFARDSMF-DLBZAZTESA-N 0 0 452.625 1.017 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1Cc1nnn(C)n1 ZINC001495805143 1070822709 /nfs/dbraw/zinc/82/27/09/1070822709.db2.gz SMHLWHUTYWFVRJ-SQNIBIBYSA-N 0 0 458.615 1.180 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)n2CC(C)C)CCOC1 ZINC001502714436 1070822763 /nfs/dbraw/zinc/82/27/63/1070822763.db2.gz NOMOXJUUQMIAHX-HYBUGGRVSA-N 0 0 456.591 1.935 20 0 JDADRN CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC(=O)N1CCOCC1 ZINC001495931384 1070827888 /nfs/dbraw/zinc/82/78/88/1070827888.db2.gz BPVWYGSBIYLGLP-SFHVURJKSA-N 0 0 467.636 1.978 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001495805838 1070822746 /nfs/dbraw/zinc/82/27/46/1070822746.db2.gz VTBFGPQSTMOLKE-SFHVURJKSA-N 0 0 488.658 1.785 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1Cc1nnn(C)n1 ZINC001495805138 1070822821 /nfs/dbraw/zinc/82/28/21/1070822821.db2.gz SMHLWHUTYWFVRJ-FGTMMUONSA-N 0 0 458.615 1.180 20 0 JDADRN COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCO[C@H]2C)ccc1OC(C)C ZINC001504080056 1070822832 /nfs/dbraw/zinc/82/28/32/1070822832.db2.gz JUDSWRWWJPAFQK-AOMKIAJQSA-N 0 0 464.588 1.850 20 0 JDADRN COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCO[C@@H]2C)ccc1OC(C)C ZINC001504080063 1070822868 /nfs/dbraw/zinc/82/28/68/1070822868.db2.gz JUDSWRWWJPAFQK-OPAMFIHVSA-N 0 0 464.588 1.850 20 0 JDADRN COc1cc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(F)(F)F)cc(OC)c1OC ZINC001504080444 1070822922 /nfs/dbraw/zinc/82/29/22/1070822922.db2.gz PYYNBXARAQEBNM-GFCCVEGCSA-N 0 0 456.425 1.747 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCOC1 ZINC001502714782 1070822948 /nfs/dbraw/zinc/82/29/48/1070822948.db2.gz QSTODDIWZWVKAX-CYFREDJKSA-N 0 0 488.564 1.082 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCOC1 ZINC001502714783 1070823149 /nfs/dbraw/zinc/82/31/49/1070823149.db2.gz QSTODDIWZWVKAX-DVECYGJZSA-N 0 0 488.564 1.082 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001495848820 1070823104 /nfs/dbraw/zinc/82/31/04/1070823104.db2.gz ATUAXESIDLTYDZ-HIFRSBDPSA-N 0 0 481.479 1.323 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001495848821 1070823187 /nfs/dbraw/zinc/82/31/87/1070823187.db2.gz ATUAXESIDLTYDZ-UKRRQHHQSA-N 0 0 481.479 1.323 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(C)=O)CC3)n2CCc2ccc(NC(C)=O)cc2)CCOC1 ZINC001502715119 1070823318 /nfs/dbraw/zinc/82/33/18/1070823318.db2.gz TVBRGAJAXPUWCO-XMMPIXPASA-N 0 0 470.574 1.800 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001495848828 1070823396 /nfs/dbraw/zinc/82/33/96/1070823396.db2.gz AUCURUFWJLAISB-ZHRRBRCNSA-N 0 0 478.594 1.920 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CCNC(=O)C(C)(C)C ZINC001495848846 1070823404 /nfs/dbraw/zinc/82/34/04/1070823404.db2.gz BBAADCVHSYFLPK-MRXNPFEDSA-N 0 0 481.623 1.594 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001495848826 1070823456 /nfs/dbraw/zinc/82/34/56/1070823456.db2.gz AUCURUFWJLAISB-KSFYIVLOSA-N 0 0 478.594 1.920 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@](C)(O)CCOC)CCOC1 ZINC001502715356 1070823424 /nfs/dbraw/zinc/82/34/24/1070823424.db2.gz VDYZNTFVTIYHPW-FFZOFVMBSA-N 0 0 479.544 1.791 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@H](C)OC)CCOC1 ZINC001502714977 1070823457 /nfs/dbraw/zinc/82/34/57/1070823457.db2.gz SMUAZMNAAJSIMW-SFYKDHMMSA-N 0 0 464.611 1.098 20 0 JDADRN COc1cc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCOC2)cc(OC)c1OC ZINC001504081013 1070823498 /nfs/dbraw/zinc/82/34/98/1070823498.db2.gz MZQMXQHBDOVKOD-OAHLLOKOSA-N 0 0 466.560 1.632 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 ZINC001502715247 1070823499 /nfs/dbraw/zinc/82/34/99/1070823499.db2.gz UOIOJSBIKRHUOJ-ZHRRBRCNSA-N 0 0 466.583 1.512 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2C[C@@](C)(O)c2cccs2)CCOC1 ZINC001502715349 1070823553 /nfs/dbraw/zinc/82/35/53/1070823553.db2.gz VCSMVVOBWHEATB-NHCUHLMSSA-N 0 0 465.576 1.788 20 0 JDADRN COc1cc(CCn2c(-c3cnn(C)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1C ZINC001504080947 1070823629 /nfs/dbraw/zinc/82/36/29/1070823629.db2.gz IJBHZZSBNFYBDU-KRWDZBQOSA-N 0 0 473.603 1.708 20 0 JDADRN COc1cc(-c2nnc(N3CCNC(=O)CC3)n2CCCc2c[nH]nc2C)cc(OC)c1OC ZINC001504080673 1070823666 /nfs/dbraw/zinc/82/36/66/1070823666.db2.gz RVUYTNBKXKURQF-UHFFFAOYSA-N 0 0 469.546 1.962 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCCC(F)(F)F ZINC001495848857 1070823559 /nfs/dbraw/zinc/82/35/59/1070823559.db2.gz BKZNPZFFLRFCRV-CYBMUJFWSA-N 0 0 458.489 1.601 20 0 JDADRN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C)cc2OCCOC)CCOC1 ZINC001502715416 1070823689 /nfs/dbraw/zinc/82/36/89/1070823689.db2.gz VKYNUTMVLMFGAP-VWLOTQADSA-N 0 0 487.601 1.981 20 0 JDADRN CCO[C@]1(c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@](C)(O)CCOC)CCOC1 ZINC001502715360 1070823703 /nfs/dbraw/zinc/82/37/03/1070823703.db2.gz VDYZNTFVTIYHPW-PWIZWCRZSA-N 0 0 479.544 1.791 20 0 JDADRN CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001495982631 1070828648 /nfs/dbraw/zinc/82/86/48/1070828648.db2.gz AKMKBGJBSFHPOM-IIBYNOLFSA-N 0 0 499.659 1.227 20 0 JDADRN CC[C@H](C)c1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001495965770 1070828678 /nfs/dbraw/zinc/82/86/78/1070828678.db2.gz AIQMJEIMEZJNBZ-SESVDKBCSA-N 0 0 456.591 1.990 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC(=O)NC(C)C ZINC001495848901 1070823704 /nfs/dbraw/zinc/82/37/04/1070823704.db2.gz CHNJSBLDXLMJHI-GOSISDBHSA-N 0 0 462.620 1.968 20 0 JDADRN COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)cc(OC)c1 ZINC001504091191 1070828002 /nfs/dbraw/zinc/82/80/02/1070828002.db2.gz MHAMQGYBKNYRQB-OXQOHEQNSA-N 0 0 458.563 1.604 20 0 JDADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](OC)C2)cc(Cl)c1OC ZINC001504090308 1070828031 /nfs/dbraw/zinc/82/80/31/1070828031.db2.gz OGVUYFDXZDFMKU-JSGCOSHPSA-N 0 0 473.983 1.832 20 0 JDADRN CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001495920429 1070828003 /nfs/dbraw/zinc/82/80/03/1070828003.db2.gz MFDPPGWIKJPMTE-QAPCUYQASA-N 0 0 464.592 1.023 20 0 JDADRN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1Cc1ncn(C)n1 ZINC001495848887 1070823838 /nfs/dbraw/zinc/82/38/38/1070823838.db2.gz BUNTWUOSVQEONU-HNNXBMFYSA-N 0 0 462.555 1.618 20 0 JDADRN COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)ccc1C ZINC001504081393 1070823840 /nfs/dbraw/zinc/82/38/40/1070823840.db2.gz KABCZQRJROQAMN-NVXWUHKLSA-N 0 0 485.632 1.071 20 0 JDADRN 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CCOc1ccc2c(c1)CN(c1nnc([C@H]3CCC(=O)N3)n1CCNS(=O)(=O)CC)CC2 ZINC001502872490 1070871830 /nfs/dbraw/zinc/87/18/30/1070871830.db2.gz JRVIYILIDYJYMQ-GOSISDBHSA-N 0 0 462.576 1.130 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCCNS(C)(=O)=O)cc1OC ZINC001504183042 1070867783 /nfs/dbraw/zinc/86/77/83/1070867783.db2.gz GFVVCBYQGGPQBI-KRWDZBQOSA-N 0 0 492.602 1.103 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCNC(=O)c2ccco2)c(OC)c1 ZINC001504183475 1070867789 /nfs/dbraw/zinc/86/77/89/1070867789.db2.gz ARYWEROTZFIJDW-INIZCTEOSA-N 0 0 489.554 1.609 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001504183046 1070867841 /nfs/dbraw/zinc/86/78/41/1070867841.db2.gz NPZYNVLEIOPDIR-UHFFFAOYSA-N 0 0 478.619 1.634 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc([C@@]4(OCC)CCOC4)n3CC(=O)N(C)C)CC2)cc1 ZINC001502850824 1070867813 /nfs/dbraw/zinc/86/78/13/1070867813.db2.gz HWWFMAQIWAANBX-RUZDIDTESA-N 0 0 486.617 1.739 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001504183071 1070867895 /nfs/dbraw/zinc/86/78/95/1070867895.db2.gz NYMWXQZHXUSKNA-SSEXGKCCSA-N 0 0 467.617 1.383 20 0 JDADRN CCOc1ccc(CN2CCN(c3nnc(-c4cnccn4)n3CCCS(C)(=O)=O)CC2)cc1 ZINC001502851277 1070868076 /nfs/dbraw/zinc/86/80/76/1070868076.db2.gz PQBDIAHNSPRYHA-UHFFFAOYSA-N 0 0 485.614 1.891 20 0 JDADRN