smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 ZINC000016599252 1072243828 /nfs/dbraw/zinc/24/38/28/1072243828.db2.gz PEYQOGXIZRIXQE-AWEZNQCLSA-N 0 3 384.440 -0.147 20 0 GBADHN CN(C)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 ZINC000016599253 1072243602 /nfs/dbraw/zinc/24/36/02/1072243602.db2.gz PEYQOGXIZRIXQE-CQSZACIVSA-N 0 3 384.440 -0.147 20 0 GBADHN CN(C)[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000022754498 1073903412 /nfs/dbraw/zinc/90/34/12/1073903412.db2.gz BNQXRJPODXOOQH-OAHLLOKOSA-N 0 3 398.467 -0.277 20 0 GBADHN CN(C)[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000022754503 1073903451 /nfs/dbraw/zinc/90/34/51/1073903451.db2.gz BNQXRJPODXOOQH-HNNXBMFYSA-N 0 3 398.467 -0.277 20 0 GBADHN O=C(NCCCN1CCN(CCCNC(=O)[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000023247538 1073517221 /nfs/dbraw/zinc/51/72/21/1073517221.db2.gz MGUGKOWZFDSUOJ-HDICACEKSA-N 0 3 396.532 -0.025 20 0 GBADHN CN(C)Cc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000024084408 1072384772 /nfs/dbraw/zinc/38/47/72/1072384772.db2.gz WRZIDZRXQYCRAB-UHFFFAOYSA-N 0 3 384.440 -0.188 20 0 GBADHN CN(C)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccccc1 ZINC000027581846 1072341178 /nfs/dbraw/zinc/34/11/78/1072341178.db2.gz SUZHADRLMZOCPY-OAHLLOKOSA-N 0 3 398.467 -0.277 20 0 GBADHN CN(C)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccccc1 ZINC000027581856 1072341589 /nfs/dbraw/zinc/34/15/89/1072341589.db2.gz SUZHADRLMZOCPY-HNNXBMFYSA-N 0 3 398.467 -0.277 20 0 GBADHN Cn1cnc2c1c(=O)n(CCCN1CCC(NC(=O)C3CC3)CC1)c(=O)n2C ZINC000030285140 1073932718 /nfs/dbraw/zinc/93/27/18/1073932718.db2.gz JLKZRDPFENXKKX-UHFFFAOYSA-N 0 3 388.472 -0.186 20 0 GBADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000032929962 221751917 /nfs/dbraw/zinc/75/19/17/221751917.db2.gz ZDLMHTUWGANYNX-NXEZZACHSA-N 0 3 393.487 -0.026 20 0 GBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000041641190 1073252889 /nfs/dbraw/zinc/25/28/89/1073252889.db2.gz LRAFMUCDHCFIHP-AWEZNQCLSA-N 0 3 386.460 -0.257 20 0 GBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000041641192 1073253130 /nfs/dbraw/zinc/25/31/30/1073253130.db2.gz LRAFMUCDHCFIHP-CQSZACIVSA-N 0 3 386.460 -0.257 20 0 GBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041711563 1072381118 /nfs/dbraw/zinc/38/11/18/1072381118.db2.gz VXEFSIUIROLNCI-CYBMUJFWSA-N 0 3 389.456 -0.312 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000041718103 1072380745 /nfs/dbraw/zinc/38/07/45/1072380745.db2.gz NYQGVWIHQOCLOK-UHFFFAOYSA-N 0 3 392.456 -0.069 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000041718127 1073253456 /nfs/dbraw/zinc/25/34/56/1073253456.db2.gz XWEUFPCARCZNFB-UHFFFAOYSA-N 0 3 386.460 -0.337 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2)CC1 ZINC000041718936 1072382192 /nfs/dbraw/zinc/38/21/92/1072382192.db2.gz NHAAEBUFGLDOLX-UHFFFAOYSA-N 0 3 392.456 -0.069 20 0 GBADHN CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000041722547 1073579675 /nfs/dbraw/zinc/57/96/75/1073579675.db2.gz ZHAVQRFJHHMRJK-UHFFFAOYSA-N 0 3 375.473 -0.033 20 0 GBADHN CCCNC(=O)C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000042686607 1073026503 /nfs/dbraw/zinc/02/65/03/1073026503.db2.gz UEOLQNSWRXBKAI-UHFFFAOYSA-N 0 3 376.461 -0.328 20 0 GBADHN O=C(CN1CCN(C2CCCC2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000045767903 1073036766 /nfs/dbraw/zinc/03/67/66/1073036766.db2.gz KFGJKVQOBWURIR-GOSISDBHSA-N 0 3 398.573 -0.122 20 0 GBADHN O=C(CN1CCN(C2CCCC2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000045767905 1073036916 /nfs/dbraw/zinc/03/69/16/1073036916.db2.gz KFGJKVQOBWURIR-SFHVURJKSA-N 0 3 398.573 -0.122 20 0 GBADHN O=C(CN(C[C@@H]1CCOC1)C1CC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000046092702 1073463154 /nfs/dbraw/zinc/46/31/54/1073463154.db2.gz JJNOIUBKSUTHGP-KRWDZBQOSA-N 0 3 394.516 -0.510 20 0 GBADHN O=C(CN(C[C@H]1CCOC1)C1CC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000046092703 1073463339 /nfs/dbraw/zinc/46/33/39/1073463339.db2.gz JJNOIUBKSUTHGP-QGZVFWFLSA-N 0 3 394.516 -0.510 20 0 GBADHN CC1CCN(CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000046370027 1072475733 /nfs/dbraw/zinc/47/57/33/1072475733.db2.gz UGJDEPNGOAMYRC-UHFFFAOYSA-N 0 3 395.504 -0.569 20 0 GBADHN CCN1CCN(CCCCNC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000046753933 530143360 /nfs/dbraw/zinc/14/33/60/530143360.db2.gz ASKVFEPXRSZAAM-UHFFFAOYSA-N 0 3 377.555 -0.015 20 0 GBADHN CCN1CCN(CCCCNC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000046754807 530107354 /nfs/dbraw/zinc/10/73/54/530107354.db2.gz ODKKVADTZVOCDB-UHFFFAOYSA-N 0 3 375.539 -0.309 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)cc1 ZINC000046761657 530081617 /nfs/dbraw/zinc/08/16/17/530081617.db2.gz FCPFLEPSOLSKGI-LBPRGKRZSA-N 0 3 390.483 -0.039 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)cc1 ZINC000046761659 530081862 /nfs/dbraw/zinc/08/18/62/530081862.db2.gz FCPFLEPSOLSKGI-GFCCVEGCSA-N 0 3 390.483 -0.039 20 0 GBADHN CN(C)[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)Cc1ccccc1 ZINC000047054301 1072237650 /nfs/dbraw/zinc/23/76/50/1072237650.db2.gz XLVOEFYCDOKUGE-OAHLLOKOSA-N 0 3 379.486 -0.013 20 0 GBADHN CN(C)[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)Cc1ccccc1 ZINC000047054303 1072237592 /nfs/dbraw/zinc/23/75/92/1072237592.db2.gz XLVOEFYCDOKUGE-HNNXBMFYSA-N 0 3 379.486 -0.013 20 0 GBADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(=O)n(CCOC)c2)CC1 ZINC000047962138 1070977967 /nfs/dbraw/zinc/97/79/67/1070977967.db2.gz POVOFWUTKOFYKQ-UHFFFAOYSA-N 0 3 393.488 -0.423 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000048017537 530086957 /nfs/dbraw/zinc/08/69/57/530086957.db2.gz XLIYGQPVRMNFQV-LLVKDONJSA-N 0 3 379.460 -0.443 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000048017539 530086742 /nfs/dbraw/zinc/08/67/42/530086742.db2.gz XLIYGQPVRMNFQV-NSHDSACASA-N 0 3 379.460 -0.443 20 0 GBADHN CC(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)S(C)(=O)=O ZINC000048112556 530087403 /nfs/dbraw/zinc/08/74/03/530087403.db2.gz OBQQQYAQRVOONJ-JTQLQIEISA-N 0 3 396.512 -0.182 20 0 GBADHN CC(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)S(C)(=O)=O ZINC000048112557 530087475 /nfs/dbraw/zinc/08/74/75/530087475.db2.gz OBQQQYAQRVOONJ-SNVBAGLBSA-N 0 3 396.512 -0.182 20 0 GBADHN COc1cc(CNCCC(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000048786519 1073017901 /nfs/dbraw/zinc/01/79/01/1073017901.db2.gz UDEVJJLHHPNQFI-UHFFFAOYSA-N 0 3 381.429 -0.094 20 0 GBADHN CCN1CCN(Cc2ccc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC000048842703 1072445018 /nfs/dbraw/zinc/44/50/18/1072445018.db2.gz YFNGGXWLNOZTMM-UHFFFAOYSA-N 0 3 385.468 -0.010 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000048974767 1072455579 /nfs/dbraw/zinc/45/55/79/1072455579.db2.gz REGWNGUOGVIGNZ-UHFFFAOYSA-N 0 3 375.473 -0.033 20 0 GBADHN CCCCCNC(=O)C(C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000049233228 1073176223 /nfs/dbraw/zinc/17/62/23/1073176223.db2.gz STKZEUJQDAHRED-LBPRGKRZSA-N 0 3 388.428 -0.161 20 0 GBADHN CCCCCNC(=O)C(C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000049233231 1073176232 /nfs/dbraw/zinc/17/62/32/1073176232.db2.gz STKZEUJQDAHRED-GFCCVEGCSA-N 0 3 388.428 -0.161 20 0 GBADHN COC(=O)COc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049277881 1073472941 /nfs/dbraw/zinc/47/29/41/1073472941.db2.gz GNHQROLQZMTJQC-UHFFFAOYSA-N 0 3 392.456 -0.069 20 0 GBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000049278630 1071033041 /nfs/dbraw/zinc/03/30/41/1071033041.db2.gz KILWPCOMIYSIAJ-UHFFFAOYSA-N 0 3 377.445 -0.757 20 0 GBADHN COCC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000049278691 1071033100 /nfs/dbraw/zinc/03/31/00/1071033100.db2.gz PSNZEAKQDXRUCD-UHFFFAOYSA-N 0 3 391.472 -0.036 20 0 GBADHN COC(=O)COc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000049278870 1073473018 /nfs/dbraw/zinc/47/30/18/1073473018.db2.gz CWSKLROZHDZKIZ-UHFFFAOYSA-N 0 3 392.456 -0.069 20 0 GBADHN CNC(=O)Cc1ccccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000049278970 1071032832 /nfs/dbraw/zinc/03/28/32/1071032832.db2.gz BSQXCFHFLXZKGD-UHFFFAOYSA-N 0 3 375.473 -0.333 20 0 GBADHN CN1C(=O)c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2C1=O ZINC000049279412 1073511567 /nfs/dbraw/zinc/51/15/67/1073511567.db2.gz MDYQGHDVRVJTHZ-UHFFFAOYSA-N 0 3 387.440 -0.395 20 0 GBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000049279731 1071032999 /nfs/dbraw/zinc/03/29/99/1071032999.db2.gz CNEGEZLSZFCSCO-UHFFFAOYSA-N 0 3 375.429 -0.290 20 0 GBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000049279794 1071032915 /nfs/dbraw/zinc/03/29/15/1071032915.db2.gz TYRJYHUWHQDTTO-UHFFFAOYSA-N 0 3 382.486 -0.218 20 0 GBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000049279820 1071032856 /nfs/dbraw/zinc/03/28/56/1071032856.db2.gz YLEAIPYLYXISGS-UHFFFAOYSA-N 0 3 388.472 -0.092 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000050165490 1073641958 /nfs/dbraw/zinc/64/19/58/1073641958.db2.gz OGBNRUMILUHVLM-UHFFFAOYSA-N 0 3 388.472 -0.431 20 0 GBADHN Cn1c2ncn(CC(=O)C(C#N)C(=O)NC3CCCCC3)c2c(=O)n(C)c1=O ZINC000050680714 1072532782 /nfs/dbraw/zinc/53/27/82/1072532782.db2.gz MRGXWWUNJVDZDL-GFCCVEGCSA-N 0 3 386.412 -0.409 20 0 GBADHN Cn1c2ncn(CC(=O)C(C#N)C(=O)NC3CCCCC3)c2c(=O)n(C)c1=O ZINC000050680715 1072532547 /nfs/dbraw/zinc/53/25/47/1072532547.db2.gz MRGXWWUNJVDZDL-LBPRGKRZSA-N 0 3 386.412 -0.409 20 0 GBADHN Cn1cnc2c1c(=O)n(CC(=O)C(C#N)C(=O)NC1CCCCC1)c(=O)n2C ZINC000050681612 1072532495 /nfs/dbraw/zinc/53/24/95/1072532495.db2.gz JACCAPLKLMWQPA-GFCCVEGCSA-N 0 3 386.412 -0.409 20 0 GBADHN Cn1cnc2c1c(=O)n(CC(=O)C(C#N)C(=O)NC1CCCCC1)c(=O)n2C ZINC000050681613 1072532901 /nfs/dbraw/zinc/53/29/01/1072532901.db2.gz JACCAPLKLMWQPA-LBPRGKRZSA-N 0 3 386.412 -0.409 20 0 GBADHN CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000051210174 1073689868 /nfs/dbraw/zinc/68/98/68/1073689868.db2.gz KNWNZDZSOSVFBV-UHFFFAOYSA-N 0 3 398.485 -0.057 20 0 GBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000051589593 530203820 /nfs/dbraw/zinc/20/38/20/530203820.db2.gz QMUOSYLFEYGJCK-GASCZTMLSA-N 0 3 376.523 -0.174 20 0 GBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051589594 530203744 /nfs/dbraw/zinc/20/37/44/530203744.db2.gz QMUOSYLFEYGJCK-HUUCEWRRSA-N 0 3 376.523 -0.174 20 0 GBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000051589595 530204275 /nfs/dbraw/zinc/20/42/75/530204275.db2.gz QMUOSYLFEYGJCK-GJZGRUSLSA-N 0 3 376.523 -0.174 20 0 GBADHN Cn1c2ncn(CCC(=O)C(C#N)C(=O)NC3CCCC3)c2c(=O)n(C)c1=O ZINC000051651969 1072349561 /nfs/dbraw/zinc/34/95/61/1072349561.db2.gz URLBDSIQZMOAPF-GFCCVEGCSA-N 0 3 386.412 -0.409 20 0 GBADHN Cn1c2ncn(CCC(=O)C(C#N)C(=O)NC3CCCC3)c2c(=O)n(C)c1=O ZINC000051651970 1072349527 /nfs/dbraw/zinc/34/95/27/1072349527.db2.gz URLBDSIQZMOAPF-LBPRGKRZSA-N 0 3 386.412 -0.409 20 0 GBADHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000051683419 1073778484 /nfs/dbraw/zinc/77/84/84/1073778484.db2.gz QWNWATAXVUFMDX-KRWDZBQOSA-N 0 3 375.473 -0.170 20 0 GBADHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000051683421 1073778588 /nfs/dbraw/zinc/77/85/88/1073778588.db2.gz QWNWATAXVUFMDX-QGZVFWFLSA-N 0 3 375.473 -0.170 20 0 GBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(C(=O)CN(C)C)CC2)C1 ZINC000051761889 1073842607 /nfs/dbraw/zinc/84/26/07/1073842607.db2.gz SZSDFGAGNIKRFR-QGZVFWFLSA-N 0 3 383.537 -0.835 20 0 GBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(C(=O)CN(C)C)CC2)C1 ZINC000051761891 1073842452 /nfs/dbraw/zinc/84/24/52/1073842452.db2.gz SZSDFGAGNIKRFR-KRWDZBQOSA-N 0 3 383.537 -0.835 20 0 GBADHN CN(C)Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000052364193 1072463373 /nfs/dbraw/zinc/46/33/73/1072463373.db2.gz JCCGQKSDKMPCJE-UHFFFAOYSA-N 0 3 398.485 -0.535 20 0 GBADHN CN1CCN(Cc2ccc(CNC(=O)Cn3ccc(=O)n(C)c3=O)cc2)CC1 ZINC000053237636 1073910434 /nfs/dbraw/zinc/91/04/34/1073910434.db2.gz AFTXBBQPBKIWNZ-UHFFFAOYSA-N 0 3 385.468 -0.389 20 0 GBADHN Cn1cnc2c1c(=O)n(CCCN1CCC(N3CCNC3=O)CC1)c(=O)n2C ZINC000053283870 1073367792 /nfs/dbraw/zinc/36/77/92/1073367792.db2.gz RDWCIRVTUOHEKJ-UHFFFAOYSA-N 0 3 389.460 -0.687 20 0 GBADHN Cn1c2ncn(CCN3CCC(C(=O)N4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000053846461 1073200556 /nfs/dbraw/zinc/20/05/56/1073200556.db2.gz YYUXJBJWQZJTOU-UHFFFAOYSA-N 0 3 388.472 -0.232 20 0 GBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000053875001 530346076 /nfs/dbraw/zinc/34/60/76/530346076.db2.gz DVYLJDIREDYNHP-NSHDSACASA-N 0 3 378.472 -0.339 20 0 GBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000053875003 530345990 /nfs/dbraw/zinc/34/59/90/530345990.db2.gz DVYLJDIREDYNHP-LLVKDONJSA-N 0 3 378.472 -0.339 20 0 GBADHN CN(CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000054281581 1073333412 /nfs/dbraw/zinc/33/34/12/1073333412.db2.gz UDZPEUPEZYUMNQ-UHFFFAOYSA-N 0 3 384.440 -0.318 20 0 GBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000054846524 1071228837 /nfs/dbraw/zinc/22/88/37/1071228837.db2.gz QYGPYPUASNJMIY-UHFFFAOYSA-N 0 3 390.488 -0.390 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000054851313 1071229232 /nfs/dbraw/zinc/22/92/32/1071229232.db2.gz BHYWQBKHZWRSHK-UHFFFAOYSA-N 0 3 390.488 -0.390 20 0 GBADHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)s1 ZINC000061061925 530108082 /nfs/dbraw/zinc/10/80/82/530108082.db2.gz CMFOMXBWWLWMPP-SECBINFHSA-N 0 3 375.476 -0.177 20 0 GBADHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000063761440 530108479 /nfs/dbraw/zinc/10/84/79/530108479.db2.gz RXOSQLJWOBNCLI-GASCZTMLSA-N 0 3 376.523 -0.174 20 0 GBADHN CN1CCN(CCCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000064033336 1073835168 /nfs/dbraw/zinc/83/51/68/1073835168.db2.gz XRGZFUSAPYWYDH-SFHVURJKSA-N 0 3 395.548 -0.689 20 0 GBADHN CCN1CCN(CCCCNC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000064253974 530108262 /nfs/dbraw/zinc/10/82/62/530108262.db2.gz SUODYDZBIOVYJY-UHFFFAOYSA-N 0 3 375.539 -0.261 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000067273468 1071540860 /nfs/dbraw/zinc/54/08/60/1071540860.db2.gz XIRMNWKZPXIFMW-BIWSTMPVSA-N 0 3 393.488 -0.186 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000067273470 1071540940 /nfs/dbraw/zinc/54/09/40/1071540940.db2.gz XIRMNWKZPXIFMW-SHYRYGCCSA-N 0 3 393.488 -0.186 20 0 GBADHN CC1CCN(C[C@H](O)CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000067612821 530109008 /nfs/dbraw/zinc/10/90/08/530109008.db2.gz RMHCTWDRDDJXAQ-OAHLLOKOSA-N 0 3 376.523 -0.198 20 0 GBADHN CC1CCN(C[C@@H](O)CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000067612825 530109002 /nfs/dbraw/zinc/10/90/02/530109002.db2.gz RMHCTWDRDDJXAQ-HNNXBMFYSA-N 0 3 376.523 -0.198 20 0 GBADHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000067634566 530108945 /nfs/dbraw/zinc/10/89/45/530108945.db2.gz RNBFCXJZPNJVSH-HUUCEWRRSA-N 0 3 376.523 -0.198 20 0 GBADHN CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000067634569 530412529 /nfs/dbraw/zinc/41/25/29/530412529.db2.gz RNBFCXJZPNJVSH-CABCVRRESA-N 0 3 376.523 -0.198 20 0 GBADHN CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000067634571 530412481 /nfs/dbraw/zinc/41/24/81/530412481.db2.gz RNBFCXJZPNJVSH-LSDHHAIUSA-N 0 3 376.523 -0.198 20 0 GBADHN CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000067634580 530412521 /nfs/dbraw/zinc/41/25/21/530412521.db2.gz RNBFCXJZPNJVSH-GJZGRUSLSA-N 0 3 376.523 -0.198 20 0 GBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000068220658 530109350 /nfs/dbraw/zinc/10/93/50/530109350.db2.gz GACUGUBDEXKTDQ-LBPRGKRZSA-N 0 3 389.499 -0.324 20 0 GBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000068220662 530109224 /nfs/dbraw/zinc/10/92/24/530109224.db2.gz GACUGUBDEXKTDQ-GFCCVEGCSA-N 0 3 389.499 -0.324 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)C[C@H](C)O1 ZINC000068348716 530109313 /nfs/dbraw/zinc/10/93/13/530109313.db2.gz KHCVOGVLRXGRIP-OKILXGFUSA-N 0 3 376.523 -0.270 20 0 GBADHN C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)C[C@H](C)O1 ZINC000068348719 530109429 /nfs/dbraw/zinc/10/94/29/530109429.db2.gz KHCVOGVLRXGRIP-KBPBESRZSA-N 0 3 376.523 -0.270 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)C[C@@H](C)O1 ZINC000068348723 530109342 /nfs/dbraw/zinc/10/93/42/530109342.db2.gz KHCVOGVLRXGRIP-ZIAGYGMSSA-N 0 3 376.523 -0.270 20 0 GBADHN O=C(CNC1(CO)CCOCC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000069248485 1072205191 /nfs/dbraw/zinc/20/51/91/1072205191.db2.gz BNGQYQPIPCXESD-HUUCEWRRSA-N 0 3 390.502 -0.688 20 0 GBADHN O=C(CNC1(CO)CCOCC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000069248490 1072352662 /nfs/dbraw/zinc/35/26/62/1072352662.db2.gz BNGQYQPIPCXESD-CABCVRRESA-N 0 3 390.502 -0.688 20 0 GBADHN O=C(CNC1(CO)CCOCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000069248492 1072354205 /nfs/dbraw/zinc/35/42/05/1072354205.db2.gz BNGQYQPIPCXESD-LSDHHAIUSA-N 0 3 390.502 -0.688 20 0 GBADHN O=C(CNC1(CO)CCOCC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000069248494 1072353844 /nfs/dbraw/zinc/35/38/44/1072353844.db2.gz BNGQYQPIPCXESD-GJZGRUSLSA-N 0 3 390.502 -0.688 20 0 GBADHN CN1CCN(CCCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000069261241 1072206055 /nfs/dbraw/zinc/20/60/55/1072206055.db2.gz XRGZFUSAPYWYDH-GOSISDBHSA-N 0 3 395.548 -0.689 20 0 GBADHN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C1)c(=O)n2C ZINC000069273867 1072573399 /nfs/dbraw/zinc/57/33/99/1072573399.db2.gz JCNFJAUBWQLCQT-OAHLLOKOSA-N 0 3 396.451 -0.176 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000069431662 637562248 /nfs/dbraw/zinc/56/22/48/637562248.db2.gz XAXOORRICXLHMU-CYBMUJFWSA-N 0 3 377.511 -0.832 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000069431667 637562589 /nfs/dbraw/zinc/56/25/89/637562589.db2.gz XAXOORRICXLHMU-ZDUSSCGKSA-N 0 3 377.511 -0.832 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000069431692 1072208427 /nfs/dbraw/zinc/20/84/27/1072208427.db2.gz XFKPWSBVHQSLGT-CYBMUJFWSA-N 0 3 391.538 -0.444 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000069443910 637562398 /nfs/dbraw/zinc/56/23/98/637562398.db2.gz LBTANNFQFZIOAV-UHFFFAOYSA-N 0 3 377.511 -0.879 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000069470455 1072210682 /nfs/dbraw/zinc/21/06/82/1072210682.db2.gz ZRQSXJFPXPRZJT-UHFFFAOYSA-N 0 3 391.538 -0.490 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)N1CCCC1 ZINC000070966535 1072442103 /nfs/dbraw/zinc/44/21/03/1072442103.db2.gz NWZLJARUQKEVIK-NSHDSACASA-N 0 3 388.428 -0.829 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)N1CCCC1 ZINC000070966544 1072442359 /nfs/dbraw/zinc/44/23/59/1072442359.db2.gz NWZLJARUQKEVIK-LLVKDONJSA-N 0 3 388.428 -0.829 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000074658577 1072391533 /nfs/dbraw/zinc/39/15/33/1072391533.db2.gz LKVCLPOLWBNPQF-QGZVFWFLSA-N 0 3 382.553 -0.277 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000074658580 1072390939 /nfs/dbraw/zinc/39/09/39/1072390939.db2.gz LKVCLPOLWBNPQF-KRWDZBQOSA-N 0 3 382.553 -0.277 20 0 GBADHN O=C(CN1CCC(CO)CC1)NCCCN1CCN(c2ncccn2)CC1 ZINC000076652287 1071645491 /nfs/dbraw/zinc/64/54/91/1071645491.db2.gz PXJZXBRGDCXEBV-UHFFFAOYSA-N 0 3 376.505 -0.191 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000077644317 1072531978 /nfs/dbraw/zinc/53/19/78/1072531978.db2.gz CSYRFIUJYKFBIW-UHFFFAOYSA-N 0 3 382.553 -0.134 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000079125647 1072422728 /nfs/dbraw/zinc/42/27/28/1072422728.db2.gz JCGUBPBPXJSTJA-QGZVFWFLSA-N 0 3 382.553 -0.232 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000079125649 1072423112 /nfs/dbraw/zinc/42/31/12/1072423112.db2.gz JCGUBPBPXJSTJA-KRWDZBQOSA-N 0 3 382.553 -0.232 20 0 GBADHN Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000081347739 1072550376 /nfs/dbraw/zinc/55/03/76/1072550376.db2.gz HNUQJDCHXXAEHN-UHFFFAOYSA-N 0 3 377.493 -0.678 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CN(C)Cc2nnc(C)n2C)CC1 ZINC000081348914 1072550794 /nfs/dbraw/zinc/55/07/94/1072550794.db2.gz SFDUERRXOMDDON-UHFFFAOYSA-N 0 3 379.509 -0.432 20 0 GBADHN CN(C)c1ncc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000083738870 1072553039 /nfs/dbraw/zinc/55/30/39/1072553039.db2.gz MUGPEJGHBYPDOS-UHFFFAOYSA-N 0 3 377.493 -0.064 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1 ZINC000086429886 1072555053 /nfs/dbraw/zinc/55/50/53/1072555053.db2.gz SBNLPDGMKDONER-UHFFFAOYSA-N 0 3 375.477 -0.284 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1 ZINC000086430002 1072555160 /nfs/dbraw/zinc/55/51/60/1072555160.db2.gz CLKKWCJRFOGBPJ-UHFFFAOYSA-N 0 3 377.493 -0.038 20 0 GBADHN CN1CCN(c2ncc(CN3CCN(C(=O)CN4CCCC4)CC3)cn2)CC1 ZINC000093047003 1073331390 /nfs/dbraw/zinc/33/13/90/1073331390.db2.gz RHPUPAZPSULQEO-UHFFFAOYSA-N 0 3 387.532 -0.032 20 0 GBADHN CCN1CCN(CCCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000097261530 1072275211 /nfs/dbraw/zinc/27/52/11/1072275211.db2.gz OMGYEAROECKRHN-UHFFFAOYSA-N 0 3 388.472 -0.610 20 0 GBADHN Cc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000103122260 1073472996 /nfs/dbraw/zinc/47/29/96/1073472996.db2.gz VMABWMSHBLOVKX-UHFFFAOYSA-N 0 3 386.456 -0.050 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000103122466 1072982786 /nfs/dbraw/zinc/98/27/86/1072982786.db2.gz OPGYZSDTUMSXER-UHFFFAOYSA-N 0 3 390.488 -0.462 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000103449166 1073929556 /nfs/dbraw/zinc/92/95/56/1073929556.db2.gz OANSTMVGZOFBRJ-UHFFFAOYSA-N 0 3 392.504 -0.216 20 0 GBADHN CN1CCN(CCCCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000103854364 1073911224 /nfs/dbraw/zinc/91/12/24/1073911224.db2.gz FNXODWHFBKRAEF-UHFFFAOYSA-N 0 3 394.564 -0.036 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 ZINC000104415033 1073477290 /nfs/dbraw/zinc/47/72/90/1073477290.db2.gz ICALMIXEMSYYPF-UHFFFAOYSA-N 0 3 388.472 -0.114 20 0 GBADHN CN1CCN(CCCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000106156589 1072306012 /nfs/dbraw/zinc/30/60/12/1072306012.db2.gz DCUVTMSULSFENC-UHFFFAOYSA-N 0 3 381.502 -0.372 20 0 GBADHN CN1CCN(CCCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000106267270 1073367333 /nfs/dbraw/zinc/36/73/33/1073367333.db2.gz QMOZQVAFDCZHJL-UHFFFAOYSA-N 0 3 395.485 -0.478 20 0 GBADHN CCN1CCN([C@@H]2CCN(CC(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000107368789 1073253852 /nfs/dbraw/zinc/25/38/52/1073253852.db2.gz KLZLCASNGIBPSY-GOSISDBHSA-N 0 3 381.565 -0.075 20 0 GBADHN CCN1CCN([C@H]2CCN(CC(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000107368791 1073253560 /nfs/dbraw/zinc/25/35/60/1073253560.db2.gz KLZLCASNGIBPSY-SFHVURJKSA-N 0 3 381.565 -0.075 20 0 GBADHN CCN1CCN([C@@H]2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000107372078 1073521868 /nfs/dbraw/zinc/52/18/68/1073521868.db2.gz SBGNCMDSZQGMGC-GOSISDBHSA-N 0 3 377.533 -0.221 20 0 GBADHN CCN1CCN([C@H]2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000107372080 1073521954 /nfs/dbraw/zinc/52/19/54/1073521954.db2.gz SBGNCMDSZQGMGC-SFHVURJKSA-N 0 3 377.533 -0.221 20 0 GBADHN CCN(C(=O)[C@@H](C)Sc1nnnn1CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108115695 530360912 /nfs/dbraw/zinc/36/09/12/530360912.db2.gz YMNMKVSZVRLODN-VXGBXAGGSA-N 0 3 390.535 -0.249 20 0 GBADHN CCN(C(=O)[C@@H](C)Sc1nnnn1CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108115699 530360993 /nfs/dbraw/zinc/36/09/93/530360993.db2.gz YMNMKVSZVRLODN-NEPJUHHUSA-N 0 3 390.535 -0.249 20 0 GBADHN CCN(C(=O)[C@H](C)Sc1nnnn1CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108115703 530361073 /nfs/dbraw/zinc/36/10/73/530361073.db2.gz YMNMKVSZVRLODN-NWDGAFQWSA-N 0 3 390.535 -0.249 20 0 GBADHN CCN(C(=O)[C@H](C)Sc1nnnn1CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108115706 530360983 /nfs/dbraw/zinc/36/09/83/530360983.db2.gz YMNMKVSZVRLODN-RYUDHWBXSA-N 0 3 390.535 -0.249 20 0 GBADHN CCOC(=O)N1CCN(S(=O)(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000108927768 1073470833 /nfs/dbraw/zinc/47/08/33/1073470833.db2.gz NXGDRLMGLWXXDK-UHFFFAOYSA-N 0 3 391.538 -0.378 20 0 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ZINC000138621592 1072141468 /nfs/dbraw/zinc/14/14/68/1072141468.db2.gz SKUQAPJAZYWJIE-HUUCEWRRSA-N 0 3 375.477 -0.151 20 0 GBADHN Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000138621674 1072141529 /nfs/dbraw/zinc/14/15/29/1072141529.db2.gz SKUQAPJAZYWJIE-LSDHHAIUSA-N 0 3 375.477 -0.151 20 0 GBADHN C[C@@H]1CCCCN1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000138799152 530393784 /nfs/dbraw/zinc/39/37/84/530393784.db2.gz XRCWTMVVIRWCSC-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@H]1CCCCN1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000138799270 530393873 /nfs/dbraw/zinc/39/38/73/530393873.db2.gz XRCWTMVVIRWCSC-HNNXBMFYSA-N 0 3 375.539 -0.263 20 0 GBADHN CN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000139661803 1072567377 /nfs/dbraw/zinc/56/73/77/1072567377.db2.gz MBVQUYJWBOPHES-GFCCVEGCSA-N 0 3 399.473 -0.511 20 0 GBADHN CN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000139661937 1072568052 /nfs/dbraw/zinc/56/80/52/1072568052.db2.gz 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COCCN1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000140289405 1072898760 /nfs/dbraw/zinc/89/87/60/1072898760.db2.gz VDZJKHCSWKUOGM-UHFFFAOYSA-N 0 3 397.520 -0.717 20 0 GBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000140305950 530139789 /nfs/dbraw/zinc/13/97/89/530139789.db2.gz RIUYSYIZHOGZMR-UHFFFAOYSA-N 0 3 377.511 -0.769 20 0 GBADHN COCCN1CCC(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000140389011 1072568962 /nfs/dbraw/zinc/56/89/62/1072568962.db2.gz XNYPJXBUTPVADI-UHFFFAOYSA-N 0 3 381.477 -0.770 20 0 GBADHN COCCN1CCC(NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000140391609 1072272781 /nfs/dbraw/zinc/27/27/81/1072272781.db2.gz QAQVRDUPWZGQAW-AWEZNQCLSA-N 0 3 390.506 -0.910 20 0 GBADHN COCCN1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000140405082 1072568882 /nfs/dbraw/zinc/56/88/82/1072568882.db2.gz BJPDLAVCKMIONQ-UHFFFAOYSA-N 0 3 395.504 -0.427 20 0 GBADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000144483502 1072570163 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Cn1c2ncn(CCN3CCC[C@@H]3CN3CCOCC3)c2c(=O)n(C)c1=O ZINC000182360912 1073870252 /nfs/dbraw/zinc/87/02/52/1073870252.db2.gz LXVMFPXFCKHCEA-CQSZACIVSA-N 0 3 376.461 -0.770 20 0 GBADHN O=C(CCNC(=O)c1[nH]nc2c1CNCC2)N1CCN(c2ccccn2)CC1 ZINC000188750549 1073887581 /nfs/dbraw/zinc/88/75/81/1073887581.db2.gz LETXOQLACZKZGS-UHFFFAOYSA-N 0 3 383.456 -0.081 20 0 GBADHN C[NH+](C)CCN1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000193158524 530463577 /nfs/dbraw/zinc/46/35/77/530463577.db2.gz GCIZXIUSDSLYJO-UHFFFAOYSA-N 0 3 388.266 -0.995 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000242851264 1073815267 /nfs/dbraw/zinc/81/52/67/1073815267.db2.gz FZTQJHSGGQFOQE-AWEZNQCLSA-N 0 3 382.486 -0.597 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000242851265 1073816656 /nfs/dbraw/zinc/81/66/56/1073816656.db2.gz FZTQJHSGGQFOQE-CQSZACIVSA-N 0 3 382.486 -0.597 20 0 GBADHN CC[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C[C@H](C)O ZINC000247602795 1072515333 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396.469 -0.501 20 0 GBADHN N[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CCOCC1 ZINC000261609490 1073953666 /nfs/dbraw/zinc/95/36/66/1073953666.db2.gz BCEUOKZBOZETKS-MRXNPFEDSA-N 0 3 396.469 -0.501 20 0 GBADHN CCC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000261669808 530352969 /nfs/dbraw/zinc/35/29/69/530352969.db2.gz PDWIEIDNSZGARY-UHFFFAOYSA-N 0 3 376.504 -0.222 20 0 GBADHN C[NH2+][C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000261758426 530352975 /nfs/dbraw/zinc/35/29/75/530352975.db2.gz PXKOVEPHXPHEPN-GFCCVEGCSA-N 0 3 388.515 -0.127 20 0 GBADHN C[NH2+][C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000261758428 530352898 /nfs/dbraw/zinc/35/28/98/530352898.db2.gz PXKOVEPHXPHEPN-LBPRGKRZSA-N 0 3 388.515 -0.127 20 0 GBADHN COCCN(C(=O)CN1CCNC[C@@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000261781068 1073940361 /nfs/dbraw/zinc/94/03/61/1073940361.db2.gz PNOAAHSZFLGPLH-IAGOWNOFSA-N 0 3 396.513 -0.310 20 0 GBADHN COCCN(C(=O)CN1CCNC[C@H]1c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000261781070 1073940698 /nfs/dbraw/zinc/94/06/98/1073940698.db2.gz PNOAAHSZFLGPLH-IRXDYDNUSA-N 0 3 396.513 -0.310 20 0 GBADHN COCCN(C(=O)CN1CCNC[C@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000261781072 1073939368 /nfs/dbraw/zinc/93/93/68/1073939368.db2.gz PNOAAHSZFLGPLH-SJORKVTESA-N 0 3 396.513 -0.310 20 0 GBADHN COCC1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC[NH2+]CC1 ZINC000261782869 530211805 /nfs/dbraw/zinc/21/18/05/530211805.db2.gz SPLXAAPNNUTLIT-UHFFFAOYSA-N 0 3 389.250 -0.156 20 0 GBADHN COCCn1cc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000261841738 530352828 /nfs/dbraw/zinc/35/28/28/530352828.db2.gz ZYGKJIJGGSQUSU-GFCCVEGCSA-N 0 3 385.412 -0.356 20 0 GBADHN COCCn1cc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000261841740 530352945 /nfs/dbraw/zinc/35/29/45/530352945.db2.gz ZYGKJIJGGSQUSU-LBPRGKRZSA-N 0 3 385.412 -0.356 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000261958836 1073960107 /nfs/dbraw/zinc/96/01/07/1073960107.db2.gz AJQVFRVQZHNZMY-IBGZPJMESA-N 0 3 389.500 -0.454 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000261977095 530211744 /nfs/dbraw/zinc/21/17/44/530211744.db2.gz BTVKENQCAPQMAH-AWEZNQCLSA-N 0 3 390.893 -0.166 20 0 GBADHN COCCNCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000261986777 530353189 /nfs/dbraw/zinc/35/31/89/530353189.db2.gz KFIFXTULUDUQSO-UHFFFAOYSA-N 0 3 376.523 -0.124 20 0 GBADHN COC(=O)c1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc(S(C)(=O)=O)c1 ZINC000262009655 1073960707 /nfs/dbraw/zinc/96/07/07/1073960707.db2.gz FIOFXYFZZFXWSV-AWEZNQCLSA-N 0 3 385.442 -0.085 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000262053124 1073961797 /nfs/dbraw/zinc/96/17/97/1073961797.db2.gz IMQWUSAJXBQOFH-INIZCTEOSA-N 0 3 398.485 -0.255 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000262061877 1073961953 /nfs/dbraw/zinc/96/19/53/1073961953.db2.gz JEVVGPAKENUGQU-SFHVURJKSA-N 0 3 392.456 -0.038 20 0 GBADHN COCCNCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000262064021 530211702 /nfs/dbraw/zinc/21/17/02/530211702.db2.gz AMZIKKZPTZWNNX-UHFFFAOYSA-N 0 3 376.504 -0.282 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000262122549 1073962620 /nfs/dbraw/zinc/96/26/20/1073962620.db2.gz NKSMUQPSCYBNJP-KDOFPFPSSA-N 0 3 376.457 -0.118 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000262122551 1073962579 /nfs/dbraw/zinc/96/25/79/1073962579.db2.gz NKSMUQPSCYBNJP-KSSFIOAISA-N 0 3 376.457 -0.118 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262126307 1073962438 /nfs/dbraw/zinc/96/24/38/1073962438.db2.gz NRWSNPHQPGCGEJ-INIZCTEOSA-N 0 3 382.486 -0.381 20 0 GBADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000262132015 530353359 /nfs/dbraw/zinc/35/33/59/530353359.db2.gz MTUTWVKXXASYKU-UHFFFAOYSA-N 0 3 390.893 -0.222 20 0 GBADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1F ZINC000262147947 530353363 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GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c(C)c2)CC1 ZINC000275878592 1072459290 /nfs/dbraw/zinc/45/92/90/1072459290.db2.gz KSFOFXMDDAMVMZ-INIZCTEOSA-N 0 3 378.473 -0.113 20 0 GBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1=O ZINC000275888916 1072463470 /nfs/dbraw/zinc/46/34/70/1072463470.db2.gz HDLMNDYIYCBBRY-UHFFFAOYSA-N 0 3 378.429 -0.098 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCOCC(N)=O)c2)CC1 ZINC000275889084 1072463496 /nfs/dbraw/zinc/46/34/96/1072463496.db2.gz HIFJBZKOPWKGNH-UHFFFAOYSA-N 0 3 377.445 -0.615 20 0 GBADHN CNS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000275911046 1072471416 /nfs/dbraw/zinc/47/14/16/1072471416.db2.gz FIPJWFGNYSFSKN-CVEARBPZSA-N 0 3 384.502 -0.282 20 0 GBADHN CNS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000275911048 1072471255 /nfs/dbraw/zinc/47/12/55/1072471255.db2.gz FIPJWFGNYSFSKN-HOTGVXAUSA-N 0 3 384.502 -0.282 20 0 GBADHN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000275911050 1072471400 /nfs/dbraw/zinc/47/14/00/1072471400.db2.gz FIPJWFGNYSFSKN-HZPDHXFCSA-N 0 3 384.502 -0.282 20 0 GBADHN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000275911052 1072471328 /nfs/dbraw/zinc/47/13/28/1072471328.db2.gz FIPJWFGNYSFSKN-JKSUJKDBSA-N 0 3 384.502 -0.282 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000275918571 1072473206 /nfs/dbraw/zinc/47/32/06/1072473206.db2.gz SXPFRGYOQWMLJU-UHFFFAOYSA-N 0 3 381.458 -0.043 20 0 GBADHN CNC(=O)Cn1cnc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)n1 ZINC000275930441 1072480365 /nfs/dbraw/zinc/48/03/65/1072480365.db2.gz VQAYXAHJGNPYNF-UHFFFAOYSA-N 0 3 393.492 -0.067 20 0 GBADHN CNS(=O)(=O)CCNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000275940059 1072486712 /nfs/dbraw/zinc/48/67/12/1072486712.db2.gz IDLOISVTTNUEER-UHFFFAOYSA-N 0 3 397.545 -0.005 20 0 GBADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000275958691 1072489121 /nfs/dbraw/zinc/48/91/21/1072489121.db2.gz SFZYUPBWJSQFAT-UHFFFAOYSA-N 0 3 388.428 -0.877 20 0 GBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCNC(=O)CC3)ccc2oc1=O ZINC000275968355 1072492054 /nfs/dbraw/zinc/49/20/54/1072492054.db2.gz CROVIUYNHMIIQK-UHFFFAOYSA-N 0 3 389.412 -0.557 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000275976477 1072493169 /nfs/dbraw/zinc/49/31/69/1072493169.db2.gz DIMFPFSAVTZKNV-ROUUACIJSA-N 0 3 390.484 -0.283 20 0 GBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000275989594 1072502096 /nfs/dbraw/zinc/50/20/96/1072502096.db2.gz XIKJTPMEEQCWAC-AWEZNQCLSA-N 0 3 387.440 -0.836 20 0 GBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000275989597 1072502565 /nfs/dbraw/zinc/50/25/65/1072502565.db2.gz XIKJTPMEEQCWAC-CQSZACIVSA-N 0 3 387.440 -0.836 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000276000877 1072516833 /nfs/dbraw/zinc/51/68/33/1072516833.db2.gz WAXPKGJRMXFGNT-UHFFFAOYSA-N 0 3 392.500 -0.034 20 0 GBADHN NC(=O)COCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000276004367 1072520763 /nfs/dbraw/zinc/52/07/63/1072520763.db2.gz ZNQBDWYHSDZAFD-UHFFFAOYSA-N 0 3 394.497 -0.166 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCCO)c2)CC1 ZINC000276013418 1072530938 /nfs/dbraw/zinc/53/09/38/1072530938.db2.gz XKSGCPVUIHTPPI-UHFFFAOYSA-N 0 3 378.473 -0.030 20 0 GBADHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000276025961 1072536623 /nfs/dbraw/zinc/53/66/23/1072536623.db2.gz LAPNEXWATVSFPX-KRWDZBQOSA-N 0 3 378.473 -0.162 20 0 GBADHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000276025963 1072536809 /nfs/dbraw/zinc/53/68/09/1072536809.db2.gz LAPNEXWATVSFPX-QGZVFWFLSA-N 0 3 378.473 -0.162 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)CC1 ZINC000276050200 1072548728 /nfs/dbraw/zinc/54/87/28/1072548728.db2.gz KAJDQPCWZVPKTL-IRXDYDNUSA-N 0 3 376.457 -0.279 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCS(=O)(=O)NC)c2)CC1 ZINC000276065678 1072551691 /nfs/dbraw/zinc/55/16/91/1072551691.db2.gz GICUKIZULXUHED-UHFFFAOYSA-N 0 3 397.501 -0.568 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NN3CC(=O)N(C)C3=O)c2)CC1 ZINC000276075638 1072553497 /nfs/dbraw/zinc/55/34/97/1072553497.db2.gz LVOXHBJDIPLDHE-UHFFFAOYSA-N 0 3 388.428 -0.308 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276229773 1072590184 /nfs/dbraw/zinc/59/01/84/1072590184.db2.gz PQOGHALGSZRMJN-HNNXBMFYSA-N 0 3 387.440 -0.312 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276229779 1072589961 /nfs/dbraw/zinc/58/99/61/1072589961.db2.gz PQOGHALGSZRMJN-OAHLLOKOSA-N 0 3 387.440 -0.312 20 0 GBADHN COCCOCCOCCN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000276296000 1072595980 /nfs/dbraw/zinc/59/59/80/1072595980.db2.gz URNFLNHTTLVYLE-UHFFFAOYSA-N 0 3 383.449 -0.955 20 0 GBADHN CNS(=O)(=O)CCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000276310524 1072598220 /nfs/dbraw/zinc/59/82/20/1072598220.db2.gz SFMHDBZMTBPNIB-UHFFFAOYSA-N 0 3 384.502 -0.008 20 0 GBADHN NC(=O)[C@]1(O)CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000276441101 1072623526 /nfs/dbraw/zinc/62/35/26/1072623526.db2.gz LGVBYCXAPHIRIT-KRWDZBQOSA-N 0 3 399.469 -0.992 20 0 GBADHN NC(=O)[C@@]1(O)CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000276441108 1072624001 /nfs/dbraw/zinc/62/40/01/1072624001.db2.gz LGVBYCXAPHIRIT-QGZVFWFLSA-N 0 3 399.469 -0.992 20 0 GBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587594 1072178458 /nfs/dbraw/zinc/17/84/58/1072178458.db2.gz FZFUJSOUCCWAGA-GXTWGEPZSA-N 0 3 382.486 -0.079 20 0 GBADHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587597 1072178539 /nfs/dbraw/zinc/17/85/39/1072178539.db2.gz FZFUJSOUCCWAGA-JSGCOSHPSA-N 0 3 382.486 -0.079 20 0 GBADHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587599 1072178270 /nfs/dbraw/zinc/17/82/70/1072178270.db2.gz FZFUJSOUCCWAGA-OCCSQVGLSA-N 0 3 382.486 -0.079 20 0 GBADHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587601 1072178531 /nfs/dbraw/zinc/17/85/31/1072178531.db2.gz FZFUJSOUCCWAGA-TZMCWYRMSA-N 0 3 382.486 -0.079 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CC1=O ZINC000276714520 1072199938 /nfs/dbraw/zinc/19/99/38/1072199938.db2.gz DGTBLLASSWLZOP-HNNXBMFYSA-N 0 3 397.497 -0.521 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CC1=O ZINC000276714528 1072200262 /nfs/dbraw/zinc/20/02/62/1072200262.db2.gz DGTBLLASSWLZOP-OAHLLOKOSA-N 0 3 397.497 -0.521 20 0 GBADHN CCn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1=O ZINC000276715820 1072200910 /nfs/dbraw/zinc/20/09/10/1072200910.db2.gz RDFBYAOZOKRYEV-CABCVRRESA-N 0 3 390.488 -0.075 20 0 GBADHN CCn1nccc1N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1=O ZINC000276715825 1072201075 /nfs/dbraw/zinc/20/10/75/1072201075.db2.gz RDFBYAOZOKRYEV-GJZGRUSLSA-N 0 3 390.488 -0.075 20 0 GBADHN CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1=O ZINC000276715830 1072200983 /nfs/dbraw/zinc/20/09/83/1072200983.db2.gz RDFBYAOZOKRYEV-HUUCEWRRSA-N 0 3 390.488 -0.075 20 0 GBADHN CCn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1=O ZINC000276715835 1072201111 /nfs/dbraw/zinc/20/11/11/1072201111.db2.gz RDFBYAOZOKRYEV-LSDHHAIUSA-N 0 3 390.488 -0.075 20 0 GBADHN Cc1cc(NC(=O)C(=O)NC(CO)CO)cc(N2CCN(C(C)C)CC2)c1 ZINC000276947945 1072248160 /nfs/dbraw/zinc/24/81/60/1072248160.db2.gz KRVLEXYSYNVVGG-UHFFFAOYSA-N 0 3 378.473 -0.067 20 0 GBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276981783 1072256016 /nfs/dbraw/zinc/25/60/16/1072256016.db2.gz ZKXRFTFPHGLNNV-UHFFFAOYSA-N 0 3 381.385 -0.429 20 0 GBADHN COCCN1CC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000276999511 1072262104 /nfs/dbraw/zinc/26/21/04/1072262104.db2.gz YJLZVIJKMYCYAW-HNNXBMFYSA-N 0 3 385.486 -0.028 20 0 GBADHN COCCN1CC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000276999514 1072261956 /nfs/dbraw/zinc/26/19/56/1072261956.db2.gz YJLZVIJKMYCYAW-OAHLLOKOSA-N 0 3 385.486 -0.028 20 0 GBADHN Cc1cc(NC(=O)C(=O)NC[C@H](O)CO)cc(N2CCN(C(C)C)CC2)c1 ZINC000277046390 1072264757 /nfs/dbraw/zinc/26/47/57/1072264757.db2.gz ULHLKTHAKYQMAB-KRWDZBQOSA-N 0 3 378.473 -0.067 20 0 GBADHN Cc1cc(NC(=O)C(=O)NC[C@@H](O)CO)cc(N2CCN(C(C)C)CC2)c1 ZINC000277046394 1072264667 /nfs/dbraw/zinc/26/46/67/1072264667.db2.gz ULHLKTHAKYQMAB-QGZVFWFLSA-N 0 3 378.473 -0.067 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000277059113 1072264709 /nfs/dbraw/zinc/26/47/09/1072264709.db2.gz GZYCHNTVZANBRL-UHFFFAOYSA-N 0 3 385.490 -0.365 20 0 GBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000277197136 1072282487 /nfs/dbraw/zinc/28/24/87/1072282487.db2.gz WMSOEXPPYWWCFZ-UHFFFAOYSA-N 0 3 399.517 -0.056 20 0 GBADHN CC(=O)NCC(=O)NCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277241296 1072284768 /nfs/dbraw/zinc/28/47/68/1072284768.db2.gz COZNPEOLXJANKW-KRWDZBQOSA-N 0 3 376.457 -0.354 20 0 GBADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277241297 1072284503 /nfs/dbraw/zinc/28/45/03/1072284503.db2.gz COZNPEOLXJANKW-QGZVFWFLSA-N 0 3 376.457 -0.354 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277394008 1072301592 /nfs/dbraw/zinc/30/15/92/1072301592.db2.gz AUVNFLZLGALARF-CALCHBBNSA-N 0 3 376.457 -0.673 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC000277394009 1072301102 /nfs/dbraw/zinc/30/11/02/1072301102.db2.gz AUVNFLZLGALARF-IAGOWNOFSA-N 0 3 376.457 -0.673 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277394010 1072301091 /nfs/dbraw/zinc/30/10/91/1072301091.db2.gz AUVNFLZLGALARF-IRXDYDNUSA-N 0 3 376.457 -0.673 20 0 GBADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000277427132 1072306392 /nfs/dbraw/zinc/30/63/92/1072306392.db2.gz DIWSBBJBIWYUQB-BRWVUGGUSA-N 0 3 399.451 -0.167 20 0 GBADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000277427134 1072306539 /nfs/dbraw/zinc/30/65/39/1072306539.db2.gz DIWSBBJBIWYUQB-IKGGRYGDSA-N 0 3 399.451 -0.167 20 0 GBADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277427138 1072306118 /nfs/dbraw/zinc/30/61/18/1072306118.db2.gz DIWSBBJBIWYUQB-YESZJQIVSA-N 0 3 399.451 -0.167 20 0 GBADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277427142 1072306255 /nfs/dbraw/zinc/30/62/55/1072306255.db2.gz DIWSBBJBIWYUQB-ZACQAIPSSA-N 0 3 399.451 -0.167 20 0 GBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000277457536 1072310420 /nfs/dbraw/zinc/31/04/20/1072310420.db2.gz GUXPGWOSCSIFPB-UHFFFAOYSA-N 0 3 375.433 -0.352 20 0 GBADHN CN1C(=O)C(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000277468314 1072311076 /nfs/dbraw/zinc/31/10/76/1072311076.db2.gz MGZMMGLJHIWOAE-HNNXBMFYSA-N 0 3 388.424 -0.186 20 0 GBADHN CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000277468317 1072310712 /nfs/dbraw/zinc/31/07/12/1072310712.db2.gz MGZMMGLJHIWOAE-OAHLLOKOSA-N 0 3 388.424 -0.186 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c(C)c2)CC1 ZINC000277504162 1072321456 /nfs/dbraw/zinc/32/14/56/1072321456.db2.gz KMXHCDWVOKMLJA-CALCHBBNSA-N 0 3 376.457 -0.361 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)c(C)c2)CC1 ZINC000277504167 1072321253 /nfs/dbraw/zinc/32/12/53/1072321253.db2.gz KMXHCDWVOKMLJA-IAGOWNOFSA-N 0 3 376.457 -0.361 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c(C)c2)CC1 ZINC000277504174 1072321599 /nfs/dbraw/zinc/32/15/99/1072321599.db2.gz KMXHCDWVOKMLJA-IRXDYDNUSA-N 0 3 376.457 -0.361 20 0 GBADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000277637561 1072360648 /nfs/dbraw/zinc/36/06/48/1072360648.db2.gz XRADMXCDTSTUNH-HOTGVXAUSA-N 0 3 379.482 -0.220 20 0 GBADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000277637566 1072360680 /nfs/dbraw/zinc/36/06/80/1072360680.db2.gz XRADMXCDTSTUNH-HZPDHXFCSA-N 0 3 379.482 -0.220 20 0 GBADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277637570 1072361106 /nfs/dbraw/zinc/36/11/06/1072361106.db2.gz XRADMXCDTSTUNH-IYBDPMFKSA-N 0 3 379.482 -0.220 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)CC1=O ZINC000277796600 1072386540 /nfs/dbraw/zinc/38/65/40/1072386540.db2.gz XNSGCWHNGKORLA-BWDNZLRPSA-N 0 3 381.502 -0.538 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)CC1=O ZINC000277796606 1072386256 /nfs/dbraw/zinc/38/62/56/1072386256.db2.gz XNSGCWHNGKORLA-NGKZDAFWSA-N 0 3 381.502 -0.538 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)CC1=O ZINC000277796612 1072386512 /nfs/dbraw/zinc/38/65/12/1072386512.db2.gz XNSGCWHNGKORLA-QVKGSKLNSA-N 0 3 381.502 -0.538 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)CC1=O ZINC000277796618 1072386431 /nfs/dbraw/zinc/38/64/31/1072386431.db2.gz XNSGCWHNGKORLA-YBKWPNDMSA-N 0 3 381.502 -0.538 20 0 GBADHN Cn1c2ncn(CCC(=O)NC[C@@H]3CCCCN3C3CC3)c2c(=O)n(C)c1=O ZINC000277952295 1072409685 /nfs/dbraw/zinc/40/96/85/1072409685.db2.gz OYTLOFAUWKUTNC-AWEZNQCLSA-N 0 3 388.472 -0.043 20 0 GBADHN Cn1c2ncn(CCC(=O)NC[C@H]3CCCCN3C3CC3)c2c(=O)n(C)c1=O ZINC000277952304 1072409597 /nfs/dbraw/zinc/40/95/97/1072409597.db2.gz OYTLOFAUWKUTNC-CQSZACIVSA-N 0 3 388.472 -0.043 20 0 GBADHN Cc1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1S(N)(=O)=O ZINC000278132364 1072442268 /nfs/dbraw/zinc/44/22/68/1072442268.db2.gz WQRGRMZEFVWMKW-AWEZNQCLSA-N 0 3 382.486 -0.331 20 0 GBADHN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1S(N)(=O)=O ZINC000278132366 1072442312 /nfs/dbraw/zinc/44/23/12/1072442312.db2.gz WQRGRMZEFVWMKW-CQSZACIVSA-N 0 3 382.486 -0.331 20 0 GBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000278450260 1072508503 /nfs/dbraw/zinc/50/85/03/1072508503.db2.gz AORUEAPZPSNWKJ-CYBMUJFWSA-N 0 3 385.490 -0.590 20 0 GBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000278450262 1072508909 /nfs/dbraw/zinc/50/89/09/1072508909.db2.gz AORUEAPZPSNWKJ-ZDUSSCGKSA-N 0 3 385.490 -0.590 20 0 GBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000278514675 1072517755 /nfs/dbraw/zinc/51/77/55/1072517755.db2.gz PGAWGWLZBGYTEH-ISZGNANSSA-N 0 3 376.457 -0.191 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000278687625 530243339 /nfs/dbraw/zinc/24/33/39/530243339.db2.gz GSIBQAJVTKXBJE-UHFFFAOYSA-N 0 3 390.531 -0.490 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C[C@H](O)[C@@H](O)C2)c1 ZINC000278697019 530243254 /nfs/dbraw/zinc/24/32/54/530243254.db2.gz JLLQTAHMGLRHNO-KBPBESRZSA-N 0 3 391.877 -0.044 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278697032 530243241 /nfs/dbraw/zinc/24/32/41/530243241.db2.gz JLLQTAHMGLRHNO-OKILXGFUSA-N 0 3 391.877 -0.044 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C[C@@H](O)[C@H](O)C2)c1 ZINC000278697044 530243258 /nfs/dbraw/zinc/24/32/58/530243258.db2.gz JLLQTAHMGLRHNO-ZIAGYGMSSA-N 0 3 391.877 -0.044 20 0 GBADHN O=C(CCN1C[C@H](O)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000278705743 1072543706 /nfs/dbraw/zinc/54/37/06/1072543706.db2.gz JUWQKKZJXRVGIR-HOTGVXAUSA-N 0 3 383.470 -0.163 20 0 GBADHN O=C(CCN1C[C@@H](O)[C@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000278705756 1072543462 /nfs/dbraw/zinc/54/34/62/1072543462.db2.gz JUWQKKZJXRVGIR-HZPDHXFCSA-N 0 3 383.470 -0.163 20 0 GBADHN O=C(CCN1C[C@@H](O)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000278705766 1072543114 /nfs/dbraw/zinc/54/31/14/1072543114.db2.gz JUWQKKZJXRVGIR-IYBDPMFKSA-N 0 3 383.470 -0.163 20 0 GBADHN O=C(CCN1C[C@H](O)[C@@H](O)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000278745169 1072550739 /nfs/dbraw/zinc/55/07/39/1072550739.db2.gz LUUCYKZRACDXAC-HOTGVXAUSA-N 0 3 383.470 -0.163 20 0 GBADHN O=C(CCN1C[C@@H](O)[C@H](O)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000278745310 1072550866 /nfs/dbraw/zinc/55/08/66/1072550866.db2.gz LUUCYKZRACDXAC-HZPDHXFCSA-N 0 3 383.470 -0.163 20 0 GBADHN O=C(CCN1C[C@@H](O)[C@@H](O)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000278745317 1072550639 /nfs/dbraw/zinc/55/06/39/1072550639.db2.gz LUUCYKZRACDXAC-IYBDPMFKSA-N 0 3 383.470 -0.163 20 0 GBADHN COCCNc1nc(N[C@@H]2CC(=O)N(C)C2)nc(N[C@H]2CC(=O)N(C)C2)n1 ZINC000278773092 1072564035 /nfs/dbraw/zinc/56/40/35/1072564035.db2.gz OQQIJIMKQJIDGS-PHIMTYICSA-N 0 3 378.437 -0.785 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000278944992 1073625048 /nfs/dbraw/zinc/62/50/48/1073625048.db2.gz YSAJDHKEJMMLTG-UHFFFAOYSA-N 0 3 380.470 -0.172 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)CC1 ZINC000278968116 1073626926 /nfs/dbraw/zinc/62/69/26/1073626926.db2.gz HIRAPQDIHCLSKM-UHFFFAOYSA-N 0 3 390.448 -0.356 20 0 GBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000279220724 1073652576 /nfs/dbraw/zinc/65/25/76/1073652576.db2.gz PGAWGWLZBGYTEH-NNTXTVRGSA-N 0 3 376.457 -0.191 20 0 GBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000279478688 1073671555 /nfs/dbraw/zinc/67/15/55/1073671555.db2.gz NTDVOEVVACAIKV-OAHLLOKOSA-N 0 3 392.481 -0.179 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(=O)c1 ZINC000279815821 1073696385 /nfs/dbraw/zinc/69/63/85/1073696385.db2.gz LOYYIFBYQMOECP-JXFKEZNVSA-N 0 3 390.484 -0.327 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(=O)c1 ZINC000279815827 1073697016 /nfs/dbraw/zinc/69/70/16/1073697016.db2.gz LOYYIFBYQMOECP-OXJNMPFZSA-N 0 3 390.484 -0.327 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(=O)c1 ZINC000279815833 1073696763 /nfs/dbraw/zinc/69/67/63/1073696763.db2.gz LOYYIFBYQMOECP-OXQOHEQNSA-N 0 3 390.484 -0.327 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(=O)c1 ZINC000279815840 1073696500 /nfs/dbraw/zinc/69/65/00/1073696500.db2.gz LOYYIFBYQMOECP-UZLBHIALSA-N 0 3 390.484 -0.327 20 0 GBADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CCN1CCOC(C)(C)C1 ZINC000279828773 1073696541 /nfs/dbraw/zinc/69/65/41/1073696541.db2.gz ZHFBTXQIFHTHMP-UHFFFAOYSA-N 0 3 378.477 -0.524 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280113110 1073985449 /nfs/dbraw/zinc/98/54/49/1073985449.db2.gz UALHMBHJSUGTCU-FHLIZLRMSA-N 0 3 392.504 -0.539 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280113121 1073985352 /nfs/dbraw/zinc/98/53/52/1073985352.db2.gz UALHMBHJSUGTCU-JCGIZDLHSA-N 0 3 392.504 -0.539 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](CO)COC)cc2)CC1 ZINC000280380958 1073991732 /nfs/dbraw/zinc/99/17/32/1073991732.db2.gz HRWPRDFNPJEHBT-KRWDZBQOSA-N 0 3 378.473 -0.114 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](CO)COC)cc2)CC1 ZINC000280380961 1073991383 /nfs/dbraw/zinc/99/13/83/1073991383.db2.gz HRWPRDFNPJEHBT-QGZVFWFLSA-N 0 3 378.473 -0.114 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436491 1072154358 /nfs/dbraw/zinc/15/43/58/1072154358.db2.gz JQZHNUZTDMKGRV-JXFKEZNVSA-N 0 3 392.500 -0.033 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436494 1072154705 /nfs/dbraw/zinc/15/47/05/1072154705.db2.gz JQZHNUZTDMKGRV-OXJNMPFZSA-N 0 3 392.500 -0.033 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436499 1072154668 /nfs/dbraw/zinc/15/46/68/1072154668.db2.gz JQZHNUZTDMKGRV-OXQOHEQNSA-N 0 3 392.500 -0.033 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436502 1072154498 /nfs/dbraw/zinc/15/44/98/1072154498.db2.gz JQZHNUZTDMKGRV-UZLBHIALSA-N 0 3 392.500 -0.033 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280501997 1072155544 /nfs/dbraw/zinc/15/55/44/1072155544.db2.gz CFTRCMMHUZQEJN-GOSISDBHSA-N 0 3 386.460 -0.791 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280502001 1072155584 /nfs/dbraw/zinc/15/55/84/1072155584.db2.gz CFTRCMMHUZQEJN-SFHVURJKSA-N 0 3 386.460 -0.791 20 0 GBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC(CC(N)=O)C3)ccc2oc1=O ZINC000280533455 1072156108 /nfs/dbraw/zinc/15/61/08/1072156108.db2.gz UPXKQGFGWYIXBG-UHFFFAOYSA-N 0 3 389.412 -0.572 20 0 GBADHN 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CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000329102508 1073347976 /nfs/dbraw/zinc/34/79/76/1073347976.db2.gz FNWJMQXUBIMZDG-INIZCTEOSA-N 0 3 378.498 -0.131 20 0 GBADHN CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000329102509 1073347874 /nfs/dbraw/zinc/34/78/74/1073347874.db2.gz FNWJMQXUBIMZDG-MRXNPFEDSA-N 0 3 378.498 -0.131 20 0 GBADHN CO[C@H]1C[C@@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)N(C)C1 ZINC000329111744 1072403003 /nfs/dbraw/zinc/40/30/03/1072403003.db2.gz GWOUGDGNGXTTPM-ROUUACIJSA-N 0 3 395.548 -0.598 20 0 GBADHN CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)N(C)C1 ZINC000329116615 1073348729 /nfs/dbraw/zinc/34/87/29/1073348729.db2.gz IRCKCHSBCHSMGR-AJNGGQMLSA-N 0 3 387.502 -0.801 20 0 GBADHN CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)N(C)C1 ZINC000329116619 1073348774 /nfs/dbraw/zinc/34/87/74/1073348774.db2.gz IRCKCHSBCHSMGR-KBXIAJHMSA-N 0 3 387.502 -0.801 20 0 GBADHN CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)N(C)C1 ZINC000329116622 1073349396 /nfs/dbraw/zinc/34/93/96/1073349396.db2.gz IRCKCHSBCHSMGR-QPSCCSFWSA-N 0 3 387.502 -0.801 20 0 GBADHN CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)N(C)C1 ZINC000329116623 1073348402 /nfs/dbraw/zinc/34/84/02/1073348402.db2.gz IRCKCHSBCHSMGR-XGUBFFRZSA-N 0 3 387.502 -0.801 20 0 GBADHN CCn1cnnc1C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000329138063 1073350410 /nfs/dbraw/zinc/35/04/10/1073350410.db2.gz HZHBCKOXLKYWAR-UHFFFAOYSA-N 0 3 386.460 -0.075 20 0 GBADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000329147688 1073351332 /nfs/dbraw/zinc/35/13/32/1073351332.db2.gz BALVPXKCEJLMDF-INIZCTEOSA-N 0 3 382.505 -0.775 20 0 GBADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000329147689 1073350679 /nfs/dbraw/zinc/35/06/79/1073350679.db2.gz BALVPXKCEJLMDF-MRXNPFEDSA-N 0 3 382.505 -0.775 20 0 GBADHN CC(C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329295574 530289379 /nfs/dbraw/zinc/28/93/79/530289379.db2.gz SOLPYRGYACGMPC-NWDGAFQWSA-N 0 3 382.504 -0.539 20 0 GBADHN CC(C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329295578 530289212 /nfs/dbraw/zinc/28/92/12/530289212.db2.gz SOLPYRGYACGMPC-RYUDHWBXSA-N 0 3 382.504 -0.539 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[C@H]2C1 ZINC000329322438 1073359763 /nfs/dbraw/zinc/35/97/63/1073359763.db2.gz FMORJCQFTQWOJS-FXUDXRNXSA-N 0 3 399.513 -0.656 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[C@H]2C1 ZINC000329322440 1073359495 /nfs/dbraw/zinc/35/94/95/1073359495.db2.gz FMORJCQFTQWOJS-LVQVYYBASA-N 0 3 399.513 -0.656 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[C@H]2C1 ZINC000329322442 1073359780 /nfs/dbraw/zinc/35/97/80/1073359780.db2.gz FMORJCQFTQWOJS-XUWVNRHRSA-N 0 3 399.513 -0.656 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[C@H]2C1 ZINC000329322444 1073359607 /nfs/dbraw/zinc/35/96/07/1073359607.db2.gz FMORJCQFTQWOJS-YHUYYLMFSA-N 0 3 399.513 -0.656 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)[C@H]2C1 ZINC000329401487 1073362163 /nfs/dbraw/zinc/36/21/63/1073362163.db2.gz YDPATDFTGQAELO-HZMVEIRTSA-N 0 3 381.473 -0.286 20 0 GBADHN CN(CC(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1CCOCC1 ZINC000329439410 1073363988 /nfs/dbraw/zinc/36/39/88/1073363988.db2.gz MPSIHVJRNMPKGU-HDICACEKSA-N 0 3 396.532 -0.121 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)[C@H]2C1 ZINC000329546174 1072514763 /nfs/dbraw/zinc/51/47/63/1072514763.db2.gz OHRXRDKKEDMONL-FGTMMUONSA-N 0 3 394.516 -0.511 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)[C@H]2C1 ZINC000329546180 1072514991 /nfs/dbraw/zinc/51/49/91/1072514991.db2.gz OHRXRDKKEDMONL-OKZBNKHCSA-N 0 3 394.516 -0.511 20 0 GBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(CC3CCOCC3)CC2)cn1C ZINC000329589019 1073368593 /nfs/dbraw/zinc/36/85/93/1073368593.db2.gz NEAPHZFXHINNRG-UHFFFAOYSA-N 0 3 399.517 -0.422 20 0 GBADHN CS[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H]1N1CCCC1 ZINC000329769298 530290587 /nfs/dbraw/zinc/29/05/87/530290587.db2.gz FGQPNMSHDFADON-KBPBESRZSA-N 0 3 376.548 -0.060 20 0 GBADHN CS[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1N1CCCC1 ZINC000329769371 530290867 /nfs/dbraw/zinc/29/08/67/530290867.db2.gz FGQPNMSHDFADON-KGLIPLIRSA-N 0 3 376.548 -0.060 20 0 GBADHN CS[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H]1N1CCCC1 ZINC000329769373 530290774 /nfs/dbraw/zinc/29/07/74/530290774.db2.gz FGQPNMSHDFADON-UONOGXRCSA-N 0 3 376.548 -0.060 20 0 GBADHN CS[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1N1CCCC1 ZINC000329769375 530290840 /nfs/dbraw/zinc/29/08/40/530290840.db2.gz FGQPNMSHDFADON-ZIAGYGMSSA-N 0 3 376.548 -0.060 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(=O)c1 ZINC000329829274 1073384149 /nfs/dbraw/zinc/38/41/49/1073384149.db2.gz DPGNIPPLYJJNTP-FQEVSTJZSA-N 0 3 390.484 -0.326 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(=O)c1 ZINC000329829275 1073384068 /nfs/dbraw/zinc/38/40/68/1073384068.db2.gz DPGNIPPLYJJNTP-HXUWFJFHSA-N 0 3 390.484 -0.326 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C)CC1 ZINC000329830193 1072569177 /nfs/dbraw/zinc/56/91/77/1072569177.db2.gz JQNKQOWSNLOUQJ-AWEZNQCLSA-N 0 3 375.477 -0.206 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C)CC1 ZINC000329830194 1072568505 /nfs/dbraw/zinc/56/85/05/1072568505.db2.gz JQNKQOWSNLOUQJ-CQSZACIVSA-N 0 3 375.477 -0.206 20 0 GBADHN CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000329871185 1073386386 /nfs/dbraw/zinc/38/63/86/1073386386.db2.gz ANKKPZOVSRWAAC-UHFFFAOYSA-N 0 3 386.518 -0.577 20 0 GBADHN CN(C(=O)[C@@H]1CN(C)CCO1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000329914234 1073387791 /nfs/dbraw/zinc/38/77/91/1073387791.db2.gz XULSLUAMJPFYRN-KRWDZBQOSA-N 0 3 381.521 -0.986 20 0 GBADHN CN(C(=O)[C@H]1CN(C)CCO1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000329914237 1073388111 /nfs/dbraw/zinc/38/81/11/1073388111.db2.gz XULSLUAMJPFYRN-QGZVFWFLSA-N 0 3 381.521 -0.986 20 0 GBADHN CS(=O)(=O)N1CCN(CC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000329917338 1073388269 /nfs/dbraw/zinc/38/82/69/1073388269.db2.gz ZHMAEORFTHMPSE-UHFFFAOYSA-N 0 3 388.534 -0.866 20 0 GBADHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920672 530291329 /nfs/dbraw/zinc/29/13/29/530291329.db2.gz HBOCCRYLJLPKND-KBPBESRZSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920673 530291479 /nfs/dbraw/zinc/29/14/79/530291479.db2.gz HBOCCRYLJLPKND-KGLIPLIRSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920674 530291425 /nfs/dbraw/zinc/29/14/25/530291425.db2.gz HBOCCRYLJLPKND-UONOGXRCSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920675 530291416 /nfs/dbraw/zinc/29/14/16/530291416.db2.gz HBOCCRYLJLPKND-ZIAGYGMSSA-N 0 3 382.552 -0.482 20 0 GBADHN CC1CCN(CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000329929130 1073388800 /nfs/dbraw/zinc/38/88/00/1073388800.db2.gz NDCFTXGDOQCSEG-UHFFFAOYSA-N 0 3 387.550 -0.645 20 0 GBADHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943281 530291576 /nfs/dbraw/zinc/29/15/76/530291576.db2.gz HQDCGWJMLRQNID-KFWWJZLASA-N 0 3 396.579 -0.236 20 0 GBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943282 530291501 /nfs/dbraw/zinc/29/15/01/530291501.db2.gz HQDCGWJMLRQNID-QLFBSQMISA-N 0 3 396.579 -0.236 20 0 GBADHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943283 530291631 /nfs/dbraw/zinc/29/16/31/530291631.db2.gz HQDCGWJMLRQNID-RBSFLKMASA-N 0 3 396.579 -0.236 20 0 GBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943284 530291486 /nfs/dbraw/zinc/29/14/86/530291486.db2.gz HQDCGWJMLRQNID-ZNMIVQPWSA-N 0 3 396.579 -0.236 20 0 GBADHN COCCN1CCCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1=O ZINC000329964683 530291551 /nfs/dbraw/zinc/29/15/51/530291551.db2.gz TXRIPDKEHIBXTR-CYBMUJFWSA-N 0 3 376.475 -0.324 20 0 GBADHN COCCN1CCCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1=O ZINC000329964685 530291598 /nfs/dbraw/zinc/29/15/98/530291598.db2.gz TXRIPDKEHIBXTR-ZDUSSCGKSA-N 0 3 376.475 -0.324 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330055915 530291772 /nfs/dbraw/zinc/29/17/72/530291772.db2.gz VAYIEFLLFYKMKQ-UHFFFAOYSA-N 0 3 396.579 -0.785 20 0 GBADHN CCCN1CCC(N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330088596 530291819 /nfs/dbraw/zinc/29/18/19/530291819.db2.gz UYHXJZZDSPNKBL-UHFFFAOYSA-N 0 3 382.552 -0.385 20 0 GBADHN CCCN1CCC(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330136061 530292352 /nfs/dbraw/zinc/29/23/52/530292352.db2.gz HLLWRSJTZDENSY-UHFFFAOYSA-N 0 3 382.552 -0.480 20 0 GBADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000330139489 1073397072 /nfs/dbraw/zinc/39/70/72/1073397072.db2.gz WHVSASSERLFJRR-DOTOQJQBSA-N 0 3 379.505 -0.696 20 0 GBADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000330139490 1073397350 /nfs/dbraw/zinc/39/73/50/1073397350.db2.gz WHVSASSERLFJRR-NVXWUHKLSA-N 0 3 379.505 -0.696 20 0 GBADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000330139491 1073397244 /nfs/dbraw/zinc/39/72/44/1073397244.db2.gz WHVSASSERLFJRR-RDJZCZTQSA-N 0 3 379.505 -0.696 20 0 GBADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000330139492 1073397283 /nfs/dbraw/zinc/39/72/83/1073397283.db2.gz WHVSASSERLFJRR-WBVHZDCISA-N 0 3 379.505 -0.696 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000330139816 1073204616 /nfs/dbraw/zinc/20/46/16/1073204616.db2.gz WNXWZRJZNPZWCO-INIZCTEOSA-N 0 3 384.440 -0.444 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000330139817 1073205125 /nfs/dbraw/zinc/20/51/25/1073205125.db2.gz WNXWZRJZNPZWCO-MRXNPFEDSA-N 0 3 384.440 -0.444 20 0 GBADHN C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000330147610 530292291 /nfs/dbraw/zinc/29/22/91/530292291.db2.gz LYCBPSDIGUMLOC-KBPBESRZSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000330147611 530292266 /nfs/dbraw/zinc/29/22/66/530292266.db2.gz LYCBPSDIGUMLOC-KGLIPLIRSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000330147612 530292277 /nfs/dbraw/zinc/29/22/77/530292277.db2.gz LYCBPSDIGUMLOC-UONOGXRCSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000330147613 530292158 /nfs/dbraw/zinc/29/21/58/530292158.db2.gz LYCBPSDIGUMLOC-ZIAGYGMSSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)n1cccn1 ZINC000330149828 1073397873 /nfs/dbraw/zinc/39/78/73/1073397873.db2.gz KIYZKUHJNMAZHY-CVEARBPZSA-N 0 3 390.488 -0.333 20 0 GBADHN C[C@@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)n1cccn1 ZINC000330149829 1073397810 /nfs/dbraw/zinc/39/78/10/1073397810.db2.gz KIYZKUHJNMAZHY-HOTGVXAUSA-N 0 3 390.488 -0.333 20 0 GBADHN C[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1cccn1 ZINC000330149830 1073397410 /nfs/dbraw/zinc/39/74/10/1073397410.db2.gz KIYZKUHJNMAZHY-HZPDHXFCSA-N 0 3 390.488 -0.333 20 0 GBADHN C[C@@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1cccn1 ZINC000330149831 1073397468 /nfs/dbraw/zinc/39/74/68/1073397468.db2.gz KIYZKUHJNMAZHY-JKSUJKDBSA-N 0 3 390.488 -0.333 20 0 GBADHN CCS(=O)(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330150712 530292281 /nfs/dbraw/zinc/29/22/81/530292281.db2.gz NHQQYUVRMAMGDA-GFCCVEGCSA-N 0 3 382.504 -0.537 20 0 GBADHN CCS(=O)(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330150713 530292245 /nfs/dbraw/zinc/29/22/45/530292245.db2.gz NHQQYUVRMAMGDA-LBPRGKRZSA-N 0 3 382.504 -0.537 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000330161159 1073398927 /nfs/dbraw/zinc/39/89/27/1073398927.db2.gz SSUVICKZCDEHMR-AUUYWEPGSA-N 0 3 391.472 -0.324 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000330161160 1073398852 /nfs/dbraw/zinc/39/88/52/1073398852.db2.gz SSUVICKZCDEHMR-IFXJQAMLSA-N 0 3 391.472 -0.324 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000330161161 1073398373 /nfs/dbraw/zinc/39/83/73/1073398373.db2.gz SSUVICKZCDEHMR-KUHUBIRLSA-N 0 3 391.472 -0.324 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000330161162 1073398101 /nfs/dbraw/zinc/39/81/01/1073398101.db2.gz SSUVICKZCDEHMR-LIRRHRJNSA-N 0 3 391.472 -0.324 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000330161550 1073398958 /nfs/dbraw/zinc/39/89/58/1073398958.db2.gz TVCPKEMOUWBBGD-BZUAXINKSA-N 0 3 390.484 -0.073 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000330161551 1073398764 /nfs/dbraw/zinc/39/87/64/1073398764.db2.gz TVCPKEMOUWBBGD-HRCADAONSA-N 0 3 390.484 -0.073 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000330161552 1073398689 /nfs/dbraw/zinc/39/86/89/1073398689.db2.gz TVCPKEMOUWBBGD-OWCLPIDISA-N 0 3 390.484 -0.073 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000330161553 1073398636 /nfs/dbraw/zinc/39/86/36/1073398636.db2.gz TVCPKEMOUWBBGD-XHSDSOJGSA-N 0 3 390.484 -0.073 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000330164595 1073398266 /nfs/dbraw/zinc/39/82/66/1073398266.db2.gz WDHBNDIOLWGSEB-CYBMUJFWSA-N 0 3 377.470 -0.272 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000330164596 1073398231 /nfs/dbraw/zinc/39/82/31/1073398231.db2.gz WDHBNDIOLWGSEB-ZDUSSCGKSA-N 0 3 377.470 -0.272 20 0 GBADHN CS[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H]1N1CCCC1 ZINC000330183732 530292328 /nfs/dbraw/zinc/29/23/28/530292328.db2.gz QGCVLXRSEXEXJK-CABCVRRESA-N 0 3 390.575 -0.398 20 0 GBADHN CS[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H]1N1CCCC1 ZINC000330183733 530292180 /nfs/dbraw/zinc/29/21/80/530292180.db2.gz QGCVLXRSEXEXJK-GJZGRUSLSA-N 0 3 390.575 -0.398 20 0 GBADHN CS[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H]1N1CCCC1 ZINC000330183734 530292222 /nfs/dbraw/zinc/29/22/22/530292222.db2.gz QGCVLXRSEXEXJK-HUUCEWRRSA-N 0 3 390.575 -0.398 20 0 GBADHN CS[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H]1N1CCCC1 ZINC000330183735 530292228 /nfs/dbraw/zinc/29/22/28/530292228.db2.gz QGCVLXRSEXEXJK-LSDHHAIUSA-N 0 3 390.575 -0.398 20 0 GBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)CC1 ZINC000330272994 1073402591 /nfs/dbraw/zinc/40/25/91/1073402591.db2.gz YMXBJXXTINYAQD-INIZCTEOSA-N 0 3 385.534 -0.750 20 0 GBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)CC1 ZINC000330272995 1073402692 /nfs/dbraw/zinc/40/26/92/1073402692.db2.gz YMXBJXXTINYAQD-MRXNPFEDSA-N 0 3 385.534 -0.750 20 0 GBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000330295018 1073404629 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C[C@@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000334053506 1073166173 /nfs/dbraw/zinc/16/61/73/1073166173.db2.gz LBJSWNZHSGNJTD-HOTGVXAUSA-N 0 3 389.566 -0.159 20 0 GBADHN C[C@@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000334053508 1073166217 /nfs/dbraw/zinc/16/62/17/1073166217.db2.gz LBJSWNZHSGNJTD-JKSUJKDBSA-N 0 3 389.566 -0.159 20 0 GBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000334087546 1073166120 /nfs/dbraw/zinc/16/61/20/1073166120.db2.gz SFFWYWHKZDFANA-HOTGVXAUSA-N 0 3 389.566 -0.018 20 0 GBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000334087556 1073166129 /nfs/dbraw/zinc/16/61/29/1073166129.db2.gz SFFWYWHKZDFANA-JKSUJKDBSA-N 0 3 389.566 -0.018 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000334091897 530280618 /nfs/dbraw/zinc/28/06/18/530280618.db2.gz PCMFJUALFDXPTQ-GJZGRUSLSA-N 0 3 375.539 -0.407 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000334091898 530280670 /nfs/dbraw/zinc/28/06/70/530280670.db2.gz PCMFJUALFDXPTQ-LSDHHAIUSA-N 0 3 375.539 -0.407 20 0 GBADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)cc[nH+]1 ZINC000348341140 530329565 /nfs/dbraw/zinc/32/95/65/530329565.db2.gz IGZNQWFMGVDODB-UHFFFAOYSA-N 0 3 378.476 -0.101 20 0 GBADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCOC2)ccn1 ZINC000348341140 530329564 /nfs/dbraw/zinc/32/95/64/530329564.db2.gz IGZNQWFMGVDODB-UHFFFAOYSA-N 0 3 378.476 -0.101 20 0 GBADHN COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc[nH+]c(N(C)C)c2)C1 ZINC000348358199 530358445 /nfs/dbraw/zinc/35/84/45/530358445.db2.gz YCAVJHHXCJFABM-UHFFFAOYSA-N 0 3 392.503 -0.060 20 0 GBADHN COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnc(N(C)C)c2)C1 ZINC000348358199 530358443 /nfs/dbraw/zinc/35/84/43/530358443.db2.gz YCAVJHHXCJFABM-UHFFFAOYSA-N 0 3 392.503 -0.060 20 0 GBADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)ccn1 ZINC000348381897 530330741 /nfs/dbraw/zinc/33/07/41/530330741.db2.gz KFZVISJYERJFPL-CHWSQXEVSA-N 0 3 392.503 -0.278 20 0 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CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000374422779 530318988 /nfs/dbraw/zinc/31/89/88/530318988.db2.gz KUHOYPUGCYADSA-LSDHHAIUSA-N 0 3 375.539 -0.278 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000374542422 530319435 /nfs/dbraw/zinc/31/94/35/530319435.db2.gz VBBYVIWBUMUMIB-HNNXBMFYSA-N 0 3 394.563 -0.241 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000374542424 530319194 /nfs/dbraw/zinc/31/91/94/530319194.db2.gz VBBYVIWBUMUMIB-OAHLLOKOSA-N 0 3 394.563 -0.241 20 0 GBADHN COCCCS(=O)(=O)NCCN1CCC(O)(CN2CCOCC2)CC1 ZINC000374799192 530319795 /nfs/dbraw/zinc/31/97/95/530319795.db2.gz IWSWCOYXFAVBEN-UHFFFAOYSA-N 0 3 379.523 -0.899 20 0 GBADHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000375636920 530321047 /nfs/dbraw/zinc/32/10/47/530321047.db2.gz QPQPDXMZRIUAHS-KBPBESRZSA-N 0 3 380.536 -0.633 20 0 GBADHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000375636928 530320866 /nfs/dbraw/zinc/32/08/66/530320866.db2.gz QPQPDXMZRIUAHS-KGLIPLIRSA-N 0 3 380.536 -0.633 20 0 GBADHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000375636929 530321116 /nfs/dbraw/zinc/32/11/16/530321116.db2.gz QPQPDXMZRIUAHS-UONOGXRCSA-N 0 3 380.536 -0.633 20 0 GBADHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000375636930 530320961 /nfs/dbraw/zinc/32/09/61/530320961.db2.gz QPQPDXMZRIUAHS-ZIAGYGMSSA-N 0 3 380.536 -0.633 20 0 GBADHN CCOC[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000375726998 530321213 /nfs/dbraw/zinc/32/12/13/530321213.db2.gz LSURNTGVPUGLJX-CVEARBPZSA-N 0 3 375.535 -0.032 20 0 GBADHN CCOC[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000375726999 530321368 /nfs/dbraw/zinc/32/13/68/530321368.db2.gz LSURNTGVPUGLJX-HOTGVXAUSA-N 0 3 375.535 -0.032 20 0 GBADHN CCOC[C@@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000375727000 530321567 /nfs/dbraw/zinc/32/15/67/530321567.db2.gz LSURNTGVPUGLJX-HZPDHXFCSA-N 0 3 375.535 -0.032 20 0 GBADHN CCOC[C@@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000375727001 530321508 /nfs/dbraw/zinc/32/15/08/530321508.db2.gz LSURNTGVPUGLJX-JKSUJKDBSA-N 0 3 375.535 -0.032 20 0 GBADHN CCn1c(N)c(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000375811571 1072788426 /nfs/dbraw/zinc/78/84/26/1072788426.db2.gz HHMKGVKRBNNVCS-KBPBESRZSA-N 0 3 392.504 -0.309 20 0 GBADHN CCn1c(N)c(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(=O)[nH]c1=O ZINC000375811573 1072788237 /nfs/dbraw/zinc/78/82/37/1072788237.db2.gz HHMKGVKRBNNVCS-KGLIPLIRSA-N 0 3 392.504 -0.309 20 0 GBADHN CCn1c(N)c(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000375811579 1072788308 /nfs/dbraw/zinc/78/83/08/1072788308.db2.gz HHMKGVKRBNNVCS-UONOGXRCSA-N 0 3 392.504 -0.309 20 0 GBADHN CCn1c(N)c(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(=O)[nH]c1=O ZINC000375811584 1072788404 /nfs/dbraw/zinc/78/84/04/1072788404.db2.gz HHMKGVKRBNNVCS-ZIAGYGMSSA-N 0 3 392.504 -0.309 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375871504 1072806478 /nfs/dbraw/zinc/80/64/78/1072806478.db2.gz CTVBTKMCAVOVBG-INIZCTEOSA-N 0 3 390.550 -0.431 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375871507 1072806624 /nfs/dbraw/zinc/80/66/24/1072806624.db2.gz CTVBTKMCAVOVBG-MRXNPFEDSA-N 0 3 390.550 -0.431 20 0 GBADHN O=C(CN1CCCC1)N1CCN(Cc2nnnn2CC2CCOCC2)CC1 ZINC000375946341 1072824740 /nfs/dbraw/zinc/82/47/40/1072824740.db2.gz GZMDOBGZZVYPMA-UHFFFAOYSA-N 0 3 377.493 -0.160 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375955725 1072826964 /nfs/dbraw/zinc/82/69/64/1072826964.db2.gz YWMBXCNWUORGGC-GXTWGEPZSA-N 0 3 385.490 -0.536 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375955726 1072827046 /nfs/dbraw/zinc/82/70/46/1072827046.db2.gz YWMBXCNWUORGGC-JSGCOSHPSA-N 0 3 385.490 -0.536 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375955727 1072826999 /nfs/dbraw/zinc/82/69/99/1072826999.db2.gz YWMBXCNWUORGGC-OCCSQVGLSA-N 0 3 385.490 -0.536 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375955728 1072827090 /nfs/dbraw/zinc/82/70/90/1072827090.db2.gz YWMBXCNWUORGGC-TZMCWYRMSA-N 0 3 385.490 -0.536 20 0 GBADHN Cn1c2ncn(CCC(=O)NC[C@@H]3NCCc4ccccc43)c2c(=O)n(C)c1=O ZINC000375956740 1072826546 /nfs/dbraw/zinc/82/65/46/1072826546.db2.gz DPGVRVBPQOEGMZ-HNNXBMFYSA-N 0 3 396.451 -0.173 20 0 GBADHN Cn1c2ncn(CCC(=O)NC[C@H]3NCCc4ccccc43)c2c(=O)n(C)c1=O ZINC000375956741 1072827027 /nfs/dbraw/zinc/82/70/27/1072827027.db2.gz DPGVRVBPQOEGMZ-OAHLLOKOSA-N 0 3 396.451 -0.173 20 0 GBADHN CNS(=O)(=O)N1CCC(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000376101593 1072881953 /nfs/dbraw/zinc/88/19/53/1072881953.db2.gz IJIAQNVOIZQAGG-AWEZNQCLSA-N 0 3 388.534 -0.126 20 0 GBADHN CNS(=O)(=O)N1CCC(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000376139159 1072890975 /nfs/dbraw/zinc/89/09/75/1072890975.db2.gz IJIAQNVOIZQAGG-CQSZACIVSA-N 0 3 388.534 -0.126 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000376156432 1072894136 /nfs/dbraw/zinc/89/41/36/1072894136.db2.gz GZTHXDWHNLTDRN-UHFFFAOYSA-N 0 3 387.492 -0.138 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000376191790 1072906237 /nfs/dbraw/zinc/90/62/37/1072906237.db2.gz ZJNAGEBDIHJLGH-AWEZNQCLSA-N 0 3 393.492 -0.985 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000376191791 1072906282 /nfs/dbraw/zinc/90/62/82/1072906282.db2.gz ZJNAGEBDIHJLGH-CQSZACIVSA-N 0 3 393.492 -0.985 20 0 GBADHN CCN1CCN([C@H]2CCN(c3nc(NCCO)nc(NC(C)C)n3)C2)CC1 ZINC000376221103 1072922494 /nfs/dbraw/zinc/92/24/94/1072922494.db2.gz SWUXXRJAWJGJJZ-HNNXBMFYSA-N 0 3 378.525 -0.844 20 0 GBADHN CCN1CCN([C@@H]2CCN(c3nc(NCCO)nc(NC(C)C)n3)C2)CC1 ZINC000376221104 1072922220 /nfs/dbraw/zinc/92/22/20/1072922220.db2.gz SWUXXRJAWJGJJZ-OAHLLOKOSA-N 0 3 378.525 -0.844 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](N3CCCCC3=O)C2)n1 ZINC000376224487 1072924077 /nfs/dbraw/zinc/92/40/77/1072924077.db2.gz BEWNIVALLNQEID-AWEZNQCLSA-N 0 3 377.493 -0.079 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](N3CCCCC3=O)C2)n1 ZINC000376224489 1072924420 /nfs/dbraw/zinc/92/44/20/1072924420.db2.gz BEWNIVALLNQEID-CQSZACIVSA-N 0 3 377.493 -0.079 20 0 GBADHN C[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)CN1CCN(C)CC1 ZINC000376250692 1072934141 /nfs/dbraw/zinc/93/41/41/1072934141.db2.gz PWDCGEDVGJZRRK-CVEARBPZSA-N 0 3 389.566 -0.065 20 0 GBADHN C[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)CN1CCN(C)CC1 ZINC000376250693 1072934312 /nfs/dbraw/zinc/93/43/12/1072934312.db2.gz PWDCGEDVGJZRRK-HOTGVXAUSA-N 0 3 389.566 -0.065 20 0 GBADHN C[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)CN1CCN(C)CC1 ZINC000376250694 1072934451 /nfs/dbraw/zinc/93/44/51/1072934451.db2.gz PWDCGEDVGJZRRK-HZPDHXFCSA-N 0 3 389.566 -0.065 20 0 GBADHN C[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)CN1CCN(C)CC1 ZINC000376250695 1072934556 /nfs/dbraw/zinc/93/45/56/1072934556.db2.gz PWDCGEDVGJZRRK-JKSUJKDBSA-N 0 3 389.566 -0.065 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1=O ZINC000376274492 1072941258 /nfs/dbraw/zinc/94/12/58/1072941258.db2.gz OMGSUOPOQIBFHM-UONOGXRCSA-N 0 3 386.518 -0.531 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1=O ZINC000376274493 1072941045 /nfs/dbraw/zinc/94/10/45/1072941045.db2.gz OMGSUOPOQIBFHM-ZIAGYGMSSA-N 0 3 386.518 -0.531 20 0 GBADHN COCCN(C)CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376283961 1072942857 /nfs/dbraw/zinc/94/28/57/1072942857.db2.gz GAYOXLURTYGONN-HNNXBMFYSA-N 0 3 392.522 -0.599 20 0 GBADHN COCCN(C)CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376283963 1072942826 /nfs/dbraw/zinc/94/28/26/1072942826.db2.gz GAYOXLURTYGONN-OAHLLOKOSA-N 0 3 392.522 -0.599 20 0 GBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000376324543 530322241 /nfs/dbraw/zinc/32/22/41/530322241.db2.gz YVTTUQSDXPBICU-CABCVRRESA-N 0 3 375.539 -0.264 20 0 GBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000376324551 530322253 /nfs/dbraw/zinc/32/22/53/530322253.db2.gz YVTTUQSDXPBICU-GJZGRUSLSA-N 0 3 375.539 -0.264 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000376324553 530322091 /nfs/dbraw/zinc/32/20/91/530322091.db2.gz YVTTUQSDXPBICU-HUUCEWRRSA-N 0 3 375.539 -0.264 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000376324554 530322292 /nfs/dbraw/zinc/32/22/92/530322292.db2.gz YVTTUQSDXPBICU-LSDHHAIUSA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376345081 1072955254 /nfs/dbraw/zinc/95/52/54/1072955254.db2.gz XSBFBDYHJWHBHX-IXDOHACOSA-N 0 3 382.505 -0.465 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376345082 1072955573 /nfs/dbraw/zinc/95/55/73/1072955573.db2.gz XSBFBDYHJWHBHX-YESZJQIVSA-N 0 3 382.505 -0.465 20 0 GBADHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000376359631 530322128 /nfs/dbraw/zinc/32/21/28/530322128.db2.gz OMALILDNJWNMPU-KBPBESRZSA-N 0 3 380.536 -0.633 20 0 GBADHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000376359632 530322393 /nfs/dbraw/zinc/32/23/93/530322393.db2.gz OMALILDNJWNMPU-KGLIPLIRSA-N 0 3 380.536 -0.633 20 0 GBADHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000376359633 530322385 /nfs/dbraw/zinc/32/23/85/530322385.db2.gz OMALILDNJWNMPU-UONOGXRCSA-N 0 3 380.536 -0.633 20 0 GBADHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000376359634 530322326 /nfs/dbraw/zinc/32/23/26/530322326.db2.gz OMALILDNJWNMPU-ZIAGYGMSSA-N 0 3 380.536 -0.633 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(N3CCCCC3=O)CC2)n1 ZINC000376402606 1072971599 /nfs/dbraw/zinc/97/15/99/1072971599.db2.gz JMUPYFMXAFBGMH-UHFFFAOYSA-N 0 3 377.493 -0.079 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCN(c3ncccc3F)C2)n1 ZINC000376405188 1072971047 /nfs/dbraw/zinc/97/10/47/1072971047.db2.gz DEODSONFPKZSKP-GFCCVEGCSA-N 0 3 376.440 -0.413 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCN(c3ncccc3F)C2)n1 ZINC000376405189 1072970702 /nfs/dbraw/zinc/97/07/02/1072970702.db2.gz DEODSONFPKZSKP-LBPRGKRZSA-N 0 3 376.440 -0.413 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000376445962 1072983458 /nfs/dbraw/zinc/98/34/58/1072983458.db2.gz AOKHNJRMBFVWDJ-DZGCQCFKSA-N 0 3 389.504 -0.080 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000376445963 1072983863 /nfs/dbraw/zinc/98/38/63/1072983863.db2.gz AOKHNJRMBFVWDJ-HIFRSBDPSA-N 0 3 389.504 -0.080 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000376445964 1072984142 /nfs/dbraw/zinc/98/41/42/1072984142.db2.gz AOKHNJRMBFVWDJ-UKRRQHHQSA-N 0 3 389.504 -0.080 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000376445965 1072983837 /nfs/dbraw/zinc/98/38/37/1072983837.db2.gz AOKHNJRMBFVWDJ-ZFWWWQNUSA-N 0 3 389.504 -0.080 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000376447919 1072983843 /nfs/dbraw/zinc/98/38/43/1072983843.db2.gz HOKMIKJBACJFCP-HNNXBMFYSA-N 0 3 391.520 -0.045 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000376447920 1072983891 /nfs/dbraw/zinc/98/38/91/1072983891.db2.gz HOKMIKJBACJFCP-OAHLLOKOSA-N 0 3 391.520 -0.045 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000376461179 1072987300 /nfs/dbraw/zinc/98/73/00/1072987300.db2.gz LKAZRAHQAPGBAU-UHFFFAOYSA-N 0 3 387.492 -0.133 20 0 GBADHN CCN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000376581341 1073045160 /nfs/dbraw/zinc/04/51/60/1073045160.db2.gz XPCJWQXRDMEKHM-DLBZAZTESA-N 0 3 382.505 -0.463 20 0 GBADHN CN1CCC[C@H](N2CCN(C(=O)NCCOCCS(C)(=O)=O)CC2)C1 ZINC000376665237 530322581 /nfs/dbraw/zinc/32/25/81/530322581.db2.gz UFSAPIYWFGXZHO-HNNXBMFYSA-N 0 3 376.523 -0.531 20 0 GBADHN CN1CCC[C@@H](N2CCN(C(=O)NCCOCCS(C)(=O)=O)CC2)C1 ZINC000376665238 530322655 /nfs/dbraw/zinc/32/26/55/530322655.db2.gz UFSAPIYWFGXZHO-OAHLLOKOSA-N 0 3 376.523 -0.531 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@]3(F)CCNC3)CC2)C[C@H](C)O1 ZINC000376695941 530323122 /nfs/dbraw/zinc/32/31/22/530323122.db2.gz SZPSMWRSZUWGGD-GUTXKFCHSA-N 0 3 378.470 -0.814 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@]3(F)CCNC3)CC2)C[C@@H](C)O1 ZINC000376695942 530322906 /nfs/dbraw/zinc/32/29/06/530322906.db2.gz SZPSMWRSZUWGGD-NFAWXSAZSA-N 0 3 378.470 -0.814 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@]3(F)CCNC3)CC2)C[C@@H](C)O1 ZINC000376695943 530323175 /nfs/dbraw/zinc/32/31/75/530323175.db2.gz SZPSMWRSZUWGGD-UMVBOHGHSA-N 0 3 378.470 -0.814 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@]3(F)CCNC3)CC2)C[C@H](C)O1 ZINC000376695945 530322883 /nfs/dbraw/zinc/32/28/83/530322883.db2.gz SZPSMWRSZUWGGD-VNHYZAJKSA-N 0 3 378.470 -0.814 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 ZINC000376696729 1073100251 /nfs/dbraw/zinc/10/02/51/1073100251.db2.gz QDHJTEQBYOVONX-UHFFFAOYSA-N 0 3 388.472 -0.076 20 0 GBADHN 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394.447 -0.580 20 0 GBADHN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000418822791 1073722918 /nfs/dbraw/zinc/72/29/18/1073722918.db2.gz BEWVQZTVSVWYCG-SJORKVTESA-N 0 3 394.447 -0.580 20 0 GBADHN CN(CCNC(=O)C(=O)N1CCCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418823674 1073722979 /nfs/dbraw/zinc/72/29/79/1073722979.db2.gz IOHAUUFWDOHKLZ-UHFFFAOYSA-N 0 3 386.449 -0.616 20 0 GBADHN CC(C)(CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)N1CCCCC1 ZINC000418833194 1073724343 /nfs/dbraw/zinc/72/43/43/1073724343.db2.gz KWZGBUFXFYDPKZ-INIZCTEOSA-N 0 3 393.532 -0.210 20 0 GBADHN CC(C)(CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)N1CCCCC1 ZINC000418833195 1073724430 /nfs/dbraw/zinc/72/44/30/1073724430.db2.gz KWZGBUFXFYDPKZ-MRXNPFEDSA-N 0 3 393.532 -0.210 20 0 GBADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@@H]1CNCCO1 ZINC000418837928 1073724582 /nfs/dbraw/zinc/72/45/82/1073724582.db2.gz UIFBNXYVQCNROR-DLBZAZTESA-N 0 3 376.457 -0.892 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 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0 3 390.484 -0.411 20 0 GBADHN Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)N2CCOCC2)cc1 ZINC000418846094 1073727534 /nfs/dbraw/zinc/72/75/34/1073727534.db2.gz QKSLNJPRKNODKD-ROUUACIJSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)N2CCOCC2)cc1 ZINC000418846095 1073727102 /nfs/dbraw/zinc/72/71/02/1073727102.db2.gz QKSLNJPRKNODKD-ZWKOTPCHSA-N 0 3 390.484 -0.411 20 0 GBADHN CCN(CCCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)S(C)(=O)=O ZINC000418849011 530346953 /nfs/dbraw/zinc/34/69/53/530346953.db2.gz NSAHJYDNFNWKEB-AWEZNQCLSA-N 0 3 376.523 -0.202 20 0 GBADHN CCN(CCCNC(=O)C(=O)N[C@H](CN)C1CCCCC1)S(C)(=O)=O ZINC000418849012 530346691 /nfs/dbraw/zinc/34/66/91/530346691.db2.gz NSAHJYDNFNWKEB-CQSZACIVSA-N 0 3 376.523 -0.202 20 0 GBADHN CCN(CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)S(C)(=O)=O ZINC000418853425 530347212 /nfs/dbraw/zinc/34/72/12/530347212.db2.gz XOZGXDWBLOKYMN-NEPJUHHUSA-N 0 3 378.495 -0.997 20 0 GBADHN CCN(CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)S(C)(=O)=O ZINC000418853426 530347319 /nfs/dbraw/zinc/34/73/19/530347319.db2.gz XOZGXDWBLOKYMN-NWDGAFQWSA-N 0 3 378.495 -0.997 20 0 GBADHN CCN(CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)S(C)(=O)=O ZINC000418853427 530347067 /nfs/dbraw/zinc/34/70/67/530347067.db2.gz XOZGXDWBLOKYMN-RYUDHWBXSA-N 0 3 378.495 -0.997 20 0 GBADHN CCN(CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)S(C)(=O)=O ZINC000418853428 530347163 /nfs/dbraw/zinc/34/71/63/530347163.db2.gz XOZGXDWBLOKYMN-VXGBXAGGSA-N 0 3 378.495 -0.997 20 0 GBADHN COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c1 ZINC000418853956 1073728752 /nfs/dbraw/zinc/72/87/52/1073728752.db2.gz KHLHMFSUHRDHJC-PBHICJAKSA-N 0 3 376.457 -0.115 20 0 GBADHN COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c1 ZINC000418853960 1073728417 /nfs/dbraw/zinc/72/84/17/1073728417.db2.gz KHLHMFSUHRDHJC-RHSMWYFYSA-N 0 3 376.457 -0.115 20 0 GBADHN COc1cccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c1 ZINC000418853967 1073728447 /nfs/dbraw/zinc/72/84/47/1073728447.db2.gz KHLHMFSUHRDHJC-WMLDXEAASA-N 0 3 376.457 -0.115 20 0 GBADHN COc1cccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c1 ZINC000418853968 1073728514 /nfs/dbraw/zinc/72/85/14/1073728514.db2.gz KHLHMFSUHRDHJC-YOEHRIQHSA-N 0 3 376.457 -0.115 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858219 1073728584 /nfs/dbraw/zinc/72/85/84/1073728584.db2.gz VGTASPADPRBWRA-BXUZGUMPSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858220 1073728626 /nfs/dbraw/zinc/72/86/26/1073728626.db2.gz VGTASPADPRBWRA-FZMZJTMJSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858221 1073728768 /nfs/dbraw/zinc/72/87/68/1073728768.db2.gz VGTASPADPRBWRA-RISCZKNCSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858222 1073728324 /nfs/dbraw/zinc/72/83/24/1073728324.db2.gz VGTASPADPRBWRA-SMDDNHRTSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000418862689 1073729387 /nfs/dbraw/zinc/72/93/87/1073729387.db2.gz AXSXDIPDHPEYDB-BFHYXJOUSA-N 0 3 378.477 -0.266 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000418862691 1073729772 /nfs/dbraw/zinc/72/97/72/1073729772.db2.gz AXSXDIPDHPEYDB-IHRRRGAJSA-N 0 3 378.477 -0.266 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000418862693 1073729255 /nfs/dbraw/zinc/72/92/55/1073729255.db2.gz AXSXDIPDHPEYDB-MELADBBJSA-N 0 3 378.477 -0.266 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000418862695 1073729682 /nfs/dbraw/zinc/72/96/82/1073729682.db2.gz AXSXDIPDHPEYDB-MJBXVCDLSA-N 0 3 378.477 -0.266 20 0 GBADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000418869108 1073729461 /nfs/dbraw/zinc/72/94/61/1073729461.db2.gz OFLXKJYVWMVHGZ-INIZCTEOSA-N 0 3 376.457 -0.099 20 0 GBADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000418869109 1073729485 /nfs/dbraw/zinc/72/94/85/1073729485.db2.gz OFLXKJYVWMVHGZ-MRXNPFEDSA-N 0 3 376.457 -0.099 20 0 GBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418869644 530347721 /nfs/dbraw/zinc/34/77/21/530347721.db2.gz SIWOEFBXNSEMGB-GFCCVEGCSA-N 0 3 399.289 -0.076 20 0 GBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418869645 530347776 /nfs/dbraw/zinc/34/77/76/530347776.db2.gz SIWOEFBXNSEMGB-LBPRGKRZSA-N 0 3 399.289 -0.076 20 0 GBADHN NC[C@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)c1ccc2ccccc2c1 ZINC000418870530 1073730539 /nfs/dbraw/zinc/73/05/39/1073730539.db2.gz PMBFQYMAYVBUAB-KRWDZBQOSA-N 0 3 384.436 -0.069 20 0 GBADHN NC[C@@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)c1ccc2ccccc2c1 ZINC000418870531 1073730498 /nfs/dbraw/zinc/73/04/98/1073730498.db2.gz PMBFQYMAYVBUAB-QGZVFWFLSA-N 0 3 384.436 -0.069 20 0 GBADHN C[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418878483 530347513 /nfs/dbraw/zinc/34/75/13/530347513.db2.gz AJVVJGVCQRNHRP-UHFFFAOYSA-N 0 3 380.829 -0.791 20 0 GBADHN C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418879107 530347598 /nfs/dbraw/zinc/34/75/98/530347598.db2.gz BLGRVVCZRABEDY-SECBINFHSA-N 0 3 394.856 -0.415 20 0 GBADHN C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418879112 530347436 /nfs/dbraw/zinc/34/74/36/530347436.db2.gz BLGRVVCZRABEDY-VIFPVBQESA-N 0 3 394.856 -0.415 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418879174 530347626 /nfs/dbraw/zinc/34/76/26/530347626.db2.gz BPKBXNKZMOWZEX-JTQLQIEISA-N 0 3 392.840 -0.648 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418879175 530347755 /nfs/dbraw/zinc/34/77/55/530347755.db2.gz BPKBXNKZMOWZEX-SNVBAGLBSA-N 0 3 392.840 -0.648 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880869 1073732818 /nfs/dbraw/zinc/73/28/18/1073732818.db2.gz GBIAPMWGIPWBFW-GXTWGEPZSA-N 0 3 387.444 -0.450 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880870 1073733206 /nfs/dbraw/zinc/73/32/06/1073733206.db2.gz GBIAPMWGIPWBFW-JSGCOSHPSA-N 0 3 387.444 -0.450 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880871 1073732802 /nfs/dbraw/zinc/73/28/02/1073732802.db2.gz GBIAPMWGIPWBFW-OCCSQVGLSA-N 0 3 387.444 -0.450 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880872 1073733111 /nfs/dbraw/zinc/73/31/11/1073733111.db2.gz GBIAPMWGIPWBFW-TZMCWYRMSA-N 0 3 387.444 -0.450 20 0 GBADHN [NH3+][C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418884078 530347643 /nfs/dbraw/zinc/34/76/43/530347643.db2.gz MIFXXXOUKDWSRZ-JTQLQIEISA-N 0 3 392.840 -0.567 20 0 GBADHN [NH3+][C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418884079 530347647 /nfs/dbraw/zinc/34/76/47/530347647.db2.gz MIFXXXOUKDWSRZ-SNVBAGLBSA-N 0 3 392.840 -0.567 20 0 GBADHN C[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418884180 530347746 /nfs/dbraw/zinc/34/77/46/530347746.db2.gz NBDAJHOOOQGCJS-UHFFFAOYSA-N 0 3 394.856 -0.401 20 0 GBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418884500 530347759 /nfs/dbraw/zinc/34/77/59/530347759.db2.gz NHSNTPRQBKEDNF-LLVKDONJSA-N 0 3 390.209 -0.083 20 0 GBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418884505 530347412 /nfs/dbraw/zinc/34/74/12/530347412.db2.gz NHSNTPRQBKEDNF-NSHDSACASA-N 0 3 390.209 -0.083 20 0 GBADHN CN(CC[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418884535 530347702 /nfs/dbraw/zinc/34/77/02/530347702.db2.gz NKWSRNAHMYBICO-UHFFFAOYSA-N 0 3 380.829 -0.709 20 0 GBADHN C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418884903 530347533 /nfs/dbraw/zinc/34/75/33/530347533.db2.gz NZTZOYFUXFHGJI-SECBINFHSA-N 0 3 394.856 -0.321 20 0 GBADHN C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418884904 530347752 /nfs/dbraw/zinc/34/77/52/530347752.db2.gz NZTZOYFUXFHGJI-VIFPVBQESA-N 0 3 394.856 -0.321 20 0 GBADHN C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418886319 530347518 /nfs/dbraw/zinc/34/75/18/530347518.db2.gz BHZOWOMVZIDMQK-SECBINFHSA-N 0 3 378.401 -0.930 20 0 GBADHN C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418886327 530347553 /nfs/dbraw/zinc/34/75/53/530347553.db2.gz BHZOWOMVZIDMQK-VIFPVBQESA-N 0 3 378.401 -0.930 20 0 GBADHN C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418886407 530347735 /nfs/dbraw/zinc/34/77/35/530347735.db2.gz BMBHXZIURQOPJK-SECBINFHSA-N 0 3 378.401 -0.835 20 0 GBADHN C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418886408 530347768 /nfs/dbraw/zinc/34/77/68/530347768.db2.gz BMBHXZIURQOPJK-VIFPVBQESA-N 0 3 378.401 -0.835 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000418886418 1073730964 /nfs/dbraw/zinc/73/09/64/1073730964.db2.gz BMUUDYVHXFALQE-AEGPPILISA-N 0 3 389.456 -0.078 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000418886423 1073731372 /nfs/dbraw/zinc/73/13/72/1073731372.db2.gz BMUUDYVHXFALQE-CFVMTHIKSA-N 0 3 389.456 -0.078 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000418886425 1073732268 /nfs/dbraw/zinc/73/22/68/1073732268.db2.gz BMUUDYVHXFALQE-NWANDNLSSA-N 0 3 389.456 -0.078 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000418886427 1073732279 /nfs/dbraw/zinc/73/22/79/1073732279.db2.gz BMUUDYVHXFALQE-QEJZJMRPSA-N 0 3 389.456 -0.078 20 0 GBADHN C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418886543 530347483 /nfs/dbraw/zinc/34/74/83/530347483.db2.gz RFTMTSFNOXWFSG-SECBINFHSA-N 0 3 394.856 -0.273 20 0 GBADHN C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418886544 530347601 /nfs/dbraw/zinc/34/76/01/530347601.db2.gz RFTMTSFNOXWFSG-VIFPVBQESA-N 0 3 394.856 -0.273 20 0 GBADHN [NH3+]CCCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418886839 530347683 /nfs/dbraw/zinc/34/76/83/530347683.db2.gz CAYHJHQHNYSUSS-UHFFFAOYSA-N 0 3 394.856 -0.271 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418887086 530347447 /nfs/dbraw/zinc/34/74/47/530347447.db2.gz CHVBHMQIZKHBLR-JTQLQIEISA-N 0 3 392.840 -0.648 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418887088 530347655 /nfs/dbraw/zinc/34/76/55/530347655.db2.gz CHVBHMQIZKHBLR-SNVBAGLBSA-N 0 3 392.840 -0.648 20 0 GBADHN C[NH2+]CCCN(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418887392 1073732099 /nfs/dbraw/zinc/73/20/99/1073732099.db2.gz DAXPCEFJKCLPFW-UHFFFAOYSA-N 0 3 392.428 -0.573 20 0 GBADHN C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418888365 530347726 /nfs/dbraw/zinc/34/77/26/530347726.db2.gz FUKBKMJYBBESTB-SECBINFHSA-N 0 3 394.856 -0.273 20 0 GBADHN C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418888367 530347791 /nfs/dbraw/zinc/34/77/91/530347791.db2.gz FUKBKMJYBBESTB-VIFPVBQESA-N 0 3 394.856 -0.273 20 0 GBADHN C[C@@H](CN)NC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418888465 530347452 /nfs/dbraw/zinc/34/74/52/530347452.db2.gz FZXVWDSWCZFRDK-JTQLQIEISA-N 0 3 376.866 -0.412 20 0 GBADHN C[C@H](CN)NC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418888466 530347695 /nfs/dbraw/zinc/34/76/95/530347695.db2.gz FZXVWDSWCZFRDK-SNVBAGLBSA-N 0 3 376.866 -0.412 20 0 GBADHN C[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418889022 530347466 /nfs/dbraw/zinc/34/74/66/530347466.db2.gz HBMJTPXUOLDHCR-UHFFFAOYSA-N 0 3 378.401 -0.915 20 0 GBADHN C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418889023 530347423 /nfs/dbraw/zinc/34/74/23/530347423.db2.gz HBVXXEYUPCNPFS-SECBINFHSA-N 0 3 378.401 -0.787 20 0 GBADHN C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418889024 530347739 /nfs/dbraw/zinc/34/77/39/530347739.db2.gz HBVXXEYUPCNPFS-VIFPVBQESA-N 0 3 378.401 -0.787 20 0 GBADHN CC(C)([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418889030 530348167 /nfs/dbraw/zinc/34/81/67/530348167.db2.gz HCKJYXWBPKOSPT-UHFFFAOYSA-N 0 3 378.401 -0.787 20 0 GBADHN CC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418890280 530347958 /nfs/dbraw/zinc/34/79/58/530347958.db2.gz WDRZGCNNHQHWEF-UHFFFAOYSA-N 0 3 394.856 -0.401 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCC[NH2+]CC1 ZINC000418890435 1073735877 /nfs/dbraw/zinc/73/58/77/1073735877.db2.gz JXDCFCXLDFAFKY-UHFFFAOYSA-N 0 3 390.412 -0.819 20 0 GBADHN C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418890445 530348169 /nfs/dbraw/zinc/34/81/69/530348169.db2.gz JYBQADZXNAFUDE-SECBINFHSA-N 0 3 378.401 -0.917 20 0 GBADHN C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418890446 530348120 /nfs/dbraw/zinc/34/81/20/530348120.db2.gz JYBQADZXNAFUDE-VIFPVBQESA-N 0 3 378.401 -0.917 20 0 GBADHN CCC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418890607 1073735737 /nfs/dbraw/zinc/73/57/37/1073735737.db2.gz KHMLZMOBHYEHEH-UHFFFAOYSA-N 0 3 392.428 -0.525 20 0 GBADHN [NH3+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418891118 530347430 /nfs/dbraw/zinc/34/74/30/530347430.db2.gz LHMPTANYYBVHBU-UHFFFAOYSA-N 0 3 380.829 -0.661 20 0 GBADHN CN(CCN)C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418891154 530347677 /nfs/dbraw/zinc/34/76/77/530347677.db2.gz LJYGLHVTALJVCQ-UHFFFAOYSA-N 0 3 376.866 -0.458 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418891191 1073734822 /nfs/dbraw/zinc/73/48/22/1073734822.db2.gz WYTFUKFSPXBWOA-QNWHQSFQSA-N 0 3 390.506 -0.950 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418891192 1073734697 /nfs/dbraw/zinc/73/46/97/1073734697.db2.gz WYTFUKFSPXBWOA-UMSGYPCISA-N 0 3 390.506 -0.950 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418891193 1073734664 /nfs/dbraw/zinc/73/46/64/1073734664.db2.gz WYTFUKFSPXBWOA-WUHRBBMRSA-N 0 3 390.506 -0.950 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418891194 1073734671 /nfs/dbraw/zinc/73/46/71/1073734671.db2.gz WYTFUKFSPXBWOA-ZDEQEGDKSA-N 0 3 390.506 -0.950 20 0 GBADHN CC(C)([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418891585 530347490 /nfs/dbraw/zinc/34/74/90/530347490.db2.gz XPHXXNIILZVAKM-UHFFFAOYSA-N 0 3 394.856 -0.273 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000418891640 1073735549 /nfs/dbraw/zinc/73/55/49/1073735549.db2.gz XXNRLRHHENCVPQ-KKUMJFAQSA-N 0 3 382.486 -0.363 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418891641 1073735489 /nfs/dbraw/zinc/73/54/89/1073735489.db2.gz XXNRLRHHENCVPQ-RRFJBIMHSA-N 0 3 382.486 -0.363 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000418891642 1073735752 /nfs/dbraw/zinc/73/57/52/1073735752.db2.gz XXNRLRHHENCVPQ-SOUVJXGZSA-N 0 3 382.486 -0.363 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418891643 1073736041 /nfs/dbraw/zinc/73/60/41/1073736041.db2.gz XXNRLRHHENCVPQ-ZNMIVQPWSA-N 0 3 382.486 -0.363 20 0 GBADHN [NH3+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418891972 530347998 /nfs/dbraw/zinc/34/79/98/530347998.db2.gz YCCKFQYXMBFDTJ-UHFFFAOYSA-N 0 3 380.829 -0.661 20 0 GBADHN C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418892246 530348187 /nfs/dbraw/zinc/34/81/87/530348187.db2.gz YMAIPMVQHUHJKC-SECBINFHSA-N 0 3 394.856 -0.402 20 0 GBADHN C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418892247 530347990 /nfs/dbraw/zinc/34/79/90/530347990.db2.gz YMAIPMVQHUHJKC-VIFPVBQESA-N 0 3 394.856 -0.402 20 0 GBADHN CC(C)([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418892453 530348189 /nfs/dbraw/zinc/34/81/89/530348189.db2.gz NXMCAGSNXTTXCV-UHFFFAOYSA-N 0 3 394.856 -0.273 20 0 GBADHN C[C@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418892849 530348196 /nfs/dbraw/zinc/34/81/96/530348196.db2.gz OQFFHRNFQZABGW-MRVPVSSYSA-N 0 3 380.829 -0.663 20 0 GBADHN C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418892850 530348161 /nfs/dbraw/zinc/34/81/61/530348161.db2.gz OQFFHRNFQZABGW-QMMMGPOBSA-N 0 3 380.829 -0.663 20 0 GBADHN C[C@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418893257 530348182 /nfs/dbraw/zinc/34/81/82/530348182.db2.gz ZRFLQBIJRUBUOD-MRVPVSSYSA-N 0 3 380.829 -0.663 20 0 GBADHN C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418893259 530347916 /nfs/dbraw/zinc/34/79/16/530347916.db2.gz ZRFLQBIJRUBUOD-QMMMGPOBSA-N 0 3 380.829 -0.663 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418893411 1073734113 /nfs/dbraw/zinc/73/41/13/1073734113.db2.gz PMWVCNOFYXKPAW-LLVKDONJSA-N 0 3 390.412 -0.773 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418893412 1073733619 /nfs/dbraw/zinc/73/36/19/1073733619.db2.gz PMWVCNOFYXKPAW-NSHDSACASA-N 0 3 390.412 -0.773 20 0 GBADHN [NH3+][C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418893868 530348038 /nfs/dbraw/zinc/34/80/38/530348038.db2.gz QGJDXIXUKOOSAJ-JTQLQIEISA-N 0 3 392.840 -0.567 20 0 GBADHN [NH3+][C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418893869 530348115 /nfs/dbraw/zinc/34/81/15/530348115.db2.gz QGJDXIXUKOOSAJ-SNVBAGLBSA-N 0 3 392.840 -0.567 20 0 GBADHN C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418894184 530348107 /nfs/dbraw/zinc/34/81/07/530348107.db2.gz QVWYQZWTTCALGQ-SECBINFHSA-N 0 3 394.856 -0.415 20 0 GBADHN C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418894186 530347932 /nfs/dbraw/zinc/34/79/32/530347932.db2.gz QVWYQZWTTCALGQ-VIFPVBQESA-N 0 3 394.856 -0.415 20 0 GBADHN CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418894441 1073733857 /nfs/dbraw/zinc/73/38/57/1073733857.db2.gz RFHXWOCCJUXXIZ-GFCCVEGCSA-N 0 3 392.428 -0.541 20 0 GBADHN CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418894450 1073734195 /nfs/dbraw/zinc/73/41/95/1073734195.db2.gz RFHXWOCCJUXXIZ-LBPRGKRZSA-N 0 3 392.428 -0.541 20 0 GBADHN CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418894498 1073734212 /nfs/dbraw/zinc/73/42/12/1073734212.db2.gz RHNSZIQIDXSARW-SNVBAGLBSA-N 0 3 392.428 -0.527 20 0 GBADHN CC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418894856 530348026 /nfs/dbraw/zinc/34/80/26/530348026.db2.gz RUTSGEHJSPIBAB-UHFFFAOYSA-N 0 3 378.401 -0.915 20 0 GBADHN C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418894878 1073733936 /nfs/dbraw/zinc/73/39/36/1073733936.db2.gz RXYKXCHDVZRQFM-LLVKDONJSA-N 0 3 390.412 -0.820 20 0 GBADHN C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418894880 1073734076 /nfs/dbraw/zinc/73/40/76/1073734076.db2.gz RXYKXCHDVZRQFM-NSHDSACASA-N 0 3 390.412 -0.820 20 0 GBADHN [NH3+][C@H](CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418894940 1073733706 /nfs/dbraw/zinc/73/37/06/1073733706.db2.gz SEBNMWWFJANTCC-GFCCVEGCSA-N 0 3 390.412 -0.787 20 0 GBADHN [NH3+][C@@H](CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418894942 1073734131 /nfs/dbraw/zinc/73/41/31/1073734131.db2.gz SEBNMWWFJANTCC-LBPRGKRZSA-N 0 3 390.412 -0.787 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@H]1[NH3+] ZINC000418895218 1073733911 /nfs/dbraw/zinc/73/39/11/1073733911.db2.gz SNGMFOMIJWATLE-BXKDBHETSA-N 0 3 390.412 -0.835 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC000418895220 1073733786 /nfs/dbraw/zinc/73/37/86/1073733786.db2.gz SNGMFOMIJWATLE-CABZTGNLSA-N 0 3 390.412 -0.835 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@H]1[NH3+] ZINC000418895221 1073734275 /nfs/dbraw/zinc/73/42/75/1073734275.db2.gz SNGMFOMIJWATLE-JOYOIKCWSA-N 0 3 390.412 -0.835 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC000418895222 1073734229 /nfs/dbraw/zinc/73/42/29/1073734229.db2.gz SNGMFOMIJWATLE-SKDRFNHKSA-N 0 3 390.412 -0.835 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418895294 1073733809 /nfs/dbraw/zinc/73/38/09/1073733809.db2.gz STWUUJXGNBPJLY-LLVKDONJSA-N 0 3 390.412 -0.773 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418895295 1073733679 /nfs/dbraw/zinc/73/36/79/1073733679.db2.gz STWUUJXGNBPJLY-NSHDSACASA-N 0 3 390.412 -0.773 20 0 GBADHN CC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418895477 530347903 /nfs/dbraw/zinc/34/79/03/530347903.db2.gz TUZTZWMBRCBKNZ-UHFFFAOYSA-N 0 3 394.856 -0.401 20 0 GBADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418895559 1073734095 /nfs/dbraw/zinc/73/40/95/1073734095.db2.gz UDINEIMHIWQPIK-JTQLQIEISA-N 0 3 392.428 -0.669 20 0 GBADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418895562 1073734032 /nfs/dbraw/zinc/73/40/32/1073734032.db2.gz UDINEIMHIWQPIK-SNVBAGLBSA-N 0 3 392.428 -0.669 20 0 GBADHN O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418896110 1073734059 /nfs/dbraw/zinc/73/40/59/1073734059.db2.gz FERHOZNXJCPQSI-DLBZAZTESA-N 0 3 388.468 -0.559 20 0 GBADHN O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418896111 1073734178 /nfs/dbraw/zinc/73/41/78/1073734178.db2.gz FERHOZNXJCPQSI-IAGOWNOFSA-N 0 3 388.468 -0.559 20 0 GBADHN O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418896112 1073733577 /nfs/dbraw/zinc/73/35/77/1073733577.db2.gz FERHOZNXJCPQSI-IRXDYDNUSA-N 0 3 388.468 -0.559 20 0 GBADHN O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418896113 1073733877 /nfs/dbraw/zinc/73/38/77/1073733877.db2.gz FERHOZNXJCPQSI-SJORKVTESA-N 0 3 388.468 -0.559 20 0 GBADHN C[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418896371 530348165 /nfs/dbraw/zinc/34/81/65/530348165.db2.gz VBMYPTKICVTJEA-UHFFFAOYSA-N 0 3 394.856 -0.401 20 0 GBADHN C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418896442 530348143 /nfs/dbraw/zinc/34/81/43/530348143.db2.gz VIDHYCBWZWYTKL-SECBINFHSA-N 0 3 394.856 -0.321 20 0 GBADHN C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418896443 530348180 /nfs/dbraw/zinc/34/81/80/530348180.db2.gz VIDHYCBWZWYTKL-VIFPVBQESA-N 0 3 394.856 -0.321 20 0 GBADHN [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418896889 1073734840 /nfs/dbraw/zinc/73/48/40/1073734840.db2.gz WDJPCIVUILHNNV-LLVKDONJSA-N 0 3 390.412 -0.691 20 0 GBADHN [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418896890 1073734701 /nfs/dbraw/zinc/73/47/01/1073734701.db2.gz WDJPCIVUILHNNV-NSHDSACASA-N 0 3 390.412 -0.691 20 0 GBADHN C[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418896929 530348192 /nfs/dbraw/zinc/34/81/92/530348192.db2.gz WIKZUKAUFGHNSI-UHFFFAOYSA-N 0 3 380.829 -0.791 20 0 GBADHN C[C@H](CN)N(C)C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418896946 530347965 /nfs/dbraw/zinc/34/79/65/530347965.db2.gz WQHIJFSPZVRPRS-LLVKDONJSA-N 0 3 390.893 -0.070 20 0 GBADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418896947 530347888 /nfs/dbraw/zinc/34/78/88/530347888.db2.gz WQHIJFSPZVRPRS-NSHDSACASA-N 0 3 390.893 -0.070 20 0 GBADHN [NH3+]C[C@@H](NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418897339 1073734754 /nfs/dbraw/zinc/73/47/54/1073734754.db2.gz XBGXUJCIJRBMHJ-GFCCVEGCSA-N 0 3 390.412 -0.787 20 0 GBADHN [NH3+]C[C@H](NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418897340 1073735064 /nfs/dbraw/zinc/73/50/64/1073735064.db2.gz XBGXUJCIJRBMHJ-LBPRGKRZSA-N 0 3 390.412 -0.787 20 0 GBADHN CN(CC[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418898348 530347870 /nfs/dbraw/zinc/34/78/70/530347870.db2.gz ZBJLKAHBAMQXRB-UHFFFAOYSA-N 0 3 380.829 -0.709 20 0 GBADHN [NH3+]C1(CNC(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC1 ZINC000418898400 1073735854 /nfs/dbraw/zinc/73/58/54/1073735854.db2.gz ZKMHTYRDJKSPJR-UHFFFAOYSA-N 0 3 390.412 -0.643 20 0 GBADHN C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418898562 530347893 /nfs/dbraw/zinc/34/78/93/530347893.db2.gz ZUGABSAVJKASNT-SECBINFHSA-N 0 3 394.856 -0.402 20 0 GBADHN C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418898564 530347885 /nfs/dbraw/zinc/34/78/85/530347885.db2.gz ZUGABSAVJKASNT-VIFPVBQESA-N 0 3 394.856 -0.402 20 0 GBADHN CN1CC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899659 1073735694 /nfs/dbraw/zinc/73/56/94/1073735694.db2.gz CBYCEEXWMBETKG-KCXAZCMYSA-N 0 3 382.411 -0.069 20 0 GBADHN CN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899666 1073735454 /nfs/dbraw/zinc/73/54/54/1073735454.db2.gz CBYCEEXWMBETKG-RCBQFDQVSA-N 0 3 382.411 -0.069 20 0 GBADHN CN1CC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899674 1073735949 /nfs/dbraw/zinc/73/59/49/1073735949.db2.gz CBYCEEXWMBETKG-UHOFOFEASA-N 0 3 382.411 -0.069 20 0 GBADHN CN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899683 1073735901 /nfs/dbraw/zinc/73/59/01/1073735901.db2.gz CBYCEEXWMBETKG-VBNZEHGJSA-N 0 3 382.411 -0.069 20 0 GBADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCCNCC1 ZINC000418912009 1073738642 /nfs/dbraw/zinc/73/86/42/1073738642.db2.gz WKEJSDIJBOYYSF-AWEZNQCLSA-N 0 3 382.486 -0.318 20 0 GBADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCCNCC1 ZINC000418912010 1073738688 /nfs/dbraw/zinc/73/86/88/1073738688.db2.gz WKEJSDIJBOYYSF-CQSZACIVSA-N 0 3 382.486 -0.318 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000418916097 1073738472 /nfs/dbraw/zinc/73/84/72/1073738472.db2.gz WDEXBGLGLGGTTM-GXTWGEPZSA-N 0 3 378.404 -0.458 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000418916099 1073738374 /nfs/dbraw/zinc/73/83/74/1073738374.db2.gz WDEXBGLGLGGTTM-JSGCOSHPSA-N 0 3 378.404 -0.458 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000418916100 1073738397 /nfs/dbraw/zinc/73/83/97/1073738397.db2.gz WDEXBGLGLGGTTM-OCCSQVGLSA-N 0 3 378.404 -0.458 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000418916103 1073738425 /nfs/dbraw/zinc/73/84/25/1073738425.db2.gz WDEXBGLGLGGTTM-TZMCWYRMSA-N 0 3 378.404 -0.458 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939382 1073740875 /nfs/dbraw/zinc/74/08/75/1073740875.db2.gz REKKQONXGDKWDL-AAEUAGOBSA-N 0 3 390.506 -0.949 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939383 1073741492 /nfs/dbraw/zinc/74/14/92/1073741492.db2.gz REKKQONXGDKWDL-DGCLKSJQSA-N 0 3 390.506 -0.949 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939384 1073741505 /nfs/dbraw/zinc/74/15/05/1073741505.db2.gz REKKQONXGDKWDL-WCQYABFASA-N 0 3 390.506 -0.949 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939385 1073740962 /nfs/dbraw/zinc/74/09/62/1073740962.db2.gz REKKQONXGDKWDL-YPMHNXCESA-N 0 3 390.506 -0.949 20 0 GBADHN N[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)c1ccccc1 ZINC000418941221 1073740127 /nfs/dbraw/zinc/74/01/27/1073740127.db2.gz VHAWGMHONZIYAI-HNNXBMFYSA-N 0 3 382.486 -0.362 20 0 GBADHN N[C@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)c1ccccc1 ZINC000418941222 1073740098 /nfs/dbraw/zinc/74/00/98/1073740098.db2.gz VHAWGMHONZIYAI-OAHLLOKOSA-N 0 3 382.486 -0.362 20 0 GBADHN CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418946446 1073740987 /nfs/dbraw/zinc/74/09/87/1073740987.db2.gz RHQHWGNOMFDTKI-HNNXBMFYSA-N 0 3 378.454 -0.379 20 0 GBADHN CNS(=O)(=O)CCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418946447 1073741430 /nfs/dbraw/zinc/74/14/30/1073741430.db2.gz RHQHWGNOMFDTKI-OAHLLOKOSA-N 0 3 378.454 -0.379 20 0 GBADHN O=C(NCCc1ccc(OCC(F)(F)F)nc1)C(=O)NC[C@H]1CNCCO1 ZINC000418957340 1073741892 /nfs/dbraw/zinc/74/18/92/1073741892.db2.gz DMTVXKGLNUSVAM-GFCCVEGCSA-N 0 3 390.362 -0.214 20 0 GBADHN O=C(NCCc1ccc(OCC(F)(F)F)nc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418957341 1073742227 /nfs/dbraw/zinc/74/22/27/1073742227.db2.gz DMTVXKGLNUSVAM-LBPRGKRZSA-N 0 3 390.362 -0.214 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967578 1073743144 /nfs/dbraw/zinc/74/31/44/1073743144.db2.gz SCMOBWWGLKJDKG-AXFHLTTASA-N 0 3 394.394 -0.115 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967583 1073743102 /nfs/dbraw/zinc/74/31/02/1073743102.db2.gz SCMOBWWGLKJDKG-DCAQKATOSA-N 0 3 394.394 -0.115 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967585 1073743545 /nfs/dbraw/zinc/74/35/45/1073743545.db2.gz SCMOBWWGLKJDKG-GARJFASQSA-N 0 3 394.394 -0.115 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967586 1073743623 /nfs/dbraw/zinc/74/36/23/1073743623.db2.gz SCMOBWWGLKJDKG-HBNTYKKESA-N 0 3 394.394 -0.115 20 0 GBADHN NCCN(CCO)C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418975213 530348153 /nfs/dbraw/zinc/34/81/53/530348153.db2.gz QOZKBSIXRVLEGU-UHFFFAOYSA-N 0 3 384.234 -0.279 20 0 GBADHN CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000418977129 1073743916 /nfs/dbraw/zinc/74/39/16/1073743916.db2.gz JOMFQWMOEIJGSU-UHFFFAOYSA-N 0 3 382.486 -0.189 20 0 GBADHN O=C(NCc1ccc2cncn2c1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418981968 1073745364 /nfs/dbraw/zinc/74/53/64/1073745364.db2.gz RBTCRXXDUVITAR-INIZCTEOSA-N 0 3 384.440 -0.627 20 0 GBADHN O=C(NCc1ccc2cncn2c1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418981969 1073745003 /nfs/dbraw/zinc/74/50/03/1073745003.db2.gz RBTCRXXDUVITAR-MRXNPFEDSA-N 0 3 384.440 -0.627 20 0 GBADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419011870 1073749863 /nfs/dbraw/zinc/74/98/63/1073749863.db2.gz UEIZXIVWFMGEOQ-MSOLQXFVSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419011871 1073749425 /nfs/dbraw/zinc/74/94/25/1073749425.db2.gz UEIZXIVWFMGEOQ-QZTJIDSGSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419011872 1073749600 /nfs/dbraw/zinc/74/96/00/1073749600.db2.gz UEIZXIVWFMGEOQ-ROUUACIJSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419011873 1073749901 /nfs/dbraw/zinc/74/99/01/1073749901.db2.gz UEIZXIVWFMGEOQ-ZWKOTPCHSA-N 0 3 390.484 -0.411 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419012058 1073749490 /nfs/dbraw/zinc/74/94/90/1073749490.db2.gz UQPFZUCNCVNABX-DLBZAZTESA-N 0 3 376.457 -0.719 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419012059 1073750067 /nfs/dbraw/zinc/75/00/67/1073750067.db2.gz UQPFZUCNCVNABX-IAGOWNOFSA-N 0 3 376.457 -0.719 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419012060 1073749814 /nfs/dbraw/zinc/74/98/14/1073749814.db2.gz UQPFZUCNCVNABX-IRXDYDNUSA-N 0 3 376.457 -0.719 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419012061 1073749798 /nfs/dbraw/zinc/74/97/98/1073749798.db2.gz UQPFZUCNCVNABX-SJORKVTESA-N 0 3 376.457 -0.719 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419028607 1073756438 /nfs/dbraw/zinc/75/64/38/1073756438.db2.gz QYMSEZVYMISJBD-BXUZGUMPSA-N 0 3 388.424 -0.372 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419028608 1073756449 /nfs/dbraw/zinc/75/64/49/1073756449.db2.gz QYMSEZVYMISJBD-FZMZJTMJSA-N 0 3 388.424 -0.372 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419028611 1073756360 /nfs/dbraw/zinc/75/63/60/1073756360.db2.gz QYMSEZVYMISJBD-RISCZKNCSA-N 0 3 388.424 -0.372 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419028613 1073756224 /nfs/dbraw/zinc/75/62/24/1073756224.db2.gz QYMSEZVYMISJBD-SMDDNHRTSA-N 0 3 388.424 -0.372 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419041822 1073760469 /nfs/dbraw/zinc/76/04/69/1073760469.db2.gz ZNJVBRCXKSRRGY-AEJSXWLSSA-N 0 3 380.367 -0.505 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419041829 1073760517 /nfs/dbraw/zinc/76/05/17/1073760517.db2.gz ZNJVBRCXKSRRGY-GUBZILKMSA-N 0 3 380.367 -0.505 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419041831 1073760497 /nfs/dbraw/zinc/76/04/97/1073760497.db2.gz ZNJVBRCXKSRRGY-IVZWLZJFSA-N 0 3 380.367 -0.505 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419041834 1073760449 /nfs/dbraw/zinc/76/04/49/1073760449.db2.gz ZNJVBRCXKSRRGY-LPEHRKFASA-N 0 3 380.367 -0.505 20 0 GBADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(CCN)CCO)nc12 ZINC000419043953 530348099 /nfs/dbraw/zinc/34/80/99/530348099.db2.gz ORFGLUNMCLEHSB-UHFFFAOYSA-N 0 3 398.261 -0.199 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051233 1073764494 /nfs/dbraw/zinc/76/44/94/1073764494.db2.gz FNJNAERMEVDAHN-KBPBESRZSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051234 1073764513 /nfs/dbraw/zinc/76/45/13/1073764513.db2.gz FNJNAERMEVDAHN-KGLIPLIRSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051235 1073764192 /nfs/dbraw/zinc/76/41/92/1073764192.db2.gz FNJNAERMEVDAHN-UONOGXRCSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051236 1073764100 /nfs/dbraw/zinc/76/41/00/1073764100.db2.gz FNJNAERMEVDAHN-ZIAGYGMSSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053179 1073763666 /nfs/dbraw/zinc/76/36/66/1073763666.db2.gz IYCIBBLJDQDQSP-DLBZAZTESA-N 0 3 388.468 -0.559 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053181 1073763430 /nfs/dbraw/zinc/76/34/30/1073763430.db2.gz IYCIBBLJDQDQSP-IAGOWNOFSA-N 0 3 388.468 -0.559 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053182 1073763510 /nfs/dbraw/zinc/76/35/10/1073763510.db2.gz IYCIBBLJDQDQSP-IRXDYDNUSA-N 0 3 388.468 -0.559 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053184 1073763568 /nfs/dbraw/zinc/76/35/68/1073763568.db2.gz IYCIBBLJDQDQSP-SJORKVTESA-N 0 3 388.468 -0.559 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055397 530348150 /nfs/dbraw/zinc/34/81/50/530348150.db2.gz JLFWEGROVXDIRS-NEPJUHHUSA-N 0 3 375.491 -0.453 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055398 530348194 /nfs/dbraw/zinc/34/81/94/530348194.db2.gz JLFWEGROVXDIRS-NWDGAFQWSA-N 0 3 375.491 -0.453 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055399 530347985 /nfs/dbraw/zinc/34/79/85/530347985.db2.gz JLFWEGROVXDIRS-RYUDHWBXSA-N 0 3 375.491 -0.453 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055400 530348171 /nfs/dbraw/zinc/34/81/71/530348171.db2.gz JLFWEGROVXDIRS-VXGBXAGGSA-N 0 3 375.491 -0.453 20 0 GBADHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C(=O)NC[C@H]1CNCCO1 ZINC000419060480 1073767814 /nfs/dbraw/zinc/76/78/14/1073767814.db2.gz DWSFOQYOPLUHCG-GFCCVEGCSA-N 0 3 383.832 -0.126 20 0 GBADHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C(=O)NC[C@@H]1CNCCO1 ZINC000419060482 1073767727 /nfs/dbraw/zinc/76/77/27/1073767727.db2.gz DWSFOQYOPLUHCG-LBPRGKRZSA-N 0 3 383.832 -0.126 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065190 1073769575 /nfs/dbraw/zinc/76/95/75/1073769575.db2.gz PRRRPPBPWQEYNA-BXUZGUMPSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065192 1073769282 /nfs/dbraw/zinc/76/92/82/1073769282.db2.gz PRRRPPBPWQEYNA-FZMZJTMJSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065193 1073769489 /nfs/dbraw/zinc/76/94/89/1073769489.db2.gz PRRRPPBPWQEYNA-RISCZKNCSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065194 1073769331 /nfs/dbraw/zinc/76/93/31/1073769331.db2.gz PRRRPPBPWQEYNA-SMDDNHRTSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066866 1073770253 /nfs/dbraw/zinc/77/02/53/1073770253.db2.gz RFQOCHVOHXALES-GWCFXTLKSA-N 0 3 382.367 -0.709 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066867 1073769932 /nfs/dbraw/zinc/76/99/32/1073769932.db2.gz RFQOCHVOHXALES-GXFFZTMASA-N 0 3 382.367 -0.709 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066868 1073770425 /nfs/dbraw/zinc/77/04/25/1073770425.db2.gz RFQOCHVOHXALES-MFKMUULPSA-N 0 3 382.367 -0.709 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066869 1073770454 /nfs/dbraw/zinc/77/04/54/1073770454.db2.gz RFQOCHVOHXALES-ZWNOBZJWSA-N 0 3 382.367 -0.709 20 0 GBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1=O ZINC000419069643 1073772174 /nfs/dbraw/zinc/77/21/74/1073772174.db2.gz USTLHBSKJKJUTM-CHWSQXEVSA-N 0 3 376.413 -0.979 20 0 GBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1=O ZINC000419069673 1073771759 /nfs/dbraw/zinc/77/17/59/1073771759.db2.gz USTLHBSKJKJUTM-OLZOCXBDSA-N 0 3 376.413 -0.979 20 0 GBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1=O ZINC000419069674 1073772134 /nfs/dbraw/zinc/77/21/34/1073772134.db2.gz USTLHBSKJKJUTM-QWHCGFSZSA-N 0 3 376.413 -0.979 20 0 GBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1=O ZINC000419069676 1073771929 /nfs/dbraw/zinc/77/19/29/1073771929.db2.gz USTLHBSKJKJUTM-STQMWFEESA-N 0 3 376.413 -0.979 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070361 1073771170 /nfs/dbraw/zinc/77/11/70/1073771170.db2.gz VFJUVIASFRBGRJ-BXUZGUMPSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070362 1073771090 /nfs/dbraw/zinc/77/10/90/1073771090.db2.gz VFJUVIASFRBGRJ-FZMZJTMJSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070363 1073771267 /nfs/dbraw/zinc/77/12/67/1073771267.db2.gz VFJUVIASFRBGRJ-RISCZKNCSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070364 1073770863 /nfs/dbraw/zinc/77/08/63/1073770863.db2.gz VFJUVIASFRBGRJ-SMDDNHRTSA-N 0 3 398.822 -0.195 20 0 GBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419078487 1073773992 /nfs/dbraw/zinc/77/39/92/1073773992.db2.gz LCWIFBDNQUDQDG-DLBZAZTESA-N 0 3 393.532 -0.210 20 0 GBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419078489 1073774188 /nfs/dbraw/zinc/77/41/88/1073774188.db2.gz LCWIFBDNQUDQDG-IAGOWNOFSA-N 0 3 393.532 -0.210 20 0 GBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419078491 1073773901 /nfs/dbraw/zinc/77/39/01/1073773901.db2.gz LCWIFBDNQUDQDG-IRXDYDNUSA-N 0 3 393.532 -0.210 20 0 GBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419078493 1073774139 /nfs/dbraw/zinc/77/41/39/1073774139.db2.gz LCWIFBDNQUDQDG-SJORKVTESA-N 0 3 393.532 -0.210 20 0 GBADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000419103471 1073782023 /nfs/dbraw/zinc/78/20/23/1073782023.db2.gz RXMHJBPJFHIVNB-AWEZNQCLSA-N 0 3 375.429 -0.406 20 0 GBADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000419103479 1073781911 /nfs/dbraw/zinc/78/19/11/1073781911.db2.gz RXMHJBPJFHIVNB-CQSZACIVSA-N 0 3 375.429 -0.406 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106710 1073780979 /nfs/dbraw/zinc/78/09/79/1073780979.db2.gz DKVCPVDKQNFOEH-BXUZGUMPSA-N 0 3 398.485 -0.097 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106711 1073781319 /nfs/dbraw/zinc/78/13/19/1073781319.db2.gz DKVCPVDKQNFOEH-FZMZJTMJSA-N 0 3 398.485 -0.097 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106712 1073781384 /nfs/dbraw/zinc/78/13/84/1073781384.db2.gz DKVCPVDKQNFOEH-RISCZKNCSA-N 0 3 398.485 -0.097 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106713 1073780925 /nfs/dbraw/zinc/78/09/25/1073780925.db2.gz DKVCPVDKQNFOEH-SMDDNHRTSA-N 0 3 398.485 -0.097 20 0 GBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cn2)CC1 ZINC000419108856 1073781089 /nfs/dbraw/zinc/78/10/89/1073781089.db2.gz GPJLWXGUYNJUGA-CALCHBBNSA-N 0 3 386.500 -0.198 20 0 GBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CCCNCC3)C2=O)c1 ZINC000419110393 1073780882 /nfs/dbraw/zinc/78/08/82/1073780882.db2.gz NWMVRVFQAPTGQL-INIZCTEOSA-N 0 3 390.440 -0.253 20 0 GBADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CCCNCC3)C2=O)c1 ZINC000419110394 1073781269 /nfs/dbraw/zinc/78/12/69/1073781269.db2.gz NWMVRVFQAPTGQL-MRXNPFEDSA-N 0 3 390.440 -0.253 20 0 GBADHN NC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000419128886 530348513 /nfs/dbraw/zinc/34/85/13/530348513.db2.gz CEFSSJKLLYKUFP-CYBMUJFWSA-N 0 3 388.877 -0.412 20 0 GBADHN NC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000419128888 530348533 /nfs/dbraw/zinc/34/85/33/530348533.db2.gz CEFSSJKLLYKUFP-ZDUSSCGKSA-N 0 3 388.877 -0.412 20 0 GBADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCCNCC1 ZINC000419130238 530348307 /nfs/dbraw/zinc/34/83/07/530348307.db2.gz FACHJUKWKCECDQ-UHFFFAOYSA-N 0 3 388.877 -0.444 20 0 GBADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419139126 530348238 /nfs/dbraw/zinc/34/82/38/530348238.db2.gz UGJDJIASIPHFJO-JTQLQIEISA-N 0 3 376.866 -0.460 20 0 GBADHN C[C@H](CN)N(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419139129 530348516 /nfs/dbraw/zinc/34/85/16/530348516.db2.gz UGJDJIASIPHFJO-SNVBAGLBSA-N 0 3 376.866 -0.460 20 0 GBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000419141153 1073791996 /nfs/dbraw/zinc/79/19/96/1073791996.db2.gz ASRDRHUHJDUUAV-CALCHBBNSA-N 0 3 386.500 -0.198 20 0 GBADHN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419141923 1073792736 /nfs/dbraw/zinc/79/27/36/1073792736.db2.gz BGJKOPXCNSVEFA-DLBZAZTESA-N 0 3 394.447 -0.580 20 0 GBADHN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419141924 1073793011 /nfs/dbraw/zinc/79/30/11/1073793011.db2.gz BGJKOPXCNSVEFA-IAGOWNOFSA-N 0 3 394.447 -0.580 20 0 GBADHN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419141926 1073793249 /nfs/dbraw/zinc/79/32/49/1073793249.db2.gz BGJKOPXCNSVEFA-IRXDYDNUSA-N 0 3 394.447 -0.580 20 0 GBADHN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419141928 1073793065 /nfs/dbraw/zinc/79/30/65/1073793065.db2.gz BGJKOPXCNSVEFA-SJORKVTESA-N 0 3 394.447 -0.580 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](CN)CC(C)C)s1 ZINC000419148857 530348251 /nfs/dbraw/zinc/34/82/51/530348251.db2.gz JQLKIRIJZUQPJV-GFCCVEGCSA-N 0 3 390.531 -0.059 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](CN)CC(C)C)s1 ZINC000419148858 530348508 /nfs/dbraw/zinc/34/85/08/530348508.db2.gz JQLKIRIJZUQPJV-LBPRGKRZSA-N 0 3 390.531 -0.059 20 0 GBADHN O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N1CCCNCC1 ZINC000419155000 1073799303 /nfs/dbraw/zinc/79/93/03/1073799303.db2.gz SHJGLZQQTIWRIT-UHFFFAOYSA-N 0 3 390.484 -0.164 20 0 GBADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)N1CCCNCC1 ZINC000419155786 1073799247 /nfs/dbraw/zinc/79/92/47/1073799247.db2.gz UNIPSCBNZNHROU-UHFFFAOYSA-N 0 3 390.484 -0.164 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@@H](C)CN1 ZINC000419160467 1073795643 /nfs/dbraw/zinc/79/56/43/1073795643.db2.gz HLIOCGGEVNNABB-CVEARBPZSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@@H](C)CN1 ZINC000419160468 1073795913 /nfs/dbraw/zinc/79/59/13/1073795913.db2.gz HLIOCGGEVNNABB-HOTGVXAUSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@H](C)CN1 ZINC000419160469 1073795681 /nfs/dbraw/zinc/79/56/81/1073795681.db2.gz HLIOCGGEVNNABB-HZPDHXFCSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419160470 1073795877 /nfs/dbraw/zinc/79/58/77/1073795877.db2.gz HLIOCGGEVNNABB-JKSUJKDBSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)N1CCC(C)CC1 ZINC000419162583 1073796386 /nfs/dbraw/zinc/79/63/86/1073796386.db2.gz UXMUEXPMQDSYPO-DLBZAZTESA-N 0 3 393.532 -0.354 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)N1CCC(C)CC1 ZINC000419162584 1073796737 /nfs/dbraw/zinc/79/67/37/1073796737.db2.gz UXMUEXPMQDSYPO-IAGOWNOFSA-N 0 3 393.532 -0.354 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)N1CCC(C)CC1 ZINC000419162587 1073796806 /nfs/dbraw/zinc/79/68/06/1073796806.db2.gz UXMUEXPMQDSYPO-IRXDYDNUSA-N 0 3 393.532 -0.354 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)N1CCC(C)CC1 ZINC000419162589 1073796670 /nfs/dbraw/zinc/79/66/70/1073796670.db2.gz UXMUEXPMQDSYPO-SJORKVTESA-N 0 3 393.532 -0.354 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C)CN1 ZINC000419163982 1073797478 /nfs/dbraw/zinc/79/74/78/1073797478.db2.gz MIARZYZVKRFCKG-CABCVRRESA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C)CN1 ZINC000419163983 1073797281 /nfs/dbraw/zinc/79/72/81/1073797281.db2.gz MIARZYZVKRFCKG-GJZGRUSLSA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C)CN1 ZINC000419163984 1073797221 /nfs/dbraw/zinc/79/72/21/1073797221.db2.gz MIARZYZVKRFCKG-HUUCEWRRSA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419163985 1073797195 /nfs/dbraw/zinc/79/71/95/1073797195.db2.gz MIARZYZVKRFCKG-LSDHHAIUSA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CCN1 ZINC000419166428 1073797335 /nfs/dbraw/zinc/79/73/35/1073797335.db2.gz OPNCWHQNENYNQT-AWEZNQCLSA-N 0 3 381.521 -0.450 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CCN1 ZINC000419166429 1073797545 /nfs/dbraw/zinc/79/75/45/1073797545.db2.gz OPNCWHQNENYNQT-CQSZACIVSA-N 0 3 381.521 -0.450 20 0 GBADHN C[C@H]1CNCCN1C(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419168221 1073798157 /nfs/dbraw/zinc/79/81/57/1073798157.db2.gz QDSVANAIOXCICY-AWEZNQCLSA-N 0 3 381.521 -0.450 20 0 GBADHN C[C@@H]1CNCCN1C(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419168224 1073797938 /nfs/dbraw/zinc/79/79/38/1073797938.db2.gz QDSVANAIOXCICY-CQSZACIVSA-N 0 3 381.521 -0.450 20 0 GBADHN CC1(C)CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCN1 ZINC000419171003 1073799436 /nfs/dbraw/zinc/79/94/36/1073799436.db2.gz SYDSFPWTAGZNAJ-UHFFFAOYSA-N 0 3 389.504 -0.685 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H](C)N1 ZINC000419171710 1073800559 /nfs/dbraw/zinc/80/05/59/1073800559.db2.gz UGJVPGHNIKTSCG-GASCZTMLSA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H](C)N1 ZINC000419171711 1073800380 /nfs/dbraw/zinc/80/03/80/1073800380.db2.gz UGJVPGHNIKTSCG-GJZGRUSLSA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@H](C)N1 ZINC000419171712 1073799929 /nfs/dbraw/zinc/79/99/29/1073799929.db2.gz UGJVPGHNIKTSCG-HUUCEWRRSA-N 0 3 395.548 -0.062 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H](C)N1 ZINC000419172115 1073800608 /nfs/dbraw/zinc/80/06/08/1073800608.db2.gz UJCBHYATBDSJFL-HOTGVXAUSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@@H](C)N1 ZINC000419172117 1073800033 /nfs/dbraw/zinc/80/00/33/1073800033.db2.gz UJCBHYATBDSJFL-HZPDHXFCSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H](C)N1 ZINC000419172120 1073800845 /nfs/dbraw/zinc/80/08/45/1073800845.db2.gz UJCBHYATBDSJFL-IYBDPMFKSA-N 0 3 389.504 -0.686 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173562 1073800581 /nfs/dbraw/zinc/80/05/81/1073800581.db2.gz VLHRFXJATOTWHD-GXTWGEPZSA-N 0 3 398.485 -0.690 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173564 1073800419 /nfs/dbraw/zinc/80/04/19/1073800419.db2.gz VLHRFXJATOTWHD-JSGCOSHPSA-N 0 3 398.485 -0.690 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173565 1073800792 /nfs/dbraw/zinc/80/07/92/1073800792.db2.gz VLHRFXJATOTWHD-OCCSQVGLSA-N 0 3 398.485 -0.690 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173566 1073799889 /nfs/dbraw/zinc/79/98/89/1073799889.db2.gz VLHRFXJATOTWHD-TZMCWYRMSA-N 0 3 398.485 -0.690 20 0 GBADHN CS(=O)(=O)NCCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419174519 1073801058 /nfs/dbraw/zinc/80/10/58/1073801058.db2.gz WGYMPJGCELLRCM-HNNXBMFYSA-N 0 3 378.454 -0.379 20 0 GBADHN CS(=O)(=O)NCCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419174520 1073801520 /nfs/dbraw/zinc/80/15/20/1073801520.db2.gz WGYMPJGCELLRCM-OAHLLOKOSA-N 0 3 378.454 -0.379 20 0 GBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N1CCCNCC1 ZINC000419174560 1073801170 /nfs/dbraw/zinc/80/11/70/1073801170.db2.gz WLGDBNXTBYWIBF-UHFFFAOYSA-N 0 3 379.461 -0.431 20 0 GBADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCC(F)(F)CN)CC1 ZINC000419174893 1073801341 /nfs/dbraw/zinc/80/13/41/1073801341.db2.gz WZMUIQABBZIOOC-UHFFFAOYSA-N 0 3 391.463 -0.561 20 0 GBADHN NCCNC(=O)C(=O)NCCOc1ccc(I)cc1 ZINC000419175857 530348436 /nfs/dbraw/zinc/34/84/36/530348436.db2.gz PXZWAYVHLNXHQA-UHFFFAOYSA-N 0 3 377.182 -0.139 20 0 GBADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)N2CCNC(C)(C)C2)CC1 ZINC000419176313 1073803071 /nfs/dbraw/zinc/80/30/71/1073803071.db2.gz YRNZGJXMQHRRDA-UHFFFAOYSA-N 0 3 395.548 -0.060 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177791 1073804230 /nfs/dbraw/zinc/80/42/30/1073804230.db2.gz SJEWAGXVWUYHDJ-GUTXKFCHSA-N 0 3 378.477 -0.266 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177792 1073803933 /nfs/dbraw/zinc/80/39/33/1073803933.db2.gz SJEWAGXVWUYHDJ-GZBFAFLISA-N 0 3 378.477 -0.266 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177794 1073804338 /nfs/dbraw/zinc/80/43/38/1073804338.db2.gz SJEWAGXVWUYHDJ-KCQAQPDRSA-N 0 3 378.477 -0.266 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177796 1073802370 /nfs/dbraw/zinc/80/23/70/1073802370.db2.gz SJEWAGXVWUYHDJ-YDHLFZDLSA-N 0 3 378.477 -0.266 20 0 GBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419195587 530348920 /nfs/dbraw/zinc/34/89/20/530348920.db2.gz YECGKTKUIHVJHI-CYBMUJFWSA-N 0 3 399.289 -0.076 20 0 GBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419195588 530348691 /nfs/dbraw/zinc/34/86/91/530348691.db2.gz YECGKTKUIHVJHI-ZDUSSCGKSA-N 0 3 399.289 -0.076 20 0 GBADHN O=C1CCc2cc(OC[C@@H](O)CN(CCO)CCN3CCOCC3)ccc2N1 ZINC000419200997 1072295465 /nfs/dbraw/zinc/29/54/65/1072295465.db2.gz BKPZOXRADCYMCW-KRWDZBQOSA-N 0 3 393.484 -0.063 20 0 GBADHN O=C1CCc2cc(OC[C@H](O)CN(CCO)CCN3CCOCC3)ccc2N1 ZINC000419200998 1072295221 /nfs/dbraw/zinc/29/52/21/1072295221.db2.gz BKPZOXRADCYMCW-QGZVFWFLSA-N 0 3 393.484 -0.063 20 0 GBADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c1 ZINC000419203248 1073811778 /nfs/dbraw/zinc/81/17/78/1073811778.db2.gz NZGLYGXBFTYQGW-CXAGYDPISA-N 0 3 392.456 -0.497 20 0 GBADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c1 ZINC000419203249 1073811767 /nfs/dbraw/zinc/81/17/67/1073811767.db2.gz NZGLYGXBFTYQGW-DYVFJYSZSA-N 0 3 392.456 -0.497 20 0 GBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c1 ZINC000419203250 1073811545 /nfs/dbraw/zinc/81/15/45/1073811545.db2.gz NZGLYGXBFTYQGW-GUYCJALGSA-N 0 3 392.456 -0.497 20 0 GBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c1 ZINC000419203251 1073810823 /nfs/dbraw/zinc/81/08/23/1073810823.db2.gz NZGLYGXBFTYQGW-SUMWQHHRSA-N 0 3 392.456 -0.497 20 0 GBADHN CN1CCN(c2cc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)ccn2)CC1 ZINC000419207728 1073826671 /nfs/dbraw/zinc/82/66/71/1073826671.db2.gz PNLNDNLAMDJBBL-CALCHBBNSA-N 0 3 386.500 -0.198 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000419208682 1073821274 /nfs/dbraw/zinc/82/12/74/1073821274.db2.gz OJTAGIJRQGTDMC-LTIDMASMSA-N 0 3 386.452 -0.636 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000419208683 1073821389 /nfs/dbraw/zinc/82/13/89/1073821389.db2.gz OJTAGIJRQGTDMC-QZWWFDLISA-N 0 3 386.452 -0.636 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000419208684 1073821943 /nfs/dbraw/zinc/82/19/43/1073821943.db2.gz OJTAGIJRQGTDMC-TWMKSMIVSA-N 0 3 386.452 -0.636 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000419208685 1073821718 /nfs/dbraw/zinc/82/17/18/1073821718.db2.gz OJTAGIJRQGTDMC-YYIAUSFCSA-N 0 3 386.452 -0.636 20 0 GBADHN CC1=CCN(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000419228946 1073869089 /nfs/dbraw/zinc/86/90/89/1073869089.db2.gz WFAGAAJAFJASMM-KRWDZBQOSA-N 0 3 391.516 -0.575 20 0 GBADHN CC1=CCN(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000419228947 1073868896 /nfs/dbraw/zinc/86/88/96/1073868896.db2.gz WFAGAAJAFJASMM-QGZVFWFLSA-N 0 3 391.516 -0.575 20 0 GBADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1=O ZINC000419256561 1073887418 /nfs/dbraw/zinc/88/74/18/1073887418.db2.gz XOYQZXAYZKLSPK-GFCCVEGCSA-N 0 3 394.453 -0.422 20 0 GBADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CCCNCC2)C1=O ZINC000419256562 1073887244 /nfs/dbraw/zinc/88/72/44/1073887244.db2.gz XOYQZXAYZKLSPK-LBPRGKRZSA-N 0 3 394.453 -0.422 20 0 GBADHN CC(C)(CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc2c(c1)OCCO2 ZINC000419303183 1073900534 /nfs/dbraw/zinc/90/05/34/1073900534.db2.gz NQTODOJHECUYFY-AWEZNQCLSA-N 0 3 377.441 -0.044 20 0 GBADHN CC(C)(CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc2c(c1)OCCO2 ZINC000419303184 1073900309 /nfs/dbraw/zinc/90/03/09/1073900309.db2.gz NQTODOJHECUYFY-CQSZACIVSA-N 0 3 377.441 -0.044 20 0 GBADHN COc1cc(OC)cc(OCCCNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419308988 1073901089 /nfs/dbraw/zinc/90/10/89/1073901089.db2.gz BFLPMIKVGBNVEI-INIZCTEOSA-N 0 3 381.429 -0.307 20 0 GBADHN COc1cc(OC)cc(OCCCNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419308989 1073901495 /nfs/dbraw/zinc/90/14/95/1073901495.db2.gz BFLPMIKVGBNVEI-MRXNPFEDSA-N 0 3 381.429 -0.307 20 0 GBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCCNCC3)C2)nc1 ZINC000419311695 1073902007 /nfs/dbraw/zinc/90/20/07/1073902007.db2.gz IVGXIRCHDKFVJK-UHFFFAOYSA-N 0 3 375.429 -0.615 20 0 GBADHN Cc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)N2CCOCC2)c1 ZINC000419338420 1073913253 /nfs/dbraw/zinc/91/32/53/1073913253.db2.gz BZFQHCLTSQALTK-MSOLQXFVSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)N2CCOCC2)c1 ZINC000419338421 1073913199 /nfs/dbraw/zinc/91/31/99/1073913199.db2.gz BZFQHCLTSQALTK-QZTJIDSGSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)N2CCOCC2)c1 ZINC000419338422 1073913033 /nfs/dbraw/zinc/91/30/33/1073913033.db2.gz BZFQHCLTSQALTK-ROUUACIJSA-N 0 3 390.484 -0.411 20 0 GBADHN Cc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)N2CCOCC2)c1 ZINC000419338423 1073913215 /nfs/dbraw/zinc/91/32/15/1073913215.db2.gz BZFQHCLTSQALTK-ZWKOTPCHSA-N 0 3 390.484 -0.411 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343551 1073913798 /nfs/dbraw/zinc/91/37/98/1073913798.db2.gz FXRTVNOFJDMAQJ-DOMZBBRYSA-N 0 3 394.447 -0.170 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343552 1073914295 /nfs/dbraw/zinc/91/42/95/1073914295.db2.gz FXRTVNOFJDMAQJ-IUODEOHRSA-N 0 3 394.447 -0.170 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343553 1073913808 /nfs/dbraw/zinc/91/38/08/1073913808.db2.gz FXRTVNOFJDMAQJ-SWLSCSKDSA-N 0 3 394.447 -0.170 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343554 1073913786 /nfs/dbraw/zinc/91/37/86/1073913786.db2.gz FXRTVNOFJDMAQJ-WFASDCNBSA-N 0 3 394.447 -0.170 20 0 GBADHN CCN1CCN(c2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cn2)CC1 ZINC000419344854 1073916354 /nfs/dbraw/zinc/91/63/54/1073916354.db2.gz SIKLYPSRIFTQRT-UHFFFAOYSA-N 0 3 384.431 -0.450 20 0 GBADHN O=C(CCNC(=O)C(=O)N1CCCNCC1)N1CCN(c2ccccc2)CC1 ZINC000419348995 1073918541 /nfs/dbraw/zinc/91/85/41/1073918541.db2.gz SXRKITIFZXILGS-UHFFFAOYSA-N 0 3 387.484 -0.337 20 0 GBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419371841 1073929602 /nfs/dbraw/zinc/92/96/02/1073929602.db2.gz FFLZVJHXFXCNGX-DOMZBBRYSA-N 0 3 376.457 -0.066 20 0 GBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419371842 1073929345 /nfs/dbraw/zinc/92/93/45/1073929345.db2.gz FFLZVJHXFXCNGX-IUODEOHRSA-N 0 3 376.457 -0.066 20 0 GBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419371843 1073929284 /nfs/dbraw/zinc/92/92/84/1073929284.db2.gz FFLZVJHXFXCNGX-SWLSCSKDSA-N 0 3 376.457 -0.066 20 0 GBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419371844 1073929663 /nfs/dbraw/zinc/92/96/63/1073929663.db2.gz FFLZVJHXFXCNGX-WFASDCNBSA-N 0 3 376.457 -0.066 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384929 1073939527 /nfs/dbraw/zinc/93/95/27/1073939527.db2.gz KXCOMNYJBNHTET-KBPBESRZSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384930 1073939432 /nfs/dbraw/zinc/93/94/32/1073939432.db2.gz KXCOMNYJBNHTET-KGLIPLIRSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384931 1073939476 /nfs/dbraw/zinc/93/94/76/1073939476.db2.gz KXCOMNYJBNHTET-UONOGXRCSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384932 1073939689 /nfs/dbraw/zinc/93/96/89/1073939689.db2.gz KXCOMNYJBNHTET-ZIAGYGMSSA-N 0 3 380.832 -0.334 20 0 GBADHN O=C(NCCOc1ccc(C(F)(F)F)cn1)C(=O)NC[C@H]1CNCCO1 ZINC000419401233 1072162453 /nfs/dbraw/zinc/16/24/53/1072162453.db2.gz NGQRFFDPGQSXIF-LLVKDONJSA-N 0 3 376.335 -0.300 20 0 GBADHN O=C(NCCOc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CNCCO1 ZINC000419401234 1072162508 /nfs/dbraw/zinc/16/25/08/1072162508.db2.gz NGQRFFDPGQSXIF-NSHDSACASA-N 0 3 376.335 -0.300 20 0 GBADHN O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000419403232 530348782 /nfs/dbraw/zinc/34/87/82/530348782.db2.gz PTGSOMAZCTVMGP-JTQLQIEISA-N 0 3 377.228 -0.012 20 0 GBADHN O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000419403234 530348686 /nfs/dbraw/zinc/34/86/86/530348686.db2.gz PTGSOMAZCTVMGP-SNVBAGLBSA-N 0 3 377.228 -0.012 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419404325 1072162551 /nfs/dbraw/zinc/16/25/51/1072162551.db2.gz SZNNPXJUPAGDAK-DLBZAZTESA-N 0 3 392.525 -0.175 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419404327 1072162535 /nfs/dbraw/zinc/16/25/35/1072162535.db2.gz SZNNPXJUPAGDAK-IAGOWNOFSA-N 0 3 392.525 -0.175 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419404329 1072162123 /nfs/dbraw/zinc/16/21/23/1072162123.db2.gz SZNNPXJUPAGDAK-IRXDYDNUSA-N 0 3 392.525 -0.175 20 0 GBADHN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419404493 1072162035 /nfs/dbraw/zinc/16/20/35/1072162035.db2.gz SZNNPXJUPAGDAK-SJORKVTESA-N 0 3 392.525 -0.175 20 0 GBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000419413074 1072165194 /nfs/dbraw/zinc/16/51/94/1072165194.db2.gz RLCLSJSATMOAQS-CVEARBPZSA-N 0 3 379.505 -0.743 20 0 GBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000419413075 1072165127 /nfs/dbraw/zinc/16/51/27/1072165127.db2.gz RLCLSJSATMOAQS-HOTGVXAUSA-N 0 3 379.505 -0.743 20 0 GBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000419413076 1072165796 /nfs/dbraw/zinc/16/57/96/1072165796.db2.gz RLCLSJSATMOAQS-HZPDHXFCSA-N 0 3 379.505 -0.743 20 0 GBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000419413077 1072165437 /nfs/dbraw/zinc/16/54/37/1072165437.db2.gz RLCLSJSATMOAQS-JKSUJKDBSA-N 0 3 379.505 -0.743 20 0 GBADHN O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000419416559 530348794 /nfs/dbraw/zinc/34/87/94/530348794.db2.gz WNLOUOMSLODIDC-UHFFFAOYSA-N 0 3 385.262 -0.208 20 0 GBADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419416595 1072165491 /nfs/dbraw/zinc/16/54/91/1072165491.db2.gz WLDUTIZOUKDNIT-INIZCTEOSA-N 0 3 379.505 -0.743 20 0 GBADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419416597 1072165253 /nfs/dbraw/zinc/16/52/53/1072165253.db2.gz WLDUTIZOUKDNIT-MRXNPFEDSA-N 0 3 379.505 -0.743 20 0 GBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419419147 1072163414 /nfs/dbraw/zinc/16/34/14/1072163414.db2.gz LZDVIKMSHKNPSI-BXUZGUMPSA-N 0 3 398.485 -0.560 20 0 GBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419419148 1072163449 /nfs/dbraw/zinc/16/34/49/1072163449.db2.gz LZDVIKMSHKNPSI-FZMZJTMJSA-N 0 3 398.485 -0.560 20 0 GBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419419149 1072163337 /nfs/dbraw/zinc/16/33/37/1072163337.db2.gz LZDVIKMSHKNPSI-RISCZKNCSA-N 0 3 398.485 -0.560 20 0 GBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419419150 1072163495 /nfs/dbraw/zinc/16/34/95/1072163495.db2.gz LZDVIKMSHKNPSI-SMDDNHRTSA-N 0 3 398.485 -0.560 20 0 GBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419420629 1072163635 /nfs/dbraw/zinc/16/36/35/1072163635.db2.gz JZYDBNRPOWPOKN-CVEARBPZSA-N 0 3 379.505 -0.600 20 0 GBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419420631 1072163515 /nfs/dbraw/zinc/16/35/15/1072163515.db2.gz JZYDBNRPOWPOKN-HOTGVXAUSA-N 0 3 379.505 -0.600 20 0 GBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419420633 1072163260 /nfs/dbraw/zinc/16/32/60/1072163260.db2.gz JZYDBNRPOWPOKN-HZPDHXFCSA-N 0 3 379.505 -0.600 20 0 GBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419420636 1072163221 /nfs/dbraw/zinc/16/32/21/1072163221.db2.gz JZYDBNRPOWPOKN-JKSUJKDBSA-N 0 3 379.505 -0.600 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429511 1072164214 /nfs/dbraw/zinc/16/42/14/1072164214.db2.gz JMXHNQQOCPBQOF-DZGCQCFKSA-N 0 3 376.457 -0.010 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429512 1072164173 /nfs/dbraw/zinc/16/41/73/1072164173.db2.gz JMXHNQQOCPBQOF-HIFRSBDPSA-N 0 3 376.457 -0.010 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429513 1072164579 /nfs/dbraw/zinc/16/45/79/1072164579.db2.gz JMXHNQQOCPBQOF-UKRRQHHQSA-N 0 3 376.457 -0.010 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429514 1072164352 /nfs/dbraw/zinc/16/43/52/1072164352.db2.gz JMXHNQQOCPBQOF-ZFWWWQNUSA-N 0 3 376.457 -0.010 20 0 GBADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419443782 1072167377 /nfs/dbraw/zinc/16/73/77/1072167377.db2.gz BZSKWCLHMNLSEW-AEFFLSMTSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419443785 1072167362 /nfs/dbraw/zinc/16/73/62/1072167362.db2.gz BZSKWCLHMNLSEW-FUHWJXTLSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419443788 1072167237 /nfs/dbraw/zinc/16/72/37/1072167237.db2.gz BZSKWCLHMNLSEW-SJLPKXTDSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419443792 1072167652 /nfs/dbraw/zinc/16/76/52/1072167652.db2.gz BZSKWCLHMNLSEW-WMZOPIPTSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456503 1072166622 /nfs/dbraw/zinc/16/66/22/1072166622.db2.gz SQMMXUSLEPNPQN-DZGCQCFKSA-N 0 3 391.472 -0.572 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456507 1072166530 /nfs/dbraw/zinc/16/65/30/1072166530.db2.gz SQMMXUSLEPNPQN-HIFRSBDPSA-N 0 3 391.472 -0.572 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456508 1072166205 /nfs/dbraw/zinc/16/62/05/1072166205.db2.gz SQMMXUSLEPNPQN-UKRRQHHQSA-N 0 3 391.472 -0.572 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456509 1072166565 /nfs/dbraw/zinc/16/65/65/1072166565.db2.gz SQMMXUSLEPNPQN-ZFWWWQNUSA-N 0 3 391.472 -0.572 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419470749 530348933 /nfs/dbraw/zinc/34/89/33/530348933.db2.gz AZYQGNGPRQZEKX-SECBINFHSA-N 0 3 394.906 -0.336 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419470751 530348762 /nfs/dbraw/zinc/34/87/62/530348762.db2.gz AZYQGNGPRQZEKX-VIFPVBQESA-N 0 3 394.906 -0.336 20 0 GBADHN O=C(NCCOc1ncccc1C(F)(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000419477578 1072169127 /nfs/dbraw/zinc/16/91/27/1072169127.db2.gz RMTDBJNOEIEFIK-JTQLQIEISA-N 0 3 376.335 -0.300 20 0 GBADHN O=C(NCCOc1ncccc1C(F)(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000419477579 1072170001 /nfs/dbraw/zinc/17/00/01/1072170001.db2.gz RMTDBJNOEIEFIK-SNVBAGLBSA-N 0 3 376.335 -0.300 20 0 GBADHN C[C@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419484347 530349152 /nfs/dbraw/zinc/34/91/52/530349152.db2.gz BWOPVPMJPLFFPO-MRVPVSSYSA-N 0 3 382.895 -0.351 20 0 GBADHN C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419484349 530349348 /nfs/dbraw/zinc/34/93/48/530349348.db2.gz BWOPVPMJPLFFPO-QMMMGPOBSA-N 0 3 382.895 -0.351 20 0 GBADHN C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419484351 530349089 /nfs/dbraw/zinc/34/90/89/530349089.db2.gz BWQXREATTOSRNN-MRVPVSSYSA-N 0 3 382.895 -0.480 20 0 GBADHN C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419484354 530349076 /nfs/dbraw/zinc/34/90/76/530349076.db2.gz BWQXREATTOSRNN-QMMMGPOBSA-N 0 3 382.895 -0.480 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419484482 530349344 /nfs/dbraw/zinc/34/93/44/530349344.db2.gz CKTOGHKRZOAZJZ-MRVPVSSYSA-N 0 3 380.879 -0.726 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419484484 530349140 /nfs/dbraw/zinc/34/91/40/530349140.db2.gz CKTOGHKRZOAZJZ-QMMMGPOBSA-N 0 3 380.879 -0.726 20 0 GBADHN CC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419486192 530349304 /nfs/dbraw/zinc/34/93/04/530349304.db2.gz FERQGODBCXFJOS-UHFFFAOYSA-N 0 3 382.895 -0.478 20 0 GBADHN CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000419486469 530349133 /nfs/dbraw/zinc/34/91/33/530349133.db2.gz ACMYVQJEWINFIK-GFCCVEGCSA-N 0 3 388.515 -0.257 20 0 GBADHN CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000419486470 530349237 /nfs/dbraw/zinc/34/92/37/530349237.db2.gz ACMYVQJEWINFIK-LBPRGKRZSA-N 0 3 388.515 -0.257 20 0 GBADHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419486540 530349062 /nfs/dbraw/zinc/34/90/62/530349062.db2.gz AJXUCKAQEIYTQD-NEPJUHHUSA-N 0 3 388.515 -0.224 20 0 GBADHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419486541 530349342 /nfs/dbraw/zinc/34/93/42/530349342.db2.gz AJXUCKAQEIYTQD-NWDGAFQWSA-N 0 3 388.515 -0.224 20 0 GBADHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419486544 530349189 /nfs/dbraw/zinc/34/91/89/530349189.db2.gz AJXUCKAQEIYTQD-RYUDHWBXSA-N 0 3 388.515 -0.224 20 0 GBADHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419486545 530349307 /nfs/dbraw/zinc/34/93/07/530349307.db2.gz AJXUCKAQEIYTQD-VXGBXAGGSA-N 0 3 388.515 -0.224 20 0 GBADHN C[NH2+]CCCN(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419487539 530349130 /nfs/dbraw/zinc/34/91/30/530349130.db2.gz GGXACENQFFFVBM-UHFFFAOYSA-N 0 3 396.922 -0.136 20 0 GBADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419487617 530349332 /nfs/dbraw/zinc/34/93/32/530349332.db2.gz GPTLXMVUFATXTB-SECBINFHSA-N 0 3 394.906 -0.254 20 0 GBADHN [NH3+][C@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419487618 530349310 /nfs/dbraw/zinc/34/93/10/530349310.db2.gz GPTLXMVUFATXTB-VIFPVBQESA-N 0 3 394.906 -0.254 20 0 GBADHN CCC([NH3+])(CC)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419487961 530349286 /nfs/dbraw/zinc/34/92/86/530349286.db2.gz BHMIUEQLMINNDK-UHFFFAOYSA-N 0 3 376.504 -0.224 20 0 GBADHN CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419487971 530349358 /nfs/dbraw/zinc/34/93/58/530349358.db2.gz BIVVOSVDKFYPQA-UHFFFAOYSA-N 0 3 376.504 -0.414 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCCNCC2)c(C)s1 ZINC000419488474 530349233 /nfs/dbraw/zinc/34/92/33/530349233.db2.gz BZYZLLIRZMYQDB-UHFFFAOYSA-N 0 3 388.515 -0.419 20 0 GBADHN O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419488570 1072175121 /nfs/dbraw/zinc/17/51/21/1072175121.db2.gz DAPJNNHWZSBCLL-DLBZAZTESA-N 0 3 376.457 -0.719 20 0 GBADHN O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419488571 1072174928 /nfs/dbraw/zinc/17/49/28/1072174928.db2.gz DAPJNNHWZSBCLL-IAGOWNOFSA-N 0 3 376.457 -0.719 20 0 GBADHN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419488572 1072174676 /nfs/dbraw/zinc/17/46/76/1072174676.db2.gz DAPJNNHWZSBCLL-IRXDYDNUSA-N 0 3 376.457 -0.719 20 0 GBADHN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419488573 1072175156 /nfs/dbraw/zinc/17/51/56/1072175156.db2.gz DAPJNNHWZSBCLL-SJORKVTESA-N 0 3 376.457 -0.719 20 0 GBADHN CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419488836 530349383 /nfs/dbraw/zinc/34/93/83/530349383.db2.gz CHIVKDDHOIMBIL-LLVKDONJSA-N 0 3 376.504 -0.224 20 0 GBADHN CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419488837 530349137 /nfs/dbraw/zinc/34/91/37/530349137.db2.gz CHIVKDDHOIMBIL-NSHDSACASA-N 0 3 376.504 -0.224 20 0 GBADHN [NH3+][C@H](CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419488992 530349049 /nfs/dbraw/zinc/34/90/49/530349049.db2.gz HZUKIWNSHGVBRV-SECBINFHSA-N 0 3 394.906 -0.351 20 0 GBADHN [NH3+][C@@H](CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419488993 530349283 /nfs/dbraw/zinc/34/92/83/530349283.db2.gz HZUKIWNSHGVBRV-VIFPVBQESA-N 0 3 394.906 -0.351 20 0 GBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419489261 530349230 /nfs/dbraw/zinc/34/92/30/530349230.db2.gz DCTOLGIDNNJJFZ-GFCCVEGCSA-N 0 3 390.531 -0.026 20 0 GBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419489262 530349267 /nfs/dbraw/zinc/34/92/67/530349267.db2.gz DCTOLGIDNNJJFZ-LBPRGKRZSA-N 0 3 390.531 -0.026 20 0 GBADHN C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419489594 530349208 /nfs/dbraw/zinc/34/92/08/530349208.db2.gz IQRCRUGLBOPSNK-MRVPVSSYSA-N 0 3 382.895 -0.398 20 0 GBADHN C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419489595 530349239 /nfs/dbraw/zinc/34/92/39/530349239.db2.gz IQRCRUGLBOPSNK-QMMMGPOBSA-N 0 3 382.895 -0.398 20 0 GBADHN [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419490058 530349170 /nfs/dbraw/zinc/34/91/70/530349170.db2.gz IZJWIRPHDSFURS-SECBINFHSA-N 0 3 394.906 -0.254 20 0 GBADHN [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419490059 530349257 /nfs/dbraw/zinc/34/92/57/530349257.db2.gz IZJWIRPHDSFURS-VIFPVBQESA-N 0 3 394.906 -0.254 20 0 GBADHN C[C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000419490200 530349339 /nfs/dbraw/zinc/34/93/39/530349339.db2.gz FAYDIEHWPONLEU-NEPJUHHUSA-N 0 3 388.515 -0.414 20 0 GBADHN C[C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000419490201 530349251 /nfs/dbraw/zinc/34/92/51/530349251.db2.gz FAYDIEHWPONLEU-NWDGAFQWSA-N 0 3 388.515 -0.414 20 0 GBADHN C[C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000419490202 530349226 /nfs/dbraw/zinc/34/92/26/530349226.db2.gz FAYDIEHWPONLEU-RYUDHWBXSA-N 0 3 388.515 -0.414 20 0 GBADHN C[C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000419490203 530349165 /nfs/dbraw/zinc/34/91/65/530349165.db2.gz FAYDIEHWPONLEU-VXGBXAGGSA-N 0 3 388.515 -0.414 20 0 GBADHN C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419490464 530349354 /nfs/dbraw/zinc/34/93/54/530349354.db2.gz JOUPRWWAICNEAR-MRVPVSSYSA-N 0 3 382.895 -0.493 20 0 GBADHN C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419490465 530349270 /nfs/dbraw/zinc/34/92/70/530349270.db2.gz JOUPRWWAICNEAR-QMMMGPOBSA-N 0 3 382.895 -0.493 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H]2CN)c(C)s1 ZINC000419490681 530349273 /nfs/dbraw/zinc/34/92/73/530349273.db2.gz FJPZBMIIXAQMCD-GFCCVEGCSA-N 0 3 388.515 -0.291 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H]2CN)c(C)s1 ZINC000419490682 530349192 /nfs/dbraw/zinc/34/91/92/530349192.db2.gz FJPZBMIIXAQMCD-LBPRGKRZSA-N 0 3 388.515 -0.291 20 0 GBADHN CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419491915 530349161 /nfs/dbraw/zinc/34/91/61/530349161.db2.gz LTNFALYLHUAFSF-SECBINFHSA-N 0 3 396.922 -0.090 20 0 GBADHN [NH3+]C1(CNC(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000419491972 530349243 /nfs/dbraw/zinc/34/92/43/530349243.db2.gz LWVNCMOIRYHEDC-UHFFFAOYSA-N 0 3 394.906 -0.206 20 0 GBADHN C[C@@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)[C@H]1C[NH3+] ZINC000419492185 530349352 /nfs/dbraw/zinc/34/93/52/530349352.db2.gz GYAAAKUZYOLNQM-NEPJUHHUSA-N 0 3 388.515 -0.272 20 0 GBADHN C[C@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)[C@@H]1C[NH3+] ZINC000419492187 530349316 /nfs/dbraw/zinc/34/93/16/530349316.db2.gz GYAAAKUZYOLNQM-NWDGAFQWSA-N 0 3 388.515 -0.272 20 0 GBADHN C[C@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)[C@H]1C[NH3+] ZINC000419492190 530349081 /nfs/dbraw/zinc/34/90/81/530349081.db2.gz GYAAAKUZYOLNQM-RYUDHWBXSA-N 0 3 388.515 -0.272 20 0 GBADHN C[C@@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)[C@@H]1C[NH3+] ZINC000419492192 530349043 /nfs/dbraw/zinc/34/90/43/530349043.db2.gz GYAAAKUZYOLNQM-VXGBXAGGSA-N 0 3 388.515 -0.272 20 0 GBADHN N[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000419492803 1072171218 /nfs/dbraw/zinc/17/12/18/1072171218.db2.gz HONOAOPQNXKINI-CYBMUJFWSA-N 0 3 396.494 -0.041 20 0 GBADHN N[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000419492804 1072171296 /nfs/dbraw/zinc/17/12/96/1072171296.db2.gz HONOAOPQNXKINI-ZDUSSCGKSA-N 0 3 396.494 -0.041 20 0 GBADHN CCC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419493005 530349290 /nfs/dbraw/zinc/34/92/90/530349290.db2.gz MPVZXKUYCAKZKK-UHFFFAOYSA-N 0 3 396.922 -0.088 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000419493053 530349096 /nfs/dbraw/zinc/34/90/96/530349096.db2.gz MRCZOOYUCSMASK-BDAKNGLRSA-N 0 3 394.906 -0.398 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000419493055 530349288 /nfs/dbraw/zinc/34/92/88/530349288.db2.gz MRCZOOYUCSMASK-DTWKUNHWSA-N 0 3 394.906 -0.398 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000419493057 530349295 /nfs/dbraw/zinc/34/92/95/530349295.db2.gz MRCZOOYUCSMASK-IUCAKERBSA-N 0 3 394.906 -0.398 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000419493059 530349068 /nfs/dbraw/zinc/34/90/68/530349068.db2.gz MRCZOOYUCSMASK-RKDXNWHRSA-N 0 3 394.906 -0.398 20 0 GBADHN CN(CCNC(=O)C(=O)N1CCCC[C@@H]1CN)S(=O)(=O)c1cccs1 ZINC000419493326 530349360 /nfs/dbraw/zinc/34/93/60/530349360.db2.gz HXJHYXGYXHFVKX-GFCCVEGCSA-N 0 3 388.515 -0.175 20 0 GBADHN CN(CCNC(=O)C(=O)N1CCCC[C@H]1CN)S(=O)(=O)c1cccs1 ZINC000419493327 530349186 /nfs/dbraw/zinc/34/91/86/530349186.db2.gz HXJHYXGYXHFVKX-LBPRGKRZSA-N 0 3 388.515 -0.175 20 0 GBADHN C[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419493549 530349276 /nfs/dbraw/zinc/34/92/76/530349276.db2.gz MXQWCWBOXVBPGI-UHFFFAOYSA-N 0 3 382.895 -0.478 20 0 GBADHN C[C@]1(CNC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCC[NH2+]C1 ZINC000419494645 530349624 /nfs/dbraw/zinc/34/96/24/530349624.db2.gz JRAMDIIGPRXOGS-HNNXBMFYSA-N 0 3 388.515 -0.352 20 0 GBADHN C[C@@]1(CNC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCC[NH2+]C1 ZINC000419494647 530349471 /nfs/dbraw/zinc/34/94/71/530349471.db2.gz JRAMDIIGPRXOGS-OAHLLOKOSA-N 0 3 388.515 -0.352 20 0 GBADHN CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419495591 530349670 /nfs/dbraw/zinc/34/96/70/530349670.db2.gz PQLLMBZQMONWKD-SECBINFHSA-N 0 3 396.922 -0.105 20 0 GBADHN CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419495593 530349789 /nfs/dbraw/zinc/34/97/89/530349789.db2.gz PQLLMBZQMONWKD-VIFPVBQESA-N 0 3 396.922 -0.105 20 0 GBADHN [NH3+]C[C@@H](NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1)C1CCCC1 ZINC000419496144 530349782 /nfs/dbraw/zinc/34/97/82/530349782.db2.gz LMKWPERQGJONBU-GFCCVEGCSA-N 0 3 388.515 -0.224 20 0 GBADHN [NH3+]C[C@H](NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1)C1CCCC1 ZINC000419496146 530349505 /nfs/dbraw/zinc/34/95/05/530349505.db2.gz LMKWPERQGJONBU-LBPRGKRZSA-N 0 3 388.515 -0.224 20 0 GBADHN [NH3+][C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419496198 530349686 /nfs/dbraw/zinc/34/96/86/530349686.db2.gz QKDZFYKGYLJPBW-MRVPVSSYSA-N 0 3 380.879 -0.644 20 0 GBADHN [NH3+][C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419496199 530349694 /nfs/dbraw/zinc/34/96/94/530349694.db2.gz QKDZFYKGYLJPBW-QMMMGPOBSA-N 0 3 380.879 -0.644 20 0 GBADHN [NH3+]C[C@@H](NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419496647 530349611 /nfs/dbraw/zinc/34/96/11/530349611.db2.gz QVHMSQRWFYTDSK-SECBINFHSA-N 0 3 394.906 -0.351 20 0 GBADHN [NH3+]C[C@H](NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419496648 530349675 /nfs/dbraw/zinc/34/96/75/530349675.db2.gz QVHMSQRWFYTDSK-VIFPVBQESA-N 0 3 394.906 -0.351 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](CN)C2CC2)c(C)s1 ZINC000419497514 530349621 /nfs/dbraw/zinc/34/96/21/530349621.db2.gz NFWJOPJUXQJDSM-GFCCVEGCSA-N 0 3 388.515 -0.387 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](CN)C2CC2)c(C)s1 ZINC000419497515 530349616 /nfs/dbraw/zinc/34/96/16/530349616.db2.gz NFWJOPJUXQJDSM-LBPRGKRZSA-N 0 3 388.515 -0.387 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419497532 530349468 /nfs/dbraw/zinc/34/94/68/530349468.db2.gz RULWRCJJYIRDDS-SECBINFHSA-N 0 3 394.906 -0.336 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419497533 530349717 /nfs/dbraw/zinc/34/97/17/530349717.db2.gz RULWRCJJYIRDDS-VIFPVBQESA-N 0 3 394.906 -0.336 20 0 GBADHN CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419497880 530348714 /nfs/dbraw/zinc/34/87/14/530348714.db2.gz NOSFCFBSHDJDHL-LLVKDONJSA-N 0 3 376.504 -0.368 20 0 GBADHN CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419497881 530348735 /nfs/dbraw/zinc/34/87/35/530348735.db2.gz NOSFCFBSHDJDHL-NSHDSACASA-N 0 3 376.504 -0.368 20 0 GBADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419497993 530348883 /nfs/dbraw/zinc/34/88/83/530348883.db2.gz SYYURYUJQXDTLN-SECBINFHSA-N 0 3 396.922 -0.232 20 0 GBADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419497994 530348905 /nfs/dbraw/zinc/34/89/05/530348905.db2.gz SYYURYUJQXDTLN-VIFPVBQESA-N 0 3 396.922 -0.232 20 0 GBADHN C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419498027 530348822 /nfs/dbraw/zinc/34/88/22/530348822.db2.gz TZHUXTAGDCIDSD-SECBINFHSA-N 0 3 394.906 -0.384 20 0 GBADHN C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419498028 530348839 /nfs/dbraw/zinc/34/88/39/530348839.db2.gz TZHUXTAGDCIDSD-VIFPVBQESA-N 0 3 394.906 -0.384 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419499508 530348875 /nfs/dbraw/zinc/34/88/75/530348875.db2.gz OZDWOEJCIFPAKY-NEPJUHHUSA-N 0 3 386.499 -0.505 20 0 GBADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c3cccs3)C[C@H]12 ZINC000419499982 530348872 /nfs/dbraw/zinc/34/88/72/530348872.db2.gz POWPMKRPZGPKAM-GRYCIOLGSA-N 0 3 386.499 -0.662 20 0 GBADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c3cccs3)C[C@@H]12 ZINC000419499983 530348941 /nfs/dbraw/zinc/34/89/41/530348941.db2.gz POWPMKRPZGPKAM-IJLUTSLNSA-N 0 3 386.499 -0.662 20 0 GBADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c3cccs3)C[C@@H]12 ZINC000419499984 530348746 /nfs/dbraw/zinc/34/87/46/530348746.db2.gz POWPMKRPZGPKAM-QJPTWQEYSA-N 0 3 386.499 -0.662 20 0 GBADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCC[N-]S(=O)(=O)c3cccs3)C[C@H]12 ZINC000419499985 530348836 /nfs/dbraw/zinc/34/88/36/530348836.db2.gz POWPMKRPZGPKAM-SDDRHHMPSA-N 0 3 386.499 -0.662 20 0 GBADHN CC(C)([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419500129 530348938 /nfs/dbraw/zinc/34/89/38/530348938.db2.gz WVJPZNFGGFDPDP-UHFFFAOYSA-N 0 3 382.895 -0.351 20 0 GBADHN [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000419501683 530348717 /nfs/dbraw/zinc/34/87/17/530348717.db2.gz RNHKRFGWFUMMQW-GFCCVEGCSA-N 0 3 388.515 -0.270 20 0 GBADHN [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000419501684 530348660 /nfs/dbraw/zinc/34/86/60/530348660.db2.gz RNHKRFGWFUMMQW-LBPRGKRZSA-N 0 3 388.515 -0.270 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502160 1072171928 /nfs/dbraw/zinc/17/19/28/1072171928.db2.gz RVJFIRSTQWGJGO-BXUZGUMPSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502161 1072172067 /nfs/dbraw/zinc/17/20/67/1072172067.db2.gz RVJFIRSTQWGJGO-FZMZJTMJSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502162 1072171827 /nfs/dbraw/zinc/17/18/27/1072171827.db2.gz