COc1ccc(-c2nnc(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)n2CCCNC(C)=O)cc1 ZINC001504183677 1070868167 /nfs/dbraw/zinc/86/81/67/1070868167.db2.gz PCBCLDNLQWAXMR-IBGZPJMESA-N 0 0 469.546 1.247 20 0 JDADRN COc1ccc(-c2nnc(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)n2CCCNC(C)=O)cc1 ZINC001504183682 1070868188 /nfs/dbraw/zinc/86/81/88/1070868188.db2.gz PCBCLDNLQWAXMR-LJQANCHMSA-N 0 0 469.546 1.247 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(=O)N2CCOCC2)cc1 ZINC001502853679 1070868240 /nfs/dbraw/zinc/86/82/40/1070868240.db2.gz RQFGMHFELLIHJE-QZTJIDSGSA-N 0 0 486.573 1.343 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N(CC)[C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)cc1 ZINC001502852820 1070868248 /nfs/dbraw/zinc/86/82/48/1070868248.db2.gz DVIAZEVRRRVFMH-IAGOWNOFSA-N 0 0 479.603 1.918 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(=O)N2CCOCC2)cc1 ZINC001502853681 1070868394 /nfs/dbraw/zinc/86/83/94/1070868394.db2.gz RQFGMHFELLIHJE-ZWKOTPCHSA-N 0 0 486.573 1.343 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ncccc2N(C)C)c(OC)c1 ZINC001504183856 1070868369 /nfs/dbraw/zinc/86/83/69/1070868369.db2.gz RYSQFAFQMRGETM-UHFFFAOYSA-N 0 0 495.584 1.942 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCc2ccn(C)n2)c(OC)c1 ZINC001504184241 1070868415 /nfs/dbraw/zinc/86/84/15/1070868415.db2.gz FKSBYDGMSZQBRQ-UHFFFAOYSA-N 0 0 474.587 1.952 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC(=O)N(C)C)cc1Br ZINC001504184300 1070868450 /nfs/dbraw/zinc/86/84/50/1070868450.db2.gz FWJVNGHFONASPI-HXUWFJFHSA-N 0 0 477.363 1.521 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCS(C)(=O)=O)cc1 ZINC001502855438 1070868601 /nfs/dbraw/zinc/86/86/01/1070868601.db2.gz ANMGXLYLJQJZPG-CABCVRRESA-N 0 0 451.549 1.173 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCS(C)(=O)=O)cc1 ZINC001502854111 1070868609 /nfs/dbraw/zinc/86/86/09/1070868609.db2.gz YXWYTROBAMMIMA-IAGOWNOFSA-N 0 0 479.603 1.918 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001502855565 1070868657 /nfs/dbraw/zinc/86/86/57/1070868657.db2.gz CKENJQAYYWVVNK-HOTGVXAUSA-N 0 0 458.563 1.901 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC ZINC001504184801 1070868745 /nfs/dbraw/zinc/86/87/45/1070868745.db2.gz YSEXLPGAZLYNEI-QHCPKHFHSA-N 0 0 494.614 1.906 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)c(OC)c1 ZINC001504184784 1070868757 /nfs/dbraw/zinc/86/87/57/1070868757.db2.gz IRFSBYZRAZSGFP-NVXWUHKLSA-N 0 0 498.627 1.410 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2Cc2cnnn2C)cc1 ZINC001502857541 1070868818 /nfs/dbraw/zinc/86/88/18/1070868818.db2.gz VGZQLKTYGQJKBY-MWTRTKDXSA-N 0 0 468.562 1.956 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@]2(OC)CCOC2)cc1 ZINC001502857626 1070868835 /nfs/dbraw/zinc/86/88/35/1070868835.db2.gz WEBABCCJESXWHR-DGGJZMOXSA-N 0 0 459.547 1.934 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2Cc2cnnn2C)cc1 ZINC001502857540 1070868906 /nfs/dbraw/zinc/86/89/06/1070868906.db2.gz VGZQLKTYGQJKBY-HJPURHCSSA-N 0 0 468.562 1.956 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1OC ZINC001504184824 1070868973 /nfs/dbraw/zinc/86/89/73/1070868973.db2.gz YWDPLPRFGKZYQW-WMZOPIPTSA-N 0 0 473.574 1.984 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C(N)=O)CC3)n2Cc2nncn2C)cc1 ZINC001502857805 1070869212 /nfs/dbraw/zinc/86/92/12/1070869212.db2.gz YTQAUAWMKHQWLG-OAHLLOKOSA-N 0 0 454.535 1.695 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(=O)c4cc(C)on4)CC3)n2CC(=O)N(C)C)c(OC)c1 ZINC001504185324 1070869330 /nfs/dbraw/zinc/86/93/30/1070869330.db2.gz WAQKPIVAYXVPNY-UHFFFAOYSA-N 0 0 497.556 1.746 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCC(=O)N(C)C)cc1OC ZINC001504185196 1070869398 /nfs/dbraw/zinc/86/93/98/1070869398.db2.gz LFUJKSDDOLYIGC-QHCPKHFHSA-N 0 0 456.547 1.690 20 0 JDADRN CCOc1ccc2c(c1)CN(c1nnc([C@H]3CCS(=O)(=O)C3)n1CCCS(C)(=O)=O)CC2 ZINC001502874966 1070872033 /nfs/dbraw/zinc/87/20/33/1070872033.db2.gz TZNBMJJMYPSJRT-KRWDZBQOSA-N 0 0 482.628 1.576 20 0 JDADRN CCOc1ccc2c(c1)CN(c1nnc([C@H]3CN(S(C)(=O)=O)CCO3)n1C[C@](C)(O)CC)CC2 ZINC001502874229 1070872072 /nfs/dbraw/zinc/87/20/72/1070872072.db2.gz ILXZFLWEBSOJGE-NFBKMPQASA-N 0 0 493.630 1.733 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCS(C)(=O)=O)cc1 ZINC001502865005 1070869519 /nfs/dbraw/zinc/86/95/19/1070869519.db2.gz DJORKGPIESYZSM-SJORKVTESA-N 0 0 479.603 1.918 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCS(=O)(=O)CC2CC2)cc1 ZINC001504191450 1070872058 /nfs/dbraw/zinc/87/20/58/1070872058.db2.gz LEZRQRTVWIKCRX-KRWDZBQOSA-N 0 0 461.588 1.870 20 0 JDADRN COc1ccc(-c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001504185861 1070869564 /nfs/dbraw/zinc/86/95/64/1070869564.db2.gz OFLUEFUVJWNSGG-UHFFFAOYSA-N 0 0 462.501 1.784 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(=O)NCC(F)(F)F)c(OC)c1 ZINC001504191046 1070872073 /nfs/dbraw/zinc/87/20/73/1070872073.db2.gz JSHLELOKZVVISG-CYBMUJFWSA-N 0 0 484.479 1.733 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CC(=O)NC(C)C)cc1OC ZINC001504185758 1070869617 /nfs/dbraw/zinc/86/96/17/1070869617.db2.gz ZLNPLVFLPOLWOH-UHFFFAOYSA-N 0 0 471.562 1.481 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001504185684 1070869635 /nfs/dbraw/zinc/86/96/35/1070869635.db2.gz YZOXTDUKSHPTHZ-UHFFFAOYSA-N 0 0 490.630 1.777 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC2CCS(=O)(=O)CC2)c(OC)c1 ZINC001504185825 1070869683 /nfs/dbraw/zinc/86/96/83/1070869683.db2.gz PNVDHYGBYRWRMC-UHFFFAOYSA-N 0 0 464.588 1.996 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H]2COCCO2)cc1OC ZINC001504185653 1070869726 /nfs/dbraw/zinc/86/97/26/1070869726.db2.gz OBKIEXOZZNIRFD-GOSISDBHSA-N 0 0 495.602 1.143 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001502867457 1070869759 /nfs/dbraw/zinc/86/97/59/1070869759.db2.gz FEQNXCKLQOSDKJ-QGZVFWFLSA-N 0 0 466.542 1.808 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C(=O)NC)CC3)n2CC(=O)NCC2CC2)cc1 ZINC001502865630 1070869766 /nfs/dbraw/zinc/86/97/66/1070869766.db2.gz NXJPGZPGOOUQAN-KRWDZBQOSA-N 0 0 485.589 1.804 20 0 JDADRN COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@]2(O)CCOC2)cc1OC ZINC001504185979 1070869868 /nfs/dbraw/zinc/86/98/68/1070869868.db2.gz QFZCNAHKXXMLIK-HSZRJFAPSA-N 0 0 459.547 1.466 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCNC(C)=O)cc1OC ZINC001504186250 1070870031 /nfs/dbraw/zinc/87/00/31/1070870031.db2.gz VIGFKAYULGGTBD-MRXNPFEDSA-N 0 0 451.549 1.112 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC001504191421 1070872155 /nfs/dbraw/zinc/87/21/55/1070872155.db2.gz TUVQXPNLSBKEOG-FUHWJXTLSA-N 0 0 479.603 1.859 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c(OC)c1 ZINC001504191519 1070872189 /nfs/dbraw/zinc/87/21/89/1070872189.db2.gz LGSXFLOURIZWLQ-YTQUADARSA-N 0 0 459.547 1.607 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001502867511 1070870095 /nfs/dbraw/zinc/87/00/95/1070870095.db2.gz FUILJBZSTLRBBE-GSHUGGBRSA-N 0 0 480.587 1.592 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001502867512 1070870154 /nfs/dbraw/zinc/87/01/54/1070870154.db2.gz FUILJBZSTLRBBE-JKSBSHDWSA-N 0 0 480.587 1.592 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCNC(=O)C(C)(C)C)cc1OC ZINC001504186300 1070870209 /nfs/dbraw/zinc/87/02/09/1070870209.db2.gz WAWUNHNNXWMVAX-XMMPIXPASA-N 0 0 470.574 1.984 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCC(=O)NC(C)C)c(OC)c1 ZINC001504186350 1070870297 /nfs/dbraw/zinc/87/02/97/1070870297.db2.gz XFDRQPPDYMJQRL-HSZRJFAPSA-N 0 0 456.547 1.736 20 0 JDADRN COc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCN2CC=CCC2)c(OC)c1 ZINC001504186320 1070870357 /nfs/dbraw/zinc/87/03/57/1070870357.db2.gz WMVGQOWOHKKVQQ-GOSISDBHSA-N 0 0 461.588 1.848 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CC2(O)CC(OCC)C2)cc1 ZINC001502868081 1070870363 /nfs/dbraw/zinc/87/03/63/1070870363.db2.gz MNWAMEZRPHJJKT-WYTFLKLQSA-N 0 0 459.547 1.683 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1OC ZINC001504187053 1070870564 /nfs/dbraw/zinc/87/05/64/1070870564.db2.gz JBVGWOHSKFKRSU-IRXDYDNUSA-N 0 0 477.587 1.631 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1OC ZINC001504187241 1070870593 /nfs/dbraw/zinc/87/05/93/1070870593.db2.gz LMJVNQUZHPUETJ-GOSISDBHSA-N 0 0 470.574 1.970 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001502868802 1070870662 /nfs/dbraw/zinc/87/06/62/1070870662.db2.gz WXYVPMCNBHDZQU-HZPDHXFCSA-N 0 0 479.559 1.502 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001502868801 1070870726 /nfs/dbraw/zinc/87/07/26/1070870726.db2.gz WXYVPMCNBHDZQU-HOTGVXAUSA-N 0 0 479.559 1.502 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2cnn(C)c2)cc1 ZINC001502868734 1070870785 /nfs/dbraw/zinc/87/07/85/1070870785.db2.gz VYTZVHXRPJOOMV-KRWDZBQOSA-N 0 0 489.602 1.680 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001502868800 1070870819 /nfs/dbraw/zinc/87/08/19/1070870819.db2.gz WXYVPMCNBHDZQU-CVEARBPZSA-N 0 0 479.559 1.502 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CCCNS(C)(=O)=O)cc1 ZINC001504188322 1070870889 /nfs/dbraw/zinc/87/08/89/1070870889.db2.gz MBCAOAMCFAWXOV-KRWDZBQOSA-N 0 0 476.603 1.388 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2CC2(O)CC2)cc1 ZINC001502870672 1070871029 /nfs/dbraw/zinc/87/10/29/1070871029.db2.gz HEVPUFOPFWCSDU-JXFKEZNVSA-N 0 0 459.547 1.683 20 0 JDADRN COc1ccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[C@H]2CCOC2)c(OC)c1 ZINC001504192100 1070872477 /nfs/dbraw/zinc/87/24/77/1070872477.db2.gz BFQAYOUGROGMHB-KRWDZBQOSA-N 0 0 479.603 1.861 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2COCCO2)cc1OC ZINC001504192167 1070872495 /nfs/dbraw/zinc/87/24/95/1070872495.db2.gz XGSFKSMPTYFEGD-IAGOWNOFSA-N 0 0 466.560 1.391 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001502868960 1070871075 /nfs/dbraw/zinc/87/10/75/1070871075.db2.gz ZAFOYAQDIBYLPC-DLBZAZTESA-N 0 0 492.602 1.465 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCCNS(C)(=O)=O)c(OC)c1 ZINC001504188981 1070871083 /nfs/dbraw/zinc/87/10/83/1070871083.db2.gz KQSUNGGKKIFDRN-NRFANRHFSA-N 0 0 467.592 1.907 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001502868963 1070871121 /nfs/dbraw/zinc/87/11/21/1070871121.db2.gz ZAFOYAQDIBYLPC-SJORKVTESA-N 0 0 492.602 1.465 20 0 JDADRN CCOc1ccc2c(c1)CN(c1nnc([C@@H]3CCS(=O)(=O)C3)n1CCCS(C)(=O)=O)CC2 ZINC001502874968 1070872346 /nfs/dbraw/zinc/87/23/46/1070872346.db2.gz TZNBMJJMYPSJRT-QGZVFWFLSA-N 0 0 482.628 1.576 20 0 JDADRN COc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccn(C)n2)cc1OC ZINC001504188754 1070871228 /nfs/dbraw/zinc/87/12/28/1070871228.db2.gz GLYJGRHQCGGORW-KRWDZBQOSA-N 0 0 460.560 1.758 20 0 JDADRN CCOc1ccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001502871589 1070871355 /nfs/dbraw/zinc/87/13/55/1070871355.db2.gz QVJWGPYFGVARBS-GSHUGGBRSA-N 0 0 480.587 1.592 20 0 JDADRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCOCC2)cc1 ZINC001502871622 1070871380 /nfs/dbraw/zinc/87/13/80/1070871380.db2.gz RSCZXLRZWGPSON-KRWDZBQOSA-N 0 0 480.587 1.593 20 0 JDADRN 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COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccn3C)n2C[C@]2(OC)CCOC2)C1 ZINC001504932763 1071944517 /nfs/dbraw/zinc/94/45/17/1071944517.db2.gz PNSPOLNUNIEQMH-PMAPCBKXSA-N 0 0 460.579 1.457 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccn3)CCC2)CC1 ZINC001504933787 1071948492 /nfs/dbraw/zinc/94/84/92/1071948492.db2.gz PKYPHUQFEIITHF-UHFFFAOYSA-N 0 0 483.617 1.912 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001503634712 1071945144 /nfs/dbraw/zinc/94/51/44/1071945144.db2.gz VUIWCZZWXJZYHR-LJQANCHMSA-N 0 0 487.586 1.325 20 0 JDADRN CN(CCOCC1CC1)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001503634731 1071945190 /nfs/dbraw/zinc/94/51/90/1071945190.db2.gz PCYFZPLKRUBAMG-KRWDZBQOSA-N 0 0 451.568 1.939 20 0 JDADRN CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001503634824 1071945215 /nfs/dbraw/zinc/94/52/15/1071945215.db2.gz GBLYVMMZJHOLPS-SJLPKXTDSA-N 0 0 499.659 1.227 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@@H](C)C2)C1 ZINC001504933067 1071945214 /nfs/dbraw/zinc/94/52/14/1071945214.db2.gz QJLOZAXMMVDOTL-FSGKZVOOSA-N 0 0 476.622 1.802 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001503634735 1071945280 /nfs/dbraw/zinc/94/52/80/1071945280.db2.gz WGALLTLTDWSCMP-UHFFFAOYSA-N 0 0 454.556 1.996 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCO[C@@H]1CCOC1 ZINC001503634910 1071945768 /nfs/dbraw/zinc/94/57/68/1071945768.db2.gz DHEHWNUXLTVMLC-OAHLLOKOSA-N 0 0 476.559 1.270 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCOCC1 ZINC001503634945 1071945793 /nfs/dbraw/zinc/94/57/93/1071945793.db2.gz JBOJPEQWRPOMDY-UHFFFAOYSA-N 0 0 461.632 1.951 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 ZINC001503635020 1071946293 /nfs/dbraw/zinc/94/62/93/1071946293.db2.gz GHOSCYLEQGMVCB-INIZCTEOSA-N 0 0 470.665 1.072 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 ZINC001503635223 1071946324 /nfs/dbraw/zinc/94/63/24/1071946324.db2.gz GIAXJSFOWRQRKU-CQSZACIVSA-N 0 0 451.574 1.342 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001503635172 1071946384 /nfs/dbraw/zinc/94/63/84/1071946384.db2.gz SQYCMLDXJCUHIN-UHFFFAOYSA-N 0 0 497.931 1.449 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COC)c2)CC1 ZINC001504933311 1071946424 /nfs/dbraw/zinc/94/64/24/1071946424.db2.gz MPYTYWUNERIPRV-UHFFFAOYSA-N 0 0 484.601 1.688 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(N2CCOCC2)n1 ZINC001503635869 1071948286 /nfs/dbraw/zinc/94/82/86/1071948286.db2.gz QEUDLRWOCBVTFR-UHFFFAOYSA-N 0 0 492.005 1.754 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001504933639 1071946529 /nfs/dbraw/zinc/94/65/29/1071946529.db2.gz SUAALKIRKXEQJO-MISYRCLQSA-N 0 0 492.621 1.628 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)F)C1 ZINC001504933476 1071946541 /nfs/dbraw/zinc/94/65/41/1071946541.db2.gz RPCHYCKFLZJCJU-HUUCEWRRSA-N 0 0 482.507 1.833 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 ZINC001503635056 1071946555 /nfs/dbraw/zinc/94/65/55/1071946555.db2.gz PWWQYLCIHLVZTL-KRWDZBQOSA-N 0 0 485.994 1.148 20 0 JDADRN CN(CCOCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 ZINC001503635524 1071946996 /nfs/dbraw/zinc/94/69/96/1071946996.db2.gz NIOWIUHEIUCTAA-UHFFFAOYSA-N 0 0 470.574 1.416 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 ZINC001503635284 1071947006 /nfs/dbraw/zinc/94/70/06/1071947006.db2.gz HKAYTSGIYXBOLR-SFHVURJKSA-N 0 0 457.560 1.159 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCCN2CCCCC2=O)C1 ZINC001504933702 1071947176 /nfs/dbraw/zinc/94/71/76/1071947176.db2.gz PAGUSPRQBKRICC-HSALFYBXSA-N 0 0 476.622 1.900 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cc3ccccc3o2)n1CCCNS(C)(=O)=O ZINC001503635687 1071947310 /nfs/dbraw/zinc/94/73/10/1071947310.db2.gz MZWUKOTVJLASSA-UHFFFAOYSA-N 0 0 455.562 1.111 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccn3C)n2CC[C@H]2COCCO2)C1 ZINC001504933939 1071948514 /nfs/dbraw/zinc/94/85/14/1071948514.db2.gz UOJDMCFMNAOSDU-OTWHNJEPSA-N 0 0 460.579 1.457 20 0 JDADRN CN(CCOCC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 ZINC001503635622 1071947690 /nfs/dbraw/zinc/94/76/90/1071947690.db2.gz XAGNYRXIQCLMTH-IAGOWNOFSA-N 0 0 491.705 1.322 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCc2cn[nH]c2)C1 ZINC001504933748 1071947742 /nfs/dbraw/zinc/94/77/42/1071947742.db2.gz TVYASKWNAJMOIU-MJGOQNOKSA-N 0 0 452.563 1.597 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001503635643 1071947853 /nfs/dbraw/zinc/94/78/53/1071947853.db2.gz JKCRONXBIRPAFM-KRWDZBQOSA-N 0 0 465.576 1.179 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F ZINC001503635633 