RVJFIRSTQWGJGO-RISCZKNCSA-N 0 3 380.420 -0.099 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502163 1072172126 /nfs/dbraw/zinc/17/21/26/1072172126.db2.gz RVJFIRSTQWGJGO-SMDDNHRTSA-N 0 3 380.420 -0.099 20 0 GBADHN [NH3+]C1(CNC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000419503477 530348668 /nfs/dbraw/zinc/34/86/68/530348668.db2.gz SSSSFGCKQPHYSM-UHFFFAOYSA-N 0 3 388.515 -0.080 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N(C)[C@H](C)CN)c(C)s1 ZINC000419503687 530348710 /nfs/dbraw/zinc/34/87/10/530348710.db2.gz UDRVUHOFNOVVHA-SECBINFHSA-N 0 3 376.504 -0.435 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N(C)[C@@H](C)CN)c(C)s1 ZINC000419503928 530348804 /nfs/dbraw/zinc/34/88/04/530348804.db2.gz UDRVUHOFNOVVHA-VIFPVBQESA-N 0 3 376.504 -0.435 20 0 GBADHN CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419504446 530348887 /nfs/dbraw/zinc/34/88/87/530348887.db2.gz USNXQPCQEUCPOX-GFCCVEGCSA-N 0 3 390.531 -0.026 20 0 GBADHN CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419504447 530348869 /nfs/dbraw/zinc/34/88/69/530348869.db2.gz USNXQPCQEUCPOX-LBPRGKRZSA-N 0 3 390.531 -0.026 20 0 GBADHN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCCNCC1 ZINC000419505243 1072172990 /nfs/dbraw/zinc/17/29/90/1072172990.db2.gz LJIKCBBQUVAIME-UHFFFAOYSA-N 0 3 377.464 -0.114 20 0 GBADHN N[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000419505593 1072173118 /nfs/dbraw/zinc/17/31/18/1072173118.db2.gz LTPKPAKDNDHQTL-KRWDZBQOSA-N 0 3 397.483 -0.469 20 0 GBADHN N[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000419505594 1072173236 /nfs/dbraw/zinc/17/32/36/1072173236.db2.gz LTPKPAKDNDHQTL-QGZVFWFLSA-N 0 3 397.483 -0.469 20 0 GBADHN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419508054 1072173963 /nfs/dbraw/zinc/17/39/63/1072173963.db2.gz QJFSLGUDJSCUIL-KRWDZBQOSA-N 0 3 393.463 -0.832 20 0 GBADHN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CNCCO1 ZINC000419508055 1072173830 /nfs/dbraw/zinc/17/38/30/1072173830.db2.gz QJFSLGUDJSCUIL-QGZVFWFLSA-N 0 3 393.463 -0.832 20 0 GBADHN C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419508353 530348866 /nfs/dbraw/zinc/34/88/66/530348866.db2.gz ZJOSLOIDKXXRFD-NEPJUHHUSA-N 0 3 388.515 -0.129 20 0 GBADHN C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419508354 530348858 /nfs/dbraw/zinc/34/88/58/530348858.db2.gz ZJOSLOIDKXXRFD-NWDGAFQWSA-N 0 3 388.515 -0.129 20 0 GBADHN C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419508355 530348849 /nfs/dbraw/zinc/34/88/49/530348849.db2.gz ZJOSLOIDKXXRFD-RYUDHWBXSA-N 0 3 388.515 -0.129 20 0 GBADHN C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419508357 530348957 /nfs/dbraw/zinc/34/89/57/530348957.db2.gz ZJOSLOIDKXXRFD-VXGBXAGGSA-N 0 3 388.515 -0.129 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)N1CCN(c2ccccc2)CC1 ZINC000419512939 1072175027 /nfs/dbraw/zinc/17/50/27/1072175027.db2.gz YIKPVYHXLLDVKN-AEFFLSMTSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)N1CCN(c2ccccc2)CC1 ZINC000419512940 1072175149 /nfs/dbraw/zinc/17/51/49/1072175149.db2.gz YIKPVYHXLLDVKN-FUHWJXTLSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)N1CCN(c2ccccc2)CC1 ZINC000419512941 1072174840 /nfs/dbraw/zinc/17/48/40/1072174840.db2.gz YIKPVYHXLLDVKN-SJLPKXTDSA-N 0 3 389.500 -0.582 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)N1CCN(c2ccccc2)CC1 ZINC000419512942 1072175853 /nfs/dbraw/zinc/17/58/53/1072175853.db2.gz YIKPVYHXLLDVKN-WMZOPIPTSA-N 0 3 389.500 -0.582 20 0 GBADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419516578 1072176031 /nfs/dbraw/zinc/17/60/31/1072176031.db2.gz HJLNJXNZMWOHDU-GXTWGEPZSA-N 0 3 380.445 -0.048 20 0 GBADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419516579 1072176137 /nfs/dbraw/zinc/17/61/37/1072176137.db2.gz HJLNJXNZMWOHDU-JSGCOSHPSA-N 0 3 380.445 -0.048 20 0 GBADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419516582 1072175789 /nfs/dbraw/zinc/17/57/89/1072175789.db2.gz HJLNJXNZMWOHDU-OCCSQVGLSA-N 0 3 380.445 -0.048 20 0 GBADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419516584 1072176052 /nfs/dbraw/zinc/17/60/52/1072176052.db2.gz HJLNJXNZMWOHDU-TZMCWYRMSA-N 0 3 380.445 -0.048 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000419526149 1072177249 /nfs/dbraw/zinc/17/72/49/1072177249.db2.gz SPFQODRYDCLJRU-OWCLPIDISA-N 0 3 379.505 -0.602 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000419526150 1072176857 /nfs/dbraw/zinc/17/68/57/1072176857.db2.gz SPFQODRYDCLJRU-XHSDSOJGSA-N 0 3 379.505 -0.602 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419527730 1072177104 /nfs/dbraw/zinc/17/71/04/1072177104.db2.gz BQWNDUMHIZIJST-DLBZAZTESA-N 0 3 375.473 -0.219 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419527731 1072177121 /nfs/dbraw/zinc/17/71/21/1072177121.db2.gz BQWNDUMHIZIJST-IAGOWNOFSA-N 0 3 375.473 -0.219 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419527732 1072176806 /nfs/dbraw/zinc/17/68/06/1072176806.db2.gz BQWNDUMHIZIJST-IRXDYDNUSA-N 0 3 375.473 -0.219 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419527734 1072178069 /nfs/dbraw/zinc/17/80/69/1072178069.db2.gz BQWNDUMHIZIJST-SJORKVTESA-N 0 3 375.473 -0.219 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537823 1072178080 /nfs/dbraw/zinc/17/80/80/1072178080.db2.gz OCPYGIMMVDHEBX-BBRMVZONSA-N 0 3 388.468 -0.083 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537824 1072178021 /nfs/dbraw/zinc/17/80/21/1072178021.db2.gz OCPYGIMMVDHEBX-CJNGLKHVSA-N 0 3 388.468 -0.083 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537825 1072177957 /nfs/dbraw/zinc/17/79/57/1072177957.db2.gz OCPYGIMMVDHEBX-CZUORRHYSA-N 0 3 388.468 -0.083 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537826 1072177925 /nfs/dbraw/zinc/17/79/25/1072177925.db2.gz OCPYGIMMVDHEBX-XJKSGUPXSA-N 0 3 388.468 -0.083 20 0 GBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000419557942 1072178108 /nfs/dbraw/zinc/17/81/08/1072178108.db2.gz FEFUQXUHDBQOOU-DZKIICNBSA-N 0 3 394.859 -0.167 20 0 GBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000419557943 1072178127 /nfs/dbraw/zinc/17/81/27/1072178127.db2.gz FEFUQXUHDBQOOU-IJEWVQPXSA-N 0 3 394.859 -0.167 20 0 GBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000419557944 1072177766 /nfs/dbraw/zinc/17/77/66/1072177766.db2.gz FEFUQXUHDBQOOU-OFQRWUPVSA-N 0 3 394.859 -0.167 20 0 GBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000419557945 1072177986 /nfs/dbraw/zinc/17/79/86/1072177986.db2.gz FEFUQXUHDBQOOU-YCPHGPKFSA-N 0 3 394.859 -0.167 20 0 GBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCNC[C@@H]2CCC)CC1 ZINC000419570085 1072183205 /nfs/dbraw/zinc/18/32/05/1072183205.db2.gz UPMSANHGTBCLAJ-INIZCTEOSA-N 0 3 381.521 -0.306 20 0 GBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCNC[C@H]2CCC)CC1 ZINC000419570086 1072182835 /nfs/dbraw/zinc/18/28/35/1072182835.db2.gz UPMSANHGTBCLAJ-MRXNPFEDSA-N 0 3 381.521 -0.306 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573028 1072182910 /nfs/dbraw/zinc/18/29/10/1072182910.db2.gz XTJOVIHVKVEGIM-CMPLNLGQSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573030 1072182801 /nfs/dbraw/zinc/18/28/01/1072182801.db2.gz XTJOVIHVKVEGIM-JQWIXIFHSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573032 1072182886 /nfs/dbraw/zinc/18/28/86/1072182886.db2.gz XTJOVIHVKVEGIM-PWSUYJOCSA-N 0 3 398.822 -0.195 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573034 1072182995 /nfs/dbraw/zinc/18/29/95/1072182995.db2.gz XTJOVIHVKVEGIM-ZYHUDNBSSA-N 0 3 398.822 -0.195 20 0 GBADHN NCCN(CCO)C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419573177 530349754 /nfs/dbraw/zinc/34/97/54/530349754.db2.gz RMFQIBLXPCUAQB-UHFFFAOYSA-N 0 3 377.850 -0.991 20 0 GBADHN O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@H]1CNCCO1 ZINC000419573197 1072180249 /nfs/dbraw/zinc/18/02/49/1072180249.db2.gz RPBKUJPOLRHMNZ-GFCCVEGCSA-N 0 3 389.378 0.123 20 0 GBADHN O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CNCCO1 ZINC000419573198 1072180370 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395.460 -0.804 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419707799 1072191609 /nfs/dbraw/zinc/19/16/09/1072191609.db2.gz GEPQOHHXMVQROR-VXGBXAGGSA-N 0 3 395.460 -0.804 20 0 GBADHN O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)NC[C@@H]1CNCCO1 ZINC000419710110 1072191624 /nfs/dbraw/zinc/19/16/24/1072191624.db2.gz LAEFXVSVABEUTH-AWEZNQCLSA-N 0 3 380.876 -0.081 20 0 GBADHN O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)NC[C@H]1CNCCO1 ZINC000419710111 1072191592 /nfs/dbraw/zinc/19/15/92/1072191592.db2.gz LAEFXVSVABEUTH-CQSZACIVSA-N 0 3 380.876 -0.081 20 0 GBADHN N[C@@H](CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000419716207 1072195719 /nfs/dbraw/zinc/19/57/19/1072195719.db2.gz XCCSYVUKCQBJJC-AWEZNQCLSA-N 0 3 387.440 -0.217 20 0 GBADHN N[C@H](CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000419716208 1072195738 /nfs/dbraw/zinc/19/57/38/1072195738.db2.gz XCCSYVUKCQBJJC-CQSZACIVSA-N 0 3 387.440 -0.217 20 0 GBADHN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419737891 1072198719 /nfs/dbraw/zinc/19/87/19/1072198719.db2.gz UDZRSVGNXZMQDX-DLBZAZTESA-N 0 3 391.516 -0.458 20 0 GBADHN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419737892 1072198448 /nfs/dbraw/zinc/19/84/48/1072198448.db2.gz UDZRSVGNXZMQDX-IAGOWNOFSA-N 0 3 391.516 -0.458 20 0 GBADHN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419737893 1072198640 /nfs/dbraw/zinc/19/86/40/1072198640.db2.gz UDZRSVGNXZMQDX-IRXDYDNUSA-N 0 3 391.516 -0.458 20 0 GBADHN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419737894 1072198379 /nfs/dbraw/zinc/19/83/79/1072198379.db2.gz UDZRSVGNXZMQDX-SJORKVTESA-N 0 3 391.516 -0.458 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739471 1072195863 /nfs/dbraw/zinc/19/58/63/1072195863.db2.gz FYIYWVXVMZYLGC-NEPJUHHUSA-N 0 3 376.413 -0.060 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739472 1072195869 /nfs/dbraw/zinc/19/58/69/1072195869.db2.gz FYIYWVXVMZYLGC-NWDGAFQWSA-N 0 3 376.413 -0.060 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739473 1072196857 /nfs/dbraw/zinc/19/68/57/1072196857.db2.gz FYIYWVXVMZYLGC-RYUDHWBXSA-N 0 3 376.413 -0.060 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739474 1072196646 /nfs/dbraw/zinc/19/66/46/1072196646.db2.gz FYIYWVXVMZYLGC-VXGBXAGGSA-N 0 3 376.413 -0.060 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@H]1Oc1ccccc1 ZINC000419743888 1072196412 /nfs/dbraw/zinc/19/64/12/1072196412.db2.gz HPPNEOWPGCDQEG-MWDXBVQZSA-N 0 3 377.441 -0.168 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@@H]1Oc1ccccc1 ZINC000419743894 1072196352 /nfs/dbraw/zinc/19/63/52/1072196352.db2.gz HPPNEOWPGCDQEG-NXOAAHMSSA-N 0 3 377.441 -0.168 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@@H]1Oc1ccccc1 ZINC000419743898 1072196421 /nfs/dbraw/zinc/19/64/21/1072196421.db2.gz HPPNEOWPGCDQEG-TWMKSMIVSA-N 0 3 377.441 -0.168 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@H]1Oc1ccccc1 ZINC000419743900 1072196335 /nfs/dbraw/zinc/19/63/35/1072196335.db2.gz HPPNEOWPGCDQEG-YYIAUSFCSA-N 0 3 377.441 -0.168 20 0 GBADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N(CCN)CCO)cc1 ZINC000419747374 1072197475 /nfs/dbraw/zinc/19/74/75/1072197475.db2.gz DKEBNNNSGKWQIK-UHFFFAOYSA-N 0 3 399.513 -0.346 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)C2=O)n(C)n1 ZINC000419784812 1072203108 /nfs/dbraw/zinc/20/31/08/1072203108.db2.gz WPTVAIMZNFETDB-AGIUHOORSA-N 0 3 392.460 -0.821 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)C2=O)n(C)n1 ZINC000419784813 1072203150 /nfs/dbraw/zinc/20/31/50/1072203150.db2.gz WPTVAIMZNFETDB-AVGNSLFASA-N 0 3 392.460 -0.821 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)C2=O)n(C)n1 ZINC000419784814 1072202738 /nfs/dbraw/zinc/20/27/38/1072202738.db2.gz WPTVAIMZNFETDB-FRRDWIJNSA-N 0 3 392.460 -0.821 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)C2=O)n(C)n1 ZINC000419784815 1072202794 /nfs/dbraw/zinc/20/27/94/1072202794.db2.gz WPTVAIMZNFETDB-RWMBFGLXSA-N 0 3 392.460 -0.821 20 0 GBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1(N(C)C)CC1)CC2 ZINC000419792770 1072201731 /nfs/dbraw/zinc/20/17/31/1072201731.db2.gz AGJLEOSNSYTAEM-UHFFFAOYSA-N 0 3 380.470 -0.306 20 0 GBADHN NCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419818978 530349543 /nfs/dbraw/zinc/34/95/43/530349543.db2.gz PELMGRSPMXEBBO-UHFFFAOYSA-N 0 3 394.906 -0.301 20 0 GBADHN NCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419820776 530350075 /nfs/dbraw/zinc/35/00/75/530350075.db2.gz SEMKKYSEKJPUAX-UHFFFAOYSA-N 0 3 380.879 -0.691 20 0 GBADHN NCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000419822675 530350063 /nfs/dbraw/zinc/35/00/63/530350063.db2.gz WJFIRVDQGAGHLW-UHFFFAOYSA-N 0 3 392.840 -0.613 20 0 GBADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000419823260 1072204974 /nfs/dbraw/zinc/20/49/74/1072204974.db2.gz MBTSCVLIKVGCFG-HNNXBMFYSA-N 0 3 390.440 -0.033 20 0 GBADHN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000419823262 1072204914 /nfs/dbraw/zinc/20/49/14/1072204914.db2.gz MBTSCVLIKVGCFG-OAHLLOKOSA-N 0 3 390.440 -0.033 20 0 GBADHN NCCNC(=O)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000419832046 530350279 /nfs/dbraw/zinc/35/02/79/530350279.db2.gz IUGSBQOLIPHIRK-UHFFFAOYSA-N 0 3 383.246 -0.192 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000419838341 1072211233 /nfs/dbraw/zinc/21/12/33/1072211233.db2.gz XRYQFDCEGMMSFQ-BFHYXJOUSA-N 0 3 376.461 -0.209 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000419838342 1072211329 /nfs/dbraw/zinc/21/13/29/1072211329.db2.gz XRYQFDCEGMMSFQ-IHRRRGAJSA-N 0 3 376.461 -0.209 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000419838343 1072211385 /nfs/dbraw/zinc/21/13/85/1072211385.db2.gz XRYQFDCEGMMSFQ-MELADBBJSA-N 0 3 376.461 -0.209 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000419838344 1072211202 /nfs/dbraw/zinc/21/12/02/1072211202.db2.gz XRYQFDCEGMMSFQ-MJBXVCDLSA-N 0 3 376.461 -0.209 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1C(=O)c1cnn(C)c1 ZINC000419903453 1072226996 /nfs/dbraw/zinc/22/69/96/1072226996.db2.gz APSLMLKLQCYAEZ-WMLDXEAASA-N 0 3 398.467 -0.091 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1C(=O)c1cnn(C)c1 ZINC000419903455 1072226499 /nfs/dbraw/zinc/22/64/99/1072226499.db2.gz APSLMLKLQCYAEZ-YOEHRIQHSA-N 0 3 398.467 -0.091 20 0 GBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419903983 1072226805 /nfs/dbraw/zinc/22/68/05/1072226805.db2.gz BALCPDQHZDCXBW-PBHICJAKSA-N 0 3 387.484 -0.386 20 0 GBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419903984 1072226768 /nfs/dbraw/zinc/22/67/68/1072226768.db2.gz BALCPDQHZDCXBW-RHSMWYFYSA-N 0 3 387.484 -0.386 20 0 GBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419903985 1072226833 /nfs/dbraw/zinc/22/68/33/1072226833.db2.gz BALCPDQHZDCXBW-WMLDXEAASA-N 0 3 387.484 -0.386 20 0 GBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419903986 1072226661 /nfs/dbraw/zinc/22/66/61/1072226661.db2.gz BALCPDQHZDCXBW-YOEHRIQHSA-N 0 3 387.484 -0.386 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419906608 1072229375 /nfs/dbraw/zinc/22/93/75/1072229375.db2.gz AIXPHXMFURPAMH-KRWDZBQOSA-N 0 3 389.500 -0.185 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419906610 1072228874 /nfs/dbraw/zinc/22/88/74/1072228874.db2.gz AIXPHXMFURPAMH-QGZVFWFLSA-N 0 3 389.500 -0.185 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419910558 1072228949 /nfs/dbraw/zinc/22/89/49/1072228949.db2.gz IECUPDHFZCRCEP-INIZCTEOSA-N 0 3 375.473 -0.529 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419910559 1072229068 /nfs/dbraw/zinc/22/90/68/1072229068.db2.gz IECUPDHFZCRCEP-MRXNPFEDSA-N 0 3 375.473 -0.529 20 0 GBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419912171 1072229350 /nfs/dbraw/zinc/22/93/50/1072229350.db2.gz KXTXBOASRLCELV-CABCVRRESA-N 0 3 382.486 -0.269 20 0 GBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419912172 1072228865 /nfs/dbraw/zinc/22/88/65/1072228865.db2.gz KXTXBOASRLCELV-GJZGRUSLSA-N 0 3 382.486 -0.269 20 0 GBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419912174 1072229173 /nfs/dbraw/zinc/22/91/73/1072229173.db2.gz KXTXBOASRLCELV-HUUCEWRRSA-N 0 3 382.486 -0.269 20 0 GBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419912175 1072229932 /nfs/dbraw/zinc/22/99/32/1072229932.db2.gz KXTXBOASRLCELV-LSDHHAIUSA-N 0 3 382.486 -0.269 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915204 1072226979 /nfs/dbraw/zinc/22/69/79/1072226979.db2.gz CSGVFHFWWGLXCB-DLBZAZTESA-N 0 3 388.468 -0.100 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915205 1072226946 /nfs/dbraw/zinc/22/69/46/1072226946.db2.gz CSGVFHFWWGLXCB-IAGOWNOFSA-N 0 3 388.468 -0.100 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915206 1072227398 /nfs/dbraw/zinc/22/73/98/1072227398.db2.gz CSGVFHFWWGLXCB-IRXDYDNUSA-N 0 3 388.468 -0.100 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915207 1072227643 /nfs/dbraw/zinc/22/76/43/1072227643.db2.gz CSGVFHFWWGLXCB-SJORKVTESA-N 0 3 388.468 -0.100 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000419916081 1072227470 /nfs/dbraw/zinc/22/74/70/1072227470.db2.gz DKODAZCSDYJWSH-INIZCTEOSA-N 0 3 394.497 -0.125 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000419916090 1072227684 /nfs/dbraw/zinc/22/76/84/1072227684.db2.gz DKODAZCSDYJWSH-MRXNPFEDSA-N 0 3 394.497 -0.125 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000419918074 1072227280 /nfs/dbraw/zinc/22/72/80/1072227280.db2.gz UACUTQVJEQAYLP-KRWDZBQOSA-N 0 3 387.484 -0.431 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000419918075 1072227570 /nfs/dbraw/zinc/22/75/70/1072227570.db2.gz UACUTQVJEQAYLP-QGZVFWFLSA-N 0 3 387.484 -0.431 20 0 GBADHN COc1cc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)ncn1 ZINC000419920159 1072227417 /nfs/dbraw/zinc/22/74/17/1072227417.db2.gz WMJHYGXYYZSUOW-HNNXBMFYSA-N 0 3 384.440 -0.050 20 0 GBADHN COc1cc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)ncn1 ZINC000419920161 1072227559 /nfs/dbraw/zinc/22/75/59/1072227559.db2.gz WMJHYGXYYZSUOW-OAHLLOKOSA-N 0 3 384.440 -0.050 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419923236 1072227634 /nfs/dbraw/zinc/22/76/34/1072227634.db2.gz GHBABKUWFZOHAZ-INIZCTEOSA-N 0 3 375.473 -0.575 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419923237 1072227599 /nfs/dbraw/zinc/22/75/99/1072227599.db2.gz GHBABKUWFZOHAZ-MRXNPFEDSA-N 0 3 375.473 -0.575 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925415 1072228274 /nfs/dbraw/zinc/22/82/74/1072228274.db2.gz IOTSZVHAIKTTOY-JXFKEZNVSA-N 0 3 388.468 -0.222 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925416 1072228282 /nfs/dbraw/zinc/22/82/82/1072228282.db2.gz IOTSZVHAIKTTOY-OXJNMPFZSA-N 0 3 388.468 -0.222 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925417 1072228318 /nfs/dbraw/zinc/22/83/18/1072228318.db2.gz IOTSZVHAIKTTOY-OXQOHEQNSA-N 0 3 388.468 -0.222 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925418 1072228133 /nfs/dbraw/zinc/22/81/33/1072228133.db2.gz IOTSZVHAIKTTOY-UZLBHIALSA-N 0 3 388.468 -0.222 20 0 GBADHN COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419927307 1072228256 /nfs/dbraw/zinc/22/82/56/1072228256.db2.gz JVIGVZSJKCWAMZ-HNNXBMFYSA-N 0 3 384.440 -0.050 20 0 GBADHN COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419927308 1072228147 /nfs/dbraw/zinc/22/81/47/1072228147.db2.gz JVIGVZSJKCWAMZ-OAHLLOKOSA-N 0 3 384.440 -0.050 20 0 GBADHN Nc1nsc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419929456 1072228187 /nfs/dbraw/zinc/22/81/87/1072228187.db2.gz MLEJGUQGQWTHCD-GFCCVEGCSA-N 0 3 375.458 -0.415 20 0 GBADHN Nc1nsc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419929458 1072228299 /nfs/dbraw/zinc/22/82/99/1072228299.db2.gz MLEJGUQGQWTHCD-LBPRGKRZSA-N 0 3 375.458 -0.415 20 0 GBADHN NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419930644 1072229230 /nfs/dbraw/zinc/22/92/30/1072229230.db2.gz OGYFOJBVRPPGEQ-INIZCTEOSA-N 0 3 396.451 -0.355 20 0 GBADHN NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419930645 1072229135 /nfs/dbraw/zinc/22/91/35/1072229135.db2.gz OGYFOJBVRPPGEQ-MRXNPFEDSA-N 0 3 396.451 -0.355 20 0 GBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419930676 1072229320 /nfs/dbraw/zinc/22/93/20/1072229320.db2.gz OMXJRHRBQCVGKB-HNNXBMFYSA-N 0 3 376.457 -0.102 20 0 GBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419930677 1072229361 /nfs/dbraw/zinc/22/93/61/1072229361.db2.gz OMXJRHRBQCVGKB-OAHLLOKOSA-N 0 3 376.457 -0.102 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419933377 1072230568 /nfs/dbraw/zinc/23/05/68/1072230568.db2.gz QNJZXDPTISDMCV-KRWDZBQOSA-N 0 3 378.473 -0.392 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419933380 1072230621 /nfs/dbraw/zinc/23/06/21/1072230621.db2.gz QNJZXDPTISDMCV-QGZVFWFLSA-N 0 3 378.473 -0.392 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000419935512 1072231604 /nfs/dbraw/zinc/23/16/04/1072231604.db2.gz SHCONDZHPFPALU-GDBMZVCRSA-N 0 3 376.457 -0.102 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000419935513 1072231194 /nfs/dbraw/zinc/23/11/94/1072231194.db2.gz SHCONDZHPFPALU-GOEBONIOSA-N 0 3 376.457 -0.102 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000419935514 1072231626 /nfs/dbraw/zinc/23/16/26/1072231626.db2.gz SHCONDZHPFPALU-HOCLYGCPSA-N 0 3 376.457 -0.102 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000419935515 1072231679 /nfs/dbraw/zinc/23/16/79/1072231679.db2.gz SHCONDZHPFPALU-ZBFHGGJFSA-N 0 3 376.457 -0.102 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1 ZINC000419935741 1072231718 /nfs/dbraw/zinc/23/17/18/1072231718.db2.gz SJXLDUJLOKSGJY-INIZCTEOSA-N 0 3 394.497 -0.171 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1 ZINC000419935742 1072231709 /nfs/dbraw/zinc/23/17/09/1072231709.db2.gz SJXLDUJLOKSGJY-MRXNPFEDSA-N 0 3 394.497 -0.171 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938196 1072231761 /nfs/dbraw/zinc/23/17/61/1072231761.db2.gz WOQIUQPSZLPNJW-CVEARBPZSA-N 0 3 394.497 -0.171 20 0 GBADHN N[C@@H](CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938198 1072231427 /nfs/dbraw/zinc/23/14/27/1072231427.db2.gz WOQIUQPSZLPNJW-HOTGVXAUSA-N 0 3 394.497 -0.171 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938200 1072231742 /nfs/dbraw/zinc/23/17/42/1072231742.db2.gz WOQIUQPSZLPNJW-HZPDHXFCSA-N 0 3 394.497 -0.171 20 0 GBADHN N[C@H](CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938202 1072231220 /nfs/dbraw/zinc/23/12/20/1072231220.db2.gz WOQIUQPSZLPNJW-JKSUJKDBSA-N 0 3 394.497 -0.171 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)nc1 ZINC000419938288 1072231495 /nfs/dbraw/zinc/23/14/95/1072231495.db2.gz WTVXRYDKICYJJX-INIZCTEOSA-N 0 3 396.451 -0.355 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)nc1 ZINC000419938289 1072231345 /nfs/dbraw/zinc/23/13/45/1072231345.db2.gz WTVXRYDKICYJJX-MRXNPFEDSA-N 0 3 396.451 -0.355 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419938538 1072232097 /nfs/dbraw/zinc/23/20/97/1072232097.db2.gz WZOJQFMXYIBPAI-RDJZCZTQSA-N 0 3 389.500 -0.139 20 0 GBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419938539 1072232376 /nfs/dbraw/zinc/23/23/76/1072232376.db2.gz WZOJQFMXYIBPAI-WBVHZDCISA-N 0 3 389.500 -0.139 20 0 GBADHN CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419966323 530350303 /nfs/dbraw/zinc/35/03/03/530350303.db2.gz YIDGOSVKJROEGC-AWEZNQCLSA-N 0 3 376.523 -0.204 20 0 GBADHN CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419966324 530350008 /nfs/dbraw/zinc/35/00/08/530350008.db2.gz YIDGOSVKJROEGC-CQSZACIVSA-N 0 3 376.523 -0.204 20 0 GBADHN COCCN(C(=O)C(=O)N[C@@H](CN)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000419966784 1072234628 /nfs/dbraw/zinc/23/46/28/1072234628.db2.gz MEJUPOMQOOZGRZ-CABCVRRESA-N 0 3 389.518 -0.328 20 0 GBADHN COCCN(C(=O)C(=O)N[C@@H](CN)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000419966885 1072234528 /nfs/dbraw/zinc/23/45/28/1072234528.db2.gz MEJUPOMQOOZGRZ-GJZGRUSLSA-N 0 3 389.518 -0.328 20 0 GBADHN COCCN(C(=O)C(=O)N[C@H](CN)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000419966886 1072234609 /nfs/dbraw/zinc/23/46/09/1072234609.db2.gz MEJUPOMQOOZGRZ-HUUCEWRRSA-N 0 3 389.518 -0.328 20 0 GBADHN COCCN(C(=O)C(=O)N[C@H](CN)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000419966887 1072234662 /nfs/dbraw/zinc/23/46/62/1072234662.db2.gz MEJUPOMQOOZGRZ-LSDHHAIUSA-N 0 3 389.518 -0.328 20 0 GBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000419978807 530349983 /nfs/dbraw/zinc/34/99/83/530349983.db2.gz OQMPZRAYFNUSEG-KBPBESRZSA-N 0 3 376.523 -0.204 20 0 GBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000419978811 530350206 /nfs/dbraw/zinc/35/02/06/530350206.db2.gz OQMPZRAYFNUSEG-KGLIPLIRSA-N 0 3 376.523 -0.204 20 0 GBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000419978815 530350295 /nfs/dbraw/zinc/35/02/95/530350295.db2.gz OQMPZRAYFNUSEG-UONOGXRCSA-N 0 3 376.523 -0.204 20 0 GBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000419978817 530349970 /nfs/dbraw/zinc/34/99/70/530349970.db2.gz OQMPZRAYFNUSEG-ZIAGYGMSSA-N 0 3 376.523 -0.204 20 0 GBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419994675 530350176 /nfs/dbraw/zinc/35/01/76/530350176.db2.gz GWZUXNKRAQOAJR-SECBINFHSA-N 0 3 394.906 -0.302 20 0 GBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000419995611 530350127 /nfs/dbraw/zinc/35/01/27/530350127.db2.gz IIWMHZNRFKQBLW-LLVKDONJSA-N 0 3 388.877 -0.364 20 0 GBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000420006716 530350027 /nfs/dbraw/zinc/35/00/27/530350027.db2.gz RGYULRWIDMIVHN-LLVKDONJSA-N 0 3 388.877 -0.364 20 0 GBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000420021094 530350052 /nfs/dbraw/zinc/35/00/52/530350052.db2.gz GWZUXNKRAQOAJR-VIFPVBQESA-N 0 3 394.906 -0.302 20 0 GBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000420021650 530350091 /nfs/dbraw/zinc/35/00/91/530350091.db2.gz IIWMHZNRFKQBLW-NSHDSACASA-N 0 3 388.877 -0.364 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027717 1072240854 /nfs/dbraw/zinc/24/08/54/1072240854.db2.gz DJACAVBEDQTAMB-GDBMZVCRSA-N 0 3 375.473 -0.045 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027718 1072240478 /nfs/dbraw/zinc/24/04/78/1072240478.db2.gz DJACAVBEDQTAMB-GOEBONIOSA-N 0 3 375.473 -0.045 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027719 1072240600 /nfs/dbraw/zinc/24/06/00/1072240600.db2.gz DJACAVBEDQTAMB-HOCLYGCPSA-N 0 3 375.473 -0.045 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027720 1072241108 /nfs/dbraw/zinc/24/11/08/1072241108.db2.gz DJACAVBEDQTAMB-ZBFHGGJFSA-N 0 3 375.473 -0.045 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420028169 1072240005 /nfs/dbraw/zinc/24/00/05/1072240005.db2.gz DNDSDHDWTGBCNL-KKUMJFAQSA-N 0 3 397.520 -0.726 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420028170 1072239857 /nfs/dbraw/zinc/23/98/57/1072239857.db2.gz DNDSDHDWTGBCNL-RRFJBIMHSA-N 0 3 397.520 -0.726 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420028171 1072241083 /nfs/dbraw/zinc/24/10/83/1072241083.db2.gz DNDSDHDWTGBCNL-SOUVJXGZSA-N 0 3 397.520 -0.726 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420028172 1072240551 /nfs/dbraw/zinc/24/05/51/1072240551.db2.gz DNDSDHDWTGBCNL-ZNMIVQPWSA-N 0 3 397.520 -0.726 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000420028604 1072241188 /nfs/dbraw/zinc/24/11/88/1072241188.db2.gz DXJCNQLNHPZBMD-ARFHVFGLSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000420028606 1072240971 /nfs/dbraw/zinc/24/09/71/1072240971.db2.gz DXJCNQLNHPZBMD-BZUAXINKSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000420028611 1072241042 /nfs/dbraw/zinc/24/10/42/1072241042.db2.gz DXJCNQLNHPZBMD-OAGGEKHMSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000420028613 1072240926 /nfs/dbraw/zinc/24/09/26/1072240926.db2.gz DXJCNQLNHPZBMD-XHSDSOJGSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029067 1072240837 /nfs/dbraw/zinc/24/08/37/1072240837.db2.gz FEZWGTJHFODOKN-CHWSQXEVSA-N 0 3 383.493 -0.132 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029068 1072240899 /nfs/dbraw/zinc/24/08/99/1072240899.db2.gz FEZWGTJHFODOKN-OLZOCXBDSA-N 0 3 383.493 -0.132 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029069 1072240713 /nfs/dbraw/zinc/24/07/13/1072240713.db2.gz FEZWGTJHFODOKN-QWHCGFSZSA-N 0 3 383.493 -0.132 20 0 GBADHN 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NC[C@@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc2ccccc2c1 ZINC000420085647 1072251915 /nfs/dbraw/zinc/25/19/15/1072251915.db2.gz ZIOXPDGMXVMPJW-HZPDHXFCSA-N 0 3 390.465 -0.155 20 0 GBADHN NC[C@@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc2ccccc2c1 ZINC000420085648 1072251656 /nfs/dbraw/zinc/25/16/56/1072251656.db2.gz ZIOXPDGMXVMPJW-JKSUJKDBSA-N 0 3 390.465 -0.155 20 0 GBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000420116467 530350313 /nfs/dbraw/zinc/35/03/13/530350313.db2.gz GHAVGAZEOAPRJZ-KBPBESRZSA-N 0 3 376.523 -0.060 20 0 GBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000420116470 530350069 /nfs/dbraw/zinc/35/00/69/530350069.db2.gz GHAVGAZEOAPRJZ-KGLIPLIRSA-N 0 3 376.523 -0.060 20 0 GBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000420116473 530350180 /nfs/dbraw/zinc/35/01/80/530350180.db2.gz GHAVGAZEOAPRJZ-UONOGXRCSA-N 0 3 376.523 -0.060 20 0 GBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000420116477 530350222 /nfs/dbraw/zinc/35/02/22/530350222.db2.gz GHAVGAZEOAPRJZ-ZIAGYGMSSA-N 0 3 376.523 -0.060 20 0 GBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 ZINC000420145896 1072259469 /nfs/dbraw/zinc/25/94/69/1072259469.db2.gz PIQLQEPIAYXJEY-CABCVRRESA-N 0 3 399.517 -0.165 20 0 GBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 ZINC000420145897 1072259634 /nfs/dbraw/zinc/25/96/34/1072259634.db2.gz PIQLQEPIAYXJEY-GJZGRUSLSA-N 0 3 399.517 -0.165 20 0 GBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 ZINC000420145898 1072259623 /nfs/dbraw/zinc/25/96/23/1072259623.db2.gz PIQLQEPIAYXJEY-HUUCEWRRSA-N 0 3 399.517 -0.165 20 0 GBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 ZINC000420145899 1072259617 /nfs/dbraw/zinc/25/96/17/1072259617.db2.gz PIQLQEPIAYXJEY-LSDHHAIUSA-N 0 3 399.517 -0.165 20 0 GBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 ZINC000420152920 530349943 /nfs/dbraw/zinc/34/99/43/530349943.db2.gz ZWVDHGNLMSBINV-AWEZNQCLSA-N 0 3 376.523 -0.060 20 0 GBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 ZINC000420152922 530350110 /nfs/dbraw/zinc/35/01/10/530350110.db2.gz ZWVDHGNLMSBINV-CQSZACIVSA-N 0 3 376.523 -0.060 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420185786 1072264852 /nfs/dbraw/zinc/26/48/52/1072264852.db2.gz ADBYGUDQDDRRKD-HNNXBMFYSA-N 0 3 378.404 -0.785 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420185787 1072264947 /nfs/dbraw/zinc/26/49/47/1072264947.db2.gz ADBYGUDQDDRRKD-OAHLLOKOSA-N 0 3 378.404 -0.785 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420186290 1072264043 /nfs/dbraw/zinc/26/40/43/1072264043.db2.gz AMGFQDKMUHVSNP-HNNXBMFYSA-N 0 3 394.859 -0.271 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420186291 1072263925 /nfs/dbraw/zinc/26/39/25/1072263925.db2.gz AMGFQDKMUHVSNP-OAHLLOKOSA-N 0 3 394.859 -0.271 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000420186318 1072264071 /nfs/dbraw/zinc/26/40/71/1072264071.db2.gz APDZLPXQJPYJAL-KRWDZBQOSA-N 0 3 375.469 -0.065 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000420186319 1072263811 /nfs/dbraw/zinc/26/38/11/1072263811.db2.gz APDZLPXQJPYJAL-QGZVFWFLSA-N 0 3 375.469 -0.065 20 0 GBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)n1 ZINC000420186685 1072263972 /nfs/dbraw/zinc/26/39/72/1072263972.db2.gz AUVKBYXKRQTZEH-AWEZNQCLSA-N 0 3 392.460 -0.981 20 0 GBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)n1 ZINC000420186686 1072263885 /nfs/dbraw/zinc/26/38/85/1072263885.db2.gz AUVKBYXKRQTZEH-CQSZACIVSA-N 0 3 392.460 -0.981 20 0 GBADHN COc1cc(CC2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)cc(OC)c1 ZINC000420187190 1072269193 /nfs/dbraw/zinc/26/91/93/1072269193.db2.gz BHBFSMMQJVMUIN-KRWDZBQOSA-N 0 3 377.441 -0.191 20 0 GBADHN COc1cc(CC2CN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)cc(OC)c1 ZINC000420187191 1072269292 /nfs/dbraw/zinc/26/92/92/1072269292.db2.gz BHBFSMMQJVMUIN-QGZVFWFLSA-N 0 3 377.441 -0.191 20 0 GBADHN CCOc1cc(NC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)ncn1 ZINC000420187209 1072269209 /nfs/dbraw/zinc/26/92/09/1072269209.db2.gz BINBEIUGZFEZRR-AWEZNQCLSA-N 0 3 392.460 -0.617 20 0 GBADHN CCOc1cc(NC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)ncn1 ZINC000420187210 1072268674 /nfs/dbraw/zinc/26/86/74/1072268674.db2.gz BINBEIUGZFEZRR-CQSZACIVSA-N 0 3 392.460 -0.617 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420187721 1072269929 /nfs/dbraw/zinc/26/99/29/1072269929.db2.gz BQYOPOPCHKEEGM-CYBMUJFWSA-N 0 3 396.410 -0.796 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420187722 1072269906 /nfs/dbraw/zinc/26/99/06/1072269906.db2.gz BQYOPOPCHKEEGM-ZDUSSCGKSA-N 0 3 396.410 -0.796 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000420188047 1072270191 /nfs/dbraw/zinc/27/01/91/1072270191.db2.gz CDDCHOFPJOHJCX-HNNXBMFYSA-N 0 3 394.859 -0.271 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000420188050 1072270331 /nfs/dbraw/zinc/27/03/31/1072270331.db2.gz CDDCHOFPJOHJCX-OAHLLOKOSA-N 0 3 394.859 -0.271 20 0 GBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1F ZINC000420189315 1072270237 /nfs/dbraw/zinc/27/02/37/1072270237.db2.gz DJTDNKFHGXQGFI-HNNXBMFYSA-N 0 3 392.431 -0.477 20 0 GBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1F ZINC000420189316 1072270140 /nfs/dbraw/zinc/27/01/40/1072270140.db2.gz DJTDNKFHGXQGFI-OAHLLOKOSA-N 0 3 392.431 -0.477 20 0 GBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)s1 ZINC000420189319 1072270052 /nfs/dbraw/zinc/27/00/52/1072270052.db2.gz DKYJKSLUTMQTGU-GFCCVEGCSA-N 0 3 396.469 -0.712 20 0 GBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)s1 ZINC000420189320 1072270122 /nfs/dbraw/zinc/27/01/22/1072270122.db2.gz DKYJKSLUTMQTGU-LBPRGKRZSA-N 0 3 396.469 -0.712 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420189794 1072270260 /nfs/dbraw/zinc/27/02/60/1072270260.db2.gz DYGFZMKLLGFZAQ-HNNXBMFYSA-N 0 3 378.404 -0.899 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420189800 1072269983 /nfs/dbraw/zinc/26/99/83/1072269983.db2.gz DYGFZMKLLGFZAQ-OAHLLOKOSA-N 0 3 378.404 -0.899 20 0 GBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420190001 1072269637 /nfs/dbraw/zinc/26/96/37/1072269637.db2.gz FKGUOEUIUWNXDT-INIZCTEOSA-N 0 3 390.440 -0.916 20 0 GBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420190002 1072270011 /nfs/dbraw/zinc/27/00/11/1072270011.db2.gz FKGUOEUIUWNXDT-MRXNPFEDSA-N 0 3 390.440 -0.916 20 0 GBADHN O=C(CC1CCCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420190508 1072269703 /nfs/dbraw/zinc/26/97/03/1072269703.db2.gz FXURKWTZVBNPHR-INIZCTEOSA-N 0 3 380.489 -0.268 20 0 GBADHN O=C(CC1CCCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420190510 1072269884 /nfs/dbraw/zinc/26/98/84/1072269884.db2.gz FXURKWTZVBNPHR-MRXNPFEDSA-N 0 3 380.489 -0.268 20 0 GBADHN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420191734 1072270848 /nfs/dbraw/zinc/27/08/48/1072270848.db2.gz HMEGORMXBMGZGI-KBPBESRZSA-N 0 3 377.445 -0.768 20 0 GBADHN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420191736 1072270907 /nfs/dbraw/zinc/27/09/07/1072270907.db2.gz HMEGORMXBMGZGI-KGLIPLIRSA-N 0 3 377.445 -0.768 20 0 GBADHN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420191738 1072270974 /nfs/dbraw/zinc/27/09/74/1072270974.db2.gz HMEGORMXBMGZGI-UONOGXRCSA-N 0 3 377.445 -0.768 20 0 GBADHN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420191739 1072271126 /nfs/dbraw/zinc/27/11/26/1072271126.db2.gz HMEGORMXBMGZGI-ZIAGYGMSSA-N 0 3 377.445 -0.768 20 0 GBADHN COc1ccc(F)c(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420192241 1072270824 /nfs/dbraw/zinc/27/08/24/1072270824.db2.gz HWGGUHXRVFVIIH-AWEZNQCLSA-N 0 3 380.420 -0.413 20 0 GBADHN COc1ccc(F)c(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420192244 1072271156 /nfs/dbraw/zinc/27/11/56/1072271156.db2.gz HWGGUHXRVFVIIH-CQSZACIVSA-N 0 3 380.420 -0.413 20 0 GBADHN Cc1cccc(CC2(O)CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420192255 1072271148 /nfs/dbraw/zinc/27/11/48/1072271148.db2.gz HWRTVHZRSGDWBV-KRWDZBQOSA-N 0 3 375.469 -0.004 20 0 GBADHN Cc1cccc(CC2(O)CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420192256 1072270949 /nfs/dbraw/zinc/27/09/49/1072270949.db2.gz HWRTVHZRSGDWBV-QGZVFWFLSA-N 0 3 375.469 -0.004 20 0 GBADHN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)n1 ZINC000420192309 1072270660 /nfs/dbraw/zinc/27/06/60/1072270660.db2.gz AWVIKCFRWXCASU-CABCVRRESA-N 0 3 389.456 -0.328 20 0 GBADHN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)n1 ZINC000420192310 1072271085 /nfs/dbraw/zinc/27/10/85/1072271085.db2.gz AWVIKCFRWXCASU-GJZGRUSLSA-N 0 3 389.456 -0.328 20 0 GBADHN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)n1 ZINC000420192312 1072270614 /nfs/dbraw/zinc/27/06/14/1072270614.db2.gz AWVIKCFRWXCASU-HUUCEWRRSA-N 0 3 389.456 -0.328 20 0 GBADHN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)n1 ZINC000420192314 1072271136 /nfs/dbraw/zinc/27/11/36/1072271136.db2.gz AWVIKCFRWXCASU-LSDHHAIUSA-N 0 3 389.456 -0.328 20 0 GBADHN COc1ccccc1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420192801 1072271638 /nfs/dbraw/zinc/27/16/38/1072271638.db2.gz IELHTBIGFABVMJ-INIZCTEOSA-N 0 3 376.457 -0.556 20 0 GBADHN COc1ccccc1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420192802 1072271851 /nfs/dbraw/zinc/27/18/51/1072271851.db2.gz IELHTBIGFABVMJ-MRXNPFEDSA-N 0 3 376.457 -0.556 20 0 GBADHN COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420192823 1072271701 /nfs/dbraw/zinc/27/17/01/1072271701.db2.gz IHPNTJVAGSCJBJ-INIZCTEOSA-N 0 3 394.447 -0.417 20 0 GBADHN COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420192824 1072271687 /nfs/dbraw/zinc/27/16/87/1072271687.db2.gz IHPNTJVAGSCJBJ-MRXNPFEDSA-N 0 3 394.447 -0.417 20 0 GBADHN COc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420193433 1072271173 /nfs/dbraw/zinc/27/11/73/1072271173.db2.gz IWZGCQKCMJDTLT-GOSISDBHSA-N 0 3 390.484 -0.166 20 0 GBADHN COc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420193435 1072271033 /nfs/dbraw/zinc/27/10/33/1072271033.db2.gz IWZGCQKCMJDTLT-SFHVURJKSA-N 0 3 390.484 -0.166 20 0 GBADHN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420193772 1072271616 /nfs/dbraw/zinc/27/16/16/1072271616.db2.gz JHCDYCINKFMACL-KRWDZBQOSA-N 0 3 388.468 -0.687 20 0 GBADHN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420193774 1072272101 /nfs/dbraw/zinc/27/21/01/1072272101.db2.gz JHCDYCINKFMACL-QGZVFWFLSA-N 0 3 388.468 -0.687 20 0 GBADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c(C)o1 ZINC000420194251 1072271664 /nfs/dbraw/zinc/27/16/64/1072271664.db2.gz JLOKVGUJCCFKBG-AWEZNQCLSA-N 0 3 378.429 -0.715 20 0 GBADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c(C)o1 ZINC000420194252 1072271499 /nfs/dbraw/zinc/27/14/99/1072271499.db2.gz JLOKVGUJCCFKBG-CQSZACIVSA-N 0 3 378.429 -0.715 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000420194787 1072271776 /nfs/dbraw/zinc/27/17/76/1072271776.db2.gz KCTFBUACOUTVCZ-CRAIPNDOSA-N 0 3 381.860 -0.050 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000420194788 1072271918 /nfs/dbraw/zinc/27/19/18/1072271918.db2.gz KCTFBUACOUTVCZ-MAUKXSAKSA-N 0 3 381.860 -0.050 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000420194789 1072271709 /nfs/dbraw/zinc/27/17/09/1072271709.db2.gz KCTFBUACOUTVCZ-QAPCUYQASA-N 0 3 381.860 -0.050 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000420194790 1072271880 /nfs/dbraw/zinc/27/18/80/1072271880.db2.gz KCTFBUACOUTVCZ-YJBOKZPZSA-N 0 3 381.860 -0.050 20 0 GBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)C[C@@H]1c1ccccc1 ZINC000420195602 1072271603 /nfs/dbraw/zinc/27/16/03/1072271603.db2.gz KSTSHCKFVNMPPU-ARFHVFGLSA-N 0 3 375.425 -0.494 20 0 GBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)C[C@@H]1c1ccccc1 ZINC000420195604 1072271528 /nfs/dbraw/zinc/27/15/28/1072271528.db2.gz KSTSHCKFVNMPPU-BZUAXINKSA-N 0 3 375.425 -0.494 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420195736 1072272089 /nfs/dbraw/zinc/27/20/89/1072272089.db2.gz KVLRCSGDUDAHBK-CYBMUJFWSA-N 0 3 396.394 -0.646 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420195747 1072271734 /nfs/dbraw/zinc/27/17/34/1072271734.db2.gz KVLRCSGDUDAHBK-ZDUSSCGKSA-N 0 3 396.394 -0.646 20 0 GBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420196180 1072271592 /nfs/dbraw/zinc/27/15/92/1072271592.db2.gz LFFNFERSNDPGFL-INIZCTEOSA-N 0 3 390.440 -0.916 20 0 GBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420196182 1072272058 /nfs/dbraw/zinc/27/20/58/1072272058.db2.gz LFFNFERSNDPGFL-MRXNPFEDSA-N 0 3 390.440 -0.916 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420196268 1072271576 /nfs/dbraw/zinc/27/15/76/1072271576.db2.gz LJVVHNPJOGZPCA-GFCCVEGCSA-N 0 3 396.394 -0.646 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420196270 1072271626 /nfs/dbraw/zinc/27/16/26/1072271626.db2.gz LJVVHNPJOGZPCA-LBPRGKRZSA-N 0 3 396.394 -0.646 20 0 GBADHN O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420196647 1072271815 /nfs/dbraw/zinc/27/18/15/1072271815.db2.gz IOPSDFDYEHGQAI-HNNXBMFYSA-N 0 3 392.431 -0.856 20 0 GBADHN O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420196648 1072271726 /nfs/dbraw/zinc/27/17/26/1072271726.db2.gz IOPSDFDYEHGQAI-OAHLLOKOSA-N 0 3 392.431 -0.856 20 0 GBADHN CCc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420196883 1072267117 /nfs/dbraw/zinc/26/71/17/1072267117.db2.gz LSPLWJXAWFYBHQ-KRWDZBQOSA-N 0 3 388.468 -0.362 20 0 GBADHN CCc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420196885 1072267212 /nfs/dbraw/zinc/26/72/12/1072267212.db2.gz LSPLWJXAWFYBHQ-QGZVFWFLSA-N 0 3 388.468 -0.362 20 0 GBADHN COC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420197535 1072266128 /nfs/dbraw/zinc/26/61/28/1072266128.db2.gz MCCXHCFCPBLWHT-INIZCTEOSA-N 0 3 389.452 -0.176 20 0 GBADHN COC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420197540 1072265868 /nfs/dbraw/zinc/26/58/68/1072265868.db2.gz MCCXHCFCPBLWHT-MRXNPFEDSA-N 0 3 389.452 -0.176 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000420197557 1072266176 /nfs/dbraw/zinc/26/61/76/1072266176.db2.gz MDNBPPMMWCPLNT-KRWDZBQOSA-N 0 3 378.448 -0.035 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000420197559 1072266016 /nfs/dbraw/zinc/26/60/16/1072266016.db2.gz MDNBPPMMWCPLNT-QGZVFWFLSA-N 0 3 378.448 -0.035 20 0 GBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)s1 ZINC000420198304 1072267137 /nfs/dbraw/zinc/26/71/37/1072267137.db2.gz MMWNUZYAXOGFPT-CYBMUJFWSA-N 0 3 380.470 -0.554 20 0 GBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)s1 ZINC000420198307 1072267003 /nfs/dbraw/zinc/26/70/03/1072267003.db2.gz MMWNUZYAXOGFPT-ZDUSSCGKSA-N 0 3 380.470 -0.554 20 0 GBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)Cc2ccccc21 ZINC000420198836 1072267153 /nfs/dbraw/zinc/26/71/53/1072267153.db2.gz MTJSRJXAJKTJMP-GDBMZVCRSA-N 0 3 375.425 -0.220 20 0 GBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)Cc2ccccc21 ZINC000420198841 1072267030 /nfs/dbraw/zinc/26/70/30/1072267030.db2.gz MTJSRJXAJKTJMP-GOEBONIOSA-N 0 3 375.425 -0.220 20 0 GBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)Cc2ccccc21 ZINC000420198846 1072266743 /nfs/dbraw/zinc/26/67/43/1072266743.db2.gz MTJSRJXAJKTJMP-HOCLYGCPSA-N 0 3 375.425 -0.220 20 0 GBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)Cc2ccccc21 ZINC000420198850 1072266654 /nfs/dbraw/zinc/26/66/54/1072266654.db2.gz MTJSRJXAJKTJMP-ZBFHGGJFSA-N 0 3 375.425 -0.220 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420198918 1072267193 /nfs/dbraw/zinc/26/71/93/1072267193.db2.gz MWGMJYXWAVZKOA-CYBMUJFWSA-N 0 3 396.394 -0.646 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420198921 1072266930 /nfs/dbraw/zinc/26/69/30/1072266930.db2.gz MWGMJYXWAVZKOA-ZDUSSCGKSA-N 0 3 396.394 -0.646 20 0 GBADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201370 1072266530 /nfs/dbraw/zinc/26/65/30/1072266530.db2.gz OKBYYKWXPXPDMT-GOSISDBHSA-N 0 3 389.500 -0.628 20 0 GBADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201371 1072266816 /nfs/dbraw/zinc/26/68/16/1072266816.db2.gz OKBYYKWXPXPDMT-SFHVURJKSA-N 0 3 389.500 -0.628 20 0 GBADHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420202351 1072266679 /nfs/dbraw/zinc/26/66/79/1072266679.db2.gz PCLMIAUCLNAINR-KNBMTAEXSA-N 0 3 391.468 -0.340 20 0 GBADHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420202352 1072266872 /nfs/dbraw/zinc/26/68/72/1072266872.db2.gz PCLMIAUCLNAINR-RIFZZMRRSA-N 0 3 391.468 -0.340 20 0 GBADHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420202353 1072267020 /nfs/dbraw/zinc/26/70/20/1072267020.db2.gz PCLMIAUCLNAINR-VPWXQRGCSA-N 0 3 391.468 -0.340 20 0 GBADHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420202354 1072266944 /nfs/dbraw/zinc/26/69/44/1072266944.db2.gz PCLMIAUCLNAINR-XAUMDUMWSA-N 0 3 391.468 -0.340 20 0 GBADHN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)nc1 ZINC000420202883 1072267523 /nfs/dbraw/zinc/26/75/23/1072267523.db2.gz QALBLSYQIHPWSF-CABCVRRESA-N 0 3 389.456 -0.328 20 0 GBADHN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)nc1 ZINC000420202884 1072267551 /nfs/dbraw/zinc/26/75/51/1072267551.db2.gz QALBLSYQIHPWSF-GJZGRUSLSA-N 0 3 389.456 -0.328 20 0 GBADHN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)nc1 ZINC000420202885 1072267593 /nfs/dbraw/zinc/26/75/93/1072267593.db2.gz QALBLSYQIHPWSF-HUUCEWRRSA-N 0 3 389.456 -0.328 20 0 GBADHN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)nc1 ZINC000420202886 1072267964 /nfs/dbraw/zinc/26/79/64/1072267964.db2.gz QALBLSYQIHPWSF-LSDHHAIUSA-N 0 3 389.456 -0.328 20 0 GBADHN CCOc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420202945 1072268115 /nfs/dbraw/zinc/26/81/15/1072268115.db2.gz PTZIWZPQKMHSJE-GOSISDBHSA-N 0 3 390.484 -0.166 20 0 GBADHN CCOc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420202946 1072267566 /nfs/dbraw/zinc/26/75/66/1072267566.db2.gz PTZIWZPQKMHSJE-SFHVURJKSA-N 0 3 390.484 -0.166 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000420203004 1072267718 /nfs/dbraw/zinc/26/77/18/1072267718.db2.gz PWMQHPPKPNCBSN-GFCCVEGCSA-N 0 3 390.469 -0.556 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000420203005 1072267615 /nfs/dbraw/zinc/26/76/15/1072267615.db2.gz PWMQHPPKPNCBSN-LBPRGKRZSA-N 0 3 390.469 -0.556 20 0 GBADHN CCOc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420203395 1072268027 /nfs/dbraw/zinc/26/80/27/1072268027.db2.gz QNYABXWKHMOXQF-HNNXBMFYSA-N 0 3 376.457 -0.162 20 0 GBADHN CCOc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420203398 1072268128 /nfs/dbraw/zinc/26/81/28/1072268128.db2.gz QNYABXWKHMOXQF-OAHLLOKOSA-N 0 3 376.457 -0.162 20 0 GBADHN COc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420203645 1072267457 /nfs/dbraw/zinc/26/74/57/1072267457.db2.gz QNIIRXXJEDBKER-AWEZNQCLSA-N 0 3 380.420 -0.413 20 0 GBADHN COc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420203646 1072268231 /nfs/dbraw/zinc/26/82/31/1072268231.db2.gz QNIIRXXJEDBKER-CQSZACIVSA-N 0 3 380.420 -0.413 20 0 GBADHN Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420204535 1072267581 /nfs/dbraw/zinc/26/75/81/1072267581.db2.gz RCFWCGICKARQPF-KRWDZBQOSA-N 0 3 388.468 -0.687 20 0 GBADHN Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420204536 1072267603 /nfs/dbraw/zinc/26/76/03/1072267603.db2.gz RCFWCGICKARQPF-QGZVFWFLSA-N 0 3 388.468 -0.687 20 0 GBADHN COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)ccc1F ZINC000420205632 1072268777 /nfs/dbraw/zinc/26/87/77/1072268777.db2.gz RWHQRPAPTBMIDE-AWEZNQCLSA-N 0 3 380.420 -0.413 20 0 GBADHN COc1cc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)ccc1F ZINC000420205634 1072269311 /nfs/dbraw/zinc/26/93/11/1072269311.db2.gz RWHQRPAPTBMIDE-CQSZACIVSA-N 0 3 380.420 -0.413 20 0 GBADHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420205646 1072269337 /nfs/dbraw/zinc/26/93/37/1072269337.db2.gz RWVFNHYEZVRDDJ-CABCVRRESA-N 0 3 393.419 -0.347 20 0 GBADHN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420205649 1072268524 /nfs/dbraw/zinc/26/85/24/1072268524.db2.gz RWVFNHYEZVRDDJ-GJZGRUSLSA-N 0 3 393.419 -0.347 20 0 GBADHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420205650 1072268983 /nfs/dbraw/zinc/26/89/83/1072268983.db2.gz RWVFNHYEZVRDDJ-HUUCEWRRSA-N 0 3 393.419 -0.347 20 0 GBADHN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420205652 1072268618 /nfs/dbraw/zinc/26/86/18/1072268618.db2.gz RWVFNHYEZVRDDJ-LSDHHAIUSA-N 0 3 393.419 -0.347 20 0 GBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000420207202 1072268584 /nfs/dbraw/zinc/26/85/84/1072268584.db2.gz TUMKGTRYWJROSC-DOMZBBRYSA-N 0 3 378.404 -0.506 20 0 GBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420207203 1072268602 /nfs/dbraw/zinc/26/86/02/1072268602.db2.gz TUMKGTRYWJROSC-IUODEOHRSA-N 0 3 378.404 -0.506 20 0 GBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420207204 1072268696 /nfs/dbraw/zinc/26/86/96/1072268696.db2.gz TUMKGTRYWJROSC-SWLSCSKDSA-N 0 3 378.404 -0.506 20 0 GBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000420207205 1072268901 /nfs/dbraw/zinc/26/89/01/1072268901.db2.gz TUMKGTRYWJROSC-WFASDCNBSA-N 0 3 378.404 -0.506 20 0 GBADHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420207224 1072268866 /nfs/dbraw/zinc/26/88/66/1072268866.db2.gz TVPUJGDQDNKQII-AWEZNQCLSA-N 0 3 379.413 -0.505 20 0 GBADHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420207225 1072268655 /nfs/dbraw/zinc/26/86/55/1072268655.db2.gz TVPUJGDQDNKQII-CQSZACIVSA-N 0 3 379.413 -0.505 20 0 GBADHN CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)n1 ZINC000420207732 1072274412 /nfs/dbraw/zinc/27/44/12/1072274412.db2.gz XIYMWVQAKIUELF-AWEZNQCLSA-N 0 3 377.445 -0.767 20 0 GBADHN CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)n1 ZINC000420207734 1072274108 /nfs/dbraw/zinc/27/41/08/1072274108.db2.gz XIYMWVQAKIUELF-CQSZACIVSA-N 0 3 377.445 -0.767 20 0 GBADHN CCc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cs1 ZINC000420208497 1072274463 /nfs/dbraw/zinc/27/44/63/1072274463.db2.gz UXKAWPJCWJHJAA-AWEZNQCLSA-N 0 3 381.502 -0.546 20 0 GBADHN CCc1nc(CN2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cs1 ZINC000420208500 1072274154 /nfs/dbraw/zinc/27/41/54/1072274154.db2.gz UXKAWPJCWJHJAA-CQSZACIVSA-N 0 3 381.502 -0.546 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000420210252 1072275551 /nfs/dbraw/zinc/27/55/51/1072275551.db2.gz WBLUSYBDEPJERO-KSZLIROESA-N 0 3 388.468 -0.797 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000420210258 1072275192 /nfs/dbraw/zinc/27/51/92/1072275192.db2.gz WBLUSYBDEPJERO-KURKYZTESA-N 0 3 388.468 -0.797 20 0 GBADHN COc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1F ZINC000420210318 1072275349 /nfs/dbraw/zinc/27/53/49/1072275349.db2.gz WDXSCWFKIDXSLP-HNNXBMFYSA-N 0 3 394.447 -0.417 20 0 GBADHN COc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1F ZINC000420210321 1072275381 /nfs/dbraw/zinc/27/53/81/1072275381.db2.gz WDXSCWFKIDXSLP-OAHLLOKOSA-N 0 3 394.447 -0.417 20 0 GBADHN COCCN(CCOc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420210425 1072275170 /nfs/dbraw/zinc/27/51/70/1072275170.db2.gz WHOSAKDTQVRYNZ-INIZCTEOSA-N 0 3 383.420 -0.216 20 0 GBADHN COCCN(CCOc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420210429 1072275511 /nfs/dbraw/zinc/27/55/11/1072275511.db2.gz WHOSAKDTQVRYNZ-MRXNPFEDSA-N 0 3 383.420 -0.216 20 0 GBADHN Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420210886 1072275754 /nfs/dbraw/zinc/27/57/54/1072275754.db2.gz WMHTYVNKFIJPMQ-KRWDZBQOSA-N 0 3 388.468 -0.226 20 0 GBADHN Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420210889 1072275907 /nfs/dbraw/zinc/27/59/07/1072275907.db2.gz WMHTYVNKFIJPMQ-QGZVFWFLSA-N 0 3 388.468 -0.226 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000420211007 1072275861 /nfs/dbraw/zinc/27/58/61/1072275861.db2.gz WVJVVOGHHVIACN-GFCCVEGCSA-N 0 3 390.469 -0.556 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000420211008 1072275923 /nfs/dbraw/zinc/27/59/23/1072275923.db2.gz WVJVVOGHHVIACN-LBPRGKRZSA-N 0 3 390.469 -0.556 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000420211411 1072275334 /nfs/dbraw/zinc/27/53/34/1072275334.db2.gz XAPPJFKHTWQEQW-DLBZAZTESA-N 0 3 388.468 -0.098 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000420211413 1072275136 /nfs/dbraw/zinc/27/51/36/1072275136.db2.gz XAPPJFKHTWQEQW-IAGOWNOFSA-N 0 3 388.468 -0.098 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000420211415 1072275320 /nfs/dbraw/zinc/27/53/20/1072275320.db2.gz XAPPJFKHTWQEQW-IRXDYDNUSA-N 0 3 388.468 -0.098 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000420211417 1072275410 /nfs/dbraw/zinc/27/54/10/1072275410.db2.gz XAPPJFKHTWQEQW-SJORKVTESA-N 0 3 388.468 -0.098 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000420211427 1072275805 /nfs/dbraw/zinc/27/58/05/1072275805.db2.gz XCNLOVPARDLSAF-HNNXBMFYSA-N 0 3 394.859 -0.385 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000420211428 1072275489 /nfs/dbraw/zinc/27/54/89/1072275489.db2.gz XCNLOVPARDLSAF-OAHLLOKOSA-N 0 3 394.859 -0.385 20 0 GBADHN COc1cc2c(cc1OC)CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)CC2 ZINC000420212395 1072276493 /nfs/dbraw/zinc/27/64/93/1072276493.db2.gz XSWICBMIJSIULK-HNNXBMFYSA-N 0 3 377.441 -0.264 20 0 GBADHN COc1cc2c(cc1OC)CCN(C(=O)C(=O)NC[C@H]1CNCCO1)CC2 ZINC000420212399 1072276802 /nfs/dbraw/zinc/27/68/02/1072276802.db2.gz XSWICBMIJSIULK-OAHLLOKOSA-N 0 3 377.441 -0.264 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420213687 1072276678 /nfs/dbraw/zinc/27/66/78/1072276678.db2.gz YYNFHUJXAXIKLV-HNNXBMFYSA-N 0 3 394.859 -0.385 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420213689 1072276442 /nfs/dbraw/zinc/27/64/42/1072276442.db2.gz YYNFHUJXAXIKLV-OAHLLOKOSA-N 0 3 394.859 -0.385 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000420213702 1072276835 /nfs/dbraw/zinc/27/68/35/1072276835.db2.gz YZURKKQATCKVCZ-INIZCTEOSA-N 0 3 377.441 -0.213 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000420213706 1072276291 /nfs/dbraw/zinc/27/62/91/1072276291.db2.gz YZURKKQATCKVCZ-MRXNPFEDSA-N 0 3 377.441 -0.213 20 0 GBADHN Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)nc(C(C)C)n1 ZINC000420213992 1072276729 /nfs/dbraw/zinc/27/67/29/1072276729.db2.gz ZCYGYGGIHJSUII-HNNXBMFYSA-N 0 3 390.488 -0.338 20 0 GBADHN Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)nc(C(C)C)n1 ZINC000420213995 1072276951 /nfs/dbraw/zinc/27/69/51/1072276951.db2.gz ZCYGYGGIHJSUII-OAHLLOKOSA-N 0 3 390.488 -0.338 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000420214570 1072276543 /nfs/dbraw/zinc/27/65/43/1072276543.db2.gz ZLSJDHYLRVLNDM-KRWDZBQOSA-N 0 3 376.457 -0.686 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000420214572 1072276606 /nfs/dbraw/zinc/27/66/06/1072276606.db2.gz ZLSJDHYLRVLNDM-QGZVFWFLSA-N 0 3 376.457 -0.686 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000420214581 1072276395 /nfs/dbraw/zinc/27/63/95/1072276395.db2.gz ZMNLGPAREASCLE-HNNXBMFYSA-N 0 3 378.404 -0.785 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000420214582 1072276824 /nfs/dbraw/zinc/27/68/24/1072276824.db2.gz ZMNLGPAREASCLE-OAHLLOKOSA-N 0 3 378.404 -0.785 20 0 GBADHN O=C(CCC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420214876 1072277212 /nfs/dbraw/zinc/27/72/12/1072277212.db2.gz ZYKUAZQHNWJSBK-INIZCTEOSA-N 0 3 380.489 -0.268 20 0 GBADHN O=C(CCC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420214880 1072277303 /nfs/dbraw/zinc/27/73/03/1072277303.db2.gz ZYKUAZQHNWJSBK-MRXNPFEDSA-N 0 3 380.489 -0.268 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000420214889 1072277282 /nfs/dbraw/zinc/27/72/82/1072277282.db2.gz ZYWMYZLJVKSSBU-HNNXBMFYSA-N 0 3 399.451 -0.443 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000420214891 1072277876 /nfs/dbraw/zinc/27/78/76/1072277876.db2.gz ZYWMYZLJVKSSBU-OAHLLOKOSA-N 0 3 399.451 -0.443 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420466725 530350065 /nfs/dbraw/zinc/35/00/65/530350065.db2.gz BEAXZSPUGGYLLG-GXTWGEPZSA-N 0 3 379.479 -0.179 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420469857 530350216 /nfs/dbraw/zinc/35/02/16/530350216.db2.gz KTJBKEUKWHHZPV-UONOGXRCSA-N 0 3 379.479 -0.179 20 0 GBADHN O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)NC[C@H]1CNCCO1 ZINC000420472109 1072284277 /nfs/dbraw/zinc/28/42/77/1072284277.db2.gz BQXYQECPOPQYCQ-CYBMUJFWSA-N 0 3 397.453 -0.793 20 0 GBADHN O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)NC[C@@H]1CNCCO1 ZINC000420472115 1072284267 /nfs/dbraw/zinc/28/42/67/1072284267.db2.gz BQXYQECPOPQYCQ-ZDUSSCGKSA-N 0 3 397.453 -0.793 20 0 GBADHN NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420476522 530350094 /nfs/dbraw/zinc/35/00/94/530350094.db2.gz IKFGPBXLUOYREC-JTQLQIEISA-N 0 3 378.248 -0.185 20 0 GBADHN NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420476524 530350263 /nfs/dbraw/zinc/35/02/63/530350263.db2.gz IKFGPBXLUOYREC-SNVBAGLBSA-N 0 3 378.248 -0.185 20 0 GBADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1 ZINC000420478407 530350023 /nfs/dbraw/zinc/35/00/23/530350023.db2.gz KYADIPYINIJFDC-CYBMUJFWSA-N 0 3 391.515 -0.016 20 0 GBADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420478408 530350105 /nfs/dbraw/zinc/35/01/05/530350105.db2.gz KYADIPYINIJFDC-ZDUSSCGKSA-N 0 3 391.515 -0.016 20 0 GBADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420483395 530349927 /nfs/dbraw/zinc/34/99/27/530349927.db2.gz WFGXYTHNARRKTI-CYBMUJFWSA-N 0 3 391.515 -0.016 20 0 GBADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420483396 530350709 /nfs/dbraw/zinc/35/07/09/530350709.db2.gz WFGXYTHNARRKTI-ZDUSSCGKSA-N 0 3 391.515 -0.016 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000420888075 1072303161 /nfs/dbraw/zinc/30/31/61/1072303161.db2.gz FWKKENLBICHTGV-AWEZNQCLSA-N 0 3 393.488 -0.090 20 0 GBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000420888079 1072303257 /nfs/dbraw/zinc/30/32/57/1072303257.db2.gz FWKKENLBICHTGV-CQSZACIVSA-N 0 3 393.488 -0.090 20 0 GBADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420971825 1072305836 /nfs/dbraw/zinc/30/58/36/1072305836.db2.gz IPJOPJZQZZLMAE-HNNXBMFYSA-N 0 3 394.497 -0.413 20 0 GBADHN CNC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420971826 1072306154 /nfs/dbraw/zinc/30/61/54/1072306154.db2.gz IPJOPJZQZZLMAE-OAHLLOKOSA-N 0 3 394.497 -0.413 20 0 GBADHN C[C@@H]1CC[C@H](O)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421028638 1072308774 /nfs/dbraw/zinc/30/87/74/1072308774.db2.gz WLHZRNRFYMDGQD-BDXSIMOUSA-N 0 3 396.532 -0.652 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1C(C)C ZINC000421186169 1072320030 /nfs/dbraw/zinc/32/00/30/1072320030.db2.gz RVHQHEWWSPKIQQ-UHFFFAOYSA-N 0 3 390.488 0.478 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1C(C)C ZINC000421198844 1072320542 /nfs/dbraw/zinc/32/05/42/1072320542.db2.gz DDDNFYBQFRUDHL-HNNXBMFYSA-N 0 3 390.488 0.476 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C(C)C ZINC000421198847 1072321206 /nfs/dbraw/zinc/32/12/06/1072321206.db2.gz DDDNFYBQFRUDHL-OAHLLOKOSA-N 0 3 390.488 0.476 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 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393.532 -0.306 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422128563 1072352063 /nfs/dbraw/zinc/35/20/63/1072352063.db2.gz YPRTXHXLGSLUIB-IRXDYDNUSA-N 0 3 393.532 -0.306 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422128565 1072352257 /nfs/dbraw/zinc/35/22/57/1072352257.db2.gz YPRTXHXLGSLUIB-SJORKVTESA-N 0 3 393.532 -0.306 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000422130628 1072357799 /nfs/dbraw/zinc/35/77/99/1072357799.db2.gz GSJVACMTSOJVDB-CVEARBPZSA-N 0 3 382.505 -0.524 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000422130630 1072357715 /nfs/dbraw/zinc/35/77/15/1072357715.db2.gz GSJVACMTSOJVDB-HOTGVXAUSA-N 0 3 382.505 -0.524 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000422130632 1072357662 /nfs/dbraw/zinc/35/76/62/1072357662.db2.gz GSJVACMTSOJVDB-HZPDHXFCSA-N 0 3 382.505 -0.524 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000422130634 1072357534 /nfs/dbraw/zinc/35/75/34/1072357534.db2.gz GSJVACMTSOJVDB-JKSUJKDBSA-N 0 3 382.505 -0.524 20 0 GBADHN CCN(CCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1)S(C)(=O)=O ZINC000422162006 530355269 /nfs/dbraw/zinc/35/52/69/530355269.db2.gz VGVCNTYXSSZKIP-AWEZNQCLSA-N 0 3 376.523 -0.285 20 0 GBADHN CCN(CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1)S(C)(=O)=O ZINC000422162008 530355519 /nfs/dbraw/zinc/35/55/19/530355519.db2.gz VGVCNTYXSSZKIP-CQSZACIVSA-N 0 3 376.523 -0.285 20 0 GBADHN COCCN1CCC(NC(=O)C(=O)N2CCSC[C@H](C(=O)OC)C2)CC1 ZINC000422236497 1072433181 /nfs/dbraw/zinc/43/31/81/1072433181.db2.gz JHKHGNSWKRKMEL-CYBMUJFWSA-N 0 3 387.502 -0.422 20 0 GBADHN COCCN1CCC(NC(=O)C(=O)N2CCSC[C@@H](C(=O)OC)C2)CC1 ZINC000422236501 1072433334 /nfs/dbraw/zinc/43/33/34/1072433334.db2.gz JHKHGNSWKRKMEL-ZDUSSCGKSA-N 0 3 387.502 -0.422 20 0 GBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000422261195 1072434815 /nfs/dbraw/zinc/43/48/15/1072434815.db2.gz OVSHIGRZPYCWQR-CRAIPNDOSA-N 0 3 384.546 -0.137 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000422261196 1072434892 /nfs/dbraw/zinc/43/48/92/1072434892.db2.gz OVSHIGRZPYCWQR-MAUKXSAKSA-N 0 3 384.546 -0.137 20 0 GBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000422261197 1072434826 /nfs/dbraw/zinc/43/48/26/1072434826.db2.gz OVSHIGRZPYCWQR-QAPCUYQASA-N 0 3 384.546 -0.137 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000422261198 1072434807 /nfs/dbraw/zinc/43/48/07/1072434807.db2.gz OVSHIGRZPYCWQR-YJBOKZPZSA-N 0 3 384.546 -0.137 20 0 GBADHN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422293535 1072436470 /nfs/dbraw/zinc/43/64/70/1072436470.db2.gz LFMYOXQKCQOLJU-INIZCTEOSA-N 0 3 375.473 -0.249 20 0 GBADHN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422293537 1072437157 /nfs/dbraw/zinc/43/71/57/1072437157.db2.gz LFMYOXQKCQOLJU-MRXNPFEDSA-N 0 3 375.473 -0.249 20 0 GBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000422293749 1072436794 /nfs/dbraw/zinc/43/67/94/1072436794.db2.gz ATPPJWRFCINNHK-HNNXBMFYSA-N 0 3 385.505 -0.010 20 0 GBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000422293750 1072437114 /nfs/dbraw/zinc/43/71/14/1072437114.db2.gz ATPPJWRFCINNHK-OAHLLOKOSA-N 0 3 385.505 -0.010 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000422294631 1072437003 /nfs/dbraw/zinc/43/70/03/1072437003.db2.gz MTPWEAUEBCXBBH-AWEZNQCLSA-N 0 3 384.521 -0.041 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000422294634 1072436818 /nfs/dbraw/zinc/43/68/18/1072436818.db2.gz MTPWEAUEBCXBBH-CQSZACIVSA-N 0 3 384.521 -0.041 20 0 GBADHN C[C@]1(CNC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CCCN1Cc1ccccc1 ZINC000422295659 1072436754 /nfs/dbraw/zinc/43/67/54/1072436754.db2.gz FPMYBTIJKBJHFI-ABSDTBQOSA-N 0 3 375.469 -0.031 20 0 GBADHN C[C@]1(CNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CCCN1Cc1ccccc1 ZINC000422295661 1072436497 /nfs/dbraw/zinc/43/64/97/1072436497.db2.gz FPMYBTIJKBJHFI-FUHIMQAGSA-N 0 3 375.469 -0.031 20 0 GBADHN C[C@]1(CNC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CCCN1Cc1ccccc1 ZINC000422295663 1072436582 /nfs/dbraw/zinc/43/65/82/1072436582.db2.gz FPMYBTIJKBJHFI-MBOZVWFJSA-N 0 3 375.469 -0.031 20 0 GBADHN C[C@]1(CNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CCCN1Cc1ccccc1 ZINC000422295664 1072437096 /nfs/dbraw/zinc/43/70/96/1072437096.db2.gz FPMYBTIJKBJHFI-SQGPQFPESA-N 0 3 375.469 -0.031 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422296579 1072437873 /nfs/dbraw/zinc/43/78/73/1072437873.db2.gz PAIYSOUXAZZBHY-CABCVRRESA-N 0 3 398.504 -0.956 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422296580 1072437754 /nfs/dbraw/zinc/43/77/54/1072437754.db2.gz PAIYSOUXAZZBHY-GJZGRUSLSA-N 0 3 398.504 -0.956 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422296581 1072437831 /nfs/dbraw/zinc/43/78/31/1072437831.db2.gz PAIYSOUXAZZBHY-HUUCEWRRSA-N 0 3 398.504 -0.956 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422296582 1072438004 /nfs/dbraw/zinc/43/80/04/1072438004.db2.gz PAIYSOUXAZZBHY-LSDHHAIUSA-N 0 3 398.504 -0.956 20 0 GBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422297815 530355884 /nfs/dbraw/zinc/35/58/84/530355884.db2.gz QOUCCTZYGYXWEG-AWEZNQCLSA-N 0 3 376.523 -0.285 20 0 GBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422297816 530355919 /nfs/dbraw/zinc/35/59/19/530355919.db2.gz QOUCCTZYGYXWEG-CQSZACIVSA-N 0 3 376.523 -0.285 20 0 GBADHN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422300382 1072437669 /nfs/dbraw/zinc/43/76/69/1072437669.db2.gz SZTXRPSTMRNBAW-BZUAXINKSA-N 0 3 382.505 -0.335 20 0 GBADHN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000422300386 1072438090 /nfs/dbraw/zinc/43/80/90/1072438090.db2.gz SZTXRPSTMRNBAW-OAGGEKHMSA-N 0 3 382.505 -0.335 20 0 GBADHN C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422300388 1072437768 /nfs/dbraw/zinc/43/77/68/1072437768.db2.gz SZTXRPSTMRNBAW-OWCLPIDISA-N 0 3 382.505 -0.335 20 0 GBADHN C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000422300389 1072437814 /nfs/dbraw/zinc/43/78/14/1072437814.db2.gz SZTXRPSTMRNBAW-PMPSAXMXSA-N 0 3 382.505 -0.335 20 0 GBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000422302055 530355631 /nfs/dbraw/zinc/35/56/31/530355631.db2.gz XQUFYOMBIPELMZ-CYBMUJFWSA-N 0 3 392.547 -0.966 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000422302056 530355789 /nfs/dbraw/zinc/35/57/89/530355789.db2.gz XQUFYOMBIPELMZ-ZDUSSCGKSA-N 0 3 392.547 -0.966 20 0 GBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000422303436 1072438710 /nfs/dbraw/zinc/43/87/10/1072438710.db2.gz HJMHCVNKWSIHNS-INIZCTEOSA-N 0 3 384.521 -0.217 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000422303438 1072439027 /nfs/dbraw/zinc/43/90/27/1072439027.db2.gz HJMHCVNKWSIHNS-MRXNPFEDSA-N 0 3 384.521 -0.217 20 0 GBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000422306986 1072440139 /nfs/dbraw/zinc/44/01/39/1072440139.db2.gz MSINQDGMESXRMK-KRWDZBQOSA-N 0 3 396.532 -0.025 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000422306987 1072440420 /nfs/dbraw/zinc/44/04/20/1072440420.db2.gz MSINQDGMESXRMK-QGZVFWFLSA-N 0 3 396.532 -0.025 20 0 GBADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000422323524 1072439710 /nfs/dbraw/zinc/43/97/10/1072439710.db2.gz GBXRDNAUSFCTTC-CABCVRRESA-N 0 3 385.530 -0.334 20 0 GBADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000422323525 1072439462 /nfs/dbraw/zinc/43/94/62/1072439462.db2.gz GBXRDNAUSFCTTC-GJZGRUSLSA-N 0 3 385.530 -0.334 20 0 GBADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000422323526 1072439675 /nfs/dbraw/zinc/43/96/75/1072439675.db2.gz GBXRDNAUSFCTTC-HUUCEWRRSA-N 0 3 385.530 -0.334 20 0 GBADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000422323527 1072439638 /nfs/dbraw/zinc/43/96/38/1072439638.db2.gz GBXRDNAUSFCTTC-LSDHHAIUSA-N 0 3 385.530 -0.334 20 0 GBADHN COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000422340623 1072442175 /nfs/dbraw/zinc/44/21/75/1072442175.db2.gz PIKSTARXHQDXKH-IBGZPJMESA-N 0 3 382.505 -0.070 20 0 GBADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000422340624 1072441982 /nfs/dbraw/zinc/44/19/82/1072441982.db2.gz PIKSTARXHQDXKH-LJQANCHMSA-N 0 3 382.505 -0.070 20 0 GBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000422344548 1072442799 /nfs/dbraw/zinc/44/27/99/1072442799.db2.gz WDKDOCUKIXNRLU-DZGCQCFKSA-N 0 3 376.461 -0.417 20 0 GBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000422344549 1072442868 /nfs/dbraw/zinc/44/28/68/1072442868.db2.gz WDKDOCUKIXNRLU-HIFRSBDPSA-N 0 3 376.461 -0.417 20 0 GBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000422344550 1072442759 /nfs/dbraw/zinc/44/27/59/1072442759.db2.gz WDKDOCUKIXNRLU-UKRRQHHQSA-N 0 3 376.461 -0.417 20 0 GBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000422344552 1072442640 /nfs/dbraw/zinc/44/26/40/1072442640.db2.gz WDKDOCUKIXNRLU-ZFWWWQNUSA-N 0 3 376.461 -0.417 20 0 GBADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000422348066 1072442705 /nfs/dbraw/zinc/44/27/05/1072442705.db2.gz DTSXXYPVKHYAKC-PBHICJAKSA-N 0 3 375.469 -0.190 20 0 GBADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000422348069 1072442685 /nfs/dbraw/zinc/44/26/85/1072442685.db2.gz DTSXXYPVKHYAKC-RHSMWYFYSA-N 0 3 375.469 -0.190 20 0 GBADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000422348071 1072442750 /nfs/dbraw/zinc/44/27/50/1072442750.db2.gz DTSXXYPVKHYAKC-WMLDXEAASA-N 0 3 375.469 -0.190 20 0 GBADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000422348073 1072442770 /nfs/dbraw/zinc/44/27/70/1072442770.db2.gz DTSXXYPVKHYAKC-YOEHRIQHSA-N 0 3 375.469 -0.190 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000422349192 1072442922 /nfs/dbraw/zinc/44/29/22/1072442922.db2.gz JRRZRRNTRLVPQL-UHFFFAOYSA-N 0 3 393.488 -0.177 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000422355224 530355822 /nfs/dbraw/zinc/35/58/22/530355822.db2.gz VNJUPFCZCWJWSO-CYBMUJFWSA-N 0 3 375.491 -0.565 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000422355225 530355797 /nfs/dbraw/zinc/35/57/97/530355797.db2.gz VNJUPFCZCWJWSO-ZDUSSCGKSA-N 0 3 375.491 -0.565 20 0 GBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000422369575 1072443827 /nfs/dbraw/zinc/44/38/27/1072443827.db2.gz RNCPBEATXHMYSO-CABCVRRESA-N 0 3 390.488 -0.027 20 0 GBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000422369576 1072443552 /nfs/dbraw/zinc/44/35/52/1072443552.db2.gz RNCPBEATXHMYSO-GJZGRUSLSA-N 0 3 390.488 -0.027 20 0 GBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000422369577 1072443524 /nfs/dbraw/zinc/44/35/24/1072443524.db2.gz RNCPBEATXHMYSO-HUUCEWRRSA-N 0 3 390.488 -0.027 20 0 GBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000422369578 1072443544 /nfs/dbraw/zinc/44/35/44/1072443544.db2.gz RNCPBEATXHMYSO-LSDHHAIUSA-N 0 3 390.488 -0.027 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000422370232 1072443756 /nfs/dbraw/zinc/44/37/56/1072443756.db2.gz SYWGGWVSEGULBW-KBPBESRZSA-N 0 3 376.461 -0.416 20 0 GBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000422370233 1072443899 /nfs/dbraw/zinc/44/38/99/1072443899.db2.gz SYWGGWVSEGULBW-KGLIPLIRSA-N 0 3 376.461 -0.416 20 0 GBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000422370234 1072443628 /nfs/dbraw/zinc/44/36/28/1072443628.db2.gz SYWGGWVSEGULBW-UONOGXRCSA-N 0 3 376.461 -0.416 20 0 GBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000422370235 1072443487 /nfs/dbraw/zinc/44/34/87/1072443487.db2.gz SYWGGWVSEGULBW-ZIAGYGMSSA-N 0 3 376.461 -0.416 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@@H]3CCN(C(C)C)C3)C2=O)n(C)n1 ZINC000422379316 1072445573 /nfs/dbraw/zinc/44/55/73/1072445573.db2.gz MLXYBLLEDZMYRT-CABCVRRESA-N 0 3 390.488 -0.109 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@H]3CCN(C(C)C)C3)C2=O)n(C)n1 ZINC000422379324 1072445233 /nfs/dbraw/zinc/44/52/33/1072445233.db2.gz MLXYBLLEDZMYRT-GJZGRUSLSA-N 0 3 390.488 -0.109 20 0 GBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@@H]3CCN(C(C)C)C3)C2=O)n(C)n1 ZINC000422379327 1072445275 /nfs/dbraw/zinc/44/52/75/1072445275.db2.gz MLXYBLLEDZMYRT-HUUCEWRRSA-N 0 3 390.488 -0.109 20 0 GBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@H]3CCN(C(C)C)C3)C2=O)n(C)n1 ZINC000422379330 1072445207 /nfs/dbraw/zinc/44/52/07/1072445207.db2.gz MLXYBLLEDZMYRT-LSDHHAIUSA-N 0 3 390.488 -0.109 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)C2=O)n(C)n1 ZINC000422379907 1072445303 /nfs/dbraw/zinc/44/53/03/1072445303.db2.gz MYUYBQDVSUFWNV-KBPBESRZSA-N 0 3 376.461 -0.497 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)C2=O)n(C)n1 ZINC000422379912 1072445376 /nfs/dbraw/zinc/44/53/76/1072445376.db2.gz MYUYBQDVSUFWNV-KGLIPLIRSA-N 0 3 376.461 -0.497 20 0 GBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)C2=O)n(C)n1 ZINC000422379915 1072445660 /nfs/dbraw/zinc/44/56/60/1072445660.db2.gz MYUYBQDVSUFWNV-UONOGXRCSA-N 0 3 376.461 -0.497 20 0 GBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)C2=O)n(C)n1 ZINC000422379919 1072445523 /nfs/dbraw/zinc/44/55/23/1072445523.db2.gz MYUYBQDVSUFWNV-ZIAGYGMSSA-N 0 3 376.461 -0.497 20 0 GBADHN O=C(NC[C@@H]1CNC(=O)C1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000422404608 1072449700 /nfs/dbraw/zinc/44/97/00/1072449700.db2.gz XFHAWEZBPRDYML-DLBZAZTESA-N 0 3 388.468 -0.354 20 0 GBADHN O=C(NC[C@H]1CNC(=O)C1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000422404610 1072449790 /nfs/dbraw/zinc/44/97/90/1072449790.db2.gz XFHAWEZBPRDYML-IAGOWNOFSA-N 0 3 388.468 -0.354 20 0 GBADHN O=C(NC[C@@H]1CNC(=O)C1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000422404612 1072449661 /nfs/dbraw/zinc/44/96/61/1072449661.db2.gz XFHAWEZBPRDYML-IRXDYDNUSA-N 0 3 388.468 -0.354 20 0 GBADHN O=C(NC[C@H]1CNC(=O)C1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000422404613 1072449582 /nfs/dbraw/zinc/44/95/82/1072449582.db2.gz XFHAWEZBPRDYML-SJORKVTESA-N 0 3 388.468 -0.354 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000422412241 1072449335 /nfs/dbraw/zinc/44/93/35/1072449335.db2.gz IVVNSKYQFHZHGN-CABCVRRESA-N 0 3 382.505 -0.467 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000422412242 1072449390 /nfs/dbraw/zinc/44/93/90/1072449390.db2.gz IVVNSKYQFHZHGN-GJZGRUSLSA-N 0 3 382.505 -0.467 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000422412243 1072449456 /nfs/dbraw/zinc/44/94/56/1072449456.db2.gz IVVNSKYQFHZHGN-HUUCEWRRSA-N 0 3 382.505 -0.467 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000422412244 1072449533 /nfs/dbraw/zinc/44/95/33/1072449533.db2.gz IVVNSKYQFHZHGN-LSDHHAIUSA-N 0 3 382.505 -0.467 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000422425777 1072448439 /nfs/dbraw/zinc/44/84/39/1072448439.db2.gz OJMBFCQWUHIUHO-PBHICJAKSA-N 0 3 382.505 -0.609 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000422425779 1072448515 /nfs/dbraw/zinc/44/85/15/1072448515.db2.gz OJMBFCQWUHIUHO-RHSMWYFYSA-N 0 3 382.505 -0.609 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000422425780 1072448736 /nfs/dbraw/zinc/44/87/36/1072448736.db2.gz OJMBFCQWUHIUHO-WMLDXEAASA-N 0 3 382.505 -0.609 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000422425782 1072448613 /nfs/dbraw/zinc/44/86/13/1072448613.db2.gz OJMBFCQWUHIUHO-YOEHRIQHSA-N 0 3 382.505 -0.609 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)C(C)(C)O)CC1 ZINC000422435679 1072452291 /nfs/dbraw/zinc/45/22/91/1072452291.db2.gz BZBMCQORZYUKJF-UHFFFAOYSA-N 0 3 384.521 -0.088 20 0 GBADHN CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422438572 1072452375 /nfs/dbraw/zinc/45/23/75/1072452375.db2.gz KMIQLTYPSJIYMD-UHFFFAOYSA-N 0 3 382.505 -0.334 20 0 GBADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000422441028 1072450514 /nfs/dbraw/zinc/45/05/14/1072450514.db2.gz JMLKHBBEDBHIHD-BZUAXINKSA-N 0 3 380.489 -0.175 20 0 GBADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000422441030 1072450305 /nfs/dbraw/zinc/45/03/05/1072450305.db2.gz JMLKHBBEDBHIHD-OWCLPIDISA-N 0 3 380.489 -0.175 20 0 GBADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422441248 1072450195 /nfs/dbraw/zinc/45/01/95/1072450195.db2.gz KSZCCMWBHAUBQY-HZPDHXFCSA-N 0 3 380.489 -0.173 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)C(C)(C)O)CC1 ZINC000422442279 1072450601 /nfs/dbraw/zinc/45/06/01/1072450601.db2.gz URYZNZNYOIMMCM-AWEZNQCLSA-N 0 3 382.505 -0.335 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)C(C)(C)O)CC1 ZINC000422442282 1072450370 /nfs/dbraw/zinc/45/03/70/1072450370.db2.gz URYZNZNYOIMMCM-CQSZACIVSA-N 0 3 382.505 -0.335 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ncccc2OC)CC1 ZINC000422449409 1072450206 /nfs/dbraw/zinc/45/02/06/1072450206.db2.gz FFFNIDCMYHBOLB-UHFFFAOYSA-N 0 3 391.472 -0.281 20 0 GBADHN COc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422449858 1072450330 /nfs/dbraw/zinc/45/03/30/1072450330.db2.gz HMEVNYVFNLDJEC-UHFFFAOYSA-N 0 3 389.456 -0.527 20 0 GBADHN COc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000422450059 1072451230 /nfs/dbraw/zinc/45/12/30/1072451230.db2.gz HVDPUTGNTHGGHO-HNNXBMFYSA-N 0 3 389.456 -0.529 20 0 GBADHN COc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000422450062 1072451195 /nfs/dbraw/zinc/45/11/95/1072451195.db2.gz HVDPUTGNTHGGHO-OAHLLOKOSA-N 0 3 389.456 -0.529 20 0 GBADHN Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1 ZINC000422451392 1072451170 /nfs/dbraw/zinc/45/11/70/1072451170.db2.gz DIUYCTHHIPFAGU-UHFFFAOYSA-N 0 3 387.484 -0.185 20 0 GBADHN Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1 ZINC000422461765 1072454135 /nfs/dbraw/zinc/45/41/35/1072454135.db2.gz DZPZSSXZJXQTPA-KRWDZBQOSA-N 0 3 387.484 -0.186 20 0 GBADHN Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc1 ZINC000422461766 1072454696 /nfs/dbraw/zinc/45/46/96/1072454696.db2.gz DZPZSSXZJXQTPA-QGZVFWFLSA-N 0 3 387.484 -0.186 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cnc(C)cn2)CC1 ZINC000422464034 1072454750 /nfs/dbraw/zinc/45/47/50/1072454750.db2.gz LLCPVFBJVUQHCT-UHFFFAOYSA-N 0 3 390.488 -0.544 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000422476558 1072453898 /nfs/dbraw/zinc/45/38/98/1072453898.db2.gz VSGADZBOBYFONS-UHFFFAOYSA-N 0 3 396.532 -0.073 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccn(C)n2)CC1 ZINC000422484060 1072457304 /nfs/dbraw/zinc/45/73/04/1072457304.db2.gz BRJXFTYCAVJCSI-AWEZNQCLSA-N 0 3 378.477 -0.390 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccn(C)n2)CC1 ZINC000422484061 1072457247 /nfs/dbraw/zinc/45/72/47/1072457247.db2.gz BRJXFTYCAVJCSI-CQSZACIVSA-N 0 3 378.477 -0.390 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccn(C)n1 ZINC000422489904 1072457967 /nfs/dbraw/zinc/45/79/67/1072457967.db2.gz MGRXDHULWAESPI-AWEZNQCLSA-N 0 3 376.461 -0.636 20 0 GBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccn(C)n1 ZINC000422489905 1072458323 /nfs/dbraw/zinc/45/83/23/1072458323.db2.gz MGRXDHULWAESPI-CQSZACIVSA-N 0 3 376.461 -0.636 20 0 GBADHN CCn1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000422494410 1072455687 /nfs/dbraw/zinc/45/56/87/1072455687.db2.gz MLVBFTRBRUVWOG-HNNXBMFYSA-N 0 3 376.461 -0.716 20 0 GBADHN CCn1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000422494411 1072455667 /nfs/dbraw/zinc/45/56/67/1072455667.db2.gz MLVBFTRBRUVWOG-OAHLLOKOSA-N 0 3 376.461 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DBZMZOBJVSWSPV-HZPDHXFCSA-N 0 3 377.489 -0.896 20 0 GBADHN CN(C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)[C@H]1CCN(C2CC2)C1 ZINC000423266501 1072509600 /nfs/dbraw/zinc/50/96/00/1072509600.db2.gz DBZMZOBJVSWSPV-JKSUJKDBSA-N 0 3 377.489 -0.896 20 0 GBADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423355596 1072518349 /nfs/dbraw/zinc/51/83/49/1072518349.db2.gz IIWDPQPANDEQOJ-CVEARBPZSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423355597 1072518027 /nfs/dbraw/zinc/51/80/27/1072518027.db2.gz IIWDPQPANDEQOJ-HOTGVXAUSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423355598 1072518176 /nfs/dbraw/zinc/51/81/76/1072518176.db2.gz IIWDPQPANDEQOJ-HZPDHXFCSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423355599 1072517797 /nfs/dbraw/zinc/51/77/97/1072517797.db2.gz IIWDPQPANDEQOJ-JKSUJKDBSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CCN1C ZINC000423390370 1072520631 /nfs/dbraw/zinc/52/06/31/1072520631.db2.gz VVLAAZRWPLCDDI-DLBZAZTESA-N 0 3 393.532 -0.545 20 0 GBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CCN1C ZINC000423390371 1072521368 /nfs/dbraw/zinc/52/13/68/1072521368.db2.gz VVLAAZRWPLCDDI-IAGOWNOFSA-N 0 3 393.532 -0.545 20 0 GBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CCN1C ZINC000423390372 1072521592 /nfs/dbraw/zinc/52/15/92/1072521592.db2.gz VVLAAZRWPLCDDI-IRXDYDNUSA-N 0 3 393.532 -0.545 20 0 GBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CCN1C ZINC000423390373 1072521253 /nfs/dbraw/zinc/52/12/53/1072521253.db2.gz VVLAAZRWPLCDDI-SJORKVTESA-N 0 3 393.532 -0.545 20 0 GBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCN1C ZINC000423393022 1072521513 /nfs/dbraw/zinc/52/15/13/1072521513.db2.gz YAVISLGSBAMATB-CVEARBPZSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCN1C ZINC000423393023 1072521005 /nfs/dbraw/zinc/52/10/05/1072521005.db2.gz YAVISLGSBAMATB-HOTGVXAUSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCN1C ZINC000423393024 1072520752 /nfs/dbraw/zinc/52/07/52/1072520752.db2.gz YAVISLGSBAMATB-HZPDHXFCSA-N 0 3 377.493 -0.301 20 0 GBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCN1C ZINC000423393025 1072521484 /nfs/dbraw/zinc/52/14/84/1072521484.db2.gz YAVISLGSBAMATB-JKSUJKDBSA-N 0 3 377.493 -0.301 20 0 GBADHN CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[C@@H]1C ZINC000423403061 1072522396 /nfs/dbraw/zinc/52/23/96/1072522396.db2.gz XAWWICVJJDIPIG-DZKIICNBSA-N 0 3 377.493 -0.159 20 0 GBADHN CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[C@H]1C ZINC000423403074 1072522050 /nfs/dbraw/zinc/52/20/50/1072522050.db2.gz XAWWICVJJDIPIG-IJEWVQPXSA-N 0 3 377.493 -0.159 20 0 GBADHN CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[C@@H]1C ZINC000423403077 1072522127 /nfs/dbraw/zinc/52/21/27/1072522127.db2.gz XAWWICVJJDIPIG-OFQRWUPVSA-N 0 3 377.493 -0.159 20 0 GBADHN CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[C@H]1C ZINC000423403079 1072523248 /nfs/dbraw/zinc/52/32/48/1072523248.db2.gz XAWWICVJJDIPIG-YCPHGPKFSA-N 0 3 377.493 -0.159 20 0 GBADHN CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423421754 1072522237 /nfs/dbraw/zinc/52/22/37/1072522237.db2.gz KGMGVSMPTCWKMC-HRCADAONSA-N 0 3 379.482 -0.025 20 0 GBADHN CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423421758 1072522014 /nfs/dbraw/zinc/52/20/14/1072522014.db2.gz KGMGVSMPTCWKMC-OWCLPIDISA-N 0 3 379.482 -0.025 20 0 GBADHN CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000423437566 1072525329 /nfs/dbraw/zinc/52/53/29/1072525329.db2.gz UJKDRWNHAUDGCV-HNNXBMFYSA-N 0 3 391.476 -0.773 20 0 GBADHN CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000423437575 1072524895 /nfs/dbraw/zinc/52/48/95/1072524895.db2.gz UJKDRWNHAUDGCV-OAHLLOKOSA-N 0 3 391.476 -0.773 20 0 GBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423451160 1072524332 /nfs/dbraw/zinc/52/43/32/1072524332.db2.gz ICFRZPAJGJAEDC-CABCVRRESA-N 0 3 391.476 -0.630 20 0 GBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423451165 1072523901 /nfs/dbraw/zinc/52/39/01/1072523901.db2.gz ICFRZPAJGJAEDC-GJZGRUSLSA-N 0 3 391.476 -0.630 20 0 GBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423451167 1072523799 /nfs/dbraw/zinc/52/37/99/1072523799.db2.gz ICFRZPAJGJAEDC-HUUCEWRRSA-N 0 3 391.476 -0.630 20 0 GBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423451169 1072523844 /nfs/dbraw/zinc/52/38/44/1072523844.db2.gz ICFRZPAJGJAEDC-LSDHHAIUSA-N 0 3 391.476 -0.630 20 0 GBADHN C[C@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000423458418 1072526213 /nfs/dbraw/zinc/52/62/13/1072526213.db2.gz JVFGFQGOYWTQOR-HOTGVXAUSA-N 0 3 382.505 -0.465 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNCC3)CC2)C[C@@H](C)O1 ZINC000423458419 1072525838 /nfs/dbraw/zinc/52/58/38/1072525838.db2.gz JVFGFQGOYWTQOR-HZPDHXFCSA-N 0 3 382.505 -0.465 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000423458420 1072526238 /nfs/dbraw/zinc/52/62/38/1072526238.db2.gz JVFGFQGOYWTQOR-IYBDPMFKSA-N 0 3 382.505 -0.465 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)CCN1 ZINC000423461171 1072526151 /nfs/dbraw/zinc/52/61/51/1072526151.db2.gz NMPXYKCBMRINSU-BRWVUGGUSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCN[C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000423461173 1072525932 /nfs/dbraw/zinc/52/59/32/1072525932.db2.gz NMPXYKCBMRINSU-GVDBMIGSSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)CCN1 ZINC000423461174 1072525684 /nfs/dbraw/zinc/52/56/84/1072525684.db2.gz NMPXYKCBMRINSU-IKGGRYGDSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)CCN1 ZINC000423461175 1072526065 /nfs/dbraw/zinc/52/60/65/1072526065.db2.gz NMPXYKCBMRINSU-ULQDDVLXSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCN[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000423461176 1072525822 /nfs/dbraw/zinc/52/58/22/1072525822.db2.gz NMPXYKCBMRINSU-YESZJQIVSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCN1 ZINC000423461177 1072526013 /nfs/dbraw/zinc/52/60/13/1072526013.db2.gz NMPXYKCBMRINSU-ZACQAIPSSA-N 0 3 396.532 -0.077 20 0 GBADHN O=C(C(=O)N1CCCNCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423601261 1072543108 /nfs/dbraw/zinc/54/31/08/1072543108.db2.gz BWYQYMIMDVANLR-GOSISDBHSA-N 0 3 399.495 -0.242 20 0 GBADHN O=C(C(=O)N1CCCNCC1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423601262 1072542574 /nfs/dbraw/zinc/54/25/74/1072542574.db2.gz BWYQYMIMDVANLR-SFHVURJKSA-N 0 3 399.495 -0.242 20 0 GBADHN Nc1nc(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)nc2ccccc12 ZINC000423603060 1072542618 /nfs/dbraw/zinc/54/26/18/1072542618.db2.gz DNNINCBPXOUXKN-UHFFFAOYSA-N 0 3 397.483 -0.322 20 0 GBADHN O=C(C(=O)N1CCCNCC1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000423603842 1072542925 /nfs/dbraw/zinc/54/29/25/1072542925.db2.gz FNHSESPJJNRSKD-UHFFFAOYSA-N 0 3 380.411 -0.079 20 0 GBADHN O=C(CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)Nc1ccccc1F ZINC000423606507 1072544400 /nfs/dbraw/zinc/54/44/00/1072544400.db2.gz ILESXJMGTAFOAK-UHFFFAOYSA-N 0 3 391.447 -0.270 20 0 GBADHN O=C(CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)Nc1ccc(F)cc1 ZINC000423606524 1072544332 /nfs/dbraw/zinc/54/43/32/1072544332.db2.gz IMYHWECDZOPLAW-UHFFFAOYSA-N 0 3 391.447 -0.270 20 0 GBADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423609256 1072545123 /nfs/dbraw/zinc/54/51/23/1072545123.db2.gz LCUBHJOEVYUAGQ-UHFFFAOYSA-N 0 3 392.431 -0.303 20 0 GBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423609801 1072545514 /nfs/dbraw/zinc/54/55/14/1072545514.db2.gz LPFSLRYBJSSSJT-HNNXBMFYSA-N 0 3 379.505 -0.600 20 0 GBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423609802 1072545486 /nfs/dbraw/zinc/54/54/86/1072545486.db2.gz LPFSLRYBJSSSJT-OAHLLOKOSA-N 0 3 379.505 -0.600 20 0 GBADHN O=C(CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)NCc1ccccc1 ZINC000423609869 1072545561 /nfs/dbraw/zinc/54/55/61/1072545561.db2.gz LYYRKBYREJOTJM-UHFFFAOYSA-N 0 3 387.484 -0.731 20 0 GBADHN Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cc1 ZINC000423611323 1072545639 /nfs/dbraw/zinc/54/56/39/1072545639.db2.gz NTWUZFZBSJISRO-UHFFFAOYSA-N 0 3 388.468 -0.133 20 0 GBADHN CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)s1 ZINC000423612240 1072546469 /nfs/dbraw/zinc/54/64/69/1072546469.db2.gz OXRIVNKFTYRTBI-UHFFFAOYSA-N 0 3 395.485 -0.210 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000423612345 1072546650 /nfs/dbraw/zinc/54/66/50/1072546650.db2.gz TYPMBLRDFBJIKC-BRWVUGGUSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000423612348 1072546696 /nfs/dbraw/zinc/54/66/96/1072546696.db2.gz TYPMBLRDFBJIKC-GVDBMIGSSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423612350 1072545951 /nfs/dbraw/zinc/54/59/51/1072545951.db2.gz TYPMBLRDFBJIKC-YESZJQIVSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNC[C@H]3C)CC2)C[C@H](C)O1 ZINC000423612354 1072546069 /nfs/dbraw/zinc/54/60/69/1072546069.db2.gz TYPMBLRDFBJIKC-ZACQAIPSSA-N 0 3 396.532 -0.077 20 0 GBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)nc1 ZINC000423612892 1072545532 /nfs/dbraw/zinc/54/55/32/1072545532.db2.gz PXGCDCYLQQOPKC-UHFFFAOYSA-N 0 3 389.456 -0.271 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CCCNCC2)cc1 ZINC000423613023 1072544842 /nfs/dbraw/zinc/54/48/42/1072544842.db2.gz QPLVKLSTDXJESH-UHFFFAOYSA-N 0 3 382.486 -0.446 20 0 GBADHN O=C(C(=O)N1CCCNCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423614551 1072546488 /nfs/dbraw/zinc/54/64/88/1072546488.db2.gz SSGPIUDKTYCVOI-UHFFFAOYSA-N 0 3 394.497 -0.518 20 0 GBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c1 ZINC000423615155 1072546049 /nfs/dbraw/zinc/54/60/49/1072546049.db2.gz ULEVWDROBXTTCH-UHFFFAOYSA-N 0 3 388.468 -0.270 20 0 GBADHN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C1 ZINC000423615563 1072546556 /nfs/dbraw/zinc/54/65/56/1072546556.db2.gz UUNWDGLEUKRHEV-DLBZAZTESA-N 0 3 393.532 -0.353 20 0 GBADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C1 ZINC000423615564 1072546721 /nfs/dbraw/zinc/54/67/21/1072546721.db2.gz UUNWDGLEUKRHEV-IAGOWNOFSA-N 0 3 393.532 -0.353 20 0 GBADHN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C1 ZINC000423615565 1072546375 /nfs/dbraw/zinc/54/63/75/1072546375.db2.gz UUNWDGLEUKRHEV-IRXDYDNUSA-N 0 3 393.532 -0.353 20 0 GBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C1 ZINC000423615566 1072546164 /nfs/dbraw/zinc/54/61/64/1072546164.db2.gz UUNWDGLEUKRHEV-SJORKVTESA-N 0 3 393.532 -0.353 20 0 GBADHN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)CC1 ZINC000423616588 1072546295 /nfs/dbraw/zinc/54/62/95/1072546295.db2.gz WILUHVCZBKBYCS-UHFFFAOYSA-N 0 3 393.532 -0.353 20 0 GBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cc1 ZINC000423617161 1072547276 /nfs/dbraw/zinc/54/72/76/1072547276.db2.gz XBUZMOSHJXOCDS-UHFFFAOYSA-N 0 3 394.497 -0.350 20 0 GBADHN O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423618413 1072547836 /nfs/dbraw/zinc/54/78/36/1072547836.db2.gz YUKDTVYKNKAREP-UHFFFAOYSA-N 0 3 376.432 -0.139 20 0 GBADHN O=C(CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)N1CCc2ccccc21 ZINC000423618421 1072547542 /nfs/dbraw/zinc/54/75/42/1072547542.db2.gz YVYUDHAWBQENME-UHFFFAOYSA-N 0 3 399.495 -0.458 20 0 GBADHN C[C@H]1CN(CCOC2CCN(C(=O)C(=O)N3CCNC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423646166 1072551816 /nfs/dbraw/zinc/55/18/16/1072551816.db2.gz TYPMBLRDFBJIKC-ULQDDVLXSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1CNCCN1C(=O)C(=O)N1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423652371 1072554220 /nfs/dbraw/zinc/55/42/20/1072554220.db2.gz TYPMBLRDFBJIKC-IKGGRYGDSA-N 0 3 396.532 -0.077 20 0 GBADHN CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000423703700 1072571514 /nfs/dbraw/zinc/57/15/14/1072571514.db2.gz CQCRMHRAEQCVMU-GDBMZVCRSA-N 0 3 377.493 -0.157 20 0 GBADHN CC[C@H](C)N1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000423703701 1072571389 /nfs/dbraw/zinc/57/13/89/1072571389.db2.gz CQCRMHRAEQCVMU-GOEBONIOSA-N 0 3 377.493 -0.157 20 0 GBADHN CC[C@H](C)N1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000423703702 1072571281 /nfs/dbraw/zinc/57/12/81/1072571281.db2.gz CQCRMHRAEQCVMU-HOCLYGCPSA-N 0 3 377.493 -0.157 20 0 GBADHN CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000423703704 1072571025 /nfs/dbraw/zinc/57/10/25/1072571025.db2.gz CQCRMHRAEQCVMU-ZBFHGGJFSA-N 0 3 377.493 -0.157 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)cs1 ZINC000423715869 530356393 /nfs/dbraw/zinc/35/63/93/530356393.db2.gz HVYCFCIWPOVJSG-JTQLQIEISA-N 0 3 389.503 -0.910 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)cs1 ZINC000423715875 530356379 /nfs/dbraw/zinc/35/63/79/530356379.db2.gz HVYCFCIWPOVJSG-SNVBAGLBSA-N 0 3 389.503 -0.910 20 0 GBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423746448 1072572436 /nfs/dbraw/zinc/57/24/36/1072572436.db2.gz PJPMYFQMZHJKBB-INIZCTEOSA-N 0 3 379.505 -0.647 20 0 GBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423746449 1072572028 /nfs/dbraw/zinc/57/20/28/1072572028.db2.gz PJPMYFQMZHJKBB-MRXNPFEDSA-N 0 3 379.505 -0.647 20 0 GBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000423754274 1072573460 /nfs/dbraw/zinc/57/34/60/1072573460.db2.gz ZGPXKRRRMRPCCZ-INIZCTEOSA-N 0 3 381.521 -0.401 20 0 GBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000423754276 1072573139 /nfs/dbraw/zinc/57/31/39/1072573139.db2.gz ZGPXKRRRMRPCCZ-MRXNPFEDSA-N 0 3 381.521 -0.401 20 0 GBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CNCCO2)cc1 ZINC000423983537 1072579058 /nfs/dbraw/zinc/57/90/58/1072579058.db2.gz AEXFGXALKVBILZ-CYBMUJFWSA-N 0 3 385.442 -0.754 20 0 GBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000423983540 1072578528 /nfs/dbraw/zinc/57/85/28/1072578528.db2.gz AEXFGXALKVBILZ-ZDUSSCGKSA-N 0 3 385.442 -0.754 20 0 GBADHN O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC[C@H]1CNCCO1 ZINC000423983545 1072578981 /nfs/dbraw/zinc/57/89/81/1072578981.db2.gz AFVXIOKUAPXLAD-LLVKDONJSA-N 0 3 397.375 -0.032 20 0 GBADHN O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC[C@@H]1CNCCO1 ZINC000423983548 1072578280 /nfs/dbraw/zinc/57/82/80/1072578280.db2.gz AFVXIOKUAPXLAD-NSHDSACASA-N 0 3 397.375 -0.032 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H]1CNCCO1 ZINC000423986293 1072579030 /nfs/dbraw/zinc/57/90/30/1072579030.db2.gz FWLUFXUAHSMLMH-CHWSQXEVSA-N 0 3 399.469 -0.381 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H]1CNCCO1 ZINC000423986295 1072579103 /nfs/dbraw/zinc/57/91/03/1072579103.db2.gz FWLUFXUAHSMLMH-OLZOCXBDSA-N 0 3 399.469 -0.381 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H]1CNCCO1 ZINC000423986297 1072578454 /nfs/dbraw/zinc/57/84/54/1072578454.db2.gz FWLUFXUAHSMLMH-QWHCGFSZSA-N 0 3 399.469 -0.381 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H]1CNCCO1 ZINC000423986299 1072578691 /nfs/dbraw/zinc/57/86/91/1072578691.db2.gz FWLUFXUAHSMLMH-STQMWFEESA-N 0 3 399.469 -0.381 20 0 GBADHN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@H]1CNCCO1 ZINC000423986708 1072579584 /nfs/dbraw/zinc/57/95/84/1072579584.db2.gz GLRHLDNQQCZZMU-CYBMUJFWSA-N 0 3 399.469 -0.379 20 0 GBADHN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@@H]1CNCCO1 ZINC000423986710 1072579828 /nfs/dbraw/zinc/57/98/28/1072579828.db2.gz GLRHLDNQQCZZMU-ZDUSSCGKSA-N 0 3 399.469 -0.379 20 0 GBADHN COC[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]C1 ZINC000423991923 530356597 /nfs/dbraw/zinc/35/65/97/530356597.db2.gz JKDMXHXGGQPVFT-HNNXBMFYSA-N 0 3 377.413 -0.015 20 0 GBADHN COC[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]C1 ZINC000423991924 530356960 /nfs/dbraw/zinc/35/69/60/530356960.db2.gz JKDMXHXGGQPVFT-OAHLLOKOSA-N 0 3 377.413 -0.015 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000423996338 1072578626 /nfs/dbraw/zinc/57/86/26/1072578626.db2.gz WNTCQGZKTJPNAX-CYBMUJFWSA-N 0 3 386.474 -0.013 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000423996339 1072578867 /nfs/dbraw/zinc/57/88/67/1072578867.db2.gz WNTCQGZKTJPNAX-ZDUSSCGKSA-N 0 3 386.474 -0.013 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229962 1072586995 /nfs/dbraw/zinc/58/69/95/1072586995.db2.gz DRLDJQNDWGOLBQ-DDTOSNHZSA-N 0 3 396.473 -0.355 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229967 1072587254 /nfs/dbraw/zinc/58/72/54/1072587254.db2.gz DRLDJQNDWGOLBQ-LEWSCRJBSA-N 0 3 396.473 -0.355 20 0 GBADHN CCCCN(C(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000424301631 1072587660 /nfs/dbraw/zinc/58/76/60/1072587660.db2.gz XWRUMKUWXWLOSV-IXDOHACOSA-N 0 3 397.545 -0.038 20 0 GBADHN CCCCN(C(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H]1CCS(=O)(=O)C1 ZINC000424301635 1072588079 /nfs/dbraw/zinc/58/80/79/1072588079.db2.gz XWRUMKUWXWLOSV-YESZJQIVSA-N 0 3 397.545 -0.038 20 0 GBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)nn1 ZINC000424532346 1072602235 /nfs/dbraw/zinc/60/22/35/1072602235.db2.gz OTAFZYCHPITGLB-FVQBIDKESA-N 0 3 394.476 -0.415 20 0 GBADHN CCN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H](C)CS(=O)(=O)CC ZINC000424539919 1072603887 /nfs/dbraw/zinc/60/38/87/1072603887.db2.gz FSUKIEYPYKODGK-AEGPPILISA-N 0 3 399.517 -0.655 20 0 GBADHN CCN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H](C)CS(=O)(=O)CC ZINC000424539922 1072604001 /nfs/dbraw/zinc/60/40/01/1072604001.db2.gz FSUKIEYPYKODGK-VHDGCEQUSA-N 0 3 399.517 -0.655 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551981 1072606039 /nfs/dbraw/zinc/60/60/39/1072606039.db2.gz XHLQFQIDTKLSPR-TVYUQYBPSA-N 0 3 383.351 -0.580 20 0 GBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551982 1072605816 /nfs/dbraw/zinc/60/58/16/1072605816.db2.gz XHLQFQIDTKLSPR-WQAKAFBOSA-N 0 3 383.351 -0.580 20 0 GBADHN O=C(CCCc1ccccc1)NCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000424552747 1072606530 /nfs/dbraw/zinc/60/65/30/1072606530.db2.gz YIKZUCBCPGFNTM-INIZCTEOSA-N 0 3 376.457 -0.654 20 0 GBADHN O=C(CCCc1ccccc1)NCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000424552748 1072606812 /nfs/dbraw/zinc/60/68/12/1072606812.db2.gz YIKZUCBCPGFNTM-MRXNPFEDSA-N 0 3 376.457 -0.654 20 0 GBADHN CCC1(CC)CN(c2nc(NCCO)nc(NC(C)C)n2)CCS1(=O)=O ZINC000425239961 1072651418 /nfs/dbraw/zinc/65/14/18/1072651418.db2.gz LJGRCKDDGUTTOG-UHFFFAOYSA-N 0 3 386.522 -0.267 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCN(c3cccnc3)C2=O)n1 ZINC000425249705 1072652958 /nfs/dbraw/zinc/65/29/58/1072652958.db2.gz UPQKDLFJPPDORZ-AWEZNQCLSA-N 0 3 386.460 -0.636 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCN(c3cccnc3)C2=O)n1 ZINC000425249706 1072653393 /nfs/dbraw/zinc/65/33/93/1072653393.db2.gz UPQKDLFJPPDORZ-CQSZACIVSA-N 0 3 386.460 -0.636 20 0 GBADHN CCn1cc([C@H]2OCCC[C@@H]2Nc2nc(NCCO)nc(NC(C)C)n2)cn1 ZINC000425260725 1072656895 /nfs/dbraw/zinc/65/68/95/1072656895.db2.gz VLWZGEOQNXZTFF-LSDHHAIUSA-N 0 3 390.492 -0.090 20 0 GBADHN COC(=O)c1cnc([C@@H](C)Nc2nc(NCCO)nc(NC(C)C)n2)s1 ZINC000425275100 1072665302 /nfs/dbraw/zinc/66/53/02/1072665302.db2.gz SRJFBJUYURLOGA-SECBINFHSA-N 0 3 381.462 -0.222 20 0 GBADHN COC(=O)c1cnc([C@H](C)Nc2nc(NCCO)nc(NC(C)C)n2)s1 ZINC000425275102 1072665296 /nfs/dbraw/zinc/66/52/96/1072665296.db2.gz SRJFBJUYURLOGA-VIFPVBQESA-N 0 3 381.462 -0.222 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)C2CN(CC(F)(F)F)C2)CC1=O ZINC000425306254 1072676434 /nfs/dbraw/zinc/67/64/34/1072676434.db2.gz ABRXYTZXWQJMLW-CYBMUJFWSA-N 0 3 380.411 -0.224 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2CN(CC(F)(F)F)C2)CC1=O ZINC000425306262 1072676710 /nfs/dbraw/zinc/67/67/10/1072676710.db2.gz ABRXYTZXWQJMLW-ZDUSSCGKSA-N 0 3 380.411 -0.224 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc3c(cn2)OCCO3)CC1=O ZINC000425307024 1072677853 /nfs/dbraw/zinc/67/78/53/1072677853.db2.gz AYNGRVDJUOJHIR-CYBMUJFWSA-N 0 3 378.429 -0.238 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)CC1=O ZINC000425307025 1072677597 /nfs/dbraw/zinc/67/75/97/1072677597.db2.gz AYNGRVDJUOJHIR-ZDUSSCGKSA-N 0 3 378.429 -0.238 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)CC1=O ZINC000425309764 1072679678 /nfs/dbraw/zinc/67/96/78/1072679678.db2.gz DKNMDKDRPZUTRZ-AWEZNQCLSA-N 0 3 387.444 -0.429 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cn(-c3cccnc3)nn2)CC1=O ZINC000425309766 1072679786 /nfs/dbraw/zinc/67/97/86/1072679786.db2.gz DKNMDKDRPZUTRZ-CQSZACIVSA-N 0 3 387.444 -0.429 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C(=O)OC)ccn2)CC1=O ZINC000425310512 1072677506 /nfs/dbraw/zinc/67/75/06/1072677506.db2.gz FGFPWOHAOKFDQC-AWEZNQCLSA-N 0 3 378.429 -0.223 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C(=O)OC)ccn2)CC1=O ZINC000425310517 1072677640 /nfs/dbraw/zinc/67/76/40/1072677640.db2.gz FGFPWOHAOKFDQC-CQSZACIVSA-N 0 3 378.429 -0.223 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000425312384 1073051769 /nfs/dbraw/zinc/05/17/69/1073051769.db2.gz GYPXFDKEJKANCZ-GFCCVEGCSA-N 0 3 376.417 -0.428 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000425312387 1073051862 /nfs/dbraw/zinc/05/18/62/1073051862.db2.gz GYPXFDKEJKANCZ-LBPRGKRZSA-N 0 3 376.417 -0.428 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)CC1=O ZINC000425312852 1072678459 /nfs/dbraw/zinc/67/84/59/1072678459.db2.gz HLWCJSBVLOVHIP-INIZCTEOSA-N 0 3 376.457 -0.377 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)CC1=O ZINC000425312853 1072678674 /nfs/dbraw/zinc/67/86/74/1072678674.db2.gz HLWCJSBVLOVHIP-MRXNPFEDSA-N 0 3 376.457 -0.377 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)CC1=O ZINC000425314371 1072678690 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1072684659 /nfs/dbraw/zinc/68/46/59/1072684659.db2.gz YHSLRTFBPOYWON-ZDUSSCGKSA-N 0 3 380.445 -0.279 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC000425326628 1072682849 /nfs/dbraw/zinc/68/28/49/1072682849.db2.gz YOLHKAPSURMDIE-CABCVRRESA-N 0 3 389.518 -0.503 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC000425326629 1072682696 /nfs/dbraw/zinc/68/26/96/1072682696.db2.gz YOLHKAPSURMDIE-GJZGRUSLSA-N 0 3 389.518 -0.503 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC000425326630 1072682466 /nfs/dbraw/zinc/68/24/66/1072682466.db2.gz YOLHKAPSURMDIE-HUUCEWRRSA-N 0 3 389.518 -0.503 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC000425326631 1072682594 /nfs/dbraw/zinc/68/25/94/1072682594.db2.gz YOLHKAPSURMDIE-LSDHHAIUSA-N 0 3 389.518 -0.503 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425370255 1072692892 /nfs/dbraw/zinc/69/28/92/1072692892.db2.gz 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380.449 0.016 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2CCCC[C@H]2CC)n1 ZINC000425739141 1072790236 /nfs/dbraw/zinc/79/02/36/1072790236.db2.gz IMDGCWUZPZDTHW-CYBMUJFWSA-N 0 3 380.449 0.160 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2CCCC[C@@H]2CC)n1 ZINC000425739144 1072790434 /nfs/dbraw/zinc/79/04/34/1072790434.db2.gz IMDGCWUZPZDTHW-ZDUSSCGKSA-N 0 3 380.449 0.160 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000425740349 1072789628 /nfs/dbraw/zinc/78/96/28/1072789628.db2.gz LZNOPYVUVUGQLW-UHFFFAOYSA-N 0 3 392.460 0.257 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)n1 ZINC000425744292 1072792235 /nfs/dbraw/zinc/79/22/35/1072792235.db2.gz QVVJCAPTUOALFA-CYBMUJFWSA-N 0 3 380.449 0.016 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)n1 ZINC000425744296 1072792017 /nfs/dbraw/zinc/79/20/17/1072792017.db2.gz QVVJCAPTUOALFA-ZDUSSCGKSA-N 0 3 380.449 0.016 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)n1 ZINC000425745408 1072793113 /nfs/dbraw/zinc/79/31/13/1072793113.db2.gz QBNNPIAOQBIGDN-BETUJISGSA-N 0 3 380.449 0.159 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)n1 ZINC000425745409 1072792992 /nfs/dbraw/zinc/79/29/92/1072792992.db2.gz QBNNPIAOQBIGDN-CHWSQXEVSA-N 0 3 380.449 0.159 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000425745410 1072792770 /nfs/dbraw/zinc/79/27/70/1072792770.db2.gz QBNNPIAOQBIGDN-STQMWFEESA-N 0 3 380.449 0.159 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000425749667 1072794960 /nfs/dbraw/zinc/79/49/60/1072794960.db2.gz WVTSGAVCLDJAFX-CYBMUJFWSA-N 0 3 378.433 -0.134 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)n1 ZINC000425749670 1072794680 /nfs/dbraw/zinc/79/46/80/1072794680.db2.gz WVTSGAVCLDJAFX-ZDUSSCGKSA-N 0 3 378.433 -0.134 20 0 GBADHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CCO1 ZINC000425757785 1072796766 /nfs/dbraw/zinc/79/67/66/1072796766.db2.gz OWYZCQJWHRAGJK-NSHDSACASA-N 0 3 377.367 0.563 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)n1 ZINC000425773109 1072800733 /nfs/dbraw/zinc/80/07/33/1072800733.db2.gz NWGDVBVJFMWJQB-UHFFFAOYSA-N 0 3 380.449 0.018 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)n1 ZINC000425773724 1072800091 /nfs/dbraw/zinc/80/00/91/1072800091.db2.gz UVIYXUYOXBETNV-AWEZNQCLSA-N 0 3 392.460 0.257 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000425773725 1072800041 /nfs/dbraw/zinc/80/00/41/1072800041.db2.gz UVIYXUYOXBETNV-CQSZACIVSA-N 0 3 392.460 0.257 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)n1 ZINC000425776704 1072802128 /nfs/dbraw/zinc/80/21/28/1072802128.db2.gz ZFAHMTNWYPBNGI-UHFFFAOYSA-N 0 3 380.449 0.113 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000425778819 1072802462 /nfs/dbraw/zinc/80/24/62/1072802462.db2.gz YBJVTPQTXJYOGB-GFCCVEGCSA-N 0 3 380.449 0.016 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000425778821 1072802615 /nfs/dbraw/zinc/80/26/15/1072802615.db2.gz YBJVTPQTXJYOGB-LBPRGKRZSA-N 0 3 380.449 0.016 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000425780847 1072803401 /nfs/dbraw/zinc/80/34/01/1072803401.db2.gz DPCQWHIGCDTJMK-BFHYXJOUSA-N 0 3 392.460 -0.032 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000425780850 1072803784 /nfs/dbraw/zinc/80/37/84/1072803784.db2.gz DPCQWHIGCDTJMK-HZSPNIEDSA-N 0 3 392.460 -0.032 