1071947890 /nfs/dbraw/zinc/94/78/90/1071947890.db2.gz JCRPIUBMGWOKNS-CYBMUJFWSA-N 0 0 461.466 1.499 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001503635644 1071947910 /nfs/dbraw/zinc/94/79/10/1071947910.db2.gz JKCRONXBIRPAFM-QGZVFWFLSA-N 0 0 465.576 1.179 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2conc2COC)C1 ZINC001504933992 1071949030 /nfs/dbraw/zinc/94/90/30/1071949030.db2.gz UZRIVMHEDJDHGU-DLBZAZTESA-N 0 0 469.546 1.890 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001503636042 1071948967 /nfs/dbraw/zinc/94/89/67/1071948967.db2.gz NSFRQZJOKVWNTL-WOJBJXKFSA-N 0 0 463.604 1.336 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cc3ccccc3o2)n1CC1(S(C)(=O)=O)CC1 ZINC001503636105 1071949200 /nfs/dbraw/zinc/94/92/00/1071949200.db2.gz RBWWQLKWSSVHOY-UHFFFAOYSA-N 0 0 452.558 1.749 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001503636040 1071949229 /nfs/dbraw/zinc/94/92/29/1071949229.db2.gz NSFRQZJOKVWNTL-UXHICEINSA-N 0 0 463.604 1.336 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2conc2COC)C1 ZINC001504933999 1071949277 /nfs/dbraw/zinc/94/92/77/1071949277.db2.gz UZRIVMHEDJDHGU-SJORKVTESA-N 0 0 469.546 1.890 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCCOC3)n2CC(=O)NC2CCCCC2)C1 ZINC001504933980 1071949293 /nfs/dbraw/zinc/94/92/93/1071949293.db2.gz VPNNZRJUWUFOBS-VAMGGRTRSA-N 0 0 490.649 1.989 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001503636283 1071949671 /nfs/dbraw/zinc/94/96/71/1071949671.db2.gz PPIUBZLCXQPDEG-IAGOWNOFSA-N 0 0 467.567 1.136 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)Br ZINC001503636297 1071949685 /nfs/dbraw/zinc/94/96/85/1071949685.db2.gz PUJPDEFDAHWBLX-UHFFFAOYSA-N 0 0 470.296 1.474 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)coc2C)CC1 ZINC001504934125 1071949696 /nfs/dbraw/zinc/94/96/96/1071949696.db2.gz QPONAYBEZFXGIQ-UHFFFAOYSA-N 0 0 458.563 1.751 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F ZINC001503636320 1071949765 /nfs/dbraw/zinc/94/97/65/1071949765.db2.gz QIHUBUCLAYWBKL-GFCCVEGCSA-N 0 0 451.496 1.839 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)C1 ZINC001504934137 1071949817 /nfs/dbraw/zinc/94/98/17/1071949817.db2.gz QQQCCAPMUCKEJX-RCCFBDPRSA-N 0 0 488.564 1.642 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(F)c1 ZINC001503636508 1071950296 /nfs/dbraw/zinc/95/02/96/1071950296.db2.gz STJWQRBSXWJKMK-UHFFFAOYSA-N 0 0 480.591 1.906 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001504934300 1071950303 /nfs/dbraw/zinc/95/03/03/1071950303.db2.gz WSECVMAPLLJONP-MOPGFXCFSA-N 0 0 498.632 1.894 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(C)nn2C)C1 ZINC001504934287 1071950351 /nfs/dbraw/zinc/95/03/51/1071950351.db2.gz WQGJMUHMRXXFIC-IAGOWNOFSA-N 0 0 453.551 1.193 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CF)C1 ZINC001504934228 1071950377 /nfs/dbraw/zinc/95/03/77/1071950377.db2.gz WRPQZGRNDWDJEG-JZAWBGDQSA-N 0 0 457.572 1.078 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001503636521 1071950521 /nfs/dbraw/zinc/95/05/21/1071950521.db2.gz TUFLUJBOIDJSJI-BZSNNMDCSA-N 0 0 483.614 1.347 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2ccnc2C)C1 ZINC001504934272 1071950532 /nfs/dbraw/zinc/95/05/32/1071950532.db2.gz WJXGKENSXBILAS-XLIONFOSSA-N 0 0 452.563 1.913 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001503636748 1071951042 /nfs/dbraw/zinc/95/10/42/1071951042.db2.gz XDYNJFVWLNFTOL-GOSISDBHSA-N 0 0 457.560 1.003 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn(C2COC2)nn1 ZINC001503636793 1071951058 /nfs/dbraw/zinc/95/10/58/1071951058.db2.gz XKANCRKRVCFOOO-UHFFFAOYSA-N 0 0 486.385 1.944 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001503636783 1071951081 /nfs/dbraw/zinc/95/10/81/1071951081.db2.gz XOSALPVZKPLZHA-SFHVURJKSA-N 0 0 476.603 1.865 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001504934306 1071951039 /nfs/dbraw/zinc/95/10/39/1071951039.db2.gz WSECVMAPLLJONP-RTBURBONSA-N 0 0 498.632 1.894 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)c1ccco1 ZINC001503637791 1071954248 /nfs/dbraw/zinc/95/42/48/1071954248.db2.gz STGINHSAELXFNM-UWJYYQICSA-N 0 0 462.528 1.772 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(-c2cnccn2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001503636906 1071951759 /nfs/dbraw/zinc/95/17/59/1071951759.db2.gz YURAUJFYFGBLJH-UHFFFAOYSA-N 0 0 470.534 1.783 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CC2)CC1 ZINC001504934490 1071951874 /nfs/dbraw/zinc/95/18/74/1071951874.db2.gz SSXXBTCUNLRCTF-QHCPKHFHSA-N 0 0 471.562 1.065 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC1CCCCC1 ZINC001503637786 1071954346 /nfs/dbraw/zinc/95/43/46/1071954346.db2.gz SRMUJZXRWMVYNV-LJQANCHMSA-N 0 0 477.587 1.720 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)c1ccco1 ZINC001503637789 1071954395 /nfs/dbraw/zinc/95/43/95/1071954395.db2.gz STGINHSAELXFNM-LAUBAEHRSA-N 0 0 462.528 1.772 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001504934523 1071952005 /nfs/dbraw/zinc/95/20/05/1071952005.db2.gz UBENVYUTPBKSCL-NYUJMHJJSA-N 0 0 482.629 1.909 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2n[nH]c(C)n2)C1 ZINC001504934565 1071952075 /nfs/dbraw/zinc/95/20/75/1071952075.db2.gz XHVBVMQRLLELCI-WBVHZDCISA-N 0 0 453.551 1.377 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccco2)C1 ZINC001504934457 1071952134 /nfs/dbraw/zinc/95/21/34/1071952134.db2.gz XLVPFCWZTFSCSK-KURKYZTESA-N 0 0 474.562 1.173 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)CC1 ZINC001504934846 1071954382 /nfs/dbraw/zinc/95/43/82/1071954382.db2.gz BBEQANYKWGRQMD-UHFFFAOYSA-N 0 0 481.557 1.537 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@@H]2C)C1 ZINC001504934910 1071954408 /nfs/dbraw/zinc/95/44/08/1071954408.db2.gz VZKSJRXGGTXXPV-IYWMVGAKSA-N 0 0 464.611 1.218 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001503637041 1071952505 /nfs/dbraw/zinc/95/25/05/1071952505.db2.gz DEHMUIIRLJPCJW-MSOLQXFVSA-N 0 0 499.659 1.481 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1cccnc1-n1cccn1 ZINC001503637025 1071952525 /nfs/dbraw/zinc/95/25/25/1071952525.db2.gz CWXZJLMBJFAAAW-UHFFFAOYSA-N 0 0 452.544 1.374 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)CC1 ZINC001504934767 1071952588 /nfs/dbraw/zinc/95/25/88/1071952588.db2.gz USIGEEGUKVQOEL-UHFFFAOYSA-N 0 0 476.622 1.578 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)C1 ZINC001504934661 1071952728 /nfs/dbraw/zinc/95/27/28/1071952728.db2.gz XYLYMULQKXUYKD-OTWHNJEPSA-N 0 0 481.663 1.984 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001503637346 1071953011 /nfs/dbraw/zinc/95/30/11/1071953011.db2.gz LBSKCDADSXWJGC-QFIPXVFZSA-N 0 0 484.626 1.818 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)C1 ZINC001504934727 1071953148 /nfs/dbraw/zinc/95/31/48/1071953148.db2.gz YNNPKBYWDHNMRT-HMXCVIKNSA-N 0 0 489.642 1.904 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)(C)C)C1 ZINC001504934679 1071953263 /nfs/dbraw/zinc/95/32/63/1071953263.db2.gz YANATQJOIYQYPV-RTBURBONSA-N 0 0 485.633 1.936 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)(C)C)C1 ZINC001504934677 1071953288 /nfs/dbraw/zinc/95/32/88/1071953288.db2.gz YANATQJOIYQYPV-RBUKOAKNSA-N 0 0 485.633 1.936 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2o1 ZINC001503637506 1071953779 /nfs/dbraw/zinc/95/37/79/1071953779.db2.gz MDJMWASLDKMEOE-INIZCTEOSA-N 0 0 466.585 1.650 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1Cc1ccccc1C1OCCO1 ZINC001503637572 1071953911 /nfs/dbraw/zinc/95/39/11/1071953911.db2.gz OHPLAMGIDBVKHR-UHFFFAOYSA-N 0 0 457.556 1.838 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(COC)cc2)CC1 ZINC001504934793 1071954041 /nfs/dbraw/zinc/95/40/41/1071954041.db2.gz AGLKMBYIUHDUBN-FQEVSTJZSA-N 0 0 470.574 1.403 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001503639416 1071956987 /nfs/dbraw/zinc/95/69/87/1071956987.db2.gz GTMUTPLXCBHSEO-FQELHTAISA-N 0 0 452.552 1.842 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1ccco1 ZINC001503639293 1071957071 /nfs/dbraw/zinc/95/70/71/1071957071.db2.gz OJZABEDLKQFUDA-NVXWUHKLSA-N 0 0 467.592 1.701 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2C)C1 ZINC001504935386 1071957220 /nfs/dbraw/zinc/95/72/20/1071957220.db2.gz ZYAYDZOMSBWKGU-INDMIFKZSA-N 0 0 457.579 1.775 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 ZINC001503639661 1071957417 /nfs/dbraw/zinc/95/74/17/1071957417.db2.gz JSIIPTVCGYZLJB-HZPDHXFCSA-N 0 0 470.621 1.316 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 ZINC001503639660 1071957547 /nfs/dbraw/zinc/95/75/47/1071957547.db2.gz JSIIPTVCGYZLJB-CVEARBPZSA-N 0 0 470.621 1.316 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCOc2ccccc21 ZINC001503640263 1071957601 /nfs/dbraw/zinc/95/76/01/1071957601.db2.gz SGQYJUORTBCMMU-QGZVFWFLSA-N 0 0 461.588 1.838 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(COc3ccccc3F)n2Cc2nncn2C)C1 ZINC001504935567 1071957865 /nfs/dbraw/zinc/95/78/65/1071957865.db2.gz YQLVFVVZUMMTNK-IRXDYDNUSA-N 0 0 486.552 1.541 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(COc3ccccc3F)n2Cc2nncn2C)C1 ZINC001504935569 1071957970 /nfs/dbraw/zinc/95/79/70/1071957970.db2.gz YQLVFVVZUMMTNK-SJORKVTESA-N 0 0 486.552 1.541 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nnn(C)n2)C1 ZINC001504935598 1071958160 /nfs/dbraw/zinc/95/81/60/1071958160.db2.gz YZEMHKRCVZIVOX-MJGOQNOKSA-N 0 0 467.578 1.003 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001504936009 1071960692 /nfs/dbraw/zinc/96/06/92/1071960692.db2.gz MKUVSGHUYQLAIW-JOCHJYFZSA-N 0 0 463.966 1.729 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001504936077 1071960760 /nfs/dbraw/zinc/96/07/60/1071960760.db2.gz NIMDWEPKCPCALP-KRWDZBQOSA-N 0 0 478.619 1.087 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 ZINC001503640943 1071958322 /nfs/dbraw/zinc/95/83/22/1071958322.db2.gz VYVNNUGZMQGYLG-UHFFFAOYSA-N 0 0 484.022 1.856 20 0 JDADRN CN1C(=O)N[C@H](C2CCN(c3nnc(-c4ccccc4Cl)n3CCS(C)(=O)=O)CC2)C1=O ZINC001503643118 1071960735 /nfs/dbraw/zinc/96/07/35/1071960735.db2.gz KEWQZXFMIFFPRR-MRXNPFEDSA-N 0 0 480.978 1.410 20 0 JDADRN CN1C(=O)C[C@H]2CN(c3nnc(-c4ccccc4Br)n3CCNS(C)(=O)=O)CC[C@H]21 ZINC001503643040 1071960744 /nfs/dbraw/zinc/96/07/44/1071960744.db2.gz HYJZDUQPYBPZQT-XJKSGUPXSA-N 0 0 497.419 1.314 20 0 JDADRN CN1C(=O)N[C@H](C2CCN(c3nnc(C(C)(C)C)n3CC(=O)NCCc3ccccc3)CC2)C1=O ZINC001503643130 1071960759 /nfs/dbraw/zinc/96/07/59/1071960759.db2.gz KHBCZXDCVJPARP-HXUWFJFHSA-N 0 0 481.601 1.701 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(O)c2)CC1 ZINC001504935628 1071958524 /nfs/dbraw/zinc/95/85/24/1071958524.db2.gz ZKDUFXYATCZKKI-UHFFFAOYSA-N 0 0 479.541 1.658 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 ZINC001504935719 1071958734 /nfs/dbraw/zinc/95/87/34/1071958734.db2.gz ISAACXYORCXTCL-UHFFFAOYSA-N 0 0 468.562 1.602 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1Cc1cn(C)nc1-c1ccccc1 ZINC001503641027 1071958830 /nfs/dbraw/zinc/95/88/30/1071958830.db2.gz XKRPZUVQSJHZSQ-UHFFFAOYSA-N 0 0 471.587 1.330 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001504936115 1071960939 /nfs/dbraw/zinc/96/09/39/1071960939.db2.gz PBHRTKCORJLXBC-YSIASYRMSA-N 0 0 476.622 1.804 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCOCC2)CC1 ZINC001504935824 1071959237 /nfs/dbraw/zinc/95/92/37/1071959237.db2.gz KHFCPDSHLJRYJR-UHFFFAOYSA-N 0 0 457.575 1.774 20 0 JDADRN CN1C(=O)C[C@H]2CN(c3nnc(CCc4ccccc4)n3CC(=O)NCC(F)(F)F)CC[C@H]21 ZINC001503642739 1071959453 /nfs/dbraw/zinc/95/94/53/1071959453.db2.gz AUVZMGZWSBQBFH-DLBZAZTESA-N 0 0 464.492 1.799 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO2)CC1 ZINC001504935833 1071959446 /nfs/dbraw/zinc/95/94/46/1071959446.db2.gz KRLRPVWCWSSEJM-AUSIDOKSSA-N 0 0 465.595 1.477 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H]2COCCO2)CC1 ZINC001504935850 1071960095 /nfs/dbraw/zinc/96/00/95/1071960095.db2.gz LBEKJJQAFKUTBC-OAQYLSRUSA-N 0 0 473.574 1.738 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001504935939 1071960107 /nfs/dbraw/zinc/96/01/07/1071960107.db2.gz MLSAMAXPEYYAMA-JGCGQSQUSA-N 0 0 462.620 1.866 20 0 JDADRN CN1C(=O)N[C@H](C2CCN(c3nnc([C@H]4CCCCO4)n3CCCOCC(F)F)CC2)C1=O ZINC001503642976 1071960053 /nfs/dbraw/zinc/96/00/53/1071960053.db2.gz FQGDQEAXPSKQCD-NVXWUHKLSA-N 0 0 470.521 1.958 20 0 JDADRN CN1C(=O)N[C@@H](C2CCN(c3nnc([C@H]4CCCCO4)n3CCCOCC(F)F)CC2)C1=O ZINC001503642978 1071960096 /nfs/dbraw/zinc/96/00/96/1071960096.db2.gz FQGDQEAXPSKQCD-WBVHZDCISA-N 0 0 470.521 1.958 20 0 JDADRN CN1C(=O)C[C@H]2CN(c3nnc(CN4CCCC4=O)n3CCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC001503642980 1071960222 /nfs/dbraw/zinc/96/02/22/1071960222.db2.gz FUUVGIQQUIZXQH-ZWKOTPCHSA-N 0 0 489.621 1.762 20 0 JDADRN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCS(C)(=O)=O ZINC001503638145 1071954971 /nfs/dbraw/zinc/95/49/71/1071954971.db2.gz CNRZHFXRMIQCMK-QFBILLFUSA-N 0 0 460.608 1.571 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(Cl)cc2Cl)n1CCn1cncn1 ZINC001503638141 1071955011 /nfs/dbraw/zinc/95/50/11/1071955011.db2.gz CLHLXJFUFACGNU-UHFFFAOYSA-N 0 0 474.374 1.936 20 0 JDADRN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001504934976 1071955406 /nfs/dbraw/zinc/95/54/06/1071955406.db2.gz ZDELYHDTLLREAP-MSOLQXFVSA-N 0 0 499.678 1.174 20 0 JDADRN CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OC(F)(F)F ZINC001503638328 1071955569 /nfs/dbraw/zinc/95/55/69/1071955569.db2.gz IFQGRKLUTQYDQR-UHFFFAOYSA-N 0 0 475.493 1.828 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(C)c2)CC1 ZINC001504935215 1071955890 /nfs/dbraw/zinc/95/58/90/1071955890.db2.gz CZXGYWHAEKZYOF-UHFFFAOYSA-N 0 0 453.547 1.715 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C ZINC001503638441 1071956096 /nfs/dbraw/zinc/95/60/96/1071956096.db2.gz GASIBHYYNKFBGR-GOSISDBHSA-N 0 0 453.551 1.841 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001503638564 1071956116 /nfs/dbraw/zinc/95/61/16/1071956116.db2.gz CEWHVZFLJWVNAB-ARFHVFGLSA-N 0 0 481.541 1.059 20 0 JDADRN CN(C[C@H]1CCCO1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 ZINC001503638539 1071956307 /nfs/dbraw/zinc/95/63/07/1071956307.db2.gz BJXDACMFDCNCMK-HLIPFELVSA-N 0 0 485.632 1.195 20 0 JDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CCCCC2)C1 ZINC001504935352 1071956454 /nfs/dbraw/zinc/95/64/54/1071956454.db2.gz ZSUXRPTYZKRVGQ-KHVVASAOSA-N 0 0 490.649 1.928 20 0 JDADRN CN1C(=O)N[C@@H](C2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)C(F)(F)F)CC2)C1=O ZINC001503643380 1071961353 /nfs/dbraw/zinc/96/13/53/1071961353.db2.gz OZYDVRAEAQCKEJ-OCCSQVGLSA-N 0 0 471.484 1.584 20 0 JDADRN Cn1cc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCCN2CCOC2=O)cn1 ZINC001503646190 1071966682 /nfs/dbraw/zinc/96/66/82/1071966682.db2.gz BELHPOWKBVKAHB-INIZCTEOSA-N 0 0 474.566 1.872 20 0 JDADRN Cn1cc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[C@@H]2COCCO2)cn1 ZINC001503646293 1071966695 /nfs/dbraw/zinc/96/66/95/1071966695.db2.gz BTZCRBGSWBEBJI-FUHWJXTLSA-N 0 0 461.567 1.835 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)CC1 ZINC001504936187 1071961459 /nfs/dbraw/zinc/96/14/59/1071961459.db2.gz RKDGHOWGRULKNF-UXHICEINSA-N 0 0 488.564 1.735 20 0 JDADRN COCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001504936169 1071961471 /nfs/dbraw/zinc/96/14/71/1071961471.db2.gz RDLFVOGFTWMMLR-ICSRJNTNSA-N 0 0 460.579 1.314 20 0 JDADRN 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/nfs/dbraw/zinc/21/41/14/1072214114.db2.gz HZDUYSSUFKIUII-RYRKJORJSA-N 0 0 476.544 1.990 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(F)c(C)c1 ZINC001505082960 1072215683 /nfs/dbraw/zinc/21/56/83/1072215683.db2.gz UXADQRSFNIZEKV-QRFRQXIXSA-N 0 0 481.594 1.968 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCNC(=O)OC(C)(C)C ZINC001505082942 1072215791 /nfs/dbraw/zinc/21/57/91/1072215791.db2.gz KFJBMXYZXIMFCD-PMPSAXMXSA-N 0 0 452.556 1.194 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCNC(=O)OC(C)(C)C ZINC001505082938 1072215879 /nfs/dbraw/zinc/21/58/79/1072215879.db2.gz KFJBMXYZXIMFCD-JYJNAYRXSA-N 0 0 452.556 1.194 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCNC(=O)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001505083034 1072216002 /nfs/dbraw/zinc/21/60/02/1072216002.db2.gz VINWXNOZZODYJH-GUYCJALGSA-N 0 0 454.453 1.791 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(OCCO)c(OC)c1 ZINC001505085172 1072222804 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/nfs/dbraw/zinc/21/75/41/1072217541.db2.gz NIZREOXHQBWPKD-AWYXGGJISA-N 0 0 489.642 1.986 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001505083454 1072217628 /nfs/dbraw/zinc/21/76/28/1072217628.db2.gz NIZREOXHQBWPKD-ZSXWKLBVSA-N 0 0 489.642 1.986 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@](C)(O)CCC(C)C ZINC001505083383 1072217685 /nfs/dbraw/zinc/21/76/85/1072217685.db2.gz XOHSFXMYYCBWHR-OZIGNCPNSA-N 0 0 487.667 1.659 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(=O)NC(C)C ZINC001505083623 1072218331 /nfs/dbraw/zinc/21/83/31/1072218331.db2.gz PLHXPJBHKPBPJS-UWJYYQICSA-N 0 0 458.563 1.559 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001505083981 1072219037 /nfs/dbraw/zinc/21/90/37/1072219037.db2.gz QMSZWHRFPGYGDA-FJIDUMEYSA-N 0 0 486.564 1.025 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001505083864 1072219205 /nfs/dbraw/zinc/21/92/05/1072219205.db2.gz AJPFWSIGJWALDU-WMZOPIPTSA-N 0 0 468.601 1.023 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CSCCS1 ZINC001505083964 1072219281 /nfs/dbraw/zinc/21/92/81/1072219281.db2.gz BUZJIDVYUCJDMD-MLHJIOFPSA-N 0 0 471.649 1.192 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](COC(C)C)C2)n1CC1(C(N)=O)CCCC1 ZINC001505084288 1072219841 /nfs/dbraw/zinc/21/98/41/1072219841.db2.gz CVGXHGIGGSUCOG-FHWLQOOXSA-N 0 0 465.595 1.678 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCn1cc(Cl)cn1 ZINC001505084049 1072219862 /nfs/dbraw/zinc/21/98/62/1072219862.db2.gz RGQMRHLAVNJSOW-ZVZYQTTQSA-N 0 0 451.959 1.609 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCn1cc(Cl)cn1 ZINC001505084048 1072220009 /nfs/dbraw/zinc/22/00/09/1072220009.db2.gz RGQMRHLAVNJSOW-HFTRVMKXSA-N 0 0 451.959 1.609 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001505084401 1072220796 /nfs/dbraw/zinc/22/07/96/1072220796.db2.gz FOQDXLBMSVJRLO-IEZWGBDMSA-N 0 0 498.506 1.806 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCNC(=O)c1cccs1 ZINC001505084544 1072220847 /nfs/dbraw/zinc/22/08/47/1072220847.db2.gz UPEITDNXJHGRRR-AYBZRNKSSA-N 0 0 476.603 1.551 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC[C@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001505084530 1072220901 /nfs/dbraw/zinc/22/09/01/1072220901.db2.gz LPFZDJUCCWTBFT-QZWWFDLISA-N 0 0 459.638 1.225 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@]1(C)COCCO1 ZINC001505084709 1072221264 /nfs/dbraw/zinc/22/12/64/1072221264.db2.gz WTXOHULUAXACMH-KRXQYRFLSA-N 0 0 450.458 1.575 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@]1(C)COCCO1 ZINC001505084707 1072221330 /nfs/dbraw/zinc/22/13/30/1072221330.db2.gz WTXOHULUAXACMH-JTOWHCCKSA-N 0 0 450.458 1.575 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1CCS(C)(=O)=O ZINC001505085052 1072221456 /nfs/dbraw/zinc/22/14/56/1072221456.db2.gz WDLCBMPQCDKDNN-PXNSSMCTSA-N 0 0 479.603 1.382 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001505084897 1072221489 /nfs/dbraw/zinc/22/14/89/1072221489.db2.gz ZKDHTCBITLOFEI-MANSERQUSA-N 0 0 485.651 1.677 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001505085092 1072221971 /nfs/dbraw/zinc/22/19/71/1072221971.db2.gz XIXVQCSMSRFLRL-OALUTQOASA-N 0 0 469.652 1.747 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCNC(=O)c1ccc(C)cc1 ZINC001505084936 1072222150 /nfs/dbraw/zinc/22/21/50/1072222150.db2.gz PATVCZLTYUBSIE-HZEGPAAWSA-N 0 0 457.575 1.948 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)(=O)CC2)n1CCc1c(F)cccc1F ZINC001505085456 1072223789 /nfs/dbraw/zinc/22/37/89/1072223789.db2.gz MJWIBPFDGBFMJA-KSSFIOAISA-N 0 0 456.515 1.758 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3nccn3C(F)F)CC[C@H]12 ZINC001505085760 1072224533 /nfs/dbraw/zinc/22/45/33/1072224533.db2.gz BMAVDJDBVBJJGT-XJFOESAGSA-N 0 0 459.523 1.247 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCc3c[nH]nc3C)CC[C@H]12 ZINC001505086189 1072225442 /nfs/dbraw/zinc/22/54/42/1072225442.db2.gz HMOJBZNXWGFXLJ-DZJNRPSUSA-N 0 0 451.597 1.271 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC(F)(F)Br ZINC001505085958 1072225468 /nfs/dbraw/zinc/22/54/68/1072225468.db2.gz PFZLEEOXUXNOQC-XEZPLFJOSA-N 0 0 467.311 1.986 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3ccc(OC)c(F)c3)CC[C@H]12 ZINC001505086402 1072226036 /nfs/dbraw/zinc/22/60/36/1072226036.db2.gz JVNZTRHMDFNLOI-XLNGHYISSA-N 0 0 467.567 1.803 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccnc(SC)c3)CC[C@H]12 ZINC001505086743 1072226543 /nfs/dbraw/zinc/22/65/43/1072226543.db2.gz PFEZSGQNZPWXJP-QMCVQRASSA-N 0 0 466.633 1.772 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@](C)(O)c3ccc(F)cc3)CC[C@H]12 ZINC001505086535 1072226812 /nfs/dbraw/zinc/22/68/12/1072226812.db2.gz MTQXNWGKDMMKHT-RIFRSIMTSA-N 0 0 481.594 1.654 20 0 JDADRN CON(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001505089019 1072230777 /nfs/dbraw/zinc/23/07/77/1072230777.db2.gz DPJSPFSLBJJJFD-LJQANCHMSA-N 0 0 466.608 1.550 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001505086883 1072227975 /nfs/dbraw/zinc/22/79/75/1072227975.db2.gz LZFLYVPTCUMQHA-ALYAQQCSSA-N 0 0 453.540 1.477 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC3(CCCC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001505087054 1072228241 /nfs/dbraw/zinc/22/82/41/1072228241.db2.gz YIWXHAPLSLUQBB-ROUUACIJSA-N 0 0 471.624 1.479 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(C(=O)N(C)C)CCCC3)CC[C@H]12 ZINC001505087463 1072228913 /nfs/dbraw/zinc/22/89/13/1072228913.db2.gz WUXYXKGSDZVBKP-WNRNVDISSA-N 0 0 482.651 1.256 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@@H]4COCCN4C(=O)OC(C)(C)C)n3CC(=O)NC(C)C)CC[C@H]12 ZINC001505088366 1072229712 /nfs/dbraw/zinc/22/97/12/1072229712.db2.gz DRGBJOGUBZTQSO-MANSERQUSA-N 0 0 492.621 1.830 20 0 JDADRN COC[C@H]1[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCCCCC3=O)CC[C@H]12 ZINC001505087542 1072229929 /nfs/dbraw/zinc/22/99/29/1072229929.db2.gz YRCBQAKPBXLXLX-INDMIFKZSA-N 0 0 482.651 1.400 20 0 JDADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001505085547 1072223858 /nfs/dbraw/zinc/22/38/58/1072223858.db2.gz NAMOSFRSDPIPJW-XCZFOBESSA-N 0 0 451.568 1.159 20 0 JDADRN CON(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 ZINC001505091147 1072231368 /nfs/dbraw/zinc/23/13/68/1072231368.db2.gz GZFOAASRYYRIJT-HNNXBMFYSA-N 0 0 452.556 1.672 20 0 JDADRN CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)C1 ZINC001505103198 1072238964 /nfs/dbraw/zinc/23/89/64/1072238964.db2.gz OYJYOOCUWYTJPD-IAGOWNOFSA-N 0 0 471.530 1.628 20 0 JDADRN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C ZINC001505095626 1072232247 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1072442682 /nfs/dbraw/zinc/44/26/82/1072442682.db2.gz UBYLKYVESIQWOT-NCXUSEDFSA-N 0 0 481.663 1.984 20 0 JDADRN C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@@H]1O ZINC001505272270 1072443265 /nfs/dbraw/zinc/44/32/65/1072443265.db2.gz IFFPZKUVDATOCT-BSIFCXSSSA-N 0 0 452.534 1.954 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)C[C@@H]1O ZINC001505272146 1072443284 /nfs/dbraw/zinc/44/32/84/1072443284.db2.gz GRYIKVWBHUQMRY-WCXIOVBPSA-N 0 0 