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000425780853 1072803931 /nfs/dbraw/zinc/80/39/31/1072803931.db2.gz DPCQWHIGCDTJMK-MELADBBJSA-N 0 3 392.460 -0.032 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000425780856 1072804008 /nfs/dbraw/zinc/80/40/08/1072804008.db2.gz DPCQWHIGCDTJMK-MGPQQGTHSA-N 0 3 392.460 -0.032 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)n1 ZINC000425791782 1072810616 /nfs/dbraw/zinc/81/06/16/1072810616.db2.gz WHNKVVXFKOTESM-CYBMUJFWSA-N 0 3 392.460 0.113 20 0 GBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)n1 ZINC000425791783 1072810689 /nfs/dbraw/zinc/81/06/89/1072810689.db2.gz WHNKVVXFKOTESM-ZDUSSCGKSA-N 0 3 392.460 0.113 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)S(N)(=O)=O ZINC000425811069 1072818534 /nfs/dbraw/zinc/81/85/34/1072818534.db2.gz MGLRIROHWCQARX-CWRNSKLLSA-N 0 3 394.497 -0.488 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)S(N)(=O)=O ZINC000425811070 1072819736 /nfs/dbraw/zinc/81/97/36/1072819736.db2.gz MGLRIROHWCQARX-VNQPRFMTSA-N 0 3 394.497 -0.488 20 0 GBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1=O ZINC000425814377 1072820007 /nfs/dbraw/zinc/82/00/07/1072820007.db2.gz BJHXVYRFSRWKIC-DZGCQCFKSA-N 0 3 390.440 -0.098 20 0 GBADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)c2C)no1 ZINC000425817456 1072821340 /nfs/dbraw/zinc/82/13/40/1072821340.db2.gz HMTKCCDJPYFHJF-QWHCGFSZSA-N 0 3 388.432 -0.183 20 0 GBADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)[C@@H]2C1 ZINC000425817852 1072820734 /nfs/dbraw/zinc/82/07/34/1072820734.db2.gz WWYKBAUREUSNAM-DZGCQCFKSA-N 0 3 387.440 -0.607 20 0 GBADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)[C@@H]2C1 ZINC000425821279 1072823714 /nfs/dbraw/zinc/82/37/14/1072823714.db2.gz QNCKVDVSMFNWNQ-DOTOQJQBSA-N 0 3 390.488 -0.294 20 0 GBADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000425824020 1072825960 /nfs/dbraw/zinc/82/59/60/1072825960.db2.gz XRADVBNWBHCCQN-IINYFYTJSA-N 0 3 384.433 -0.036 20 0 GBADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@@H]2C1 ZINC000425824353 1072826871 /nfs/dbraw/zinc/82/68/71/1072826871.db2.gz YSWUBLSDGNFWKE-DZGCQCFKSA-N 0 3 386.456 -0.491 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)CN1CCN(C)CC1 ZINC000425864016 1072836956 /nfs/dbraw/zinc/83/69/56/1072836956.db2.gz APZITUGBOMLMFS-CVEARBPZSA-N 0 3 377.493 -0.559 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)CN1CCN(C)CC1 ZINC000425864018 1072836767 /nfs/dbraw/zinc/83/67/67/1072836767.db2.gz APZITUGBOMLMFS-HOTGVXAUSA-N 0 3 377.493 -0.559 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)CN1CCN(C)CC1 ZINC000425864021 1072837563 /nfs/dbraw/zinc/83/75/63/1072837563.db2.gz APZITUGBOMLMFS-HZPDHXFCSA-N 0 3 377.493 -0.559 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)CN1CCN(C)CC1 ZINC000425864023 1072837643 /nfs/dbraw/zinc/83/76/43/1072837643.db2.gz APZITUGBOMLMFS-JKSUJKDBSA-N 0 3 377.493 -0.559 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425865341 1072836988 /nfs/dbraw/zinc/83/69/88/1072836988.db2.gz CYMHSKUHCIKDLM-DLBZAZTESA-N 0 3 391.520 -0.169 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425865344 1072837370 /nfs/dbraw/zinc/83/73/70/1072837370.db2.gz CYMHSKUHCIKDLM-IAGOWNOFSA-N 0 3 391.520 -0.169 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425865345 1072837293 /nfs/dbraw/zinc/83/72/93/1072837293.db2.gz CYMHSKUHCIKDLM-IRXDYDNUSA-N 0 3 391.520 -0.169 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425865347 1072836821 /nfs/dbraw/zinc/83/68/21/1072836821.db2.gz CYMHSKUHCIKDLM-SJORKVTESA-N 0 3 391.520 -0.169 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2nccc(OC)n2)CC1 ZINC000425865670 1072838401 /nfs/dbraw/zinc/83/84/01/1072838401.db2.gz DOTNFVXQXGTFHS-AWEZNQCLSA-N 0 3 378.477 -0.509 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2nccc(OC)n2)CC1 ZINC000425865672 1072838586 /nfs/dbraw/zinc/83/85/86/1072838586.db2.gz DOTNFVXQXGTFHS-CQSZACIVSA-N 0 3 378.477 -0.509 20 0 GBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000425873856 1072838436 /nfs/dbraw/zinc/83/84/36/1072838436.db2.gz QNTRQQYMYNWJTG-KRWDZBQOSA-N 0 3 397.564 -0.445 20 0 GBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000425873857 1072838172 /nfs/dbraw/zinc/83/81/72/1072838172.db2.gz QNTRQQYMYNWJTG-QGZVFWFLSA-N 0 3 397.564 -0.445 20 0 GBADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1(C)C ZINC000425887562 1072846338 /nfs/dbraw/zinc/84/63/38/1072846338.db2.gz NXUBRDLGIDTFDM-HNNXBMFYSA-N 0 3 377.493 -0.416 20 0 GBADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1(C)C ZINC000425887564 1072846111 /nfs/dbraw/zinc/84/61/11/1072846111.db2.gz NXUBRDLGIDTFDM-OAHLLOKOSA-N 0 3 377.493 -0.416 20 0 GBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000425889235 1072843450 /nfs/dbraw/zinc/84/34/50/1072843450.db2.gz QEGQDMUJPWJQNW-UHFFFAOYSA-N 0 3 397.564 -0.302 20 0 GBADHN COc1ccnc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000425891836 1072846607 /nfs/dbraw/zinc/84/66/07/1072846607.db2.gz YZMNCGQBJBVDBC-CYBMUJFWSA-N 0 3 392.460 -0.840 20 0 GBADHN COc1ccnc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000425891837 1072846284 /nfs/dbraw/zinc/84/62/84/1072846284.db2.gz YZMNCGQBJBVDBC-ZDUSSCGKSA-N 0 3 392.460 -0.840 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425892052 1072845979 /nfs/dbraw/zinc/84/59/79/1072845979.db2.gz ZNZVOHFDYMCIEA-INIZCTEOSA-N 0 3 384.521 -0.217 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425892057 1073034892 /nfs/dbraw/zinc/03/48/92/1073034892.db2.gz ZNZVOHFDYMCIEA-MRXNPFEDSA-N 0 3 384.521 -0.217 20 0 GBADHN COc1ccnc(CNC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)n1 ZINC000425898108 1072847715 /nfs/dbraw/zinc/84/77/15/1072847715.db2.gz LDNMVVYIYMIWJF-UHFFFAOYSA-N 0 3 386.412 -0.146 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2nccc(OC)n2)CC1 ZINC000425898335 1072847382 /nfs/dbraw/zinc/84/73/82/1072847382.db2.gz LVJVTLDSAWMCKR-UHFFFAOYSA-N 0 3 392.460 -0.886 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)CC1 ZINC000425905222 1072851947 /nfs/dbraw/zinc/85/19/47/1072851947.db2.gz OTSGXKUFDRUJRA-AWEZNQCLSA-N 0 3 389.456 -0.277 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000425905223 1072851887 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1072892067 /nfs/dbraw/zinc/89/20/67/1072892067.db2.gz BWIIFDSDFIKSMW-KKUMJFAQSA-N 0 3 385.509 -0.375 20 0 GBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000426033453 1072892085 /nfs/dbraw/zinc/89/20/85/1072892085.db2.gz BWIIFDSDFIKSMW-ZNMIVQPWSA-N 0 3 385.509 -0.375 20 0 GBADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000426149954 1072910677 /nfs/dbraw/zinc/91/06/77/1072910677.db2.gz RWTSYYKPMAVTIJ-UHFFFAOYSA-N 0 3 381.477 -0.569 20 0 GBADHN C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[C@H](O)[C@H](C)C3)CC2)CC[C@@H]1O ZINC000426154470 1072909840 /nfs/dbraw/zinc/90/98/40/1072909840.db2.gz RLFCINZDZJIOBI-BDXSIMOUSA-N 0 3 396.532 -0.937 20 0 GBADHN C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@@H]1O ZINC000426154471 1072909399 /nfs/dbraw/zinc/90/93/99/1072909399.db2.gz RLFCINZDZJIOBI-MHORFTMASA-N 0 3 396.532 -0.937 20 0 GBADHN C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[C@H](O)[C@H](C)C3)CC2)CC[C@H]1O ZINC000426154472 1072909429 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396.536 -0.480 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000426484857 1072966795 /nfs/dbraw/zinc/96/67/95/1072966795.db2.gz VBWKQYLKWLLCHL-DLBZAZTESA-N 0 3 381.521 -0.171 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000426484860 1072966763 /nfs/dbraw/zinc/96/67/63/1072966763.db2.gz VBWKQYLKWLLCHL-IAGOWNOFSA-N 0 3 381.521 -0.171 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000426484861 1072967505 /nfs/dbraw/zinc/96/75/05/1072967505.db2.gz VBWKQYLKWLLCHL-IRXDYDNUSA-N 0 3 381.521 -0.171 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000426484862 1072967490 /nfs/dbraw/zinc/96/74/90/1072967490.db2.gz VBWKQYLKWLLCHL-SJORKVTESA-N 0 3 381.521 -0.171 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC1 ZINC000426660154 1073021328 /nfs/dbraw/zinc/02/13/28/1073021328.db2.gz MCTKWAPACVIZGF-HZPDHXFCSA-N 0 3 394.520 0.419 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC1 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1073365526 /nfs/dbraw/zinc/36/55/26/1073365526.db2.gz AMJVXIXHTCUHMO-UHFFFAOYSA-N 0 3 388.432 0.124 20 0 GBADHN COc1cnccc1N1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000432346844 1073608705 /nfs/dbraw/zinc/60/87/05/1073608705.db2.gz NCPZGWGQQPOWLE-UHFFFAOYSA-N 0 3 396.429 -0.206 20 0 GBADHN COCCCS(=O)(=O)N1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000432392722 530379529 /nfs/dbraw/zinc/37/95/29/530379529.db2.gz RYMIFOWVKYUPIV-UHFFFAOYSA-N 0 3 380.511 -0.742 20 0 GBADHN O=C(CCn1nc2ccccn2c1=O)NCCCCN1CCN(CCO)CC1 ZINC000432533013 1073668812 /nfs/dbraw/zinc/66/88/12/1073668812.db2.gz XUNXDPIURYQSSS-UHFFFAOYSA-N 0 3 390.488 -0.608 20 0 GBADHN CNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000432534668 1073669681 /nfs/dbraw/zinc/66/96/81/1073669681.db2.gz GUPOUBOXERQEPT-UHFFFAOYSA-N 0 3 398.529 -0.285 20 0 GBADHN O=C(Cn1c(=O)cnc2ccccc21)NCCCCN1CCN(CCO)CC1 ZINC000432534838 1073669820 /nfs/dbraw/zinc/66/98/20/1073669820.db2.gz HNOFQPUZKFLACQ-UHFFFAOYSA-N 0 3 387.484 -0.097 20 0 GBADHN O=C(CN1C(=O)COc2ccccc21)NCCCCN1CCN(CCO)CC1 ZINC000432537496 1073670747 /nfs/dbraw/zinc/67/07/47/1073670747.db2.gz VOWBNEYPXAEDPW-UHFFFAOYSA-N 0 3 390.484 -0.082 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)c1sccc1-n1cnnn1 ZINC000432537614 1073671903 /nfs/dbraw/zinc/67/19/03/1073671903.db2.gz ZZLUXNHROQBCCU-UHFFFAOYSA-N 0 3 379.490 -0.156 20 0 GBADHN Cc1cc(C)n2nc(C(=O)NCCCCN3CCN(CCO)CC3)nc2n1 ZINC000432538006 1073672196 /nfs/dbraw/zinc/67/21/96/1073672196.db2.gz XWOLOXKKQBRLAQ-UHFFFAOYSA-N 0 3 375.477 -0.139 20 0 GBADHN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCCCCN1CCN(CCO)CC1 ZINC000432539222 1073671859 /nfs/dbraw/zinc/67/18/59/1073671859.db2.gz UZRSHLHGOXSLID-CALCHBBNSA-N 0 3 394.516 -0.332 20 0 GBADHN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCCCN1CCN(CCO)CC1 ZINC000432539224 1073672122 /nfs/dbraw/zinc/67/21/22/1073672122.db2.gz UZRSHLHGOXSLID-IAGOWNOFSA-N 0 3 394.516 -0.332 20 0 GBADHN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCCCN1CCN(CCO)CC1 ZINC000432539226 1073671601 /nfs/dbraw/zinc/67/16/01/1073671601.db2.gz UZRSHLHGOXSLID-IRXDYDNUSA-N 0 3 394.516 -0.332 20 0 GBADHN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)CS2 ZINC000432544299 1073672735 /nfs/dbraw/zinc/67/27/35/1073672735.db2.gz CTFCXDAVAKLQGN-CRAIPNDOSA-N 0 3 384.546 -0.053 20 0 GBADHN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCCCN1CCN(CCO)CC1)CS2 ZINC000432544300 1073672903 /nfs/dbraw/zinc/67/29/03/1073672903.db2.gz CTFCXDAVAKLQGN-MAUKXSAKSA-N 0 3 384.546 -0.053 20 0 GBADHN C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)CS2 ZINC000432544301 1073673025 /nfs/dbraw/zinc/67/30/25/1073673025.db2.gz CTFCXDAVAKLQGN-QAPCUYQASA-N 0 3 384.546 -0.053 20 0 GBADHN C[C@]12CCC(=O)N1[C@H](C(=O)NCCCCN1CCN(CCO)CC1)CS2 ZINC000432544302 1073673042 /nfs/dbraw/zinc/67/30/42/1073673042.db2.gz CTFCXDAVAKLQGN-YJBOKZPZSA-N 0 3 384.546 -0.053 20 0 GBADHN O=C(Cn1nnc(-c2ccccc2)n1)NCCCCN1CCN(CCO)CC1 ZINC000432546852 1073672925 /nfs/dbraw/zinc/67/29/25/1073672925.db2.gz PVEHXEJUTPJWHF-UHFFFAOYSA-N 0 3 387.488 -0.154 20 0 GBADHN C[C@H]1CN(CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000432560386 530379566 /nfs/dbraw/zinc/37/95/66/530379566.db2.gz XBHGMXVVZLAADE-HNNXBMFYSA-N 0 3 376.523 -0.819 20 0 GBADHN C[C@@H]1CN(CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000432560387 530379547 /nfs/dbraw/zinc/37/95/47/530379547.db2.gz XBHGMXVVZLAADE-OAHLLOKOSA-N 0 3 376.523 -0.819 20 0 GBADHN Cc1nc(NCCN2CCCOCC2)nc(NCCN2CCCOCC2)n1 ZINC000432819176 1073767883 /nfs/dbraw/zinc/76/78/83/1073767883.db2.gz NYRQFXKSFUPIQZ-UHFFFAOYSA-N 0 3 379.509 -0.708 20 0 GBADHN COCCNc1nc(N[C@@H]2CCOC[C@@H]2C)nc(N[C@@H]2CCOC[C@H]2C)n1 ZINC000432861904 1073802405 /nfs/dbraw/zinc/80/24/05/1073802405.db2.gz XUZJFMGHMIFDLU-LXTVHRRPSA-N 0 3 380.493 -0.131 20 0 GBADHN COCCNc1nc(N[C@@H]2CCOC[C@@H]2C)nc(N[C@H]2CCOC[C@H]2C)n1 ZINC000432861905 1073802611 /nfs/dbraw/zinc/80/26/11/1073802611.db2.gz XUZJFMGHMIFDLU-PYHGIMPFSA-N 0 3 380.493 -0.131 20 0 GBADHN COCCNc1nc(N[C@@H]2CCOC[C@@H]2C)nc(N[C@H]2CCOC[C@@H]2C)n1 ZINC000432861906 1073802783 /nfs/dbraw/zinc/80/27/83/1073802783.db2.gz XUZJFMGHMIFDLU-ZQDZILKHSA-N 0 3 380.493 -0.131 20 0 GBADHN COc1cc(CN2CCN(CCO)CC2)cc(CN2CCN(CCO)CC2)c1 ZINC000432936412 1073848638 /nfs/dbraw/zinc/84/86/38/1073848638.db2.gz DEZVRLLLLZCPRJ-UHFFFAOYSA-N 0 3 392.544 -0.085 20 0 GBADHN CNc1nc(N[C@@H]2CC[C@H](C(=O)OC)C2)nc(N[C@@H]2CC[C@H](C(=O)OC)C2)n1 ZINC000432943682 1073848830 /nfs/dbraw/zinc/84/88/30/1073848830.db2.gz JBIZYDMZWFWQIU-WUHRBBMRSA-N 0 3 392.460 -0.314 20 0 GBADHN CN(C)S(=O)(=O)CCCN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062207 530380064 /nfs/dbraw/zinc/38/00/64/530380064.db2.gz SGSWCFQBCARWFB-UHFFFAOYSA-N 0 3 379.504 -0.074 20 0 GBADHN COCn1nc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1C ZINC000433087149 1073874573 /nfs/dbraw/zinc/87/45/73/1073874573.db2.gz HRDIFNUNVCXSRA-AWEZNQCLSA-N 0 3 387.506 -0.030 20 0 GBADHN COCn1nc(C)c(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1C ZINC000433087151 1073874705 /nfs/dbraw/zinc/87/47/05/1073874705.db2.gz HRDIFNUNVCXSRA-CQSZACIVSA-N 0 3 387.506 -0.030 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433187312 1073893436 /nfs/dbraw/zinc/89/34/36/1073893436.db2.gz NUPRREKWKVGJFB-HNNXBMFYSA-N 0 3 390.550 -0.037 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433187313 1073893201 /nfs/dbraw/zinc/89/32/01/1073893201.db2.gz NUPRREKWKVGJFB-OAHLLOKOSA-N 0 3 390.550 -0.037 20 0 GBADHN CCN1CCC[C@@H](CN(C)C(=O)CNC(=O)CNC(C)=O)[C@@H]1c1cnn(C)c1 ZINC000433300810 1073902813 /nfs/dbraw/zinc/90/28/13/1073902813.db2.gz FGNBBAMDJBCKME-HNAYVOBHSA-N 0 3 392.504 -0.096 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 ZINC000433330127 1073905099 /nfs/dbraw/zinc/90/50/99/1073905099.db2.gz IHRYTPGXWIHTTH-UHFFFAOYSA-N 0 3 390.550 -0.476 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000433341727 1073905987 /nfs/dbraw/zinc/90/59/87/1073905987.db2.gz GYGYOFIUBOWLEX-UHFFFAOYSA-N 0 3 379.490 -0.207 20 0 GBADHN CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433347135 530380568 /nfs/dbraw/zinc/38/05/68/530380568.db2.gz KVCBZCZHTBOOJC-UHFFFAOYSA-N 0 3 378.520 -0.141 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433460987 530380246 /nfs/dbraw/zinc/38/02/46/530380246.db2.gz CQYIMCWUVATTLR-AWEZNQCLSA-N 0 3 379.527 -0.381 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433460992 530380264 /nfs/dbraw/zinc/38/02/64/530380264.db2.gz CQYIMCWUVATTLR-CQSZACIVSA-N 0 3 379.527 -0.381 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cn(CC(=O)OC)nn2)CC1 ZINC000433681507 1073959984 /nfs/dbraw/zinc/95/99/84/1073959984.db2.gz VOXNICNWDATFID-UHFFFAOYSA-N 0 3 395.464 -0.853 20 0 GBADHN COCCNc1nc(NC[C@H]2CCCOC2)nc(NC[C@@H]2CCCOC2)n1 ZINC000433798296 1073968656 /nfs/dbraw/zinc/96/86/56/1073968656.db2.gz GCIBBFCDLLTEAU-GASCZTMLSA-N 0 3 380.493 -0.127 20 0 GBADHN COCCNc1nc(NC[C@@H]2CCCOC2)nc(NC[C@@H]2CCCOC2)n1 ZINC000433798297 1073968827 /nfs/dbraw/zinc/96/88/27/1073968827.db2.gz GCIBBFCDLLTEAU-GJZGRUSLSA-N 0 3 380.493 -0.127 20 0 GBADHN COCCNc1nc(NC[C@H]2CCCOC2)nc(NC[C@H]2CCCOC2)n1 ZINC000433798298 1073968921 /nfs/dbraw/zinc/96/89/21/1073968921.db2.gz GCIBBFCDLLTEAU-HUUCEWRRSA-N 0 3 380.493 -0.127 20 0 GBADHN O=C(CCNC(=O)NC[C@H]1CCCCN1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000433954291 1073977972 /nfs/dbraw/zinc/97/79/72/1073977972.db2.gz RLIBIGFUOOIGDL-DZGCQCFKSA-N 0 3 386.518 -0.004 20 0 GBADHN O=C(CCNC(=O)NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000433954292 1073977687 /nfs/dbraw/zinc/97/76/87/1073977687.db2.gz RLIBIGFUOOIGDL-HIFRSBDPSA-N 0 3 386.518 -0.004 20 0 GBADHN O=C(CCNC(=O)NC[C@H]1CCCCN1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000433954293 1073977756 /nfs/dbraw/zinc/97/77/56/1073977756.db2.gz RLIBIGFUOOIGDL-UKRRQHHQSA-N 0 3 386.518 -0.004 20 0 GBADHN O=C(CCNC(=O)NC[C@@H]1CCCCN1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000433954294 1073978167 /nfs/dbraw/zinc/97/81/67/1073978167.db2.gz RLIBIGFUOOIGDL-ZFWWWQNUSA-N 0 3 386.518 -0.004 20 0 GBADHN C[N-]S(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000433961309 1073978938 /nfs/dbraw/zinc/97/89/38/1073978938.db2.gz SPYSYYLFQHTGFP-GFCCVEGCSA-N 0 3 386.474 -0.187 20 0 GBADHN C[N-]S(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000433961309 1073978933 /nfs/dbraw/zinc/97/89/33/1073978933.db2.gz SPYSYYLFQHTGFP-GFCCVEGCSA-N 0 3 386.474 -0.187 20 0 GBADHN C[N-]S(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000433961311 1073978602 /nfs/dbraw/zinc/97/86/02/1073978602.db2.gz SPYSYYLFQHTGFP-LBPRGKRZSA-N 0 3 386.474 -0.187 20 0 GBADHN C[N-]S(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000433961311 1073978597 /nfs/dbraw/zinc/97/85/97/1073978597.db2.gz SPYSYYLFQHTGFP-LBPRGKRZSA-N 0 3 386.474 -0.187 20 0 GBADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101613 530381006 /nfs/dbraw/zinc/38/10/06/530381006.db2.gz JLUFCFAQMACPGD-HNNXBMFYSA-N 0 3 398.595 -0.397 20 0 GBADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101614 530380775 /nfs/dbraw/zinc/38/07/75/530380775.db2.gz JLUFCFAQMACPGD-OAHLLOKOSA-N 0 3 398.595 -0.397 20 0 GBADHN CN(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000434169714 1072364237 /nfs/dbraw/zinc/36/42/37/1072364237.db2.gz LEPWQCKZLOUPBL-QZTJIDSGSA-N 0 3 395.525 -0.359 20 0 GBADHN CN(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000434169716 1072364373 /nfs/dbraw/zinc/36/43/73/1072364373.db2.gz LEPWQCKZLOUPBL-ZWKOTPCHSA-N 0 3 395.525 -0.359 20 0 GBADHN CC(C)NC(=O)CN(C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000434169919 1072364416 /nfs/dbraw/zinc/36/44/16/1072364416.db2.gz NBQZUIKTJBCHSH-GOSISDBHSA-N 0 3 376.501 -0.022 20 0 GBADHN C[C@H](CN1CCOCC1)N(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000434182623 1072403096 /nfs/dbraw/zinc/40/30/96/1072403096.db2.gz KIXIPQBETHBWNQ-GOSISDBHSA-N 0 3 385.553 -0.261 20 0 GBADHN C[C@@H](CN1CCOCC1)N(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000434182624 1072403603 /nfs/dbraw/zinc/40/36/03/1072403603.db2.gz KIXIPQBETHBWNQ-SFHVURJKSA-N 0 3 385.553 -0.261 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)NCC1(N2CCOCC2)CC1 ZINC000434427586 1072622135 /nfs/dbraw/zinc/62/21/35/1072622135.db2.gz CMOMZSRHHOWKPZ-UHFFFAOYSA-N 0 3 383.537 -0.460 20 0 GBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2C2CC2)c[nH]1 ZINC000434447185 1072624242 /nfs/dbraw/zinc/62/42/42/1072624242.db2.gz UCUZNDROAIAJFS-GFCCVEGCSA-N 0 3 383.474 -0.475 20 0 GBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C2CC2)c[nH]1 ZINC000434447192 1072624175 /nfs/dbraw/zinc/62/41/75/1072624175.db2.gz UCUZNDROAIAJFS-LBPRGKRZSA-N 0 3 383.474 -0.475 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434454218 1072625890 /nfs/dbraw/zinc/62/58/90/1072625890.db2.gz YXYVXXBMWRDPPQ-GXTWGEPZSA-N 0 3 388.490 -0.079 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434454220 1072625874 /nfs/dbraw/zinc/62/58/74/1072625874.db2.gz YXYVXXBMWRDPPQ-JSGCOSHPSA-N 0 3 388.490 -0.079 20 0 GBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)CC1 ZINC000434566151 1072629481 /nfs/dbraw/zinc/62/94/81/1072629481.db2.gz LYGHKRXNNSQLSL-CALCHBBNSA-N 0 3 376.457 -0.281 20 0 GBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)c2)CC1 ZINC000434566153 1072629664 /nfs/dbraw/zinc/62/96/64/1072629664.db2.gz LYGHKRXNNSQLSL-IAGOWNOFSA-N 0 3 376.457 -0.281 20 0 GBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)CC1 ZINC000434566155 1072629359 /nfs/dbraw/zinc/62/93/59/1072629359.db2.gz LYGHKRXNNSQLSL-IRXDYDNUSA-N 0 3 376.457 -0.281 20 0 GBADHN COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCCN(C)C)n2)c1C ZINC000434595356 1072633434 /nfs/dbraw/zinc/63/34/34/1072633434.db2.gz HVJUBKHGCRJOAK-UHFFFAOYSA-N 0 3 375.433 -0.037 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[NH2+][C@H]2C)s1 ZINC000434709711 530381717 /nfs/dbraw/zinc/38/17/17/530381717.db2.gz YCUDPPVIAUHONL-GWCFXTLKSA-N 0 3 388.515 -0.081 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000434709712 530381625 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3 388.515 -0.129 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN[C@@H](C)[C@H]2C)s1 ZINC000434710587 530382194 /nfs/dbraw/zinc/38/21/94/530382194.db2.gz YJEZREMTOBZKCU-WDEREUQCSA-N 0 3 388.515 -0.129 20 0 GBADHN O=C1NC(=O)[C@@]2(CCCN(C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774478 1072644651 /nfs/dbraw/zinc/64/46/51/1072644651.db2.gz HKYYUGFSPGCKCN-ACJLOTCBSA-N 0 3 387.396 -0.462 20 0 GBADHN O=C1NC(=O)[C@]2(CCCN(C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774481 1072644301 /nfs/dbraw/zinc/64/43/01/1072644301.db2.gz HKYYUGFSPGCKCN-FZKQIMNGSA-N 0 3 387.396 -0.462 20 0 GBADHN O=C1NC(=O)[C@]2(CCCN(C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774483 1072644799 /nfs/dbraw/zinc/64/47/99/1072644799.db2.gz HKYYUGFSPGCKCN-SCLBCKFNSA-N 0 3 387.396 -0.462 20 0 GBADHN O=C1NC(=O)[C@@]2(CCCN(C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774485 1072644207 /nfs/dbraw/zinc/64/42/07/1072644207.db2.gz HKYYUGFSPGCKCN-UGSOOPFHSA-N 0 3 387.396 -0.462 20 0 GBADHN 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C[C@@H]1CN(S(=O)(=O)NCCCCN2CCN(CCO)CC2)C[C@@H](C)O1 ZINC000443279398 530391533 /nfs/dbraw/zinc/39/15/33/530391533.db2.gz YUCYBSBXHBLFIN-HZPDHXFCSA-N 0 3 378.539 -0.680 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)NCCCCN2CCN(CCO)CC2)C[C@H](C)O1 ZINC000443279399 530391433 /nfs/dbraw/zinc/39/14/33/530391433.db2.gz YUCYBSBXHBLFIN-IYBDPMFKSA-N 0 3 378.539 -0.680 20 0 GBADHN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC3CCN(CCO)CC3)cnc21 ZINC000443280083 1073289401 /nfs/dbraw/zinc/28/94/01/1073289401.db2.gz ANLDCWRFFNEKIQ-UHFFFAOYSA-N 0 3 397.457 -0.983 20 0 GBADHN NS(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443288809 530391481 /nfs/dbraw/zinc/39/14/81/530391481.db2.gz MDPNERDTLVTXFF-UHFFFAOYSA-N 0 3 377.488 -0.683 20 0 GBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000443290701 530391384 /nfs/dbraw/zinc/39/13/84/530391384.db2.gz CZBXKQQWOWJDDX-UHFFFAOYSA-N 0 3 391.515 -0.423 20 0 GBADHN NS(=O)(=O)c1cccc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)c1 ZINC000443292229 530391509 /nfs/dbraw/zinc/39/15/09/530391509.db2.gz HHXGBVPMXYTGEX-CYBMUJFWSA-N 0 3 391.515 -0.151 20 0 GBADHN NS(=O)(=O)c1cccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)c1 ZINC000443292233 530391200 /nfs/dbraw/zinc/39/12/00/530391200.db2.gz HHXGBVPMXYTGEX-ZDUSSCGKSA-N 0 3 391.515 -0.151 20 0 GBADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443297556 530391544 /nfs/dbraw/zinc/39/15/44/530391544.db2.gz FVKDDHMBEOUMOM-UHFFFAOYSA-N 0 3 391.515 -0.423 20 0 GBADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000443298076 530391212 /nfs/dbraw/zinc/39/12/12/530391212.db2.gz HFRSZMUBOIFPBR-CABCVRRESA-N 0 3 377.507 -0.059 20 0 GBADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443298079 530391224 /nfs/dbraw/zinc/39/12/24/530391224.db2.gz HFRSZMUBOIFPBR-GJZGRUSLSA-N 0 3 377.507 -0.059 20 0 GBADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000443298081 530391409 /nfs/dbraw/zinc/39/14/09/530391409.db2.gz HFRSZMUBOIFPBR-HUUCEWRRSA-N 0 3 377.507 -0.059 20 0 GBADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443298084 530391373 /nfs/dbraw/zinc/39/13/73/530391373.db2.gz HFRSZMUBOIFPBR-LSDHHAIUSA-N 0 3 377.507 -0.059 20 0 GBADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000443300687 1073289951 /nfs/dbraw/zinc/28/99/51/1073289951.db2.gz USLBAIGFJRXKPB-GFCCVEGCSA-N 0 3 396.469 -0.413 20 0 GBADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000443300688 1073290055 /nfs/dbraw/zinc/29/00/55/1073290055.db2.gz USLBAIGFJRXKPB-LBPRGKRZSA-N 0 3 396.469 -0.413 20 0 GBADHN Cn1nnnc1-c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443305765 1073291389 /nfs/dbraw/zinc/29/13/89/1073291389.db2.gz MCWGUGSPNFEDJU-UHFFFAOYSA-N 0 3 380.474 -0.140 20 0 GBADHN CCOC(=O)C1CCN(S(=O)(=O)NCC2CCN(CCO)CC2)CC1 ZINC000443317323 530391552 /nfs/dbraw/zinc/39/15/52/530391552.db2.gz QVAXPEIMQMMHPS-UHFFFAOYSA-N 0 3 377.507 -0.200 20 0 GBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1C ZINC000443319498 1073292400 /nfs/dbraw/zinc/29/24/00/1073292400.db2.gz MBOKOBHOVBHHKF-UHFFFAOYSA-N 0 3 377.445 -0.106 20 0 GBADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443323900 530391499 /nfs/dbraw/zinc/39/14/99/530391499.db2.gz SSPKSWINZPFTQN-CYBMUJFWSA-N 0 3 391.515 -0.295 20 0 GBADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443323902 530391339 /nfs/dbraw/zinc/39/13/39/530391339.db2.gz SSPKSWINZPFTQN-ZDUSSCGKSA-N 0 3 391.515 -0.295 20 0 GBADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341331 1072249041 /nfs/dbraw/zinc/24/90/41/1072249041.db2.gz IIJQATZQLOCDIV-FGTMMUONSA-N 0 3 396.532 -0.529 20 0 GBADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341334 1072249346 /nfs/dbraw/zinc/24/93/46/1072249346.db2.gz IIJQATZQLOCDIV-KURKYZTESA-N 0 3 396.532 -0.529 20 0 GBADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341336 1072249066 /nfs/dbraw/zinc/24/90/66/1072249066.db2.gz IIJQATZQLOCDIV-KZNAEPCWSA-N 0 3 396.532 -0.529 20 0 GBADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341338 1072248880 /nfs/dbraw/zinc/24/88/80/1072248880.db2.gz IIJQATZQLOCDIV-SQNIBIBYSA-N 0 3 396.532 -0.529 20 0 GBADHN C[C@@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000443434726 530391698 /nfs/dbraw/zinc/39/16/98/530391698.db2.gz FIOAALKELCRCNH-CABCVRRESA-N 0 3 375.539 -0.278 20 0 GBADHN C[C@@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000443434730 530391656 /nfs/dbraw/zinc/39/16/56/530391656.db2.gz FIOAALKELCRCNH-GJZGRUSLSA-N 0 3 375.539 -0.278 20 0 GBADHN C[C@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000443434732 530391884 /nfs/dbraw/zinc/39/18/84/530391884.db2.gz FIOAALKELCRCNH-HUUCEWRRSA-N 0 3 375.539 -0.278 20 0 GBADHN C[C@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000443434733 530391820 /nfs/dbraw/zinc/39/18/20/530391820.db2.gz FIOAALKELCRCNH-LSDHHAIUSA-N 0 3 375.539 -0.278 20 0 GBADHN COCCNc1nc(N2CCN(C)C[C@H]2C)nc(N2CCN(C)C[C@@H]2C)n1 ZINC000443441829 1073295820 /nfs/dbraw/zinc/29/58/20/1073295820.db2.gz KWFQBIOCOFNRSE-GASCZTMLSA-N 0 3 378.525 -0.368 20 0 GBADHN C[C@@H]1CN(C)CCN1c1nc(N2CCOCC2)nc(N2CCN(C)C[C@@H]2C)n1 ZINC000443443521 1073296091 /nfs/dbraw/zinc/29/60/91/1073296091.db2.gz NKXOAHFJVPXWPP-IYBDPMFKSA-N 0 3 390.536 -0.011 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000443465931 530391855 /nfs/dbraw/zinc/39/18/55/530391855.db2.gz IAAOCSGRFKWTSI-HNNXBMFYSA-N 0 3 394.563 -0.338 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000443465932 530391810 /nfs/dbraw/zinc/39/18/10/530391810.db2.gz IAAOCSGRFKWTSI-OAHLLOKOSA-N 0 3 394.563 -0.338 20 0 GBADHN CCN1CCN(CCCCNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443484823 530392026 /nfs/dbraw/zinc/39/20/26/530392026.db2.gz LSLRDQOTEDRWRJ-HNNXBMFYSA-N 0 3 375.539 -0.133 20 0 GBADHN CCN1CCN(CCCCNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443484826 530392171 /nfs/dbraw/zinc/39/21/71/530392171.db2.gz LSLRDQOTEDRWRJ-OAHLLOKOSA-N 0 3 375.539 -0.133 20 0 GBADHN C[C@@H](CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(N)(=O)=O ZINC000443492782 1073303001 /nfs/dbraw/zinc/30/30/01/1073303001.db2.gz VDSDMHZBQSYWSC-AWEZNQCLSA-N 0 3 383.518 -0.090 20 0 GBADHN C[C@H](CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(N)(=O)=O ZINC000443492784 1073303321 /nfs/dbraw/zinc/30/33/21/1073303321.db2.gz VDSDMHZBQSYWSC-CQSZACIVSA-N 0 3 383.518 -0.090 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000443501030 530392133 /nfs/dbraw/zinc/39/21/33/530392133.db2.gz LVGRFWXZJVFJMG-CABCVRRESA-N 0 3 397.563 -0.387 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000443501031 530392077 /nfs/dbraw/zinc/39/20/77/530392077.db2.gz LVGRFWXZJVFJMG-GJZGRUSLSA-N 0 3 397.563 -0.387 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000443501032 530392244 /nfs/dbraw/zinc/39/22/44/530392244.db2.gz LVGRFWXZJVFJMG-HUUCEWRRSA-N 0 3 397.563 -0.387 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000443501033 530392631 /nfs/dbraw/zinc/39/26/31/530392631.db2.gz LVGRFWXZJVFJMG-LSDHHAIUSA-N 0 3 397.563 -0.387 20 0 GBADHN COC(=O)C1CCN(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)CC1 ZINC000443503193 530392648 /nfs/dbraw/zinc/39/26/48/530392648.db2.gz XYHACBWZVCEMBS-UHFFFAOYSA-N 0 3 377.507 -0.059 20 0 GBADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443513437 530392402 /nfs/dbraw/zinc/39/24/02/530392402.db2.gz VPRYAPLGFGCVCO-UHFFFAOYSA-N 0 3 391.515 -0.152 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443523210 1073306166 /nfs/dbraw/zinc/30/61/66/1073306166.db2.gz RBKVRMKHWZHTRH-HNNXBMFYSA-N 0 3 389.566 -0.030 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443523211 1073305995 /nfs/dbraw/zinc/30/59/95/1073305995.db2.gz RBKVRMKHWZHTRH-OAHLLOKOSA-N 0 3 389.566 -0.030 20 0 GBADHN CC(C)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N1CCCCC1 ZINC000443528792 530392663 /nfs/dbraw/zinc/39/26/63/530392663.db2.gz FSYLEFUUHKHSOS-UHFFFAOYSA-N 0 3 382.552 -0.338 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443534574 530392652 /nfs/dbraw/zinc/39/26/52/530392652.db2.gz WMBSLHDYWCJLED-CABCVRRESA-N 0 3 375.539 -0.278 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443534575 530392659 /nfs/dbraw/zinc/39/26/59/530392659.db2.gz WMBSLHDYWCJLED-GJZGRUSLSA-N 0 3 375.539 -0.278 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443534576 530392550 /nfs/dbraw/zinc/39/25/50/530392550.db2.gz WMBSLHDYWCJLED-HUUCEWRRSA-N 0 3 375.539 -0.278 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443534577 530392578 /nfs/dbraw/zinc/39/25/78/530392578.db2.gz WMBSLHDYWCJLED-LSDHHAIUSA-N 0 3 375.539 -0.278 20 0 GBADHN CN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC(C)(C)CN1CCOCC1 ZINC000443642467 1073314856 /nfs/dbraw/zinc/31/48/56/1073314856.db2.gz SCRVQVOSICASSM-UHFFFAOYSA-N 0 3 397.564 -0.491 20 0 GBADHN C[C@H]1CN(CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000443681936 1073318182 /nfs/dbraw/zinc/31/81/82/1073318182.db2.gz NKGODNCLMDMFTG-KBPBESRZSA-N 0 3 387.506 -0.074 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000443681943 1073317799 /nfs/dbraw/zinc/31/77/99/1073317799.db2.gz NKGODNCLMDMFTG-OKILXGFUSA-N 0 3 387.506 -0.074 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@@H](C)O1 ZINC000443681944 1073317975 /nfs/dbraw/zinc/31/79/75/1073317975.db2.gz NKGODNCLMDMFTG-ZIAGYGMSSA-N 0 3 387.506 -0.074 20 0 GBADHN C[C@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)O1 ZINC000443684574 1073316968 /nfs/dbraw/zinc/31/69/68/1073316968.db2.gz TWGXUSMAILLDFI-KBPBESRZSA-N 0 3 387.506 -0.296 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)O1 ZINC000443684575 1073317031 /nfs/dbraw/zinc/31/70/31/1073317031.db2.gz TWGXUSMAILLDFI-OKILXGFUSA-N 0 3 387.506 -0.296 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)O1 ZINC000443684576 1073317391 /nfs/dbraw/zinc/31/73/91/1073317391.db2.gz TWGXUSMAILLDFI-ZIAGYGMSSA-N 0 3 387.506 -0.296 20 0 GBADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000443770470 1073340388 /nfs/dbraw/zinc/34/03/88/1073340388.db2.gz JKMCNPFSUIGOQV-KBPBESRZSA-N 0 3 385.490 -0.290 20 0 GBADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000443770471 1073340528 /nfs/dbraw/zinc/34/05/28/1073340528.db2.gz JKMCNPFSUIGOQV-KGLIPLIRSA-N 0 3 385.490 -0.290 20 0 GBADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000443770472 1073340879 /nfs/dbraw/zinc/34/08/79/1073340879.db2.gz JKMCNPFSUIGOQV-UONOGXRCSA-N 0 3 385.490 -0.290 20 0 GBADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000443770473 1073340436 /nfs/dbraw/zinc/34/04/36/1073340436.db2.gz JKMCNPFSUIGOQV-ZIAGYGMSSA-N 0 3 385.490 -0.290 20 0 GBADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)N(C)C ZINC000443842689 1073377711 /nfs/dbraw/zinc/37/77/11/1073377711.db2.gz MVSGYBCZVQUPLG-GUTXKFCHSA-N 0 3 384.502 -0.104 20 0 GBADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)N(C)C ZINC000443842690 1073378350 /nfs/dbraw/zinc/37/83/50/1073378350.db2.gz MVSGYBCZVQUPLG-IPYPFGDCSA-N 0 3 384.502 -0.104 20 0 GBADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)N(C)C ZINC000443842691 1073378111 /nfs/dbraw/zinc/37/81/11/1073378111.db2.gz MVSGYBCZVQUPLG-NFAWXSAZSA-N 0 3 384.502 -0.104 20 0 GBADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)N(C)C ZINC000443842692 1073378297 /nfs/dbraw/zinc/37/82/97/1073378297.db2.gz MVSGYBCZVQUPLG-YDHLFZDLSA-N 0 3 384.502 -0.104 20 0 GBADHN C[C@H](O)C[C@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876531 1072260937 /nfs/dbraw/zinc/26/09/37/1072260937.db2.gz NLYPERWFFVZORI-DLBZAZTESA-N 0 3 382.505 -0.775 20 0 GBADHN C[C@@H](O)C[C@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876532 1072261100 /nfs/dbraw/zinc/26/11/00/1072261100.db2.gz NLYPERWFFVZORI-IAGOWNOFSA-N 0 3 382.505 -0.775 20 0 GBADHN C[C@H](O)C[C@@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876533 1072261061 /nfs/dbraw/zinc/26/10/61/1072261061.db2.gz NLYPERWFFVZORI-IRXDYDNUSA-N 0 3 382.505 -0.775 20 0 GBADHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876534 1072261189 /nfs/dbraw/zinc/26/11/89/1072261189.db2.gz NLYPERWFFVZORI-SJORKVTESA-N 0 3 382.505 -0.775 20 0 GBADHN Cc1cnc(NC[C@@H]2CN(C)CCN2C)nc1NC[C@H]1CN(C)CCN1C ZINC000444084755 1073445824 /nfs/dbraw/zinc/44/58/24/1073445824.db2.gz LGJQYUWQFMUZLN-DLBZAZTESA-N 0 3 376.553 0.100 20 0 GBADHN Cc1cnc(NC[C@@H]2CN(C)CCN2C)nc1NC[C@@H]1CN(C)CCN1C ZINC000444084756 1073445897 /nfs/dbraw/zinc/44/58/97/1073445897.db2.gz LGJQYUWQFMUZLN-IAGOWNOFSA-N 0 3 376.553 0.100 20 0 GBADHN Cc1cnc(NC[C@H]2CN(C)CCN2C)nc1NC[C@H]1CN(C)CCN1C ZINC000444084757 1073447115 /nfs/dbraw/zinc/44/71/15/1073447115.db2.gz LGJQYUWQFMUZLN-IRXDYDNUSA-N 0 3 376.553 0.100 20 0 GBADHN Cc1cnc(NC[C@H]2CN(C)CCN2C)nc1NC[C@@H]1CN(C)CCN1C ZINC000444084758 1073446975 /nfs/dbraw/zinc/44/69/75/1073446975.db2.gz LGJQYUWQFMUZLN-SJORKVTESA-N 0 3 376.553 0.100 20 0 GBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136485 1073458403 /nfs/dbraw/zinc/45/84/03/1073458403.db2.gz CGQXCONJMYETIP-AUUYWEPGSA-N 0 3 380.489 -0.188 20 0 GBADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136488 1073457905 /nfs/dbraw/zinc/45/79/05/1073457905.db2.gz CGQXCONJMYETIP-IFXJQAMLSA-N 0 3 380.489 -0.188 20 0 GBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136492 1073458054 /nfs/dbraw/zinc/45/80/54/1073458054.db2.gz CGQXCONJMYETIP-KUHUBIRLSA-N 0 3 380.489 -0.188 20 0 GBADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136496 1073458375 /nfs/dbraw/zinc/45/83/75/1073458375.db2.gz CGQXCONJMYETIP-LIRRHRJNSA-N 0 3 380.489 -0.188 20 0 GBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444155378 1073460459 /nfs/dbraw/zinc/46/04/59/1073460459.db2.gz ILXMZQVYKVITLO-AUUYWEPGSA-N 0 3 396.488 -0.952 20 0 GBADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444155379 1073461617 /nfs/dbraw/zinc/46/16/17/1073461617.db2.gz ILXMZQVYKVITLO-IFXJQAMLSA-N 0 3 396.488 -0.952 20 0 GBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444155380 1073461591 /nfs/dbraw/zinc/46/15/91/1073461591.db2.gz ILXMZQVYKVITLO-KUHUBIRLSA-N 0 3 396.488 -0.952 20 0 GBADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444155382 1073461507 /nfs/dbraw/zinc/46/15/07/1073461507.db2.gz ILXMZQVYKVITLO-LIRRHRJNSA-N 0 3 396.488 -0.952 20 0 GBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444170522 1073461663 /nfs/dbraw/zinc/46/16/63/1073461663.db2.gz VJBUZYGHQNQXER-JXXFODFXSA-N 0 3 396.532 -0.090 20 0 GBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444170524 1073461611 /nfs/dbraw/zinc/46/16/11/1073461611.db2.gz VJBUZYGHQNQXER-QINHECLXSA-N 0 3 396.532 -0.090 20 0 GBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444170525 1073461136 /nfs/dbraw/zinc/46/11/36/1073461136.db2.gz VJBUZYGHQNQXER-RZQQEMMASA-N 0 3 396.532 -0.090 20 0 GBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1(C)C ZINC000444170527 1073461528 /nfs/dbraw/zinc/46/15/28/1073461528.db2.gz VJBUZYGHQNQXER-YRNRMSPPSA-N 0 3 396.532 -0.090 20 0 GBADHN COC(=O)Cn1cc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)cn1 ZINC000444199235 1073464753 /nfs/dbraw/zinc/46/47/53/1073464753.db2.gz VIQSVRGQRFJWNB-UHFFFAOYSA-N 0 3 387.506 -0.297 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@H]2CCC[NH2+]2)s1 ZINC000444269411 530394238 /nfs/dbraw/zinc/39/42/38/530394238.db2.gz XLDUKLXQQRYICV-GFCCVEGCSA-N 0 3 388.515 -0.079 20 0 GBADHN CCN(CCNC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000444356042 1073494731 /nfs/dbraw/zinc/49/47/31/1073494731.db2.gz IQLSMVWIEANJIJ-MSOLQXFVSA-N 0 3 396.580 -0.777 20 0 GBADHN CCN(CCNC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000444356043 1073494762 /nfs/dbraw/zinc/49/47/62/1073494762.db2.gz IQLSMVWIEANJIJ-QZTJIDSGSA-N 0 3 396.580 -0.777 20 0 GBADHN CCN(CCNC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000444356044 1073495017 /nfs/dbraw/zinc/49/50/17/1073495017.db2.gz IQLSMVWIEANJIJ-ROUUACIJSA-N 0 3 396.580 -0.777 20 0 GBADHN CCN(CCNC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000444356045 1073494757 /nfs/dbraw/zinc/49/47/57/1073494757.db2.gz IQLSMVWIEANJIJ-ZWKOTPCHSA-N 0 3 396.580 -0.777 20 0 GBADHN CCN(CCNC(=O)[C@H](C)CN1CCOCC1)C(=O)[C@@H](C)CN1CCOCC1 ZINC000444375938 1073511177 /nfs/dbraw/zinc/51/11/77/1073511177.db2.gz RCJBINGNRJFTCA-MSOLQXFVSA-N 0 3 398.548 -0.112 20 0 GBADHN CCN(CCNC(=O)[C@H](C)CN1CCOCC1)C(=O)[C@H](C)CN1CCOCC1 ZINC000444375939 1073511555 /nfs/dbraw/zinc/51/15/55/1073511555.db2.gz RCJBINGNRJFTCA-QZTJIDSGSA-N 0 3 398.548 -0.112 20 0 GBADHN CCN(CCNC(=O)[C@@H](C)CN1CCOCC1)C(=O)[C@@H](C)CN1CCOCC1 ZINC000444375940 1073511314 /nfs/dbraw/zinc/51/13/14/1073511314.db2.gz RCJBINGNRJFTCA-ROUUACIJSA-N 0 3 398.548 -0.112 20 0 GBADHN CCN(CCNC(=O)[C@@H](C)CN1CCOCC1)C(=O)[C@H](C)CN1CCOCC1 ZINC000444375941 1073511492 /nfs/dbraw/zinc/51/14/92/1073511492.db2.gz RCJBINGNRJFTCA-ZWKOTPCHSA-N 0 3 398.548 -0.112 20 0 GBADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN(CCO)CCN1CCOCC1 ZINC000444409935 1072210206 /nfs/dbraw/zinc/21/02/06/1072210206.db2.gz YWDHOAYXPXFNCF-KRWDZBQOSA-N 0 3 392.456 -0.509 20 0 GBADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN(CCO)CCN1CCOCC1 ZINC000444409940 1072209774 /nfs/dbraw/zinc/20/97/74/1072209774.db2.gz YWDHOAYXPXFNCF-QGZVFWFLSA-N 0 3 392.456 -0.509 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(Cc3nc(COC)no3)CC2)CC1 ZINC000444444106 1073526082 /nfs/dbraw/zinc/52/60/82/1073526082.db2.gz OMDQREOZGFTVBJ-UHFFFAOYSA-N 0 3 380.493 -0.112 20 0 GBADHN COCc1noc(CN2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000444444729 1073526299 /nfs/dbraw/zinc/52/62/99/1073526299.db2.gz PLWISGWPQMLUIX-AWEZNQCLSA-N 0 3 394.476 -0.730 20 0 GBADHN COCc1noc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000444444730 1073526284 /nfs/dbraw/zinc/52/62/84/1073526284.db2.gz PLWISGWPQMLUIX-CQSZACIVSA-N 0 3 394.476 -0.730 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)N1CCC(C)CC1 ZINC000444510196 1073538295 /nfs/dbraw/zinc/53/82/95/1073538295.db2.gz BLMRNYPLXVCNRY-AWEZNQCLSA-N 0 3 378.477 0.146 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)N1CCC(C)CC1 ZINC000444510197 1073538746 /nfs/dbraw/zinc/53/87/46/1073538746.db2.gz BLMRNYPLXVCNRY-CQSZACIVSA-N 0 3 378.477 0.146 20 0 GBADHN COCCn1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 ZINC000444569410 1073539971 /nfs/dbraw/zinc/53/99/71/1073539971.db2.gz LDUGTWYSEQZAHS-UHFFFAOYSA-N 0 3 381.477 0.474 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)CC1 ZINC000444569931 1073539330 /nfs/dbraw/zinc/53/93/30/1073539330.db2.gz MLSPVNHXIXUTFV-UHFFFAOYSA-N 0 3 377.445 -0.664 20 0 GBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000444595898 1073541416 /nfs/dbraw/zinc/54/14/16/1073541416.db2.gz OWCMIKHXSNESOE-UHFFFAOYSA-N 0 3 378.477 0.291 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)N1CCCC[C@@H]1C ZINC000444596160 1073541600 /nfs/dbraw/zinc/54/16/00/1073541600.db2.gz KRYKYWZHXUOAPC-KBPBESRZSA-N 0 3 378.477 0.289 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)N1CCCC[C@H]1C ZINC000444596164 1073542009 /nfs/dbraw/zinc/54/20/09/1073542009.db2.gz KRYKYWZHXUOAPC-KGLIPLIRSA-N 0 3 378.477 0.289 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)N1CCCC[C@@H]1C ZINC000444596168 1073541979 /nfs/dbraw/zinc/54/19/79/1073541979.db2.gz KRYKYWZHXUOAPC-UONOGXRCSA-N 0 3 378.477 0.289 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)N1CCCC[C@H]1C ZINC000444596172 1073541785 /nfs/dbraw/zinc/54/17/85/1073541785.db2.gz KRYKYWZHXUOAPC-ZIAGYGMSSA-N 0 3 378.477 0.289 20 0 GBADHN Cn1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1=O ZINC000444597641 1073543441 /nfs/dbraw/zinc/54/34/41/1073543441.db2.gz NHDFMBPDHFEYFP-MRXNPFEDSA-N 0 3 384.436 -0.141 20 0 GBADHN Cn1c2ncn(CC(=O)NCCN3CCCC(C)(C)C3)c2c(=O)n(C)c1=O ZINC000444619996 1073543774 /nfs/dbraw/zinc/54/37/74/1073543774.db2.gz QWYHAPVCNQJARK-UHFFFAOYSA-N 0 3 376.461 -0.328 20 0 GBADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC1(O)CCOCC1 ZINC000444757299 1073547939 /nfs/dbraw/zinc/54/79/39/1073547939.db2.gz UDLSIVLTGWHTDZ-AWEZNQCLSA-N 0 3 399.513 -0.146 20 0 GBADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC1(O)CCOCC1 ZINC000444757300 1073548163 /nfs/dbraw/zinc/54/81/63/1073548163.db2.gz UDLSIVLTGWHTDZ-CQSZACIVSA-N 0 3 399.513 -0.146 20 0 GBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN(CCO)C2CCOCC2)CC1 ZINC000444772159 1073550823 /nfs/dbraw/zinc/55/08/23/1073550823.db2.gz UTVSUZNSFUQHMP-UHFFFAOYSA-N 0 3 384.521 -0.481 20 0 GBADHN CCO[C@@H]1C[C@@](CO)(NCC(=O)N2CCN(CC(=O)N(C)C)CC2)C1(C)C ZINC000444791302 1073551876 /nfs/dbraw/zinc/55/18/76/1073551876.db2.gz KSGCNHUNZICYDU-BEFAXECRSA-N 0 3 384.521 -0.626 20 0 GBADHN CCO[C@@H]1C[C@](CO)(NCC(=O)N2CCN(CC(=O)N(C)C)CC2)C1(C)C ZINC000444791303 1073551913 /nfs/dbraw/zinc/55/19/13/1073551913.db2.gz KSGCNHUNZICYDU-DNVCBOLYSA-N 0 3 384.521 -0.626 20 0 GBADHN CCO[C@H]1C[C@](CO)(NCC(=O)N2CCN(CC(=O)N(C)C)CC2)C1(C)C ZINC000444791304 1073551627 /nfs/dbraw/zinc/55/16/27/1073551627.db2.gz KSGCNHUNZICYDU-HNAYVOBHSA-N 0 3 384.521 -0.626 20 0 GBADHN CCO[C@H]1C[C@@](CO)(NCC(=O)N2CCN(CC(=O)N(C)C)CC2)C1(C)C ZINC000444791305 1073551454 /nfs/dbraw/zinc/55/14/54/1073551454.db2.gz KSGCNHUNZICYDU-KXBFYZLASA-N 0 3 384.521 -0.626 20 0 GBADHN CCO[C@H]1C[C@@](CO)(NCC(=O)NCCCN(C)S(C)(=O)=O)C1(C)C ZINC000444805816 530395063 /nfs/dbraw/zinc/39/50/63/530395063.db2.gz VRMLEBJOGFDPIZ-BBRMVZONSA-N 0 3 379.523 -0.460 20 0 GBADHN CCO[C@@H]1C[C@@](CO)(NCC(=O)NCCCN(C)S(C)(=O)=O)C1(C)C ZINC000444805817 530395097 /nfs/dbraw/zinc/39/50/97/530395097.db2.gz VRMLEBJOGFDPIZ-CJNGLKHVSA-N 0 3 379.523 -0.460 20 0 GBADHN CCO[C@@H]1C[C@](CO)(NCC(=O)NCCCN(C)S(C)(=O)=O)C1(C)C ZINC000444805818 530395016 /nfs/dbraw/zinc/39/50/16/530395016.db2.gz VRMLEBJOGFDPIZ-CZUORRHYSA-N 0 3 379.523 -0.460 20 0 GBADHN CCO[C@H]1C[C@](CO)(NCC(=O)NCCCN(C)S(C)(=O)=O)C1(C)C ZINC000444805819 530395068 /nfs/dbraw/zinc/39/50/68/530395068.db2.gz VRMLEBJOGFDPIZ-XJKSGUPXSA-N 0 3 379.523 -0.460 20 0 GBADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCCN(C)C)CC1 ZINC000445098563 1073561124 /nfs/dbraw/zinc/56/11/24/1073561124.db2.gz BSXOYKQBBMFXHX-UHFFFAOYSA-N 0 3 375.473 -0.033 20 0 GBADHN Cc1cnc(NCCN2CCCOCC2)nc1NCCN1CCCOCC1 ZINC000445667200 1073579136 /nfs/dbraw/zinc/57/91/36/1073579136.db2.gz ZGPLNVPUWGDZOJ-UHFFFAOYSA-N 0 3 378.521 -0.103 20 0 GBADHN CC(C)N(CCCNC(=O)CN[C@H]1CCCC[C@@H]1C(N)=O)S(C)(=O)=O ZINC000445789826 530395437 /nfs/dbraw/zinc/39/54/37/530395437.db2.gz KVWKVXSAKJIFHZ-KBPBESRZSA-N 0 3 376.523 -0.204 20 0 GBADHN CC(C)N(CCCNC(=O)CN[C@H]1CCCC[C@H]1C(N)=O)S(C)(=O)=O ZINC000445789827 530395420 /nfs/dbraw/zinc/39/54/20/530395420.db2.gz KVWKVXSAKJIFHZ-KGLIPLIRSA-N 0 3 376.523 -0.204 20 0 GBADHN CC(C)N(CCCNC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O)S(C)(=O)=O ZINC000445789866 530395513 /nfs/dbraw/zinc/39/55/13/530395513.db2.gz KVWKVXSAKJIFHZ-UONOGXRCSA-N 0 3 376.523 -0.204 20 0 GBADHN CC(C)N(CCCNC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O)S(C)(=O)=O ZINC000445789867 530395443 /nfs/dbraw/zinc/39/54/43/530395443.db2.gz KVWKVXSAKJIFHZ-ZIAGYGMSSA-N 0 3 376.523 -0.204 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000445790317 1073582054 /nfs/dbraw/zinc/58/20/54/1073582054.db2.gz LZHYQDAMICDJHM-NEPJUHHUSA-N 0 3 384.458 -0.085 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000445790325 1073583406 /nfs/dbraw/zinc/58/34/06/1073583406.db2.gz LZHYQDAMICDJHM-NWDGAFQWSA-N 0 3 384.458 -0.085 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000445790327 1073583080 /nfs/dbraw/zinc/58/30/80/1073583080.db2.gz LZHYQDAMICDJHM-RYUDHWBXSA-N 0 3 384.458 -0.085 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000445790329 1073583012 /nfs/dbraw/zinc/58/30/12/1073583012.db2.gz LZHYQDAMICDJHM-VXGBXAGGSA-N 0 3 384.458 -0.085 20 0 GBADHN COCCN(C(=O)CN[C@@H]1CCCC[C@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000445793539 530395465 /nfs/dbraw/zinc/39/54/65/530395465.db2.gz JSGYCQDGFABIJI-BFHYXJOUSA-N 0 3 375.491 -0.718 20 0 GBADHN COCCN(C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000445793540 530395312 /nfs/dbraw/zinc/39/53/12/530395312.db2.gz JSGYCQDGFABIJI-HZSPNIEDSA-N 0 3 375.491 -0.718 20 0 GBADHN COCCN(C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000445793541 530395471 /nfs/dbraw/zinc/39/54/71/530395471.db2.gz JSGYCQDGFABIJI-MELADBBJSA-N 0 3 375.491 -0.718 20 0 GBADHN COCCN(C(=O)CN[C@@H]1CCCC[C@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000445793542 530395298 /nfs/dbraw/zinc/39/52/98/530395298.db2.gz JSGYCQDGFABIJI-MGPQQGTHSA-N 0 3 375.491 -0.718 20 0 GBADHN CCN1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445850389 1073584403 /nfs/dbraw/zinc/58/44/03/1073584403.db2.gz SMDJYOXUVCLHRN-AWEZNQCLSA-N 0 3 386.522 -0.769 20 0 GBADHN CCN1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445850390 1073584093 /nfs/dbraw/zinc/58/40/93/1073584093.db2.gz SMDJYOXUVCLHRN-CQSZACIVSA-N 0 3 386.522 -0.769 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000445917552 1073585934 /nfs/dbraw/zinc/58/59/34/1073585934.db2.gz PYBMWJWKBABBBW-UHFFFAOYSA-N 0 3 382.486 -0.037 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000445917824 1073585657 /nfs/dbraw/zinc/58/56/57/1073585657.db2.gz VLXYQJBIKBFPQT-UHFFFAOYSA-N 0 3 379.465 -0.361 20 0 GBADHN COc1cc(NC(=O)C(=O)N(C)CCN(C)C)ccc1S(=O)(=O)N(C)C ZINC000445919050 1073586329 /nfs/dbraw/zinc/58/63/29/1073586329.db2.gz GUZKKSCDLJMYIG-UHFFFAOYSA-N 0 3 386.474 -0.096 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000445919453 1073586220 /nfs/dbraw/zinc/58/62/20/1073586220.db2.gz KJMDSYACKZTRIX-UHFFFAOYSA-N 0 3 399.517 -0.039 20 0 GBADHN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000445919481 1073585993 /nfs/dbraw/zinc/58/59/93/1073585993.db2.gz KYYRSVNCCVSWFQ-UHFFFAOYSA-N 0 3 386.474 -0.430 20 0 GBADHN COC(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C)cc(S(C)(=O)=O)c1 ZINC000445921606 1073585774 /nfs/dbraw/zinc/58/57/74/1073585774.db2.gz KEWMJBVMJRITIV-UHFFFAOYSA-N 0 3 385.442 -0.165 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000445932100 1073587150 /nfs/dbraw/zinc/58/71/50/1073587150.db2.gz JVGKNBZIDRUJOJ-UHFFFAOYSA-N 0 3 382.486 -0.120 20 0 GBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCN(C)C)CC2 ZINC000445934402 1073586805 /nfs/dbraw/zinc/58/68/05/1073586805.db2.gz JNYDYWQSQQANFK-UHFFFAOYSA-N 0 3 382.486 -0.106 20 0 GBADHN C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCN(C)C)cn2)C[C@H](C)O1 ZINC000445939846 1073588258 /nfs/dbraw/zinc/58/82/58/1073588258.db2.gz XLEZHGHWQDEYMA-KBPBESRZSA-N 0 3 394.476 -0.523 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCN(C)C)cn2)C[C@H](C)O1 ZINC000445939847 1073588160 /nfs/dbraw/zinc/58/81/60/1073588160.db2.gz XLEZHGHWQDEYMA-OKILXGFUSA-N 0 3 394.476 -0.523 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCN(C)C)cn2)C[C@@H](C)O1 ZINC000445939848 1073588073 /nfs/dbraw/zinc/58/80/73/1073588073.db2.gz XLEZHGHWQDEYMA-ZIAGYGMSSA-N 0 3 394.476 -0.523 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)CN1CCN(C)CC1 ZINC000445984928 1073589290 /nfs/dbraw/zinc/58/92/90/1073589290.db2.gz FGTJDANVGHMGGR-KBPBESRZSA-N 0 3 386.522 -0.913 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)CN1CCN(C)CC1 ZINC000445984929 1073588739 /nfs/dbraw/zinc/58/87/39/1073588739.db2.gz FGTJDANVGHMGGR-KGLIPLIRSA-N 0 3 386.522 -0.913 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000445984930 1073589183 /nfs/dbraw/zinc/58/91/83/1073589183.db2.gz FGTJDANVGHMGGR-UONOGXRCSA-N 0 3 386.522 -0.913 20 0 GBADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)CN1CCN(C)CC1 ZINC000445984931 1073589585 /nfs/dbraw/zinc/58/95/85/1073589585.db2.gz FGTJDANVGHMGGR-ZIAGYGMSSA-N 0 3 386.522 -0.913 20 0 GBADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445991571 1073588850 /nfs/dbraw/zinc/58/88/50/1073588850.db2.gz MCXNZONHAIHQCP-KBPBESRZSA-N 0 3 386.522 -0.771 20 0 GBADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445991572 1073589205 /nfs/dbraw/zinc/58/92/05/1073589205.db2.gz MCXNZONHAIHQCP-KGLIPLIRSA-N 0 3 386.522 -0.771 20 0 GBADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445991573 1073590105 /nfs/dbraw/zinc/59/01/05/1073590105.db2.gz MCXNZONHAIHQCP-UONOGXRCSA-N 0 3 386.522 -0.771 20 0 GBADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445991575 1073590044 /nfs/dbraw/zinc/59/00/44/1073590044.db2.gz MCXNZONHAIHQCP-ZIAGYGMSSA-N 0 3 386.522 -0.771 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000446052728 1073592585 /nfs/dbraw/zinc/59/25/85/1073592585.db2.gz NBCAUEUEASTUHF-AWEZNQCLSA-N 0 3 386.522 -0.817 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000446052729 1073592234 /nfs/dbraw/zinc/59/22/34/1073592234.db2.gz NBCAUEUEASTUHF-CQSZACIVSA-N 0 3 386.522 -0.817 20 0 GBADHN CN(CC(=O)N1CCN(C(=O)CN(C)CC2(CO)CC2)CC1)CC1(CO)CC1 ZINC000446066092 1073592549 /nfs/dbraw/zinc/59/25/49/1073592549.db2.gz HWTXGBRTMUXKCX-UHFFFAOYSA-N 0 3 396.532 -0.934 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000446182274 1073596566 /nfs/dbraw/zinc/59/65/66/1073596566.db2.gz FITVNPFVSAOLLP-KBPBESRZSA-N 0 3 387.506 -0.344 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000446182275 1073596678 /nfs/dbraw/zinc/59/66/78/1073596678.db2.gz FITVNPFVSAOLLP-KGLIPLIRSA-N 0 3 387.506 -0.344 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000446182276 1073596656 /nfs/dbraw/zinc/59/66/56/1073596656.db2.gz FITVNPFVSAOLLP-UONOGXRCSA-N 0 3 387.506 -0.344 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000446182277 1073596490 /nfs/dbraw/zinc/59/64/90/1073596490.db2.gz FITVNPFVSAOLLP-ZIAGYGMSSA-N 0 3 387.506 -0.344 20 0 GBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446199245 1073598042 /nfs/dbraw/zinc/59/80/42/1073598042.db2.gz CYUKQZYCRRQBBF-BIENJYKASA-N 0 3 380.489 -0.286 20 0 GBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446199246 1073598122 /nfs/dbraw/zinc/59/81/22/1073598122.db2.gz CYUKQZYCRRQBBF-CKFHNAJUSA-N 0 3 380.489 -0.286 20 0 GBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446199247 1073597894 /nfs/dbraw/zinc/59/78/94/1073597894.db2.gz CYUKQZYCRRQBBF-IQUTYRLHSA-N 0 3 380.489 -0.286 20 0 GBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446199248 1073597626 /nfs/dbraw/zinc/59/76/26/1073597626.db2.gz CYUKQZYCRRQBBF-PJIJBLCYSA-N 0 3 380.489 -0.286 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446257994 1073601063 /nfs/dbraw/zinc/60/10/63/1073601063.db2.gz INOQIOMNURLKGI-MDYRTPRTSA-N 0 3 394.516 -0.478 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446257999 1073600934 /nfs/dbraw/zinc/60/09/34/1073600934.db2.gz INOQIOMNURLKGI-VPWXQRGCSA-N 0 3 394.516 -0.478 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446258001 1073601449 /nfs/dbraw/zinc/60/14/49/1073601449.db2.gz INOQIOMNURLKGI-WRWLIDTKSA-N 0 3 394.516 -0.478 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446258003 1073601479 /nfs/dbraw/zinc/60/14/79/1073601479.db2.gz INOQIOMNURLKGI-XAUMDUMWSA-N 0 3 394.516 -0.478 20 0 GBADHN COCCNC(=O)CN1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446262755 1073602345 /nfs/dbraw/zinc/60/23/45/1073602345.db2.gz PFNYAGRFNOLWHV-IDHHARJASA-N 0 3 382.505 -0.574 20 0 GBADHN COCCNC(=O)CN1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446262756 1073602711 /nfs/dbraw/zinc/60/27/11/1073602711.db2.gz PFNYAGRFNOLWHV-SIXWZSSISA-N 0 3 382.505 -0.574 20 0 GBADHN COCCNC(=O)CN1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446262757 1073602287 /nfs/dbraw/zinc/60/22/87/1073602287.db2.gz PFNYAGRFNOLWHV-URLQWDBASA-N 0 3 382.505 -0.574 20 0 GBADHN COCCNC(=O)CN1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446262758 1073602063 /nfs/dbraw/zinc/60/20/63/1073602063.db2.gz PFNYAGRFNOLWHV-ZSZQSSIHSA-N 0 3 382.505 -0.574 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265040 1073603180 /nfs/dbraw/zinc/60/31/80/1073603180.db2.gz BOJXQUSKXDDEOB-MDYRTPRTSA-N 0 3 394.516 -0.478 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265041 1073603092 /nfs/dbraw/zinc/60/30/92/1073603092.db2.gz BOJXQUSKXDDEOB-VPWXQRGCSA-N 0 3 394.516 -0.478 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265042 1073603681 /nfs/dbraw/zinc/60/36/81/1073603681.db2.gz BOJXQUSKXDDEOB-WRWLIDTKSA-N 0 3 394.516 -0.478 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265043 1073603219 /nfs/dbraw/zinc/60/32/19/1073603219.db2.gz BOJXQUSKXDDEOB-XAUMDUMWSA-N 0 3 394.516 -0.478 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1C[C@H](F)CN1 ZINC000446273496 1073602699 /nfs/dbraw/zinc/60/26/99/1073602699.db2.gz ARPULSGJHATRFL-UONOGXRCSA-N 0 3 385.465 -0.650 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000446292935 1073603659 /nfs/dbraw/zinc/60/36/59/1073603659.db2.gz KVOHKVQVWJUISC-CRFBAAHOSA-N 0 3 391.472 0.213 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000446292936 1073603160 /nfs/dbraw/zinc/60/31/60/1073603160.db2.gz KVOHKVQVWJUISC-NRXGSXMXSA-N 0 3 391.472 0.213 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000446292937 1073603668 /nfs/dbraw/zinc/60/36/68/1073603668.db2.gz KVOHKVQVWJUISC-URKNILKWSA-N 0 3 391.472 0.213 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000446292938 1073603397 /nfs/dbraw/zinc/60/33/97/1073603397.db2.gz KVOHKVQVWJUISC-VVFCZOMOSA-N 0 3 391.472 0.213 20 0 GBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[C@@H](CO)C3)cc21 ZINC000446302314 1073603049 /nfs/dbraw/zinc/60/30/49/1073603049.db2.gz LXQOZIQHWBGNLP-GFCCVEGCSA-N 0 3 376.413 -0.065 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000446365732 1073606181 /nfs/dbraw/zinc/60/61/81/1073606181.db2.gz BJMHZBHVQPHQSA-COCVIAQXSA-N 0 3 394.516 -0.432 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000446365733 1073606395 /nfs/dbraw/zinc/60/63/95/1073606395.db2.gz BJMHZBHVQPHQSA-DOHHPOSVSA-N 0 3 394.516 -0.432 20 0 GBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000446365734 1073606061 /nfs/dbraw/zinc/60/60/61/1073606061.db2.gz BJMHZBHVQPHQSA-JTWUUNPKSA-N 0 3 394.516 -0.432 20 0 GBADHN 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396.492 -0.894 20 0 GBADHN CNc1nc(NC[C@@H]2CCOC[C@@H]2OC)nc(NC[C@@H]2CCOC[C@H]2OC)n1 ZINC000450693621 1073753675 /nfs/dbraw/zinc/75/36/75/1073753675.db2.gz BXHVKNYYOLDRAZ-ZQDZILKHSA-N 0 3 396.492 -0.894 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(NCc2nn(C)cc2Br)n1 ZINC000450728523 530398952 /nfs/dbraw/zinc/39/89/52/530398952.db2.gz PBDBWCVCEFIYTC-UHFFFAOYSA-N 0 3 385.270 -0.530 20 0 GBADHN COC(=O)c1n[nH]c2c1CN(c1nc(NCCO)nc(NC(C)C)n1)CC2 ZINC000450817671 1073757345 /nfs/dbraw/zinc/75/73/45/1073757345.db2.gz GDVBRAROPBTKIM-UHFFFAOYSA-N 0 3 376.421 -0.988 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@@H](c3ccnn3C)C2)n1 ZINC000450840004 1073758404 /nfs/dbraw/zinc/75/84/04/1073758404.db2.gz IGDRHSVWLXQNHX-GXTWGEPZSA-N 0 3 376.465 -0.573 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@H](c3ccnn3C)C2)n1 ZINC000450840005 1073758162 /nfs/dbraw/zinc/75/81/62/1073758162.db2.gz IGDRHSVWLXQNHX-JSGCOSHPSA-N 0 3 376.465 -0.573 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@H](c3ccnn3C)C2)n1 ZINC000450840006 1073758293 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380.493 -0.131 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](c2nc[nH]n2)c2ccccc2)n1 ZINC000450870521 1073758530 /nfs/dbraw/zinc/75/85/30/1073758530.db2.gz FAAQWSUTMLTBTO-AWEZNQCLSA-N 0 3 383.460 -0.276 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](c2nc[nH]n2)c2ccccc2)n1 ZINC000450870522 1073758399 /nfs/dbraw/zinc/75/83/99/1073758399.db2.gz FAAQWSUTMLTBTO-CQSZACIVSA-N 0 3 383.460 -0.276 20 0 GBADHN COCCNc1nc(NC[C@@H]2CCC[C@H]2O)nc(NC[C@@H]2CCC[C@H]2O)n1 ZINC000450917110 1073759733 /nfs/dbraw/zinc/75/97/33/1073759733.db2.gz XLDFSXRZUWEELV-BYNSBNAKSA-N 0 3 380.493 -0.659 20 0 GBADHN O[C@@H](CNc1nc(NC[C@@H](O)C2CCC2)nc(N2CCOCC2)n1)C1CCC1 ZINC000450920338 1073759382 /nfs/dbraw/zinc/75/93/82/1073759382.db2.gz WBKKHSPAEVAAMM-IYBDPMFKSA-N 0 3 392.504 -0.302 20 0 GBADHN COc1ccc(N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)nc1 ZINC000450930902 1073759617 /nfs/dbraw/zinc/75/96/17/1073759617.db2.gz OBAYXPOEGVOSKX-UHFFFAOYSA-N 0 3 388.476 -0.330 20 0 GBADHN CC[C@@H](Nc1nc(N[C@@H](CC)C(=O)NC)nc(NC(C)(C)C)n1)C(=O)NC 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376.465 -0.573 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@H](c3nccn3C)C2)n1 ZINC000450952398 1073761523 /nfs/dbraw/zinc/76/15/23/1073761523.db2.gz SSMUMSKUPMVCEF-OLZOCXBDSA-N 0 3 376.465 -0.573 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@@H](c3nccn3C)C2)n1 ZINC000450952399 1073760936 /nfs/dbraw/zinc/76/09/36/1073760936.db2.gz SSMUMSKUPMVCEF-QWHCGFSZSA-N 0 3 376.465 -0.573 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@H](c3nccn3C)C2)n1 ZINC000450952400 1073761528 /nfs/dbraw/zinc/76/15/28/1073761528.db2.gz SSMUMSKUPMVCEF-STQMWFEESA-N 0 3 376.465 -0.573 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000450992208 530399497 /nfs/dbraw/zinc/39/94/97/530399497.db2.gz YIWXCYGASCATPG-JTQLQIEISA-N 0 3 390.380 -0.009 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000450992218 530399334 /nfs/dbraw/zinc/39/93/34/530399334.db2.gz YIWXCYGASCATPG-SNVBAGLBSA-N 0 3 390.380 -0.009 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000451005234 530399531 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1073772418 /nfs/dbraw/zinc/77/24/18/1073772418.