459.638 1.104 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(F)F)c2)C[C@@H]1O ZINC001505272594 1072443660 /nfs/dbraw/zinc/44/36/60/1072443660.db2.gz RMWQEGQJMLULBA-AYOQOUSVSA-N 0 0 499.584 1.978 20 0 JDADRN C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C[C@@H]1O ZINC001505272470 1072443669 /nfs/dbraw/zinc/44/36/69/1072443669.db2.gz NHVPZDHRHIDTCQ-MMOPVJDHSA-N 0 0 452.534 1.954 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)N(C)C)C[C@@H]1O ZINC001505272664 1072443824 /nfs/dbraw/zinc/44/38/24/1072443824.db2.gz UWPRMFXABSKQOY-QZWWFDLISA-N 0 0 453.634 1.752 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2Cl)C[C@@H]1O ZINC001505272776 1072444319 /nfs/dbraw/zinc/44/43/19/1072444319.db2.gz YCKSJZIFGQUQJA-DQTJMLIDSA-N 0 0 469.007 1.948 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2COCCO2)C[C@@H]1O ZINC001505272729 1072444381 /nfs/dbraw/zinc/44/43/81/1072444381.db2.gz WYKCIXLKSLPFTJ-XWSJACJDSA-N 0 0 481.594 1.599 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C[C@@H]1O ZINC001505272788 1072444395 /nfs/dbraw/zinc/44/43/95/1072444395.db2.gz YGVOLXSVJJBWHD-XDNAFOTISA-N 0 0 451.568 1.830 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C[C@@H]1O ZINC001505272787 1072444471 /nfs/dbraw/zinc/44/44/71/1072444471.db2.gz YGVOLXSVJJBWHD-TVFCKZIOSA-N 0 0 451.568 1.830 20 0 JDADRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1O ZINC001505272829 1072445006 /nfs/dbraw/zinc/44/50/06/1072445006.db2.gz ZYFDCBXLLXAZFO-MCIONIFRSA-N 0 0 474.509 1.439 20 0 JDADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC2)CCN1C(=O)OC(C)(C)C ZINC001505273314 1072445049 /nfs/dbraw/zinc/44/50/49/1072445049.db2.gz VEURXTXSXPFPPY-OAHLLOKOSA-N 0 0 457.535 1.896 20 0 JDADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC001505273258 1072445081 /nfs/dbraw/zinc/44/50/81/1072445081.db2.gz SNUSTPXMSJOROZ-VFVRVIDISA-N 0 0 488.492 1.110 20 0 JDADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCOCC2)C[C@H]1C(F)(F)F ZINC001505273369 1072445403 /nfs/dbraw/zinc/44/54/03/1072445403.db2.gz XQUOHAJIFPNZJW-HUUCEWRRSA-N 0 0 481.479 1.809 20 0 JDADRN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001505273394 1072445444 /nfs/dbraw/zinc/44/54/44/1072445444.db2.gz YSVUVJZUIWLFIV-MRXNPFEDSA-N 0 0 450.584 1.880 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)CCN1C(=O)OC(C)(C)C ZINC001505273847 1072445507 /nfs/dbraw/zinc/44/55/07/1072445507.db2.gz IGBHUMBDSFVHRP-MRXNPFEDSA-N 0 0 481.623 1.621 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1F ZINC001505274259 1072445522 /nfs/dbraw/zinc/44/55/22/1072445522.db2.gz HTZJEHVCUUIDNS-RKVPGOIHSA-N 0 0 470.592 1.968 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CCN1C(=O)OC(C)(C)C ZINC001505275196 1072446205 /nfs/dbraw/zinc/44/62/05/1072446205.db2.gz QXHJANKWWGKYHE-CHWSQXEVSA-N 0 0 471.509 1.056 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CCN1C(=O)OC(C)(C)C ZINC001505275533 1072446586 /nfs/dbraw/zinc/44/65/86/1072446586.db2.gz UMPIZAQJWFWRSO-HZPDHXFCSA-N 0 0 452.556 1.074 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCS(C)(=O)=O)C[C@@H]1F ZINC001505275415 1072446618 /nfs/dbraw/zinc/44/66/18/1072446618.db2.gz ULVHJPMFFLVANZ-YPMHNXCESA-N 0 0 464.361 1.891 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1F ZINC001505277467 1072447266 /nfs/dbraw/zinc/44/72/66/1072447266.db2.gz CRNNZUJFMOEJDK-WCVJEAGWSA-N 0 0 476.557 1.996 20 0 JDADRN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCS(C)(=O)=O ZINC001505277767 1072447348 /nfs/dbraw/zinc/44/73/48/1072447348.db2.gz JTMSXQKHHBRHMI-QGZVFWFLSA-N 0 0 465.595 1.742 20 0 JDADRN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(CCOc2ccccc2)n1CCS(C)(=O)=O ZINC001505277465 1072447442 /nfs/dbraw/zinc/44/74/42/1072447442.db2.gz CPIZFFXQOZEXPL-LJQANCHMSA-N 0 0 477.631 1.634 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccn[nH]2)CCN1C(=O)OC(C)(C)C ZINC001505277501 1072447484 /nfs/dbraw/zinc/44/74/84/1072447484.db2.gz DNVCAZQQRGEWBH-NVXWUHKLSA-N 0 0 474.566 1.728 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C[C@H]1C(F)(F)F ZINC001505278286 1072448791 /nfs/dbraw/zinc/44/87/91/1072448791.db2.gz CWZZKCNSWCLJEO-RBSFLKMASA-N 0 0 467.583 1.864 20 0 JDADRN C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CCN1C(=O)OC(C)(C)C ZINC001505278370 1072448855 /nfs/dbraw/zinc/44/88/55/1072448855.db2.gz FDPAFXZMPHZYOU-IXDOHACOSA-N 0 0 491.593 1.954 20 0 JDADRN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001505279028 1072449955 /nfs/dbraw/zinc/44/99/55/1072449955.db2.gz BOIKLLHIYKCKDY-BZUAXINKSA-N 0 0 461.567 1.142 20 0 JDADRN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2COCCO2)C[C@H](C)O1 ZINC001505279313 1072449964 /nfs/dbraw/zinc/44/99/64/1072449964.db2.gz BQUDTNIGNZGIBK-SOLBZPMBSA-N 0 0 450.561 1.768 20 0 JDADRN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccn(C)n2)CCN1S(C)(=O)=O ZINC001505279424 1072450479 /nfs/dbraw/zinc/45/04/79/1072450479.db2.gz FFWZUTFBVPLKGY-ZDUSSCGKSA-N 0 0 497.423 1.298 20 0 JDADRN C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC001505279386 1072450485 /nfs/dbraw/zinc/45/04/85/1072450485.db2.gz AIAJVXPWRULAAS-BRWVUGGUSA-N 0 0 486.639 1.461 20 0 JDADRN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1)NC(=O)OC(C)(C)C ZINC001505279836 1072451049 /nfs/dbraw/zinc/45/10/49/1072451049.db2.gz FWHVACDTLMVNAN-CVEARBPZSA-N 0 0 479.607 1.562 20 0 JDADRN C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cncn2)CC1)NC(=O)OC(C)(C)C ZINC001505279899 1072451068 /nfs/dbraw/zinc/45/10/68/1072451068.db2.gz GQXCHSCVAAASDN-QGZVFWFLSA-N 0 0 487.609 1.822 20 0 JDADRN C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)C[C@@H]1F ZINC001505279902 1072451160 /nfs/dbraw/zinc/45/11/60/1072451160.db2.gz ZUBLRGPCSOFFHA-PVAVHDDUSA-N 0 0 466.558 1.907 20 0 JDADRN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001505280025 1072451201 /nfs/dbraw/zinc/45/12/01/1072451201.db2.gz ONHSCBMFDILACG-HZPDHXFCSA-N 0 0 499.576 1.395 20 0 JDADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)NC(=O)OC(C)(C)C ZINC001505280079 1072451590 /nfs/dbraw/zinc/45/15/90/1072451590.db2.gz IIWZEBOKKFGZMQ-OAHLLOKOSA-N 0 0 458.567 1.731 20 0 JDADRN C[C@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(C)(=O)=O)CCN1S(C)(=O)=O ZINC001505280167 1072451621 /nfs/dbraw/zinc/45/16/21/1072451621.db2.gz NKXGSNCOBAQPSE-KRWDZBQOSA-N 0 0 481.644 1.263 20 0 JDADRN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001505280147 1072451698 /nfs/dbraw/zinc/45/16/98/1072451698.db2.gz JRCZNNGMWBAIRG-CVEARBPZSA-N 0 0 469.608 1.710 20 0 JDADRN C[C@H]1CN(c2nnc(-c3ccccc3)n2CCCNC(=O)C2CCC2)CCN1S(C)(=O)=O ZINC001505280257 1072452257 /nfs/dbraw/zinc/45/22/57/1072452257.db2.gz AJBMJDADOXSTHL-KRWDZBQOSA-N 0 0 460.604 1.722 20 0 JDADRN C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1)NC(=O)OC(C)(C)C ZINC001505280917 1072452669 /nfs/dbraw/zinc/45/26/69/1072452669.db2.gz FZJNFFBMVGTDPX-ZBFHGGJFSA-N 0 0 489.556 1.398 20 0 JDADRN C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)NC(=O)OC(C)(C)C ZINC001505280845 1072452795 /nfs/dbraw/zinc/45/27/95/1072452795.db2.gz DZYDBPCVFJZWBV-ZIAGYGMSSA-N 0 0 451.572 1.493 20 0 JDADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001505280687 1072452830 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CCOC(=O)C1CCN(c2ccc(N3CC[C@H](N4CCOCC4)C[C@]3(C)C(=O)OC)nn2)CC1 ZINC001164701154 719861294 /nfs/dbraw/zinc/86/12/94/719861294.db2.gz JVTYFOLCPLKETD-YADARESESA-N 0 0 475.590 1.489 20 0 JDADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164698423 719861661 /nfs/dbraw/zinc/86/16/61/719861661.db2.gz CFLKYFNDVHEIHA-LAUBAEHRSA-N 0 0 452.577 1.099 20 0 JDADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164707577 719864299 /nfs/dbraw/zinc/86/42/99/719864299.db2.gz SZDDKOHCDNYPMQ-SJKOYZFVSA-N 0 0 482.937 1.160 20 0 JDADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001164707578 719864593 /nfs/dbraw/zinc/86/45/93/719864593.db2.gz SZDDKOHCDNYPMQ-YVEFUNNKSA-N 0 0 482.937 1.160 20 0 JDADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C(C)C)C2=O ZINC001164707822 719865400 /nfs/dbraw/zinc/86/54/00/719865400.db2.gz VSFHVRRXCNLJAK-SZNDQCEHSA-N 0 0 451.955 1.727 20 0 JDADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164708520 719867433 /nfs/dbraw/zinc/86/74/33/719867433.db2.gz ZQTHAMKMRLDTCL-MBSDFSHPSA-N 0 0 459.595 1.305 20 0 JDADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164708522 719867445 /nfs/dbraw/zinc/86/74/45/719867445.db2.gz ZQTHAMKMRLDTCL-WZONZLPQSA-N 0 0 459.595 1.305 20 0 JDADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164699833 719868178 /nfs/dbraw/zinc/86/81/78/719868178.db2.gz BSWBDQCTIKOEJB-PGRDOPGGSA-N 0 0 466.604 1.489 20 0 JDADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164707786 719870140 /nfs/dbraw/zinc/87/01/40/719870140.db2.gz VKQXCJGBDHAXGU-UZUQRXQVSA-N 0 0 459.547 1.145 20 0 JDADRN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164704441 719870306 /nfs/dbraw/zinc/87/03/06/719870306.db2.gz MAYCCERKIXGZFD-SPEDKVCISA-N 0 0 468.620 1.781 20 0 JDADRN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164708228 719870373 /nfs/dbraw/zinc/87/03/73/719870373.db2.gz YWLQQRQTSHIWJQ-VGSWGCGISA-N 0 0 468.620 1.781 20 0 JDADRN CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164702288 719870456 /nfs/dbraw/zinc/87/04/56/719870456.db2.gz HXIRPGYSNFOPJZ-PGRDOPGGSA-N 0 0 468.620 1.781 20 0 JDADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001164707389 719873374 /nfs/dbraw/zinc/87/33/74/719873374.db2.gz SAEVCYYVRZVLRB-UTKZUKDTSA-N 0 0 452.577 1.099 20 0 JDADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001164707387 719873636 /nfs/dbraw/zinc/87/36/36/719873636.db2.gz SAEVCYYVRZVLRB-DYESRHJHSA-N 0 0 452.577 1.099 20 0 JDADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1Cl ZINC001164700274 719881915 /nfs/dbraw/zinc/88/19/15/719881915.db2.gz IXAUXXDLAXWRNJ-MRVWCRGKSA-N 0 0 482.875 1.979 20 0 JDADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164700298 719881919 /nfs/dbraw/zinc/88/19/19/719881919.db2.gz JIWDDLGVVBTWQT-MRVWCRGKSA-N 0 0 482.875 1.979 20 0 JDADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)n1 ZINC001164696783 719882358 /nfs/dbraw/zinc/88/23/58/719882358.db2.gz BFHBOPGIBNBRBG-JHJVBQTASA-N 0 0 453.881 1.868 20 0 JDADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)c1 ZINC001164697584 719883841 /nfs/dbraw/zinc/88/38/41/719883841.db2.gz CMKYGKJHQMWZTK-RTXFEEFZSA-N 0 0 488.904 1.055 20 0 JDADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164702827 719884146 /nfs/dbraw/zinc/88/41/46/719884146.db2.gz REFXVXSYKSHQDN-RTXFEEFZSA-N 0 0 452.849 1.506 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164708373 719902730 /nfs/dbraw/zinc/90/27/30/719902730.db2.gz BIRMYOLKUWESJY-UHFFFAOYSA-N 0 0 452.950 1.876 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164704753 719903286 /nfs/dbraw/zinc/90/32/86/719903286.db2.gz RCKJDYXEPVMRGW-UHFFFAOYSA-N 0 0 456.551 1.507 20 0 JDADRN COc1cccc2c1nc(Cl)nc2N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164709525 719906673 /nfs/dbraw/zinc/90/66/73/719906673.db2.gz XYPWPVALCFZHFV-UHFFFAOYSA-N 0 0 455.950 1.976 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164709667 719906716 /nfs/dbraw/zinc/90/67/16/719906716.db2.gz ZNHUYKFOUPDSCF-UHFFFAOYSA-N 0 0 476.585 1.150 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164709766 719907852 /nfs/dbraw/zinc/90/78/52/719907852.db2.gz ZUOYHMPZDNTJMQ-UHFFFAOYSA-N 0 0 474.569 1.046 20 0 JDADRN CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c1 ZINC001164709316 719913494 /nfs/dbraw/zinc/91/34/94/719913494.db2.gz SPRGTLFBYOHRIF-UHFFFAOYSA-N 0 0 474.009 1.901 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164708399 719914493 /nfs/dbraw/zinc/91/44/93/719914493.db2.gz CKCPCLOUADXMOQ-UHFFFAOYSA-N 0 0 476.919 1.907 20 0 JDADRN CCOC(=O)c1cc2ncnc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c2s1 ZINC001164708882 719916012 /nfs/dbraw/zinc/91/60/12/719916012.db2.gz LVCQEXXPPJBQBG-UHFFFAOYSA-N 0 0 469.571 1.552 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164708791 719916662 /nfs/dbraw/zinc/91/66/62/719916662.db2.gz QNVJWLLKVFCPQE-UHFFFAOYSA-N 0 0 469.590 1.242 20 0 JDADRN COc1cccc(Oc2cncc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)n2)c1 ZINC001164708427 719916911 /nfs/dbraw/zinc/91/69/11/719916911.db2.gz CYGNYFSMDYRKDY-UHFFFAOYSA-N 0 0 463.542 1.961 20 0 JDADRN COC(=O)c1cc2c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)[nH]c(Cl)cc-2n1 ZINC001164708704 719917794 /nfs/dbraw/zinc/91/77/94/719917794.db2.gz IEFLGHDBIMMKRA-UHFFFAOYSA-N 0 0 471.949 1.687 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164708629 719919311 /nfs/dbraw/zinc/91/93/11/719919311.db2.gz NPPLNYNVBAQCTF-UHFFFAOYSA-N 0 0 467.908 1.063 20 0 JDADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)c1 ZINC001164705925 719920123 /nfs/dbraw/zinc/92/01/23/719920123.db2.gz FYPFIVGWWXICBX-KWCYVHTRSA-N 0 0 480.921 1.180 20 0 JDADRN CC1CCN(C(=O)c2ccc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)nc2)CC1 ZINC001164708810 719922560 /nfs/dbraw/zinc/92/25/60/719922560.db2.gz RTCSSWVOTJNULG-UHFFFAOYSA-N 0 0 465.602 1.638 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164709043 719924710 /nfs/dbraw/zinc/92/47/10/719924710.db2.gz XAYZLZLXCFIJKQ-UHFFFAOYSA-N 0 0 455.897 1.281 20 0 JDADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164708601 719931777 /nfs/dbraw/zinc/93/17/77/719931777.db2.gz MSDHREDRSMVBSC-UHFFFAOYSA-N 0 0 458.570 1.711 20 0 JDADRN NC(=O)c1ccc(C(F)(F)N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)nc1Cl ZINC001164717298 720050344 /nfs/dbraw/zinc/05/03/44/720050344.db2.gz XUVYLXXYZNDJSR-PEYYIBSZSA-N 0 0 466.876 1.583 20 0 JDADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)n1 ZINC001164713272 720051084 /nfs/dbraw/zinc/05/10/84/720051084.db2.gz NVEFZDLKOXBABD-QEORTHHSSA-N 0 0 467.908 1.945 20 0 JDADRN O=C(N[C@@H]1CN(C(F)(F)COc2cncc(Cl)n2)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164711501 720055188 /nfs/dbraw/zinc/05/51/88/720055188.db2.gz IDSKVDYATWEDFH-SUYBPPKGSA-N 0 0 454.865 1.801 20 0 JDADRN CN(C)c1cc(C(F)(F)N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@H]3C2)nc(Cl)n1 ZINC001164713730 720056113 /nfs/dbraw/zinc/05/61/13/720056113.db2.gz PGWOVOPPQYEAET-DXCKQFNASA-N 0 0 467.908 1.945 20 0 JDADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCCO[C@H]2[C@@H](NC(=O)c2cnccn2)C1 ZINC001164713672 720056153 /nfs/dbraw/zinc/05/61/53/720056153.db2.gz OOLFVUWAGWVREM-HZUKXOBISA-N 0 0 454.865 1.887 20 0 JDADRN NC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1Cl ZINC001164715206 720080223 /nfs/dbraw/zinc/08/02/23/720080223.db2.gz ZGHYQMBWTCZDBN-ZQIUZPCESA-N 0 0 458.893 1.754 20 0 JDADRN NC(=O)c1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC(=O)N2CCCC2)nc1Cl ZINC001164715200 720080557 /nfs/dbraw/zinc/08/05/57/720080557.db2.gz ZGHYQMBWTCZDBN-KEYYUXOJSA-N 0 0 458.893 1.754 20 0 JDADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@H](OCC(=O)N3CCCC3)CC[C@H]21 ZINC001164712423 720085539 /nfs/dbraw/zinc/08/55/39/720085539.db2.gz PQDOKFUYWRPYSW-RKVPGOIHSA-N 0 0 458.893 1.754 20 0 JDADRN O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1nc2[nH]cnc2c(Cl)n1)N1CCCC1 ZINC001164713363 720085586 /nfs/dbraw/zinc/08/55/86/720085586.db2.gz SNTPYCOMLSRPLR-ZOWXZIJZSA-N 0 0 456.881 1.878 20 0 JDADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCc3nnc(Cn4cccc4)n3CC2)c1 ZINC001164710038 720090353 /nfs/dbraw/zinc/09/03/53/720090353.db2.gz GCMYWEDHXGZWER-UHFFFAOYSA-N 0 0 457.894 1.431 20 0 JDADRN CN(C)C(=O)N1CC2(CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164712408 720163035 /nfs/dbraw/zinc/16/30/35/720163035.db2.gz GJKACSZXXDSRPB-XLIONFOSSA-N 0 0 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