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 0 3 385.505 -0.029 20 0 GBADHN COC[C@@]1(C(=O)OC)CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 ZINC000451327553 1073771875 /nfs/dbraw/zinc/77/18/75/1073771875.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 0 3 385.505 -0.029 20 0 GBADHN COC[C@@]1(C(=O)OC)CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 ZINC000451327554 1073772227 /nfs/dbraw/zinc/77/22/27/1073772227.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 0 3 385.505 -0.029 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000451348882 530399954 /nfs/dbraw/zinc/39/99/54/530399954.db2.gz XUZBGRLWGCPVLO-HTQZYQBOSA-N 0 3 382.382 -0.437 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000451348883 530399770 /nfs/dbraw/zinc/39/97/70/530399770.db2.gz XUZBGRLWGCPVLO-JGVFFNPUSA-N 0 3 382.382 -0.437 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000451348884 530399916 /nfs/dbraw/zinc/39/99/16/530399916.db2.gz XUZBGRLWGCPVLO-SFYZADRCSA-N 0 3 382.382 -0.437 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000451348885 530399999 /nfs/dbraw/zinc/39/99/99/530399999.db2.gz XUZBGRLWGCPVLO-YUMQZZPRSA-N 0 3 382.382 -0.437 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCOC)C(=O)C1 ZINC000451356481 530400006 /nfs/dbraw/zinc/40/00/06/530400006.db2.gz AUHVDUYJFZLYED-JTQLQIEISA-N 0 3 390.380 -0.009 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCOC)C(=O)C1 ZINC000451356482 530399725 /nfs/dbraw/zinc/39/97/25/530399725.db2.gz AUHVDUYJFZLYED-SNVBAGLBSA-N 0 3 390.380 -0.009 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000451356957 530399846 /nfs/dbraw/zinc/39/98/46/530399846.db2.gz FNHMEGZVLYBVDE-NXEZZACHSA-N 0 3 390.380 -0.275 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000451356958 530399985 /nfs/dbraw/zinc/39/99/85/530399985.db2.gz FNHMEGZVLYBVDE-UWVGGRQHSA-N 0 3 390.380 -0.275 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000451356959 530399782 /nfs/dbraw/zinc/39/97/82/530399782.db2.gz FNHMEGZVLYBVDE-VHSXEESVSA-N 0 3 390.380 -0.275 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000451356960 530399883 /nfs/dbraw/zinc/39/98/83/530399883.db2.gz FNHMEGZVLYBVDE-ZJUUUORDSA-N 0 3 390.380 -0.275 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000451376375 530399857 /nfs/dbraw/zinc/39/98/57/530399857.db2.gz NXJBWXCGUPXUEO-SECBINFHSA-N 0 3 376.353 -0.663 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000451376388 530399907 /nfs/dbraw/zinc/39/99/07/530399907.db2.gz NXJBWXCGUPXUEO-VIFPVBQESA-N 0 3 376.353 -0.663 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000451377466 530399878 /nfs/dbraw/zinc/39/98/78/530399878.db2.gz NOZGTSNKNJWXCU-BDAKNGLRSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000451377467 530399745 /nfs/dbraw/zinc/39/97/45/530399745.db2.gz NOZGTSNKNJWXCU-DTWKUNHWSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000451377468 530399885 /nfs/dbraw/zinc/39/98/85/530399885.db2.gz NOZGTSNKNJWXCU-IUCAKERBSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000451377469 530399881 /nfs/dbraw/zinc/39/98/81/530399881.db2.gz NOZGTSNKNJWXCU-RKDXNWHRSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000451378742 530399805 /nfs/dbraw/zinc/39/98/05/530399805.db2.gz PHVBBBGPNJWISJ-BDAKNGLRSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000451378743 530399874 /nfs/dbraw/zinc/39/98/74/530399874.db2.gz PHVBBBGPNJWISJ-DTWKUNHWSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000451378744 530399904 /nfs/dbraw/zinc/39/99/04/530399904.db2.gz PHVBBBGPNJWISJ-IUCAKERBSA-N 0 3 396.409 -0.047 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000451378745 530399980 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CO[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1C ZINC000451537031 1073286871 /nfs/dbraw/zinc/28/68/71/1073286871.db2.gz CENJPMZGYVJWLI-DLBZAZTESA-N 0 3 382.505 -0.654 20 0 GBADHN CO[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000451537032 1073286835 /nfs/dbraw/zinc/28/68/35/1073286835.db2.gz CENJPMZGYVJWLI-IAGOWNOFSA-N 0 3 382.505 -0.654 20 0 GBADHN CO[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1C ZINC000451537033 1073286907 /nfs/dbraw/zinc/28/69/07/1073286907.db2.gz CENJPMZGYVJWLI-IRXDYDNUSA-N 0 3 382.505 -0.654 20 0 GBADHN CO[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000451537034 1073287052 /nfs/dbraw/zinc/28/70/52/1073287052.db2.gz CENJPMZGYVJWLI-SJORKVTESA-N 0 3 382.505 -0.654 20 0 GBADHN CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000451741511 530400843 /nfs/dbraw/zinc/40/08/43/530400843.db2.gz OQICZDMNSUADJK-CYBMUJFWSA-N 0 3 395.551 -0.332 20 0 GBADHN CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000451741512 530401169 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O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452378091 1073799029 /nfs/dbraw/zinc/79/90/29/1073799029.db2.gz VAZXZHSKHKIMIG-IAGOWNOFSA-N 0 3 382.505 -0.870 20 0 GBADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452378092 1073798270 /nfs/dbraw/zinc/79/82/70/1073798270.db2.gz VAZXZHSKHKIMIG-IRXDYDNUSA-N 0 3 382.505 -0.870 20 0 GBADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452378094 1073798815 /nfs/dbraw/zinc/79/88/15/1073798815.db2.gz VAZXZHSKHKIMIG-SJORKVTESA-N 0 3 382.505 -0.870 20 0 GBADHN COCCn1cc(N2C[C@H](C(=O)NC[C@@H]3CCCCN3CCO)CC2=O)cn1 ZINC000452381808 1073797285 /nfs/dbraw/zinc/79/72/85/1073797285.db2.gz WPOOEVMSJMVVPB-CVEARBPZSA-N 0 3 393.488 -0.155 20 0 GBADHN COCCn1cc(N2C[C@@H](C(=O)NC[C@@H]3CCCCN3CCO)CC2=O)cn1 ZINC000452381809 1073797791 /nfs/dbraw/zinc/79/77/91/1073797791.db2.gz WPOOEVMSJMVVPB-HOTGVXAUSA-N 0 3 393.488 -0.155 20 0 GBADHN COCCn1cc(N2C[C@H](C(=O)NC[C@H]3CCCCN3CCO)CC2=O)cn1 ZINC000452381811 1073797781 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GBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1CCO ZINC000452390036 1073798659 /nfs/dbraw/zinc/79/86/59/1073798659.db2.gz NIFHXPWBKDCVDD-GXTWGEPZSA-N 0 3 388.490 -0.079 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452390037 1073798742 /nfs/dbraw/zinc/79/87/42/1073798742.db2.gz NIFHXPWBKDCVDD-JSGCOSHPSA-N 0 3 388.490 -0.079 20 0 GBADHN O=C(NC[C@H]1CCCCN1CCO)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452393767 1073798589 /nfs/dbraw/zinc/79/85/89/1073798589.db2.gz UBVRGRGOCLDMIU-DLBZAZTESA-N 0 3 382.505 -0.870 20 0 GBADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452393768 1073799001 /nfs/dbraw/zinc/79/90/01/1073799001.db2.gz UBVRGRGOCLDMIU-IAGOWNOFSA-N 0 3 382.505 -0.870 20 0 GBADHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452393769 1073798916 /nfs/dbraw/zinc/79/89/16/1073798916.db2.gz UBVRGRGOCLDMIU-IRXDYDNUSA-N 0 3 382.505 -0.870 20 0 GBADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000452393770 1073798188 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-0.050 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCC1(N(C)Cc2ccccc2)CCC1)S(N)(=O)=O ZINC000453903953 1073838004 /nfs/dbraw/zinc/83/80/04/1073838004.db2.gz RQTXJGARWCPDKK-CQSZACIVSA-N 0 3 396.513 -0.050 20 0 GBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1F ZINC000453911419 1073839348 /nfs/dbraw/zinc/83/93/48/1073839348.db2.gz COAPTDVGXORMEN-GXFFZTMASA-N 0 3 384.433 -0.165 20 0 GBADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C[C@@H]21 ZINC000453914028 1073839895 /nfs/dbraw/zinc/83/98/95/1073839895.db2.gz HNAGMUAWYCUHIG-WBVHZDCISA-N 0 3 385.468 -0.281 20 0 GBADHN CCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1S(N)(=O)=O ZINC000453925606 1073866123 /nfs/dbraw/zinc/86/61/23/1073866123.db2.gz YYXCADYJPYHJNA-GXTWGEPZSA-N 0 3 380.470 -0.003 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C[C@H](C)N1CCO ZINC000453932109 1073883459 /nfs/dbraw/zinc/88/34/59/1073883459.db2.gz KGXGVCQQPMCULM-PHIMTYICSA-N 0 3 388.428 -0.486 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](OC)C3)c2)CC1 ZINC000453963962 1073905466 /nfs/dbraw/zinc/90/54/66/1073905466.db2.gz FSJVFHAYYOGGOV-IAGOWNOFSA-N 0 3 376.457 -0.015 20 0 GBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](OC)C3)cc2)CC1 ZINC000453971723 1073916442 /nfs/dbraw/zinc/91/64/42/1073916442.db2.gz SXQDSTMCXFYUGN-QZTJIDSGSA-N 0 3 390.484 -0.019 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3COC[C@H]3O)c(C)c2)CC1 ZINC000453982033 1073918894 /nfs/dbraw/zinc/91/88/94/1073918894.db2.gz UNTIZANDNFEPFO-IAGOWNOFSA-N 0 3 376.457 -0.049 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457139315 530404817 /nfs/dbraw/zinc/40/48/17/530404817.db2.gz XXHJXLYWCWVWLX-AWEZNQCLSA-N 0 3 376.523 -0.238 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457139316 530404403 /nfs/dbraw/zinc/40/44/03/530404403.db2.gz XXHJXLYWCWVWLX-CQSZACIVSA-N 0 3 376.523 -0.238 20 0 GBADHN NS(=O)(=O)CCOCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457807079 530405576 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0 GBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000458235709 1072261044 /nfs/dbraw/zinc/26/10/44/1072261044.db2.gz VRUFIVGFKXGUSC-ZIAGYGMSSA-N 0 3 391.538 -0.444 20 0 GBADHN COCCN(C)CCNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000458249628 1072262662 /nfs/dbraw/zinc/26/26/62/1072262662.db2.gz ZGYAIXLNMOJTFR-HNNXBMFYSA-N 0 3 393.554 -0.181 20 0 GBADHN COCCN(C)CCNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000458249629 1072262951 /nfs/dbraw/zinc/26/29/51/1072262951.db2.gz ZGYAIXLNMOJTFR-OAHLLOKOSA-N 0 3 393.554 -0.181 20 0 GBADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1CCCN1CCCO ZINC000458354843 530405817 /nfs/dbraw/zinc/40/58/17/530405817.db2.gz BVRARDBAYNAEIR-HNNXBMFYSA-N 0 3 376.523 -0.148 20 0 GBADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1CCCN1CCCO ZINC000458354844 530405946 /nfs/dbraw/zinc/40/59/46/530405946.db2.gz BVRARDBAYNAEIR-OAHLLOKOSA-N 0 3 376.523 -0.148 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CCCN(CCCO)C1 ZINC000458360346 530406189 /nfs/dbraw/zinc/40/61/89/530406189.db2.gz KUVVYUDDCZANAH-AWEZNQCLSA-N 0 3 394.563 -0.489 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458360350 530406202 /nfs/dbraw/zinc/40/62/02/530406202.db2.gz KUVVYUDDCZANAH-CQSZACIVSA-N 0 3 394.563 -0.489 20 0 GBADHN O=C(NCCS(=O)(=O)NCC1CCC1)N[C@H]1CCCN(CCCO)C1 ZINC000458365064 530405922 /nfs/dbraw/zinc/40/59/22/530405922.db2.gz KTAFLCLUPSRHDP-HNNXBMFYSA-N 0 3 376.523 -0.148 20 0 GBADHN O=C(NCCS(=O)(=O)NCC1CCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458365065 530406015 /nfs/dbraw/zinc/40/60/15/530406015.db2.gz KTAFLCLUPSRHDP-OAHLLOKOSA-N 0 3 376.523 -0.148 20 0 GBADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1CCCCN1CCO ZINC000458367736 530405877 /nfs/dbraw/zinc/40/58/77/530405877.db2.gz NLHQWECUPOBWMS-HNNXBMFYSA-N 0 3 376.523 -0.148 20 0 GBADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1CCCCN1CCO ZINC000458367739 530406212 /nfs/dbraw/zinc/40/62/12/530406212.db2.gz NLHQWECUPOBWMS-OAHLLOKOSA-N 0 3 376.523 -0.148 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@H]1CCCCN1CCO ZINC000458368852 530405833 /nfs/dbraw/zinc/40/58/33/530405833.db2.gz RELRHCUNSBQXCO-AWEZNQCLSA-N 0 3 394.563 -0.489 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1CCCCN1CCO ZINC000458368853 530406032 /nfs/dbraw/zinc/40/60/32/530406032.db2.gz RELRHCUNSBQXCO-CQSZACIVSA-N 0 3 394.563 -0.489 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@H]1CCCN1CCCO ZINC000458369913 530405907 /nfs/dbraw/zinc/40/59/07/530405907.db2.gz SERGZHVVQHMQHV-AWEZNQCLSA-N 0 3 394.563 -0.489 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1CCCN1CCCO ZINC000458369914 530405980 /nfs/dbraw/zinc/40/59/80/530405980.db2.gz SERGZHVVQHMQHV-CQSZACIVSA-N 0 3 394.563 -0.489 20 0 GBADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000458459842 530405849 /nfs/dbraw/zinc/40/58/49/530405849.db2.gz OEXPYWVFFKHDSC-CABCVRRESA-N 0 3 377.555 -0.113 20 0 GBADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000458459844 530405990 /nfs/dbraw/zinc/40/59/90/530405990.db2.gz OEXPYWVFFKHDSC-GJZGRUSLSA-N 0 3 377.555 -0.113 20 0 GBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000458459846 530406207 /nfs/dbraw/zinc/40/62/07/530406207.db2.gz OEXPYWVFFKHDSC-HUUCEWRRSA-N 0 3 377.555 -0.113 20 0 GBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000458459848 530405841 /nfs/dbraw/zinc/40/58/41/530405841.db2.gz OEXPYWVFFKHDSC-LSDHHAIUSA-N 0 3 377.555 -0.113 20 0 GBADHN O=C(NCCNS(=O)(=O)c1cccnc1)N[C@H]1CCCN(CCCO)C1 ZINC000458563388 1072468247 /nfs/dbraw/zinc/46/82/47/1072468247.db2.gz DMXYDVCTUFBCJY-AWEZNQCLSA-N 0 3 385.490 -0.494 20 0 GBADHN O=C(NCCNS(=O)(=O)c1cccnc1)N[C@@H]1CCCN(CCCO)C1 ZINC000458563391 1072468262 /nfs/dbraw/zinc/46/82/62/1072468262.db2.gz DMXYDVCTUFBCJY-CQSZACIVSA-N 0 3 385.490 -0.494 20 0 GBADHN O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@@H]1CCCCN1CCO ZINC000458563595 1072468421 /nfs/dbraw/zinc/46/84/21/1072468421.db2.gz DXNHYZXNAJIFRG-AWEZNQCLSA-N 0 3 385.490 -0.494 20 0 GBADHN O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@H]1CCCCN1CCO ZINC000458563597 1072468318 /nfs/dbraw/zinc/46/83/18/1072468318.db2.gz DXNHYZXNAJIFRG-CQSZACIVSA-N 0 3 385.490 -0.494 20 0 GBADHN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCCN(CCCO)C1 ZINC000458648092 1072498207 /nfs/dbraw/zinc/49/82/07/1072498207.db2.gz GTRSDYUPNSSFNX-AWEZNQCLSA-N 0 3 381.477 -0.003 20 0 GBADHN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458648097 1072498409 /nfs/dbraw/zinc/49/84/09/1072498409.db2.gz GTRSDYUPNSSFNX-CQSZACIVSA-N 0 3 381.477 -0.003 20 0 GBADHN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCCCN1CCO ZINC000458650794 1072498336 /nfs/dbraw/zinc/49/83/36/1072498336.db2.gz IPVJBVGAETVWQF-AWEZNQCLSA-N 0 3 381.477 -0.003 20 0 GBADHN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CCCCN1CCO ZINC000458650795 1072498371 /nfs/dbraw/zinc/49/83/71/1072498371.db2.gz IPVJBVGAETVWQF-CQSZACIVSA-N 0 3 381.477 -0.003 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458735441 530406130 /nfs/dbraw/zinc/40/61/30/530406130.db2.gz HLJPUNDMBFUJKW-KKUMJFAQSA-N 0 3 376.523 -0.150 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458735447 530405967 /nfs/dbraw/zinc/40/59/67/530405967.db2.gz HLJPUNDMBFUJKW-RRFJBIMHSA-N 0 3 376.523 -0.150 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458735450 530405893 /nfs/dbraw/zinc/40/58/93/530405893.db2.gz HLJPUNDMBFUJKW-SOUVJXGZSA-N 0 3 376.523 -0.150 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458735454 530406221 /nfs/dbraw/zinc/40/62/21/530406221.db2.gz HLJPUNDMBFUJKW-ZNMIVQPWSA-N 0 3 376.523 -0.150 20 0 GBADHN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458745469 530405972 /nfs/dbraw/zinc/40/59/72/530405972.db2.gz DMNIUBRBOJHNNU-CABCVRRESA-N 0 3 376.523 -0.054 20 0 GBADHN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458745473 530405808 /nfs/dbraw/zinc/40/58/08/530405808.db2.gz DMNIUBRBOJHNNU-GJZGRUSLSA-N 0 3 376.523 -0.054 20 0 GBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458745475 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ZINC000471646689 530416914 /nfs/dbraw/zinc/41/69/14/530416914.db2.gz WPSLSHKMYIXHDQ-UHFFFAOYSA-N 0 3 391.515 -0.016 20 0 GBADHN CN(C)CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000471646811 530416885 /nfs/dbraw/zinc/41/68/85/530416885.db2.gz MZOZYKTUQUZCHM-UHFFFAOYSA-N 0 3 379.504 -0.207 20 0 GBADHN CCN1CCN(CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000471751904 1072182332 /nfs/dbraw/zinc/18/23/32/1072182332.db2.gz VOLYJCDIVHWVNH-ZWKOTPCHSA-N 0 3 392.504 -0.538 20 0 GBADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000471942038 1072243547 /nfs/dbraw/zinc/24/35/47/1072243547.db2.gz IIYVEYBNODLSSM-CYBMUJFWSA-N 0 3 386.456 -0.039 20 0 GBADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000471942041 1072243589 /nfs/dbraw/zinc/24/35/89/1072243589.db2.gz IIYVEYBNODLSSM-ZDUSSCGKSA-N 0 3 386.456 -0.039 20 0 GBADHN CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000472068376 1072293237 /nfs/dbraw/zinc/29/32/37/1072293237.db2.gz 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C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000472280201 1072433343 /nfs/dbraw/zinc/43/33/43/1072433343.db2.gz QFQFRMYFMCEKSA-HIFRSBDPSA-N 0 3 396.513 -0.031 20 0 GBADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000472280204 1072433475 /nfs/dbraw/zinc/43/34/75/1072433475.db2.gz QFQFRMYFMCEKSA-UKRRQHHQSA-N 0 3 396.513 -0.031 20 0 GBADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000472280207 1072433519 /nfs/dbraw/zinc/43/35/19/1072433519.db2.gz QFQFRMYFMCEKSA-ZFWWWQNUSA-N 0 3 396.513 -0.031 20 0 GBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472281503 1072436118 /nfs/dbraw/zinc/43/61/18/1072436118.db2.gz VEBWQAGFNAGZEX-HNNXBMFYSA-N 0 3 381.521 -0.367 20 0 GBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472281509 1072434905 /nfs/dbraw/zinc/43/49/05/1072434905.db2.gz VEBWQAGFNAGZEX-OAHLLOKOSA-N 0 3 381.521 -0.367 20 0 GBADHN CCN(CC)CC(=O)N1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1 ZINC000472607953 530417730 /nfs/dbraw/zinc/41/77/30/530417730.db2.gz XYYNFOCBPHKFRH-UHFFFAOYSA-N 0 3 375.520 -0.072 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1=O ZINC000472647190 1073114735 /nfs/dbraw/zinc/11/47/35/1073114735.db2.gz DPOKGHSRHBUTBG-IKGGRYGDSA-N 0 3 394.495 -0.141 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1=O ZINC000472647195 1073114818 /nfs/dbraw/zinc/11/48/18/1073114818.db2.gz DPOKGHSRHBUTBG-ULQDDVLXSA-N 0 3 394.495 -0.141 20 0 GBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000472699217 1073145756 /nfs/dbraw/zinc/14/57/56/1073145756.db2.gz QFDCIHHXVDWLOU-UHFFFAOYSA-N 0 3 375.429 -0.104 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472741520 530417982 /nfs/dbraw/zinc/41/79/82/530417982.db2.gz TWDIEVKBFKTIOM-HNNXBMFYSA-N 0 3 378.539 -0.527 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472741528 530417967 /nfs/dbraw/zinc/41/79/67/530417967.db2.gz TWDIEVKBFKTIOM-OAHLLOKOSA-N 0 3 378.539 -0.527 20 0 GBADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1=O ZINC000472777201 1073184006 /nfs/dbraw/zinc/18/40/06/1073184006.db2.gz YNGXKDRIIUIPGR-CABCVRRESA-N 0 3 383.493 -0.524 20 0 GBADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1=O ZINC000472777204 1073184389 /nfs/dbraw/zinc/18/43/89/1073184389.db2.gz YNGXKDRIIUIPGR-GJZGRUSLSA-N 0 3 383.493 -0.524 20 0 GBADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1=O ZINC000472777206 1073184033 /nfs/dbraw/zinc/18/40/33/1073184033.db2.gz YNGXKDRIIUIPGR-HUUCEWRRSA-N 0 3 383.493 -0.524 20 0 GBADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1=O ZINC000472777207 1073184331 /nfs/dbraw/zinc/18/43/31/1073184331.db2.gz YNGXKDRIIUIPGR-LSDHHAIUSA-N 0 3 383.493 -0.524 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1nnnn1CC1CC1 ZINC000472786775 1073195127 /nfs/dbraw/zinc/19/51/27/1073195127.db2.gz KRAVUFRJBZCBLR-AWEZNQCLSA-N 0 3 378.481 -0.175 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1nnnn1CC1CC1 ZINC000472786776 1073194483 /nfs/dbraw/zinc/19/44/83/1073194483.db2.gz KRAVUFRJBZCBLR-CQSZACIVSA-N 0 3 378.481 -0.175 20 0 GBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472861001 530418236 /nfs/dbraw/zinc/41/82/36/530418236.db2.gz BLRLTKGLHLUZPA-HNNXBMFYSA-N 0 3 389.861 -0.135 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472861003 530418113 /nfs/dbraw/zinc/41/81/13/530418113.db2.gz BLRLTKGLHLUZPA-OAHLLOKOSA-N 0 3 389.861 -0.135 20 0 GBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472895029 1073221220 /nfs/dbraw/zinc/22/12/20/1073221220.db2.gz ATULYSXQPWBIPL-INIZCTEOSA-N 0 3 396.536 -0.608 20 0 GBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000472895030 1073221372 /nfs/dbraw/zinc/22/13/72/1073221372.db2.gz ATULYSXQPWBIPL-MRXNPFEDSA-N 0 3 396.536 -0.608 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000472898399 1073222533 /nfs/dbraw/zinc/22/25/33/1073222533.db2.gz DWFMEMYYCKAEEE-HNNXBMFYSA-N 0 3 398.533 -0.315 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000472898400 1073222106 /nfs/dbraw/zinc/22/21/06/1073222106.db2.gz DWFMEMYYCKAEEE-OAHLLOKOSA-N 0 3 398.533 -0.315 20 0 GBADHN CCN(CCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1)S(C)(=O)=O ZINC000472900453 530418072 /nfs/dbraw/zinc/41/80/72/530418072.db2.gz FEBREXYYAMIWQT-HNNXBMFYSA-N 0 3 377.555 -0.017 20 0 GBADHN CCN(CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1)S(C)(=O)=O ZINC000472900454 530418011 /nfs/dbraw/zinc/41/80/11/530418011.db2.gz FEBREXYYAMIWQT-OAHLLOKOSA-N 0 3 377.555 -0.017 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472907579 1073225605 /nfs/dbraw/zinc/22/56/05/1073225605.db2.gz GPKUJEPRPNHVAL-CVEARBPZSA-N 0 3 389.566 -0.017 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472907583 1073225403 /nfs/dbraw/zinc/22/54/03/1073225403.db2.gz GPKUJEPRPNHVAL-HOTGVXAUSA-N 0 3 389.566 -0.017 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472907585 1073225851 /nfs/dbraw/zinc/22/58/51/1073225851.db2.gz GPKUJEPRPNHVAL-HZPDHXFCSA-N 0 3 389.566 -0.017 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472907587 1073225633 /nfs/dbraw/zinc/22/56/33/1073225633.db2.gz GPKUJEPRPNHVAL-JKSUJKDBSA-N 0 3 389.566 -0.017 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472908762 530418183 /nfs/dbraw/zinc/41/81/83/530418183.db2.gz IYWIZXFTBGSRRI-HNNXBMFYSA-N 0 3 377.555 -0.017 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472908763 530418245 /nfs/dbraw/zinc/41/82/45/530418245.db2.gz IYWIZXFTBGSRRI-OAHLLOKOSA-N 0 3 377.555 -0.017 20 0 GBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472910291 1073224696 /nfs/dbraw/zinc/22/46/96/1073224696.db2.gz AWBRNQGGRUWXMX-INIZCTEOSA-N 0 3 396.536 -0.609 20 0 GBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000472910292 1073225758 /nfs/dbraw/zinc/22/57/58/1073225758.db2.gz AWBRNQGGRUWXMX-MRXNPFEDSA-N 0 3 396.536 -0.609 20 0 GBADHN CCN(CC)S(=O)(=O)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472912684 530418077 /nfs/dbraw/zinc/41/80/77/530418077.db2.gz CXQUXMBUXDISNK-HNNXBMFYSA-N 0 3 377.555 -0.017 20 0 GBADHN CCN(CC)S(=O)(=O)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472912686 530418060 /nfs/dbraw/zinc/41/80/60/530418060.db2.gz CXQUXMBUXDISNK-OAHLLOKOSA-N 0 3 377.555 -0.017 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472913376 530418155 /nfs/dbraw/zinc/41/81/55/530418155.db2.gz JKFYZIJDQXDFIT-CABCVRRESA-N 0 3 375.539 -0.264 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472913377 530418166 /nfs/dbraw/zinc/41/81/66/530418166.db2.gz JKFYZIJDQXDFIT-GJZGRUSLSA-N 0 3 375.539 -0.264 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472913378 530418102 /nfs/dbraw/zinc/41/81/02/530418102.db2.gz JKFYZIJDQXDFIT-HUUCEWRRSA-N 0 3 375.539 -0.264 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472913379 530418084 /nfs/dbraw/zinc/41/80/84/530418084.db2.gz JKFYZIJDQXDFIT-LSDHHAIUSA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000472925799 1073232305 /nfs/dbraw/zinc/23/23/05/1073232305.db2.gz NDSNGNJHIOUYFM-HNNXBMFYSA-N 0 3 394.520 -0.855 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000472925802 1073232443 /nfs/dbraw/zinc/23/24/43/1073232443.db2.gz NDSNGNJHIOUYFM-OAHLLOKOSA-N 0 3 394.520 -0.855 20 0 GBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000473032640 1073314355 /nfs/dbraw/zinc/31/43/55/1073314355.db2.gz GUWBYNVVRMQCSR-GOSISDBHSA-N 0 3 397.564 -0.445 20 0 GBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000473032641 1073314128 /nfs/dbraw/zinc/31/41/28/1073314128.db2.gz GUWBYNVVRMQCSR-SFHVURJKSA-N 0 3 397.564 -0.445 20 0 GBADHN CN(C)C(=O)CCN1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000473191840 1073582252 /nfs/dbraw/zinc/58/22/52/1073582252.db2.gz ANTGUWZPSCNPIO-UHFFFAOYSA-N 0 3 381.399 -0.140 20 0 GBADHN COC(=O)CC1(NCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCOCC1 ZINC000473287008 1073815302 /nfs/dbraw/zinc/81/53/02/1073815302.db2.gz IINZXRWJYOSTQO-UHFFFAOYSA-N 0 3 385.442 -0.026 20 0 GBADHN COC(=O)CC1(NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCOCC1 ZINC000473288357 1073815343 /nfs/dbraw/zinc/81/53/43/1073815343.db2.gz RLUMXFKACPJUDW-UHFFFAOYSA-N 0 3 385.442 -0.026 20 0 GBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3nnnn3C)c2)CC1 ZINC000473409960 1073831407 /nfs/dbraw/zinc/83/14/07/1073831407.db2.gz MDESSTAJQLGZBO-UHFFFAOYSA-N 0 3 386.460 -0.051 20 0 GBADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000473478230 1073881134 /nfs/dbraw/zinc/88/11/34/1073881134.db2.gz LLCXDOVQPFCAPP-CYBMUJFWSA-N 0 3 393.492 -0.368 20 0 GBADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473478231 1073881197 /nfs/dbraw/zinc/88/11/97/1073881197.db2.gz LLCXDOVQPFCAPP-ZDUSSCGKSA-N 0 3 393.492 -0.368 20 0 GBADHN COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cn1C ZINC000473482358 1073894484 /nfs/dbraw/zinc/89/44/84/1073894484.db2.gz KURNONVKHBLCFQ-CYBMUJFWSA-N 0 3 379.461 -0.108 20 0 GBADHN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cn1C ZINC000473482359 1073894356 /nfs/dbraw/zinc/89/43/56/1073894356.db2.gz KURNONVKHBLCFQ-ZDUSSCGKSA-N 0 3 379.461 -0.108 20 0 GBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)cc21 ZINC000473608950 1072979697 /nfs/dbraw/zinc/97/96/97/1072979697.db2.gz UQCTVNLGQXONLS-UHFFFAOYSA-N 0 3 399.411 -0.272 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cn1 ZINC000473696012 1073022848 /nfs/dbraw/zinc/02/28/48/1073022848.db2.gz NVCRLYZPUWSJIW-HNNXBMFYSA-N 0 3 395.508 -0.207 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cn1 ZINC000473696016 1073022715 /nfs/dbraw/zinc/02/27/15/1073022715.db2.gz NVCRLYZPUWSJIW-OAHLLOKOSA-N 0 3 395.508 -0.207 20 0 GBADHN O[C@@H]1CC[C@@H](CNc2nc(NC[C@H]3CC[C@@H](O)C3)nc(N3CCOCC3)n2)C1 ZINC000473705158 1073024487 /nfs/dbraw/zinc/02/44/87/1073024487.db2.gz JGGGEOAMZSEOSJ-QKPAOTATSA-N 0 3 392.504 -0.302 20 0 GBADHN O[C@@H]1CC[C@H](CNc2nc(NC[C@@H]3CC[C@H](O)C3)nc(N3CCOCC3)n2)C1 ZINC000473705159 1073024046 /nfs/dbraw/zinc/02/40/46/1073024046.db2.gz JGGGEOAMZSEOSJ-SYMSYNOKSA-N 0 3 392.504 -0.302 20 0 GBADHN O[C@@H]1CC[C@H](CNc2nc(NC[C@H]3CC[C@H](O)C3)nc(N3CCOCC3)n2)C1 ZINC000473705160 1073024610 /nfs/dbraw/zinc/02/46/10/1073024610.db2.gz JGGGEOAMZSEOSJ-YHUYYLMFSA-N 0 3 392.504 -0.302 20 0 GBADHN COCCNc1nc(NC[C@@H]2CC[C@H](O)C2)nc(NC[C@@H]2CC[C@H](O)C2)n1 ZINC000473717907 1073025438 /nfs/dbraw/zinc/02/54/38/1073025438.db2.gz NCAPNMAOKLFHQC-KBXIAJHMSA-N 0 3 380.493 -0.659 20 0 GBADHN COCCNc1nc(NC[C@@H]2CC[C@H](O)C2)nc(NC[C@H]2CC[C@@H](O)C2)n1 ZINC000473717913 1073025160 /nfs/dbraw/zinc/02/51/60/1073025160.db2.gz NCAPNMAOKLFHQC-PYHGIMPFSA-N 0 3 380.493 -0.659 20 0 GBADHN COCCNc1nc(NC[C@@H]2CC[C@@H](O)C2)nc(NC[C@@H]2CC[C@H](O)C2)n1 ZINC000473717916 1073024902 /nfs/dbraw/zinc/02/49/02/1073024902.db2.gz NCAPNMAOKLFHQC-TUVASFSCSA-N 0 3 380.493 -0.659 20 0 GBADHN COCCNc1nc(NC[C@@H]2CC[C@H](O)C2)nc(NC[C@H]2CC[C@H](O)C2)n1 ZINC000473717918 1073025193 /nfs/dbraw/zinc/02/51/93/1073025193.db2.gz NCAPNMAOKLFHQC-XGUBFFRZSA-N 0 3 380.493 -0.659 20 0 GBADHN CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)cn1 ZINC000473747151 1073027585 /nfs/dbraw/zinc/02/75/85/1073027585.db2.gz HVTKBILHYNXJPL-UHFFFAOYSA-N 0 3 398.485 -0.005 20 0 GBADHN CN1CCN(CCC(C)(C)NC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000473936417 1073126214 /nfs/dbraw/zinc/12/62/14/1073126214.db2.gz IADXKOIEBMQCDX-UHFFFAOYSA-N 0 3 377.493 -0.078 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000473963039 1073130497 /nfs/dbraw/zinc/13/04/97/1073130497.db2.gz BZMNMMFDGUYJTM-UHFFFAOYSA-N 0 3 396.536 -0.656 20 0 GBADHN CCNC(=O)N1CC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000473971697 1073131146 /nfs/dbraw/zinc/13/11/46/1073131146.db2.gz ONAJLNMKCCWGAT-INIZCTEOSA-N 0 3 384.525 -0.521 20 0 GBADHN CCNC(=O)N1CC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000473971702 1073131046 /nfs/dbraw/zinc/13/10/46/1073131046.db2.gz ONAJLNMKCCWGAT-MRXNPFEDSA-N 0 3 384.525 -0.521 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000474005358 1073192417 /nfs/dbraw/zinc/19/24/17/1073192417.db2.gz CJAKHFLCPGGYTF-HNNXBMFYSA-N 0 3 395.508 -0.349 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000474005359 1073192466 /nfs/dbraw/zinc/19/24/66/1073192466.db2.gz CJAKHFLCPGGYTF-OAHLLOKOSA-N 0 3 395.508 -0.349 20 0 GBADHN COC(=O)Cn1cc(CNC(=O)NC(C)(C)CCN2CCN(C)CC2)nn1 ZINC000474012503 1073199922 /nfs/dbraw/zinc/19/99/22/1073199922.db2.gz RSRDGPABZSGDNT-UHFFFAOYSA-N 0 3 381.481 -0.334 20 0 GBADHN COC(=O)CCN1CC[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C1=O ZINC000474023544 1073223602 /nfs/dbraw/zinc/22/36/02/1073223602.db2.gz QZTIOKUPGICGPP-HNNXBMFYSA-N 0 3 397.520 -0.134 20 0 GBADHN COC(=O)CCN1CC[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C1=O ZINC000474023545 1073223430 /nfs/dbraw/zinc/22/34/30/1073223430.db2.gz QZTIOKUPGICGPP-OAHLLOKOSA-N 0 3 397.520 -0.134 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000474076551 1073300737 /nfs/dbraw/zinc/30/07/37/1073300737.db2.gz SJPFYCKPFBBLGW-UHFFFAOYSA-N 0 3 378.481 -0.221 20 0 GBADHN CCNC(=O)N1CC[C@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000474198748 1073321398 /nfs/dbraw/zinc/32/13/98/1073321398.db2.gz HKSLJGVBCKUXQN-HNNXBMFYSA-N 0 3 382.509 -0.014 20 0 GBADHN CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000474198750 1073321750 /nfs/dbraw/zinc/32/17/50/1073321750.db2.gz HKSLJGVBCKUXQN-OAHLLOKOSA-N 0 3 382.509 -0.014 20 0 GBADHN CNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cn1 ZINC000474260777 1073323384 /nfs/dbraw/zinc/32/33/84/1073323384.db2.gz VENKJWHYHKDPFR-UHFFFAOYSA-N 0 3 399.517 -0.890 20 0 GBADHN CC(C)NC(=O)CCN1CCN(CCC(=O)NC(C)C)[C@H](C(=O)N(C)C)C1 ZINC000474293915 1073324872 /nfs/dbraw/zinc/32/48/72/1073324872.db2.gz STUOHBNVKJUHFG-INIZCTEOSA-N 0 3 383.537 -0.110 20 0 GBADHN CC(C)NC(=O)CCN1CCN(CCC(=O)NC(C)C)[C@@H](C(=O)N(C)C)C1 ZINC000474293916 1073324656 /nfs/dbraw/zinc/32/46/56/1073324656.db2.gz STUOHBNVKJUHFG-MRXNPFEDSA-N 0 3 383.537 -0.110 20 0 GBADHN COc1cnccc1N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000474340262 1073325321 /nfs/dbraw/zinc/32/53/21/1073325321.db2.gz ZYPISDIFWOBAFN-UHFFFAOYSA-N 0 3 376.417 -0.136 20 0 GBADHN COc1cnccc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000474554499 1073331251 /nfs/dbraw/zinc/33/12/51/1073331251.db2.gz JKQJFFGKUGALBA-CYBMUJFWSA-N 0 3 384.458 -0.265 20 0 GBADHN COc1cnccc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000474554507 1073331300 /nfs/dbraw/zinc/33/13/00/1073331300.db2.gz JKQJFFGKUGALBA-ZDUSSCGKSA-N 0 3 384.458 -0.265 20 0 GBADHN COC(=O)Cn1cc(CNC(=O)N2CCN(c3ccncc3OC)CC2)nn1 ZINC000474554806 1073331013 /nfs/dbraw/zinc/33/10/13/1073331013.db2.gz CKGDXTBHHFLYQG-UHFFFAOYSA-N 0 3 389.416 -0.114 20 0 GBADHN CCS(=O)(=O)NCCCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000474584586 530419231 /nfs/dbraw/zinc/41/92/31/530419231.db2.gz SXEJSNQIUPBZIA-UHFFFAOYSA-N 0 3 395.551 -0.331 20 0 GBADHN COc1ncc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1C(N)=O ZINC000474591498 1073332741 /nfs/dbraw/zinc/33/27/41/1073332741.db2.gz AUBSRPPJFFLWBZ-UHFFFAOYSA-N 0 3 394.476 -0.299 20 0 GBADHN COc1ncc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1C(N)=O ZINC000474599683 1073333509 /nfs/dbraw/zinc/33/35/09/1073333509.db2.gz RVPGVHYBKVMRLQ-UHFFFAOYSA-N 0 3 390.444 -0.039 20 0 GBADHN COc1cnccc1N1CCN(C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000474681962 1073338164 /nfs/dbraw/zinc/33/81/64/1073338164.db2.gz YRYUTDYFMXMUPV-UHFFFAOYSA-N 0 3 383.474 -0.187 20 0 GBADHN COCCN1CC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CCN(CCOC)C3)CCC2)C1 ZINC000474706153 1073339992 /nfs/dbraw/zinc/33/99/92/1073339992.db2.gz MPVRTHHFPWFJJI-IAGOWNOFSA-N 0 3 396.532 -0.170 20 0 GBADHN COCCN1CC[C@H](NC(=O)C2(C(=O)N[C@H]3CCN(CCOC)C3)CCC2)C1 ZINC000474706154 1073340030 /nfs/dbraw/zinc/34/00/30/1073340030.db2.gz MPVRTHHFPWFJJI-IRXDYDNUSA-N 0 3 396.532 -0.170 20 0 GBADHN CCC(=O)N1CC[C@@H](Nc2nc(NC)nc(N[C@H]3CCN(C(=O)CC)C3)n2)C1 ZINC000474780291 1073341488 /nfs/dbraw/zinc/34/14/88/1073341488.db2.gz OERVZWQZASXUDS-BETUJISGSA-N 0 3 390.492 -0.975 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000474783513 1073341651 /nfs/dbraw/zinc/34/16/51/1073341651.db2.gz LURLYAADVMQUDO-KBPBESRZSA-N 0 3 386.522 -0.771 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000474783514 1073341433 /nfs/dbraw/zinc/34/14/33/1073341433.db2.gz LURLYAADVMQUDO-KGLIPLIRSA-N 0 3 386.522 -0.771 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000474783515 1073341115 /nfs/dbraw/zinc/34/11/15/1073341115.db2.gz LURLYAADVMQUDO-UONOGXRCSA-N 0 3 386.522 -0.771 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000474783714 1073341578 /nfs/dbraw/zinc/34/15/78/1073341578.db2.gz LURLYAADVMQUDO-ZIAGYGMSSA-N 0 3 386.522 -0.771 20 0 GBADHN COCCCS(=O)(=O)NCC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000474813561 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CS(=O)(=O)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000474967527 1073367526 /nfs/dbraw/zinc/36/75/26/1073367526.db2.gz BXOKKTKVKBTIRW-UHFFFAOYSA-N 0 3 386.518 -0.097 20 0 GBADHN O=C(CN1CCn2c(=O)[nH]nc2C1)NCc1ccccc1CN1CCOCC1 ZINC000475102202 1073475601 /nfs/dbraw/zinc/47/56/01/1073475601.db2.gz RYTNNPJUWAKEHR-UHFFFAOYSA-N 0 3 386.456 -0.052 20 0 GBADHN COCCN1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475131350 1073475348 /nfs/dbraw/zinc/47/53/48/1073475348.db2.gz RAXKKJOWGCWLAN-UHFFFAOYSA-N 0 3 397.520 -0.717 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)N(C)C ZINC000475152501 1073477641 /nfs/dbraw/zinc/47/76/41/1073477641.db2.gz CGGWPKVRAGMIMK-BFHYXJOUSA-N 0 3 394.476 -0.476 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)N(C)C ZINC000475152503 1073477769 /nfs/dbraw/zinc/47/77/69/1073477769.db2.gz CGGWPKVRAGMIMK-MCIONIFRSA-N 0 3 394.476 -0.476 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)N(C)C 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ATPOTRPXZUYZNL-ZDUSSCGKSA-N 0 3 393.444 -0.303 20 0 GBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475251951 1073484360 /nfs/dbraw/zinc/48/43/60/1073484360.db2.gz FDVGQYXZKXOCCE-HNNXBMFYSA-N 0 3 392.460 -0.719 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475251952 1073484171 /nfs/dbraw/zinc/48/41/71/1073484171.db2.gz FDVGQYXZKXOCCE-OAHLLOKOSA-N 0 3 392.460 -0.719 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCN(C)C)cn2)C[C@H](C)O1 ZINC000475252263 1073484298 /nfs/dbraw/zinc/48/42/98/1073484298.db2.gz HZOGIPIKZJKNFG-BETUJISGSA-N 0 3 380.449 -0.865 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCN(C)C)cn2)C[C@@H](C)O1 ZINC000475252264 1073483883 /nfs/dbraw/zinc/48/38/83/1073483883.db2.gz HZOGIPIKZJKNFG-CHWSQXEVSA-N 0 3 380.449 -0.865 20 0 GBADHN C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCN(C)C)cn2)C[C@H](C)O1 ZINC000475252265 1073484012 /nfs/dbraw/zinc/48/40/12/1073484012.db2.gz HZOGIPIKZJKNFG-STQMWFEESA-N 0 3 380.449 -0.865 20 0 GBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000475253265 1073484138 /nfs/dbraw/zinc/48/41/38/1073484138.db2.gz MNQDJLMVHPEZHX-AWEZNQCLSA-N 0 3 380.449 -0.815 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000475253266 1073484923 /nfs/dbraw/zinc/48/49/23/1073484923.db2.gz MNQDJLMVHPEZHX-CQSZACIVSA-N 0 3 380.449 -0.815 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000475258898 1073486087 /nfs/dbraw/zinc/48/60/87/1073486087.db2.gz HQHACIHDDQJKEB-UHFFFAOYSA-N 0 3 398.414 -0.147 20 0 GBADHN COc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000475269741 1073488068 /nfs/dbraw/zinc/48/80/68/1073488068.db2.gz OYQFSQUFEBLAGN-UHFFFAOYSA-N 0 3 378.433 -0.866 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cn(C)nc2OC)CC1 ZINC000475287327 1073487862 /nfs/dbraw/zinc/48/78/62/1073487862.db2.gz NEODTLMBHUVLCW-UHFFFAOYSA-N 0 3 380.449 -0.620 20 0 GBADHN COc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000475298017 1073488752 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-0.319 20 0 GBADHN COc1nn(C)cc1NC(=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000475385051 1073491131 /nfs/dbraw/zinc/49/11/31/1073491131.db2.gz BYIAPDJCAFIVKM-OAHLLOKOSA-N 0 3 387.440 -0.097 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000475825424 1073895345 /nfs/dbraw/zinc/89/53/45/1073895345.db2.gz GWWYJGYTOHAMPX-UHFFFAOYSA-N 0 3 393.492 -0.011 20 0 GBADHN COCCCS(=O)(=O)NCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000475880469 530420618 /nfs/dbraw/zinc/42/06/18/530420618.db2.gz GNPOZEQUSKNOAL-UHFFFAOYSA-N 0 3 376.523 -0.818 20 0 GBADHN CN(C)CCN(C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000476022334 530420749 /nfs/dbraw/zinc/42/07/49/530420749.db2.gz LTXJMZKBNFXMGD-UHFFFAOYSA-N 0 3 377.511 -0.769 20 0 GBADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000476567981 530421165 /nfs/dbraw/zinc/42/11/65/530421165.db2.gz OHZMXLMFOMGTAY-AWEZNQCLSA-N 0 3 376.523 -0.523 20 0 GBADHN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000476567982 530421231 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GBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000477100056 530173730 /nfs/dbraw/zinc/17/37/30/530173730.db2.gz MPWPRNKHFPFAPF-KBPBESRZSA-N 0 3 376.523 -0.379 20 0 GBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000477100062 530173754 /nfs/dbraw/zinc/17/37/54/530173754.db2.gz MPWPRNKHFPFAPF-KGLIPLIRSA-N 0 3 376.523 -0.379 20 0 GBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000477100064 530173398 /nfs/dbraw/zinc/17/33/98/530173398.db2.gz MPWPRNKHFPFAPF-UONOGXRCSA-N 0 3 376.523 -0.379 20 0 GBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000477100066 530173749 /nfs/dbraw/zinc/17/37/49/530173749.db2.gz MPWPRNKHFPFAPF-ZIAGYGMSSA-N 0 3 376.523 -0.379 20 0 GBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477102254 530173935 /nfs/dbraw/zinc/17/39/35/530173935.db2.gz SIDGBGGKWRPLKR-CYBMUJFWSA-N 0 3 394.563 -0.672 20 0 GBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477102255 530174306 /nfs/dbraw/zinc/17/43/06/530174306.db2.gz SIDGBGGKWRPLKR-ZDUSSCGKSA-N 0 3 394.563 -0.672 20 0 GBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000477108251 530174455 /nfs/dbraw/zinc/17/44/55/530174455.db2.gz QDJCPNHEZNFJSS-KBPBESRZSA-N 0 3 376.523 -0.238 20 0 GBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000477108255 530174345 /nfs/dbraw/zinc/17/43/45/530174345.db2.gz QDJCPNHEZNFJSS-KGLIPLIRSA-N 0 3 376.523 -0.238 20 0 GBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000477108258 530174273 /nfs/dbraw/zinc/17/42/73/530174273.db2.gz QDJCPNHEZNFJSS-UONOGXRCSA-N 0 3 376.523 -0.238 20 0 GBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000477108259 530174239 /nfs/dbraw/zinc/17/42/39/530174239.db2.gz QDJCPNHEZNFJSS-ZIAGYGMSSA-N 0 3 376.523 -0.238 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477109355 530422419 /nfs/dbraw/zinc/42/24/19/530422419.db2.gz PBUORZUSBBUHKD-AWEZNQCLSA-N 0 3 394.563 -0.225 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477109356 530422170 /nfs/dbraw/zinc/42/21/70/530422170.db2.gz PBUORZUSBBUHKD-CQSZACIVSA-N 0 3 394.563 -0.225 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000477124457 530422428 /nfs/dbraw/zinc/42/24/28/530422428.db2.gz GPSFBSRRJYUIAJ-UHFFFAOYSA-N 0 3 384.568 -0.787 20 0 GBADHN O=C(NCCS(=O)(=O)N1CCSCC1)NCC1CCN(CCO)CC1 ZINC000477136103 530422373 /nfs/dbraw/zinc/42/23/73/530422373.db2.gz JUYMAKUAQLWAJZ-UHFFFAOYSA-N 0 3 394.563 -0.632 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCNC(C)(C)C2)s1 ZINC000477335332 530422538 /nfs/dbraw/zinc/42/25/38/530422538.db2.gz YXZCYHYASBRSTL-UHFFFAOYSA-N 0 3 388.515 -0.127 20 0 GBADHN CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000477451302 530422625 /nfs/dbraw/zinc/42/26/25/530422625.db2.gz AQUBSBODGAAVJB-HNNXBMFYSA-N 0 3 378.539 -0.527 20 0 GBADHN CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000477451314 530422547 /nfs/dbraw/zinc/42/25/47/530422547.db2.gz AQUBSBODGAAVJB-OAHLLOKOSA-N 0 3 378.539 -0.527 20 0 GBADHN CC(C)N1CCC(O)(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000477469747 530422751 /nfs/dbraw/zinc/42/27/51/530422751.db2.gz QQLYAJYBCXSVIU-UHFFFAOYSA-N 0 3 385.552 -0.577 20 0 GBADHN COCn1nccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000477469920 530422691 /nfs/dbraw/zinc/42/26/91/530422691.db2.gz JNHGQOUJDUJZOR-ZDUSSCGKSA-N 0 3 375.495 -0.142 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000477472709 530423148 /nfs/dbraw/zinc/42/31/48/530423148.db2.gz BQVCAXGATLNCIH-HNNXBMFYSA-N 0 3 378.539 -0.670 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000477472755 530423085 /nfs/dbraw/zinc/42/30/85/530423085.db2.gz BQVCAXGATLNCIH-OAHLLOKOSA-N 0 3 378.539 -0.670 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000477472842 530423247 /nfs/dbraw/zinc/42/32/47/530423247.db2.gz GLNIRJKEUZIJPE-UHFFFAOYSA-N 0 3 378.539 -0.573 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000477481477 530423240 /nfs/dbraw/zinc/42/32/40/530423240.db2.gz FNBBUSRMUSBTPX-LLVKDONJSA-N 0 3 378.520 -0.131 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000477481482 530422955 /nfs/dbraw/zinc/42/29/55/530422955.db2.gz FNBBUSRMUSBTPX-NSHDSACASA-N 0 3 378.520 -0.131 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(OCCN(C)C)CC1 ZINC000477483295 530423059 /nfs/dbraw/zinc/42/30/59/530423059.db2.gz VKKUEZPLLQFGCT-UHFFFAOYSA-N 0 3 379.523 -0.100 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000477513301 530423133 /nfs/dbraw/zinc/42/31/33/530423133.db2.gz HHJIDDPUPYXFMH-UHFFFAOYSA-N 0 3 393.535 -0.673 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000477513599 530423253 /nfs/dbraw/zinc/42/32/53/530423253.db2.gz BVPSRESMXCZDGQ-UHFFFAOYSA-N 0 3 393.535 -0.625 20 0 GBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000477533307 530423219 /nfs/dbraw/zinc/42/32/19/530423219.db2.gz WDRIAVNQCPFUGF-UHFFFAOYSA-N 0 3 397.563 -0.168 20 0 GBADHN COC[C@](C)(NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OC ZINC000477559488 530423554 /nfs/dbraw/zinc/42/35/54/530423554.db2.gz NNRNFGSQAMFIFZ-HNNXBMFYSA-N 0 3 376.479 -0.082 20 0 GBADHN COC[C@@](C)(NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OC ZINC000477559491 530423374 /nfs/dbraw/zinc/42/33/74/530423374.db2.gz NNRNFGSQAMFIFZ-OAHLLOKOSA-N 0 3 376.479 -0.082 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000477579966 530423579 /nfs/dbraw/zinc/42/35/79/530423579.db2.gz OOLYVSPNEQWJSF-CYBMUJFWSA-N 0 3 393.535 -0.626 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000477579969 530423397 /nfs/dbraw/zinc/42/33/97/530423397.db2.gz OOLYVSPNEQWJSF-ZDUSSCGKSA-N 0 3 393.535 -0.626 20 0 GBADHN COCCN(CC(=O)OC)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477602942 530423459 /nfs/dbraw/zinc/42/34/59/530423459.db2.gz NLUGSINZGGQNQY-UHFFFAOYSA-N 0 3 376.479 -0.128 20 0 GBADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000477663634 530423592 /nfs/dbraw/zinc/42/35/92/530423592.db2.gz IARPBSXUYSLMQB-AWEZNQCLSA-N 0 3 377.507 -0.049 20 0 GBADHN COC(=O)C1CCN(CCCNC(=O)[C@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000477663635 530423518 /nfs/dbraw/zinc/42/35/18/530423518.db2.gz IARPBSXUYSLMQB-CQSZACIVSA-N 0 3 377.507 -0.049 20 0 GBADHN CNS(=O)(=O)CCCN1CCN(CCCS(=O)(=O)NC)C(C)(C)C1 ZINC000478052544 530423904 /nfs/dbraw/zinc/42/39/04/530423904.db2.gz GWZMVXCARVBWMG-UHFFFAOYSA-N 0 3 384.568 -0.739 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000479274903 530424616 /nfs/dbraw/zinc/42/46/16/530424616.db2.gz AXKYEDYCZRSBMS-UHFFFAOYSA-N 0 3 376.504 -0.599 20 0 GBADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000479290389 530424717 /nfs/dbraw/zinc/42/47/17/530424717.db2.gz XLKXHZOGJCEUGJ-CYBMUJFWSA-N 0 3 390.531 -0.211 20 0 GBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000479290391 530424844 /nfs/dbraw/zinc/42/48/44/530424844.db2.gz XLKXHZOGJCEUGJ-ZDUSSCGKSA-N 0 3 390.531 -0.211 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000479305266 530424676 /nfs/dbraw/zinc/42/46/76/530424676.db2.gz VPIIWHAUYPPDLF-UHFFFAOYSA-N 0 3 393.535 -0.769 20 0 GBADHN CC[NH2+][C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000479345978 530424777 /nfs/dbraw/zinc/42/47/77/530424777.db2.gz FXSKOUAPKBZIDK-SNVBAGLBSA-N 0 3 376.504 -0.223 20 0 GBADHN CCOC(=O)C(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(=O)OCC ZINC000479884947 530425273 /nfs/dbraw/zinc/42/52/73/530425273.db2.gz UTTMRSPMTBWLAF-JTQLQIEISA-N 0 3 379.431 -0.420 20 0 GBADHN CCOC(=O)C(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(=O)OCC ZINC000479884949 530425200 /nfs/dbraw/zinc/42/52/00/530425200.db2.gz UTTMRSPMTBWLAF-SNVBAGLBSA-N 0 3 379.431 -0.420 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000479895969 530425063 /nfs/dbraw/zinc/42/50/63/530425063.db2.gz CJAALXIXJLWCTB-TXEJJXNPSA-N 0 3 386.499 -0.660 20 0 GBADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@@]2(N(C)C)CCSC2)cn1C ZINC000480277139 530425775 /nfs/dbraw/zinc/42/57/75/530425775.db2.gz VZGUVUNHRSYJSI-AWEZNQCLSA-N 0 3 375.520 -0.440 20 0 GBADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@]2(N(C)C)CCSC2)cn1C ZINC000480277141 530425680 /nfs/dbraw/zinc/42/56/80/530425680.db2.gz VZGUVUNHRSYJSI-CQSZACIVSA-N 0 3 375.520 -0.440 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000480279339 530425792 /nfs/dbraw/zinc/42/57/92/530425792.db2.gz CGGKKKSMEVFNRI-CYBMUJFWSA-N 0 3 378.520 -0.131 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000480279340 530425717 /nfs/dbraw/zinc/42/57/17/530425717.db2.gz CGGKKKSMEVFNRI-ZDUSSCGKSA-N 0 3 378.520 -0.131 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000480295022 530425742 /nfs/dbraw/zinc/42/57/42/530425742.db2.gz UOCFVHLYGZCHAM-AWEZNQCLSA-N 0 3 378.520 -0.083 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000480295023 530425485 /nfs/dbraw/zinc/42/54/85/530425485.db2.gz UOCFVHLYGZCHAM-CQSZACIVSA-N 0 3 378.520 -0.083 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000480332405 530425766 /nfs/dbraw/zinc/42/57/66/530425766.db2.gz IKWZJJKURINLIS-CYBMUJFWSA-N 0 3 393.535 -0.497 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000480332419 530425560 /nfs/dbraw/zinc/42/55/60/530425560.db2.gz IKWZJJKURINLIS-ZDUSSCGKSA-N 0 3 393.535 -0.497 20 0 GBADHN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@]2(N(C)C)CCSC2)cn1C ZINC000480355529 530425771 /nfs/dbraw/zinc/42/57/71/530425771.db2.gz JZGXTRZSOOJTKR-HNNXBMFYSA-N 0 3 389.547 -0.050 20 0 GBADHN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@]2(N(C)C)CCSC2)cn1C ZINC000480355533 530425648 /nfs/dbraw/zinc/42/56/48/530425648.db2.gz JZGXTRZSOOJTKR-OAHLLOKOSA-N 0 3 389.547 -0.050 20 0 GBADHN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480355758 530425722 /nfs/dbraw/zinc/42/57/22/530425722.db2.gz MFLCHWHZUQEZTL-CYBMUJFWSA-N 0 3 376.479 -0.348 20 0 GBADHN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480355759 530425542 /nfs/dbraw/zinc/42/55/42/530425542.db2.gz MFLCHWHZUQEZTL-ZDUSSCGKSA-N 0 3 376.479 -0.348 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCS(=O)(=O)NC1CC1 ZINC000480454563 530425879 /nfs/dbraw/zinc/42/58/79/530425879.db2.gz IEMGVCNPTLNGQM-UHFFFAOYSA-N 0 3 393.535 -0.578 20 0 GBADHN CCS(=O)(=O)NCCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480470630 530426001 /nfs/dbraw/zinc/42/60/01/530426001.db2.gz FHWNKPNEOWJFKO-UHFFFAOYSA-N 0 3 381.524 -0.721 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000480481068 530425868 /nfs/dbraw/zinc/42/58/68/530425868.db2.gz UKTIVEPTDVZKFO-UHFFFAOYSA-N 0 3 381.524 -0.721 20 0 GBADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000480519671 530426513 /nfs/dbraw/zinc/42/65/13/530426513.db2.gz BHBYMNFPZXDUCU-BFHYXJOUSA-N 0 3 375.491 -0.165 20 0 GBADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000480519694 530426600 /nfs/dbraw/zinc/42/66/00/530426600.db2.gz BHBYMNFPZXDUCU-MCIONIFRSA-N 0 3 375.491 -0.165 20 0 GBADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000480519781 530426300 /nfs/dbraw/zinc/42/63/00/530426300.db2.gz BHBYMNFPZXDUCU-MGPQQGTHSA-N 0 3 375.491 -0.165 20 0 GBADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000480519782 530426428 /nfs/dbraw/zinc/42/64/28/530426428.db2.gz BHBYMNFPZXDUCU-MJBXVCDLSA-N 0 3 375.491 -0.165 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCS(=O)(=O)NC(C)C ZINC000480529689 530426446 /nfs/dbraw/zinc/42/64/46/530426446.db2.gz QFJKDCVYLBRYHL-UHFFFAOYSA-N 0 3 395.551 -0.332 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000480645193 530426577 /nfs/dbraw/zinc/42/65/77/530426577.db2.gz WWYRGVNWOAOOHL-CYBMUJFWSA-N 0 3 378.520 -0.083 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000480645195 530426496 /nfs/dbraw/zinc/42/64/96/530426496.db2.gz WWYRGVNWOAOOHL-ZDUSSCGKSA-N 0 3 378.520 -0.083 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000480647638 530426485 /nfs/dbraw/zinc/42/64/85/530426485.db2.gz AMNDVZCTFOBNQH-LLVKDONJSA-N 0 3 378.520 -0.131 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000480647640 530426296 /nfs/dbraw/zinc/42/62/96/530426296.db2.gz AMNDVZCTFOBNQH-NSHDSACASA-N 0 3 378.520 -0.131 20 0 GBADHN CN(C)C1(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCOCC1 ZINC000480656578 530426758 /nfs/dbraw/zinc/42/67/58/530426758.db2.gz AMSVNMPNWIBDNF-UHFFFAOYSA-N 0 3 397.563 -0.312 20 0 GBADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480657607 530426907 /nfs/dbraw/zinc/42/69/07/530426907.db2.gz IJOLBLITGQXETR-CYBMUJFWSA-N 0 3 391.515 -0.144 20 0 GBADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480657613 530426872 /nfs/dbraw/zinc/42/68/72/530426872.db2.gz IJOLBLITGQXETR-ZDUSSCGKSA-N 0 3 391.515 -0.144 20 0 GBADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1 ZINC000480662975 530426985 /nfs/dbraw/zinc/42/69/85/530426985.db2.gz KPKFFFAEZJLHNH-UHFFFAOYSA-N 0 3 377.488 -0.532 20 0 GBADHN COCCN([C@H](C)C(N)=O)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480669508 530427038 /nfs/dbraw/zinc/42/70/38/530427038.db2.gz XUJOGRLONJKFTD-CYBMUJFWSA-N 0 3 375.495 -0.428 20 0 GBADHN COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480669509 530426736 /nfs/dbraw/zinc/42/67/36/530426736.db2.gz XUJOGRLONJKFTD-ZDUSSCGKSA-N 0 3 375.495 -0.428 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000480694637 1073055374 /nfs/dbraw/zinc/05/53/74/1073055374.db2.gz BLHWXCLFQYZYEJ-UKRRQHHQSA-N 0 3 376.461 -0.179 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC000480806782 530427274 /nfs/dbraw/zinc/42/72/74/530427274.db2.gz UKEZSBPQOWNDFZ-CYBMUJFWSA-N 0 3 378.520 -0.083 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCS1(=O)=O ZINC000480806785 530427303 /nfs/dbraw/zinc/42/73/03/530427303.db2.gz UKEZSBPQOWNDFZ-ZDUSSCGKSA-N 0 3 378.520 -0.083 20 0 GBADHN CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000480849359 530427245 /nfs/dbraw/zinc/42/72/45/530427245.db2.gz ZLAFRXYOMRDJGU-AWEZNQCLSA-N 0 3 375.491 -0.102 20 0 GBADHN CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000480849361 530427394 /nfs/dbraw/zinc/42/73/94/530427394.db2.gz ZLAFRXYOMRDJGU-CQSZACIVSA-N 0 3 375.491 -0.102 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000480872882 530427598 /nfs/dbraw/zinc/42/75/98/530427598.db2.gz ITEKBHGOMABYQB-GFCCVEGCSA-N 0 3 375.520 -0.347 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000480872903 530427561 /nfs/dbraw/zinc/42/75/61/530427561.db2.gz ITEKBHGOMABYQB-LBPRGKRZSA-N 0 3 375.520 -0.347 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000480875056 530427506 /nfs/dbraw/zinc/42/75/06/530427506.db2.gz RQEVSUIVZZKHMB-CYBMUJFWSA-N 0 3 393.535 -0.497 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000480875059 530427649 /nfs/dbraw/zinc/42/76/49/530427649.db2.gz RQEVSUIVZZKHMB-ZDUSSCGKSA-N 0 3 393.535 -0.497 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000480891573 530427474 /nfs/dbraw/zinc/42/74/74/530427474.db2.gz WFIVFUSEMQLVEF-CYBMUJFWSA-N 0 3 394.519 -0.847 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000480891574 530427618 /nfs/dbraw/zinc/42/76/18/530427618.db2.gz WFIVFUSEMQLVEF-ZDUSSCGKSA-N 0 3 394.519 -0.847 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000480901825 530427671 /nfs/dbraw/zinc/42/76/71/530427671.db2.gz REFFFYVDHHDYJD-GFCCVEGCSA-N 0 3 379.508 -0.887 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000480901832 530427706 /nfs/dbraw/zinc/42/77/06/530427706.db2.gz REFFFYVDHHDYJD-LBPRGKRZSA-N 0 3 379.508 -0.887 20 0 GBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCOCCN(C)C)cc1C ZINC000480911212 530427797 /nfs/dbraw/zinc/42/77/97/530427797.db2.gz PAALUWLVXQKBST-UHFFFAOYSA-N 0 3 379.504 -0.240 20 0 GBADHN CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480914270 530427732 /nfs/dbraw/zinc/42/77/32/530427732.db2.gz UWGOCIYPFFSAEK-HNNXBMFYSA-N 0 3 376.479 -0.346 20 0 GBADHN CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480914273 530427613 /nfs/dbraw/zinc/42/76/13/530427613.db2.gz UWGOCIYPFFSAEK-OAHLLOKOSA-N 0 3 376.479 -0.346 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1(S(C)(=O)=O)CC1 ZINC000480982999 530427945 /nfs/dbraw/zinc/42/79/45/530427945.db2.gz AEVUIUCBAYOGGV-UHFFFAOYSA-N 0 3 378.520 -0.083 20 0 GBADHN COC(=O)C1CCN(CCCNC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000481109042 530428395 /nfs/dbraw/zinc/42/83/95/530428395.db2.gz UJSNKEQVXHIMJV-UHFFFAOYSA-N 0 3 375.491 -0.197 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481182818 530428289 /nfs/dbraw/zinc/42/82/89/530428289.db2.gz ARNFBPCZJMNDBS-HNNXBMFYSA-N 0 3 394.563 -0.626 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481182821 530428297 /nfs/dbraw/zinc/42/82/97/530428297.db2.gz ARNFBPCZJMNDBS-OAHLLOKOSA-N 0 3 394.563 -0.626 20 0 GBADHN CN(C)[C@]1(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290210 530428273 /nfs/dbraw/zinc/42/82/73/530428273.db2.gz JVAWCNDQORFOBG-DOMZBBRYSA-N 0 3 392.547 -0.584 20 0 GBADHN CN(C)[C@@]1(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290219 530428866 /nfs/dbraw/zinc/42/88/66/530428866.db2.gz JVAWCNDQORFOBG-IUODEOHRSA-N 0 3 392.547 -0.584 20 0 GBADHN CN(C)[C@@]1(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290222 530428892 /nfs/dbraw/zinc/42/88/92/530428892.db2.gz JVAWCNDQORFOBG-SWLSCSKDSA-N 0 3 392.547 -0.584 20 0 GBADHN CN(C)[C@]1(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290732 530428805 /nfs/dbraw/zinc/42/88/05/530428805.db2.gz JVAWCNDQORFOBG-WFASDCNBSA-N 0 3 392.547 -0.584 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccncc2OC)CC1 ZINC000481476770 530428707 /nfs/dbraw/zinc/42/87/07/530428707.db2.gz VUEYCQWWQQTCGD-UHFFFAOYSA-N 0 3 392.503 -0.519 20 0 GBADHN COc1cnccc1N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000481488843 530428906 /nfs/dbraw/zinc/42/89/06/530428906.db2.gz GDXNCFPWQULPKO-UHFFFAOYSA-N 0 3 377.488 -0.023 20 0 GBADHN COc1cnccc1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000481495862 530428976 /nfs/dbraw/zinc/42/89/76/530428976.db2.gz TZONKFQMSHMEPN-UHFFFAOYSA-N 0 3 390.487 -0.813 20 0 GBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481737280 530429188 /nfs/dbraw/zinc/42/91/88/530429188.db2.gz CJOPTWBVAMIBGY-GFCCVEGCSA-N 0 3 384.520 -0.244 20 0 GBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481737281 530429380 /nfs/dbraw/zinc/42/93/80/530429380.db2.gz CJOPTWBVAMIBGY-LBPRGKRZSA-N 0 3 384.520 -0.244 20 0 GBADHN CC(C(=O)NCCS(=O)(=O)NCC1CCC1)S(=O)(=O)C1CCOCC1 ZINC000482158565 530429685 /nfs/dbraw/zinc/42/96/85/530429685.db2.gz QVLISWCKWDASNV-GFCCVEGCSA-N 0 3 396.531 -0.196 20 0 GBADHN CC(C(=O)NCCS(=O)(=O)NCC1CCC1)S(=O)(=O)C1CCOCC1 ZINC000482158566 530429641 /nfs/dbraw/zinc/42/96/41/530429641.db2.gz QVLISWCKWDASNV-LBPRGKRZSA-N 0 3 396.531 -0.196 20 0 GBADHN COC(=O)CN1CCC([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000482506916 530429926 /nfs/dbraw/zinc/42/99/26/530429926.db2.gz HQPTXJHDYCSDPM-UHFFFAOYSA-N 0 3 392.503 -0.338 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000483198909 530430577 /nfs/dbraw/zinc/43/05/77/530430577.db2.gz NHTVUKKRTUCBBR-HNNXBMFYSA-N 0 3 379.523 -0.460 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000483198913 530430637 /nfs/dbraw/zinc/43/06/37/530430637.db2.gz NHTVUKKRTUCBBR-OAHLLOKOSA-N 0 3 379.523 -0.460 20 0 GBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1N1CCCC1 ZINC000483391081 530430538 /nfs/dbraw/zinc/43/05/38/530430538.db2.gz DCEBTKGIOKIGRV-KBPBESRZSA-N 0 3 387.531 -0.263 20 0 GBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H]1N1CCCC1 ZINC000483391082 530430499 /nfs/dbraw/zinc/43/04/99/530430499.db2.gz DCEBTKGIOKIGRV-KGLIPLIRSA-N 0 3 387.531 -0.263 20 0 GBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1N1CCCC1 ZINC000483391083 530430630 /nfs/dbraw/zinc/43/06/30/530430630.db2.gz DCEBTKGIOKIGRV-UONOGXRCSA-N 0 3 387.531 -0.263 20 0 GBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H]1N1CCCC1 ZINC000483391084 530430738 /nfs/dbraw/zinc/43/07/38/530430738.db2.gz DCEBTKGIOKIGRV-ZIAGYGMSSA-N 0 3 387.531 -0.263 20 0 GBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000483409583 530430474 /nfs/dbraw/zinc/43/04/74/530430474.db2.gz UJOQAKIIKYXDQL-KBPBESRZSA-N 0 3 379.548 -0.020 20 0 GBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000483409597 530430601 /nfs/dbraw/zinc/43/06/01/530430601.db2.gz UJOQAKIIKYXDQL-KGLIPLIRSA-N 0 3 379.548 -0.020 20 0 GBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000483409599 530430617 /nfs/dbraw/zinc/43/06/17/530430617.db2.gz UJOQAKIIKYXDQL-UONOGXRCSA-N 0 3 379.548 -0.020 20 0 GBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000483409601 530430583 /nfs/dbraw/zinc/43/05/83/530430583.db2.gz UJOQAKIIKYXDQL-ZIAGYGMSSA-N 0 3 379.548 -0.020 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000483914493 530431030 /nfs/dbraw/zinc/43/10/30/530431030.db2.gz RERYRCCAUSHMQG-LLVKDONJSA-N 0 3 386.499 -0.226 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000483914501 530430942 /nfs/dbraw/zinc/43/09/42/530430942.db2.gz RERYRCCAUSHMQG-NSHDSACASA-N 0 3 386.499 -0.226 20 0 GBADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCSC1 ZINC000483965434 530430967 /nfs/dbraw/zinc/43/09/67/530430967.db2.gz XVATVNDGIJBWRW-HNNXBMFYSA-N 0 3 386.499 -0.023 20 0 GBADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCSC1 ZINC000483965442 530431147 /nfs/dbraw/zinc/43/11/47/530431147.db2.gz XVATVNDGIJBWRW-OAHLLOKOSA-N 0 3 386.499 -0.023 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000484633902 530431384 /nfs/dbraw/zinc/43/13/84/530431384.db2.gz QEBUXDNMQMSUAB-QLFBSQMISA-N 0 3 378.491 -0.568 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000484633958 530431352 /nfs/dbraw/zinc/43/13/52/530431352.db2.gz QEBUXDNMQMSUAB-RBSFLKMASA-N 0 3 378.491 -0.568 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000484633961 530431298 /nfs/dbraw/zinc/43/12/98/530431298.db2.gz QEBUXDNMQMSUAB-RRFJBIMHSA-N 0 3 378.491 -0.568 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000484633963 530431474 /nfs/dbraw/zinc/43/14/74/530431474.db2.gz QEBUXDNMQMSUAB-SOUVJXGZSA-N 0 3 378.491 -0.568 20 0 GBADHN CS[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1N1CCCC1 ZINC000484646202 530431548 /nfs/dbraw/zinc/43/15/48/530431548.db2.gz IBSAYIDNHRJMSY-CABCVRRESA-N 0 3 392.591 -0.104 20 0 GBADHN CS[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1N1CCCC1 ZINC000484646210 530431308 /nfs/dbraw/zinc/43/13/08/530431308.db2.gz IBSAYIDNHRJMSY-GJZGRUSLSA-N 0 3 392.591 -0.104 20 0 GBADHN CS[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1N1CCCC1 ZINC000484646211 530431409 /nfs/dbraw/zinc/43/14/09/530431409.db2.gz IBSAYIDNHRJMSY-HUUCEWRRSA-N 0 3 392.591 -0.104 20 0 GBADHN CS[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1N1CCCC1 ZINC000484646212 530431438 /nfs/dbraw/zinc/43/14/38/530431438.db2.gz IBSAYIDNHRJMSY-LSDHHAIUSA-N 0 3 392.591 -0.104 20 0 GBADHN CCO[C@H]1COCC[C@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648533 530431553 /nfs/dbraw/zinc/43/15/53/530431553.db2.gz KEOWCRHSVSKVPU-CABCVRRESA-N 0 3 379.523 -0.054 20 0 GBADHN CCO[C@H]1COCC[C@@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648535 530431388 /nfs/dbraw/zinc/43/13/88/530431388.db2.gz KEOWCRHSVSKVPU-GJZGRUSLSA-N 0 3 379.523 -0.054 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648536 530431429 /nfs/dbraw/zinc/43/14/29/530431429.db2.gz KEOWCRHSVSKVPU-HUUCEWRRSA-N 0 3 379.523 -0.054 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648538 530431597 /nfs/dbraw/zinc/43/15/97/530431597.db2.gz KEOWCRHSVSKVPU-LSDHHAIUSA-N 0 3 379.523 -0.054 20 0 GBADHN CC(C)N(CCCNC(=O)CN(C)C1(CO)CCOCC1)S(C)(=O)=O ZINC000484652425 530431325 /nfs/dbraw/zinc/43/13/25/530431325.db2.gz JCGONDHVCGDQQA-UHFFFAOYSA-N 0 3 379.523 -0.364 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)cs1 ZINC000485373300 530432351 /nfs/dbraw/zinc/43/23/51/530432351.db2.gz ARPVOPCBADBUSS-SECBINFHSA-N 0 3 381.501 -0.282 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)cs1 ZINC000485373324 530432186 /nfs/dbraw/zinc/43/21/86/530432186.db2.gz ARPVOPCBADBUSS-VIFPVBQESA-N 0 3 381.501 -0.282 20 0 GBADHN CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@H](C)C[S@@](C)=O)n1 ZINC000485992958 530432547 /nfs/dbraw/zinc/43/25/47/530432547.db2.gz VUGFHPBXSUDVRP-GQZKJDIASA-N 0 3 376.552 -0.258 20 0 GBADHN CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@@H](C)C[S@](C)=O)n1 ZINC000485992961 530432750 /nfs/dbraw/zinc/43/27/50/530432750.db2.gz VUGFHPBXSUDVRP-IDVCGKOASA-N 0 3 376.552 -0.258 20 0 GBADHN CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@@H](C)C[S@@](C)=O)n1 ZINC000485992962 530432810 /nfs/dbraw/zinc/43/28/10/530432810.db2.gz VUGFHPBXSUDVRP-PFPGYTHDSA-N 0 3 376.552 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O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCc2ccccn2)CC1 ZINC000501681372 1072279842 /nfs/dbraw/zinc/27/98/42/1072279842.db2.gz IXHMYQYHAMQTBM-UHFFFAOYSA-N 0 3 387.484 -0.103 20 0 GBADHN C[C@]1(O)CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@](C)(O)C3)CC2)C1 ZINC000501807329 1072284612 /nfs/dbraw/zinc/28/46/12/1072284612.db2.gz VQOGNRMWAVWECA-PMACEKPBSA-N 0 3 396.532 -0.649 20 0 GBADHN C[C@@]1(O)CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@](C)(O)C3)CC2)C1 ZINC000501807330 1072283891 /nfs/dbraw/zinc/28/38/91/1072283891.db2.gz VQOGNRMWAVWECA-WOJBJXKFSA-N 0 3 396.532 -0.649 20 0 GBADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000502021151 1072298798 /nfs/dbraw/zinc/29/87/98/1072298798.db2.gz YGWHDVHCZGKMNN-CVEARBPZSA-N 0 3 396.488 -0.937 20 0 GBADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000502021152 1072298847 /nfs/dbraw/zinc/29/88/47/1072298847.db2.gz YGWHDVHCZGKMNN-HOTGVXAUSA-N 0 3 396.488 -0.937 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000502021153 1072298820 /nfs/dbraw/zinc/29/88/20/1072298820.db2.gz YGWHDVHCZGKMNN-HZPDHXFCSA-N 0 3 396.488 -0.937 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000502021154 1072298687 /nfs/dbraw/zinc/29/86/87/1072298687.db2.gz YGWHDVHCZGKMNN-JKSUJKDBSA-N 0 3 396.488 -0.937 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121615 1072304166 /nfs/dbraw/zinc/30/41/66/1072304166.db2.gz UEZGSYBXKMZIQR-DZGCQCFKSA-N 0 3 387.444 -0.372 20 0 GBADHN C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121617 1072303843 /nfs/dbraw/zinc/30/38/43/1072303843.db2.gz UEZGSYBXKMZIQR-HIFRSBDPSA-N 0 3 387.444 -0.372 20 0 GBADHN C[C@@H](NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121618 1072304144 /nfs/dbraw/zinc/30/41/44/1072304144.db2.gz UEZGSYBXKMZIQR-UKRRQHHQSA-N 0 3 387.444 -0.372 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121619 1072303700 /nfs/dbraw/zinc/30/37/00/1072303700.db2.gz 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CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254166 1072311047 /nfs/dbraw/zinc/31/10/47/1072311047.db2.gz MKAIBWOEYAAPRO-XHSDSOJGSA-N 0 3 380.489 -0.175 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502290745 1072317615 /nfs/dbraw/zinc/31/76/15/1072317615.db2.gz DVRXPQIANCOKPL-CVEARBPZSA-N 0 3 379.505 -0.648 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502290746 1072317137 /nfs/dbraw/zinc/31/71/37/1072317137.db2.gz DVRXPQIANCOKPL-HOTGVXAUSA-N 0 3 379.505 -0.648 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502290747 1072317162 /nfs/dbraw/zinc/31/71/62/1072317162.db2.gz DVRXPQIANCOKPL-HZPDHXFCSA-N 0 3 379.505 -0.648 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502290748 1072317377 /nfs/dbraw/zinc/31/73/77/1072317377.db2.gz DVRXPQIANCOKPL-JKSUJKDBSA-N 0 3 379.505 -0.648 20 0 GBADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000502290751 1072317505 /nfs/dbraw/zinc/31/75/05/1072317505.db2.gz DWMOPQIZZZOXEX-CVEARBPZSA-N 0 3 398.504 -0.691 20 0 GBADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000502290752 1072317304 /nfs/dbraw/zinc/31/73/04/1072317304.db2.gz DWMOPQIZZZOXEX-HOTGVXAUSA-N 0 3 398.504 -0.691 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000502290753 1072317481 /nfs/dbraw/zinc/31/74/81/1072317481.db2.gz DWMOPQIZZZOXEX-HZPDHXFCSA-N 0 3 398.504 -0.691 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000502290754 1072317691 /nfs/dbraw/zinc/31/76/91/1072317691.db2.gz DWMOPQIZZZOXEX-JKSUJKDBSA-N 0 3 398.504 -0.691 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000502295864 1072315979 /nfs/dbraw/zinc/31/59/79/1072315979.db2.gz YBDZEGSFYBBDPJ-ARFHVFGLSA-N 0 3 396.488 -0.938 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000502295865 1072315322 /nfs/dbraw/zinc/31/53/22/1072315322.db2.gz YBDZEGSFYBBDPJ-BZUAXINKSA-N 0 3 396.488 -0.938 20 0 GBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000502295866 1072315608 /nfs/dbraw/zinc/31/56/08/1072315608.db2.gz YBDZEGSFYBBDPJ-HRCADAONSA-N 0 3 396.488 -0.938 20 0 GBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000502295867 1072315787 /nfs/dbraw/zinc/31/57/87/1072315787.db2.gz YBDZEGSFYBBDPJ-OWCLPIDISA-N 0 3 396.488 -0.938 20 0 GBADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC1CCOCC1 ZINC000502494951 1072567600 /nfs/dbraw/zinc/56/76/00/1072567600.db2.gz LRJJGDFFPVMJRG-UHFFFAOYSA-N 0 3 382.505 -0.652 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H]2C1 ZINC000502570615 530447707 /nfs/dbraw/zinc/44/77/07/530447707.db2.gz QCZSJKLJSFGANN-LSDHHAIUSA-N 0 3 377.507 -0.348 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502601374 1072329643 /nfs/dbraw/zinc/32/96/43/1072329643.db2.gz PIXLFAAVWYPVDK-HNNXBMFYSA-N 0 3 395.485 -0.168 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502601377 1072329168 /nfs/dbraw/zinc/32/91/68/1072329168.db2.gz PIXLFAAVWYPVDK-OAHLLOKOSA-N 0 3 395.485 -0.168 20 0 GBADHN COC[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000502713223 1072333666 /nfs/dbraw/zinc/33/36/66/1072333666.db2.gz QEXKLPUFBDZJCD-KRWDZBQOSA-N 0 3 382.505 -0.652 20 0 GBADHN COC[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000502713224 1072333908 /nfs/dbraw/zinc/33/39/08/1072333908.db2.gz QEXKLPUFBDZJCD-QGZVFWFLSA-N 0 3 382.505 -0.652 20 0 GBADHN CCN1CCN(CCC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000502808462 530448393 /nfs/dbraw/zinc/44/83/93/530448393.db2.gz PMMJAVHHRAFVLC-UHFFFAOYSA-N 0 3 378.564 -0.491 20 0 GBADHN CCN1CCN(CCCCNC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000502827500 530448058 /nfs/dbraw/zinc/44/80/58/530448058.db2.gz VMUAOSVVKGAZHE-UHFFFAOYSA-N 0 3 375.539 -0.215 20 0 GBADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835845 530448079 /nfs/dbraw/zinc/44/80/79/530448079.db2.gz IKQUKBVCPOESBS-KBPBESRZSA-N 0 3 376.523 -0.333 20 0 GBADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835846 530448373 /nfs/dbraw/zinc/44/83/73/530448373.db2.gz IKQUKBVCPOESBS-KGLIPLIRSA-N 0 3 376.523 -0.333 20 0 GBADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835847 530448241 /nfs/dbraw/zinc/44/82/41/530448241.db2.gz IKQUKBVCPOESBS-UONOGXRCSA-N 0 3 376.523 -0.333 20 0 GBADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835848 530448368 /nfs/dbraw/zinc/44/83/68/530448368.db2.gz IKQUKBVCPOESBS-ZIAGYGMSSA-N 0 3 376.523 -0.333 20 0 GBADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000502836404 530448346 /nfs/dbraw/zinc/44/83/46/530448346.db2.gz SZJYUHKYWPKHQS-BFHYXJOUSA-N 0 3 375.491 -0.847 20 0 GBADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000502836405 530448382 /nfs/dbraw/zinc/44/83/82/530448382.db2.gz SZJYUHKYWPKHQS-MCIONIFRSA-N 0 3 375.491 -0.847 20 0 GBADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000502836406 530448299 /nfs/dbraw/zinc/44/82/99/530448299.db2.gz SZJYUHKYWPKHQS-MGPQQGTHSA-N 0 3 375.491 -0.847 20 0 GBADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000502836407 530448361 /nfs/dbraw/zinc/44/83/61/530448361.db2.gz SZJYUHKYWPKHQS-MJBXVCDLSA-N 0 3 375.491 -0.847 20 0 GBADHN COc1ccc(CN2CCCN(C(=O)CN3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881692 1072340995 /nfs/dbraw/zinc/34/09/95/1072340995.db2.gz TXSVQQOUNXTLRD-FQEVSTJZSA-N 0 3 390.484 -0.348 20 0 GBADHN COc1ccc(CN2CCCN(C(=O)CN3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881693 1072340593 /nfs/dbraw/zinc/34/05/93/1072340593.db2.gz TXSVQQOUNXTLRD-HXUWFJFHSA-N 0 3 390.484 -0.348 20 0 GBADHN CS(=O)(=O)[N-]c1cncc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502935249 1072341932 /nfs/dbraw/zinc/34/19/32/1072341932.db2.gz RNZWRNOURLVGEQ-GFCCVEGCSA-N 0 3 383.474 -0.230 20 0 GBADHN CS(=O)(=O)[N-]c1cncc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502935249 1072341918 /nfs/dbraw/zinc/34/19/18/1072341918.db2.gz RNZWRNOURLVGEQ-GFCCVEGCSA-N 0 3 383.474 -0.230 20 0 GBADHN CS(=O)(=O)[N-]c1cncc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502935250 1072341295 /nfs/dbraw/zinc/34/12/95/1072341295.db2.gz RNZWRNOURLVGEQ-LBPRGKRZSA-N 0 3 383.474 -0.230 20 0 GBADHN CS(=O)(=O)[N-]c1cncc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502935250 1072341281 /nfs/dbraw/zinc/34/12/81/1072341281.db2.gz RNZWRNOURLVGEQ-LBPRGKRZSA-N 0 3 383.474 -0.230 20 0 GBADHN COC(=O)CN(C)C(=O)CCN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000502957632 530448519 /nfs/dbraw/zinc/44/85/19/530448519.db2.gz SDWDTAGESNJWDV-UHFFFAOYSA-N 0 3 375.491 -0.102 20 0 GBADHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NCC(F)(F)F ZINC000503186883 1072358386 /nfs/dbraw/zinc/35/83/86/1072358386.db2.gz QNAGCMMQNKXYIA-UHFFFAOYSA-N 0 3 379.383 -0.386 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000503198468 1072431968 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380.489 -0.172 20 0 GBADHN COc1ccc(CCNC(=O)NC[C@@]2(O)CCN(C)C2)cc1S(N)(=O)=O ZINC000507416345 1073060667 /nfs/dbraw/zinc/06/06/67/1073060667.db2.gz WBIUIFINMQSMHG-INIZCTEOSA-N 0 3 386.474 -0.749 20 0 GBADHN COc1ccc(CCNC(=O)NC[C@]2(O)CCN(C)C2)cc1S(N)(=O)=O ZINC000507416346 1073060450 /nfs/dbraw/zinc/06/04/50/1073060450.db2.gz WBIUIFINMQSMHG-MRXNPFEDSA-N 0 3 386.474 -0.749 20 0 GBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)N(CCOC)CCOC)CC1 ZINC000507534200 1073066467 /nfs/dbraw/zinc/06/64/67/1073066467.db2.gz OOAJUZMVFZFHJN-UHFFFAOYSA-N 0 3 394.538 -0.688 20 0 GBADHN C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)CN1 ZINC000507610367 1073073052 /nfs/dbraw/zinc/07/30/52/1073073052.db2.gz JDKANPTVMYJNSG-CHWSQXEVSA-N 0 3 382.486 -0.125 20 0 GBADHN C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CN1 ZINC000507610368 1073073508 /nfs/dbraw/zinc/07/35/08/1073073508.db2.gz JDKANPTVMYJNSG-OLZOCXBDSA-N 0 3 382.486 -0.125 20 0 GBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000507610369 1073073027 /nfs/dbraw/zinc/07/30/27/1073073027.db2.gz JDKANPTVMYJNSG-QWHCGFSZSA-N 0 3 382.486 -0.125 20 0 GBADHN C[C@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CN1 ZINC000507610370 1073072317 /nfs/dbraw/zinc/07/23/17/1073072317.db2.gz JDKANPTVMYJNSG-STQMWFEESA-N 0 3 382.486 -0.125 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000507681708 1073076971 /nfs/dbraw/zinc/07/69/71/1073076971.db2.gz CLUDQCDQZQYYOO-UHFFFAOYSA-N 0 3 393.532 -0.447 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000507686802 1073075692 /nfs/dbraw/zinc/07/56/92/1073075692.db2.gz CVIXRQWIVNPACQ-KRWDZBQOSA-N 0 3 395.548 -0.010 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000507686803 1073076091 /nfs/dbraw/zinc/07/60/91/1073076091.db2.gz CVIXRQWIVNPACQ-QGZVFWFLSA-N 0 3 395.548 -0.010 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCCN2CCCC2=O)CC1 ZINC000507688485 1073076720 /nfs/dbraw/zinc/07/67/20/1073076720.db2.gz 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CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000507742822 1073124579 /nfs/dbraw/zinc/12/45/79/1073124579.db2.gz WVCODAJHRQQKAM-OAHLLOKOSA-N 0 3 381.521 -0.402 20 0 GBADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000507746929 1073144911 /nfs/dbraw/zinc/14/49/11/1073144911.db2.gz JRAXPBHPSDHMOO-HNNXBMFYSA-N 0 3 381.521 -0.415 20 0 GBADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000507746930 1073145834 /nfs/dbraw/zinc/14/58/34/1073145834.db2.gz JRAXPBHPSDHMOO-OAHLLOKOSA-N 0 3 381.521 -0.415 20 0 GBADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000507749855 1073165530 /nfs/dbraw/zinc/16/55/30/1073165530.db2.gz SCXNRGPMVPRYRQ-CVEARBPZSA-N 0 3 381.521 -0.415 20 0 GBADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000507749857 1073165458 /nfs/dbraw/zinc/16/54/58/1073165458.db2.gz SCXNRGPMVPRYRQ-HOTGVXAUSA-N 0 3 381.521 -0.415 20 0 GBADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000507749858 1073165478 /nfs/dbraw/zinc/16/54/78/1073165478.db2.gz SCXNRGPMVPRYRQ-HZPDHXFCSA-N 0 3 381.521 -0.415 20 0 GBADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000507749860 1073165682 /nfs/dbraw/zinc/16/56/82/1073165682.db2.gz SCXNRGPMVPRYRQ-JKSUJKDBSA-N 0 3 381.521 -0.415 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000507766049 1073174365 /nfs/dbraw/zinc/17/43/65/1073174365.db2.gz ICWBTLARPMMOCQ-UHFFFAOYSA-N 0 3 381.399 -0.140 20 0 GBADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000507810673 1073199191 /nfs/dbraw/zinc/19/91/91/1073199191.db2.gz YZSRTGGKAWPSLV-UHFFFAOYSA-N 0 3 379.465 -0.361 20 0 GBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)[C@H]3CN4CCN3CCC4)no2)cn1 ZINC000508080337 1073217579 /nfs/dbraw/zinc/21/75/79/1073217579.db2.gz OGQHCZRPKYWOHH-CABCVRRESA-N 0 3 387.444 -0.240 20 0 GBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)[C@@H]3CN4CCN3CCC4)no2)cn1 ZINC000508080338 1073217165 /nfs/dbraw/zinc/21/71/65/1073217165.db2.gz OGQHCZRPKYWOHH-GJZGRUSLSA-N 0 3 387.444 -0.240 20 0 GBADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)[C@H]3CN4CCN3CCC4)no2)cn1 ZINC000508080339 1073217557 /nfs/dbraw/zinc/21/75/57/1073217557.db2.gz OGQHCZRPKYWOHH-HUUCEWRRSA-N 0 3 387.444 -0.240 20 0 GBADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)[C@@H]3CN4CCN3CCC4)no2)cn1 ZINC000508080340 1073217501 /nfs/dbraw/zinc/21/75/01/1073217501.db2.gz OGQHCZRPKYWOHH-LSDHHAIUSA-N 0 3 387.444 -0.240 20 0 GBADHN CC(C)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C)CCN1C ZINC000508155576 1073220278 /nfs/dbraw/zinc/22/02/78/1073220278.db2.gz YKSHDHZNHSBNCW-KGLIPLIRSA-N 0 3 386.522 -0.076 20 0 GBADHN CC(C)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C)CCN1C ZINC000508155577 1073219922 /nfs/dbraw/zinc/21/99/22/1073219922.db2.gz YKSHDHZNHSBNCW-UONOGXRCSA-N 0 3 386.522 -0.076 20 0 GBADHN CC(C)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C)CCN1C ZINC000508155578 1073220162 /nfs/dbraw/zinc/22/01/62/1073220162.db2.gz YKSHDHZNHSBNCW-ZIAGYGMSSA-N 0 3 386.522 -0.076 20 0 GBADHN CCS(=O)(=O)NCCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000508279077 1073225114 /nfs/dbraw/zinc/22/51/14/1073225114.db2.gz JDSOLMWGVQOJNB-UHFFFAOYSA-N 0 3 389.522 -0.735 20 0 GBADHN CC(C)OCCS(=O)(=O)NCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508314584 530453210 /nfs/dbraw/zinc/45/32/10/530453210.db2.gz FPUIYBBOQTUENH-UHFFFAOYSA-N 0 3 378.539 -0.527 20 0 GBADHN CN1CCN(CCNC(=O)COCC(=O)NCc2cccnc2)CC1(C)C ZINC000508321242 1073226774 /nfs/dbraw/zinc/22/67/74/1073226774.db2.gz ZYPUBZYHAJKFTH-UHFFFAOYSA-N 0 3 377.489 -0.143 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508335420 1073227498 /nfs/dbraw/zinc/22/74/98/1073227498.db2.gz OZUKKELZWYDFHT-CYBMUJFWSA-N 0 3 386.522 -0.771 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508335421 1073227832 /nfs/dbraw/zinc/22/78/32/1073227832.db2.gz OZUKKELZWYDFHT-ZDUSSCGKSA-N 0 3 386.522 -0.771 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000508507800 1073550105 /nfs/dbraw/zinc/55/01/05/1073550105.db2.gz VRWJRBJECQHOSM-HNNXBMFYSA-N 0 3 388.534 -0.882 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000508507806 1073550646 /nfs/dbraw/zinc/55/06/46/1073550646.db2.gz VRWJRBJECQHOSM-OAHLLOKOSA-N 0 3 388.534 -0.882 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 ZINC000508508515 1073551896 /nfs/dbraw/zinc/55/18/96/1073551896.db2.gz YQNGVEJJHZGOHG-UHFFFAOYSA-N 0 3 390.448 -0.200 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000508541732 1073582966 /nfs/dbraw/zinc/58/29/66/1073582966.db2.gz BQOOGHFKRCXVJA-GOSISDBHSA-N 0 3 397.564 -0.301 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000508541738 1073583321 /nfs/dbraw/zinc/58/33/21/1073583321.db2.gz BQOOGHFKRCXVJA-SFHVURJKSA-N 0 3 397.564 -0.301 20 0 GBADHN CN(CCCN(C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1)Cc1ccco1 ZINC000508550130 1073589266 /nfs/dbraw/zinc/58/92/66/1073589266.db2.gz OUVPICIORUUPKU-UHFFFAOYSA-N 0 3 376.417 -0.120 20 0 GBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000508561313 1073603493 /nfs/dbraw/zinc/60/34/93/1073603493.db2.gz GVRSJZHLYVXERB-CYBMUJFWSA-N 0 3 399.521 -0.830 20 0 GBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000508561314 1073603342 /nfs/dbraw/zinc/60/33/42/1073603342.db2.gz GVRSJZHLYVXERB-ZDUSSCGKSA-N 0 3 399.521 -0.830 20 0 GBADHN CC(C)OCCN1CCC(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000509153282 530454254 /nfs/dbraw/zinc/45/42/54/530454254.db2.gz NQWFEJHEULFDGP-HNNXBMFYSA-N 0 3 377.507 -0.011 20 0 GBADHN CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000509153285 530454232 /nfs/dbraw/zinc/45/42/32/530454232.db2.gz NQWFEJHEULFDGP-OAHLLOKOSA-N 0 3 377.507 -0.011 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)COC)CC2)CC1 ZINC000509574398 1072915049 /nfs/dbraw/zinc/91/50/49/1072915049.db2.gz WHGNGUADHLGBGB-UHFFFAOYSA-N 0 3 397.520 -0.181 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000509640365 1073633107 /nfs/dbraw/zinc/63/31/07/1073633107.db2.gz NCYWQVBPUUQYKV-ACJLOTCBSA-N 0 3 392.456 -0.473 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000509640366 1073633041 /nfs/dbraw/zinc/63/30/41/1073633041.db2.gz NCYWQVBPUUQYKV-UGSOOPFHSA-N 0 3 392.456 -0.473 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000509658982 1073653162 /nfs/dbraw/zinc/65/31/62/1073653162.db2.gz UISPYBCRPUETCP-AWEZNQCLSA-N 0 3 381.477 -0.153 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNS(=O)(=O)CC)CC1 ZINC000509687985 530454778 /nfs/dbraw/zinc/45/47/78/530454778.db2.gz XRSDMDXGNLWMTR-UHFFFAOYSA-N 0 3 377.511 -0.879 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000509723943 1073777713 /nfs/dbraw/zinc/77/77/13/1073777713.db2.gz HMIVPQMSQGVQPL-UHFFFAOYSA-N 0 3 379.461 -0.069 20 0 GBADHN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc(S(C)(=O)=O)c1 ZINC000509756071 1073762115 /nfs/dbraw/zinc/76/21/15/1073762115.db2.gz QDBRUIOFIJIKBO-JTQLQIEISA-N 0 3 385.442 -0.119 20 0 GBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000509756175 1073762001 /nfs/dbraw/zinc/76/20/01/1073762001.db2.gz QWDIVJVEKVKWGW-BFHYXJOUSA-N 0 3 394.476 -0.476 20 0 GBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000509756178 1073762093 /nfs/dbraw/zinc/76/20/93/1073762093.db2.gz QWDIVJVEKVKWGW-IHRRRGAJSA-N 0 3 394.476 -0.476 20 0 GBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000509756180 1073762133 /nfs/dbraw/zinc/76/21/33/1073762133.db2.gz QWDIVJVEKVKWGW-MELADBBJSA-N 0 3 394.476 -0.476 20 0 GBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000509756576 1073761223 /nfs/dbraw/zinc/76/12/23/1073761223.db2.gz SMCOGMDIBOBUNM-ZDUSSCGKSA-N 0 3 382.486 -0.074 20 0 GBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)CN(C)C)CC2 ZINC000509757997 1073762864 /nfs/dbraw/zinc/76/28/64/1073762864.db2.gz FJAIFBNEBNNSMR-LBPRGKRZSA-N 0 3 382.486 -0.060 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(CC(=O)NC)CC2)CC1 ZINC000509826548 1073897071 /nfs/dbraw/zinc/89/70/71/1073897071.db2.gz HYNAVQKZLPLWHL-UHFFFAOYSA-N 0 3 396.536 -0.608 20 0 GBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000509828904 1073897023 /nfs/dbraw/zinc/89/70/23/1073897023.db2.gz VIZMTCSPWOYPRT-LBPRGKRZSA-N 0 3 383.474 -0.129 20 0 GBADHN CN(C)CCn1nnnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510071366 530455359 /nfs/dbraw/zinc/45/53/59/530455359.db2.gz LXGGHRYJJIJVCW-UHFFFAOYSA-N 0 3 385.475 -0.387 20 0 GBADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000510072640 530455336 /nfs/dbraw/zinc/45/53/36/530455336.db2.gz QEASFFSXCJTRGA-GHMZBOCLSA-N 0 3 376.508 -0.639 20 0 GBADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000510072641 530455281 /nfs/dbraw/zinc/45/52/81/530455281.db2.gz QEASFFSXCJTRGA-MNOVXSKESA-N 0 3 376.508 -0.639 20 0 GBADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000510072642 530455338 /nfs/dbraw/zinc/45/53/38/530455338.db2.gz QEASFFSXCJTRGA-QWRGUYRKSA-N 0 3 376.508 -0.639 20 0 GBADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000510072643 530455367 /nfs/dbraw/zinc/45/53/67/530455367.db2.gz QEASFFSXCJTRGA-WDEREUQCSA-N 0 3 376.508 -0.639 20 0 GBADHN CN(C)CCn1nnnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510073723 530455314 /nfs/dbraw/zinc/45/53/14/530455314.db2.gz SIAUOKLNDBFHNP-UHFFFAOYSA-N 0 3 385.475 -0.387 20 0 GBADHN CO[C@H]1C[C@@H](N(C)CC(=O)N2CCN(C(=O)CN(C)[C@H]3C[C@@H](OC)C3)CC2)C1 ZINC000510126933 1072218651 /nfs/dbraw/zinc/21/86/51/1072218651.db2.gz IQZJFRBHVUKWFG-BALXVJCKSA-N 0 3 396.532 -0.124 20 0 GBADHN CNC(=O)CN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000510154454 1072237547 /nfs/dbraw/zinc/23/75/47/1072237547.db2.gz KPHUPKYGJIZHLO-UHFFFAOYSA-N 0 3 377.401 -0.701 20 0 GBADHN CN(C)C1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCOCC1 ZINC000510219969 530455914 /nfs/dbraw/zinc/45/59/14/530455914.db2.gz AAGXKMYFKLXWBI-UHFFFAOYSA-N 0 3 377.488 -0.277 20 0 GBADHN COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000510226178 1072272602 /nfs/dbraw/zinc/27/26/02/1072272602.db2.gz ZASXZPVKQUNDIV-GFCCVEGCSA-N 0 3 381.458 -0.322 20 0 GBADHN COCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)C1 ZINC000510226178 1072272591 /nfs/dbraw/zinc/27/25/91/1072272591.db2.gz ZASXZPVKQUNDIV-GFCCVEGCSA-N 0 3 381.458 -0.322 20 0 GBADHN COCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)C1 ZINC000510226178 1072272587 /nfs/dbraw/zinc/27/25/87/1072272587.db2.gz ZASXZPVKQUNDIV-GFCCVEGCSA-N 0 3 381.458 -0.322 20 0 GBADHN COCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000510226185 1072272710 /nfs/dbraw/zinc/27/27/10/1072272710.db2.gz ZASXZPVKQUNDIV-LBPRGKRZSA-N 0 3 381.458 -0.322 20 0 GBADHN COCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)C1 ZINC000510226185 1072272704 /nfs/dbraw/zinc/27/27/04/1072272704.db2.gz ZASXZPVKQUNDIV-LBPRGKRZSA-N 0 3 381.458 -0.322 20 0 GBADHN COCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)C1 ZINC000510226185 1072272699 /nfs/dbraw/zinc/27/26/99/1072272699.db2.gz ZASXZPVKQUNDIV-LBPRGKRZSA-N 0 3 381.458 -0.322 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000510338099 1072485534 /nfs/dbraw/zinc/48/55/34/1072485534.db2.gz QRMRINOYNJGLMB-HZPDHXFCSA-N 0 3 389.566 -0.017 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000510338104 1072485793 /nfs/dbraw/zinc/48/57/93/1072485793.db2.gz QRMRINOYNJGLMB-JKSUJKDBSA-N 0 3 389.566 -0.017 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339758 1072486984 /nfs/dbraw/zinc/48/69/84/1072486984.db2.gz HKYRFHUEQBJPQB-CVEARBPZSA-N 0 3 389.566 -0.159 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339760 1072486628 /nfs/dbraw/zinc/48/66/28/1072486628.db2.gz HKYRFHUEQBJPQB-HOTGVXAUSA-N 0 3 389.566 -0.159 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339761 1072486899 /nfs/dbraw/zinc/48/68/99/1072486899.db2.gz HKYRFHUEQBJPQB-HZPDHXFCSA-N 0 3 389.566 -0.159 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339762 1072486493 /nfs/dbraw/zinc/48/64/93/1072486493.db2.gz HKYRFHUEQBJPQB-JKSUJKDBSA-N 0 3 389.566 -0.159 20 0 GBADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000510359025 1072515628 /nfs/dbraw/zinc/51/56/28/1072515628.db2.gz BJAYIFMLNVGFND-AWEZNQCLSA-N 0 3 388.534 -0.283 20 0 GBADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000510359026 1072515644 /nfs/dbraw/zinc/51/56/44/1072515644.db2.gz BJAYIFMLNVGFND-CQSZACIVSA-N 0 3 388.534 -0.283 20 0 GBADHN COc1ccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000510392611 1072570306 /nfs/dbraw/zinc/57/03/06/1072570306.db2.gz CBYSPYUOXGQLJD-HNNXBMFYSA-N 0 3 376.457 -0.049 20 0 GBADHN COc1ccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000510392612 1072570074 /nfs/dbraw/zinc/57/00/74/1072570074.db2.gz CBYSPYUOXGQLJD-OAHLLOKOSA-N 0 3 376.457 -0.049 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000510401570 1072572321 /nfs/dbraw/zinc/57/23/21/1072572321.db2.gz ZXCFRJMSPOSXLF-INIZCTEOSA-N 0 3 389.504 -0.875 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000510401575 1072572793 /nfs/dbraw/zinc/57/27/93/1072572793.db2.gz ZXCFRJMSPOSXLF-MRXNPFEDSA-N 0 3 389.504 -0.875 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CCCO)CC1 ZINC000510437939 1072615086 /nfs/dbraw/zinc/61/50/86/1072615086.db2.gz KYVLNNVGEJIJDL-HNNXBMFYSA-N 0 3 382.505 -0.334 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CCCO)CC1 ZINC000510437940 1072615152 /nfs/dbraw/zinc/61/51/52/1072615152.db2.gz KYVLNNVGEJIJDL-OAHLLOKOSA-N 0 3 382.505 -0.334 20 0 GBADHN CCS(=O)(=O)NCCCN1CCCN(CCCNS(=O)(=O)CC)CC1 ZINC000510511997 530456085 /nfs/dbraw/zinc/45/60/85/530456085.db2.gz ZHVGDQNWKWVODT-UHFFFAOYSA-N 0 3 398.595 -0.347 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CCCO)CC1 ZINC000510607700 1072216107 /nfs/dbraw/zinc/21/61/07/1072216107.db2.gz QAWSIMPBDCLPOT-UHFFFAOYSA-N 0 3 384.521 -0.086 20 0 GBADHN CC(C)(CCCO)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000510631929 1072218143 /nfs/dbraw/zinc/21/81/43/1072218143.db2.gz SJBVYLYZLPRCRS-UHFFFAOYSA-N 0 3 382.505 -0.332 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000510669455 1072220836 /nfs/dbraw/zinc/22/08/36/1072220836.db2.gz OBHXPKMRJOSLMN-INIZCTEOSA-N 0 3 381.521 -0.591 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000510669456 1072220713 /nfs/dbraw/zinc/22/07/13/1072220713.db2.gz OBHXPKMRJOSLMN-MRXNPFEDSA-N 0 3 381.521 -0.591 20 0 GBADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000510748135 1072232239 /nfs/dbraw/zinc/23/22/39/1072232239.db2.gz JOFJKRTWWHLODW-CABCVRRESA-N 0 3 396.517 -0.425 20 0 GBADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000510748142 1072232334 /nfs/dbraw/zinc/23/23/34/1072232334.db2.gz JOFJKRTWWHLODW-GJZGRUSLSA-N 0 3 396.517 -0.425 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000510748767 1072232199 /nfs/dbraw/zinc/23/21/99/1072232199.db2.gz JOFJKRTWWHLODW-HUUCEWRRSA-N 0 3 396.517 -0.425 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000510748768 1072231911 /nfs/dbraw/zinc/23/19/11/1072231911.db2.gz JOFJKRTWWHLODW-LSDHHAIUSA-N 0 3 396.517 -0.425 20 0 GBADHN CC(C)(CNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)N1CCOCC1 ZINC000510750969 1072231875 /nfs/dbraw/zinc/23/18/75/1072231875.db2.gz UPXARQHDYSVPGY-CABCVRRESA-N 0 3 390.550 -0.337 20 0 GBADHN CC(C)(CNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O)N1CCOCC1 ZINC000510750974 1072232327 /nfs/dbraw/zinc/23/23/27/1072232327.db2.gz UPXARQHDYSVPGY-GJZGRUSLSA-N 0 3 390.550 -0.337 20 0 GBADHN CC(C)(CNC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O)N1CCOCC1 ZINC000510750975 1072232083 /nfs/dbraw/zinc/23/20/83/1072232083.db2.gz UPXARQHDYSVPGY-HUUCEWRRSA-N 0 3 390.550 -0.337 20 0 GBADHN CC(C)(CNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O)N1CCOCC1 ZINC000510750976 1072232059 /nfs/dbraw/zinc/23/20/59/1072232059.db2.gz UPXARQHDYSVPGY-LSDHHAIUSA-N 0 3 390.550 -0.337 20 0 GBADHN Cn1cc(S(=O)(=O)NCCN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cn1 ZINC000510766499 530456540 /nfs/dbraw/zinc/45/65/40/530456540.db2.gz QIMKJPHHXYQWIY-CHWSQXEVSA-N 0 3 379.508 -0.852 20 0 GBADHN Cn1cc(S(=O)(=O)NCCN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000510766500 530456676 /nfs/dbraw/zinc/45/66/76/530456676.db2.gz QIMKJPHHXYQWIY-OLZOCXBDSA-N 0 3 379.508 -0.852 20 0 GBADHN Cn1cc(S(=O)(=O)NCCN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cn1 ZINC000510766501 530456717 /nfs/dbraw/zinc/45/67/17/530456717.db2.gz QIMKJPHHXYQWIY-QWHCGFSZSA-N 0 3 379.508 -0.852 20 0 GBADHN Cn1cc(S(=O)(=O)NCCN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000510766502 530456392 /nfs/dbraw/zinc/45/63/92/530456392.db2.gz QIMKJPHHXYQWIY-STQMWFEESA-N 0 3 379.508 -0.852 20 0 GBADHN C[C@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000511058788 1072306578 /nfs/dbraw/zinc/30/65/78/1072306578.db2.gz ZYMCDWFVNYPVHM-MSOLQXFVSA-N 0 3 395.548 -0.548 20 0 GBADHN C[C@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000511058789 1072307324 /nfs/dbraw/zinc/30/73/24/1072307324.db2.gz ZYMCDWFVNYPVHM-QZTJIDSGSA-N 0 3 395.548 -0.548 20 0 GBADHN C[C@@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000511058790 1072307179 /nfs/dbraw/zinc/30/71/79/1072307179.db2.gz ZYMCDWFVNYPVHM-ROUUACIJSA-N 0 3 395.548 -0.548 20 0 GBADHN C[C@@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000511058791 1072307312 /nfs/dbraw/zinc/30/73/12/1072307312.db2.gz ZYMCDWFVNYPVHM-ZWKOTPCHSA-N 0 3 395.548 -0.548 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000511101485 1072340203 /nfs/dbraw/zinc/34/02/03/1072340203.db2.gz QRKNFFDSFGYWGO-UHFFFAOYSA-N 0 3 381.521 -0.983 20 0 GBADHN CC1CCN(CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000511206294 1072407693 /nfs/dbraw/zinc/40/76/93/1072407693.db2.gz CQRPYAWDTBUOOX-UHFFFAOYSA-N 0 3 381.521 -0.096 20 0 GBADHN C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1=CCN(C)CC1 ZINC000511247523 1072533398 /nfs/dbraw/zinc/53/33/98/1072533398.db2.gz JWSFUEYNHYYUII-INIZCTEOSA-N 0 3 379.505 -0.177 20 0 GBADHN C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1=CCN(C)CC1 ZINC000511247530 1072533536 /nfs/dbraw/zinc/53/35/36/1072533536.db2.gz JWSFUEYNHYYUII-MRXNPFEDSA-N 0 3 379.505 -0.177 20 0 GBADHN CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000511384694 530457786 /nfs/dbraw/zinc/45/77/86/530457786.db2.gz PXNPKUQUPFQNKA-HNNXBMFYSA-N 0 3 376.523 -0.268 20 0 GBADHN CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000511384695 530457649 /nfs/dbraw/zinc/45/76/49/530457649.db2.gz PXNPKUQUPFQNKA-OAHLLOKOSA-N 0 3 376.523 -0.268 20 0 GBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511454631 1072925168 /nfs/dbraw/zinc/92/51/68/1072925168.db2.gz OWDIVUOEDUBQPX-AWEZNQCLSA-N 0 3 383.470 -0.075 20 0 GBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511454632 1072924978 /nfs/dbraw/zinc/92/49/78/1072924978.db2.gz OWDIVUOEDUBQPX-CQSZACIVSA-N 0 3 383.470 -0.075 20 0 GBADHN CN(C)CCN1CCC(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000511485032 530458163 /nfs/dbraw/zinc/45/81/63/530458163.db2.gz WMCQEHKYJKXSJO-AWEZNQCLSA-N 0 3 375.539 -0.407 20 0 GBADHN CN(C)CCN1CCC(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000511485035 530458168 /nfs/dbraw/zinc/45/81/68/530458168.db2.gz WMCQEHKYJKXSJO-CQSZACIVSA-N 0 3 375.539 -0.407 20 0 GBADHN CN(CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC000511606391 1073298244 /nfs/dbraw/zinc/29/82/44/1073298244.db2.gz VIVAQIUOFLNGDT-BRSBDYLESA-N 0 3 396.532 -0.652 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000511711197 1073352953 /nfs/dbraw/zinc/35/29/53/1073352953.db2.gz AHISXFZZRPGEBI-UHFFFAOYSA-N 0 3 379.505 -0.693 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)CC1 ZINC000511715153 1073353869 /nfs/dbraw/zinc/35/38/69/1073353869.db2.gz LDBAWRAEJGOZHR-UHFFFAOYSA-N 0 3 375.429 -0.176 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCOCC1 ZINC000511967984 1073562016 /nfs/dbraw/zinc/56/20/16/1073562016.db2.gz QZSJPGVUGAQKHS-HNNXBMFYSA-N 0 3 380.489 -0.316 20 0 GBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCOCC1 ZINC000511967985 1073561631 /nfs/dbraw/zinc/56/16/31/1073561631.db2.gz QZSJPGVUGAQKHS-OAHLLOKOSA-N 0 3 380.489 -0.316 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000511982303 1073588689 /nfs/dbraw/zinc/58/86/89/1073588689.db2.gz KZYBZEPDFLGOMJ-HNNXBMFYSA-N 0 3 382.505 -0.070 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000511982304 1073588904 /nfs/dbraw/zinc/58/89/04/1073588904.db2.gz KZYBZEPDFLGOMJ-OAHLLOKOSA-N 0 3 382.505 -0.070 20 0 GBADHN Cn1ncc2c1ncc(C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c2[O-] ZINC000512069774 1073627625 /nfs/dbraw/zinc/62/76/25/1073627625.db2.gz OSSIOQLCLNDQFX-UHFFFAOYSA-N 0 3 386.416 -0.200 20 0 GBADHN CCN1CCN(CCC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000512207868 1073672996 /nfs/dbraw/zinc/67/29/96/1073672996.db2.gz WWKYEGGTKQIRLB-UHFFFAOYSA-N 0 3 375.521 -0.258 20 0 GBADHN CS(=O)(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cn1 ZINC000512216019 1073674264 /nfs/dbraw/zinc/67/42/64/1073674264.db2.gz WYTLJKNILMHYNZ-UHFFFAOYSA-N 0 3 399.517 -0.003 20 0 GBADHN C[C@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)N1CCN(C)CC1)N1CCN(C)CC1 ZINC000512263874 1073683825 /nfs/dbraw/zinc/68/38/25/1073683825.db2.gz AVIZANPXWWUGEP-HDICACEKSA-N 0 3 396.580 -0.825 20 0 GBADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000512306323 1073694615 /nfs/dbraw/zinc/69/46/15/1073694615.db2.gz LTYNIDBWNVTRDN-UHFFFAOYSA-N 0 3 394.501 -0.405 20 0 GBADHN O=C(N[C@H](CO)CN1CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000512350623 1073704712 /nfs/dbraw/zinc/70/47/12/1073704712.db2.gz RXHCGOYMOCIYQA-HNNXBMFYSA-N 0 3 388.476 -0.301 20 0 GBADHN O=C(N[C@@H](CO)CN1CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000512350624 1073705147 /nfs/dbraw/zinc/70/51/47/1073705147.db2.gz RXHCGOYMOCIYQA-OAHLLOKOSA-N 0 3 388.476 -0.301 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512384124 1073713455 /nfs/dbraw/zinc/71/34/55/1073713455.db2.gz KRAZOGQJULEXEI-GXTWGEPZSA-N 0 3 388.490 -0.079 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000512384125 1073713440 /nfs/dbraw/zinc/71/34/40/1073713440.db2.gz KRAZOGQJULEXEI-JSGCOSHPSA-N 0 3 388.490 -0.079 20 0 GBADHN C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)[C@H](C)N1CCOCC1 ZINC000512585688 1073846152 /nfs/dbraw/zinc/84/61/52/1073846152.db2.gz DSORJWJIFDTJAT-MSOLQXFVSA-N 0 3 385.553 -0.215 20 0 GBADHN C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)[C@@H](C)N1CCOCC1 ZINC000512585690 1073846818 /nfs/dbraw/zinc/84/68/18/1073846818.db2.gz DSORJWJIFDTJAT-QZTJIDSGSA-N 0 3 385.553 -0.215 20 0 GBADHN C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)[C@H](C)N1CCOCC1 ZINC000512585691 1073846470 /nfs/dbraw/zinc/84/64/70/1073846470.db2.gz DSORJWJIFDTJAT-ROUUACIJSA-N 0 3 385.553 -0.215 20 0 GBADHN C[C@H]([C@H](C)NC(=O)NCCCCN1CCN(CCO)CC1)N1CCOCC1 ZINC000512585692 1073846792 /nfs/dbraw/zinc/84/67/92/1073846792.db2.gz DSORJWJIFDTJAT-ZWKOTPCHSA-N 0 3 385.553 -0.215 20 0 GBADHN CC1(C)COCCN1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512606324 1073855362 /nfs/dbraw/zinc/85/53/62/1073855362.db2.gz MUPMUERHTDQFAJ-UHFFFAOYSA-N 0 3 385.553 -0.214 20 0 GBADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000512636141 1073863569 /nfs/dbraw/zinc/86/35/69/1073863569.db2.gz WXUZDLRKGKGLHT-LBPRGKRZSA-N 0 3 388.428 -0.511 20 0 GBADHN CC1(C)CN(CCNC(=O)NCCCCN2CCN(CCO)CC2)CCO1 ZINC000512637463 1073864053 /nfs/dbraw/zinc/86/40/53/1073864053.db2.gz WBKKJJABNMOGLS-UHFFFAOYSA-N 0 3 385.553 -0.214 20 0 GBADHN CC(C)(CNC(=O)NCCCCN1CCN(CCO)CC1)N1CCOCC1 ZINC000512643096 1073865051 /nfs/dbraw/zinc/86/50/51/1073865051.db2.gz VNFSLOVKRSZGRP-UHFFFAOYSA-N 0 3 385.553 -0.214 20 0 GBADHN COCCN(CCN(C)C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000512692755 530459106 /nfs/dbraw/zinc/45/91/06/530459106.db2.gz DYFJMCJOGRIJEG-CQSZACIVSA-N 0 3 379.527 -0.523 20 0 GBADHN O=C(NCCN1CCNC(=O)C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000512711532 1073871746 /nfs/dbraw/zinc/87/17/46/1073871746.db2.gz IYYHZZADLHTCDI-IBGZPJMESA-N 0 3 375.473 -0.646 20 0 GBADHN O=C(NCCN1CCNC(=O)C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000512711534 1073870307 /nfs/dbraw/zinc/87/03/07/1073870307.db2.gz IYYHZZADLHTCDI-LJQANCHMSA-N 0 3 375.473 -0.646 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(CC(F)F)CC1 ZINC000512835478 1073893608 /nfs/dbraw/zinc/89/36/08/1073893608.db2.gz VGIWPPVYJRLKLC-UHFFFAOYSA-N 0 3 377.480 -0.031 20 0 GBADHN CCN1CCN(c2ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc2)CC1 ZINC000513111536 1073933668 /nfs/dbraw/zinc/93/36/68/1073933668.db2.gz HDAQEWORZQSJTE-UHFFFAOYSA-N 0 3 383.518 -0.046 20 0 GBADHN CNC(=O)CC[C@@H]1CCCCN1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000513179508 530459523 /nfs/dbraw/zinc/45/95/23/530459523.db2.gz ZJLWSJHJWFILGS-AWEZNQCLSA-N 0 3 376.523 -0.235 20 0 GBADHN CNC(=O)CC[C@H]1CCCCN1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000513179509 530459452 /nfs/dbraw/zinc/45/94/52/530459452.db2.gz ZJLWSJHJWFILGS-CQSZACIVSA-N 0 3 376.523 -0.235 20 0 GBADHN CNC(=O)CC[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000513224267 1073954846 /nfs/dbraw/zinc/95/48/46/1073954846.db2.gz SQHWLDZUSKLBSA-INIZCTEOSA-N 0 3 381.521 -0.401 20 0 GBADHN CNC(=O)CC[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000513224268 1073954369 /nfs/dbraw/zinc/95/43/69/1073954369.db2.gz SQHWLDZUSKLBSA-MRXNPFEDSA-N 0 3 381.521 -0.401 20 0 GBADHN CCN1CCN(c2ccc(C(=O)NCCOCCS(N)(=O)=O)cc2)CC1 ZINC000513320087 1073961920 /nfs/dbraw/zinc/96/19/20/1073961920.db2.gz JMMCPQBIYPPVRV-UHFFFAOYSA-N 0 3 384.502 -0.137 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000513429793 1073968568 /nfs/dbraw/zinc/96/85/68/1073968568.db2.gz WJNGRVVPWUZTCL-AWEZNQCLSA-N 0 3 389.460 -0.811 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000513429794 1073968687 /nfs/dbraw/zinc/96/86/87/1073968687.db2.gz WJNGRVVPWUZTCL-CQSZACIVSA-N 0 3 389.460 -0.811 20 0 GBADHN C[C@H](C(=O)N(C)CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)n1cccn1 ZINC000513433259 1073969601 /nfs/dbraw/zinc/96/96/01/1073969601.db2.gz GKKKZXMLLOVKOK-CVEARBPZSA-N 0 3 392.504 -0.039 20 0 GBADHN C[C@@H](C(=O)N(C)CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)n1cccn1 ZINC000513433260 1073969832 /nfs/dbraw/zinc/96/98/32/1073969832.db2.gz GKKKZXMLLOVKOK-HOTGVXAUSA-N 0 3 392.504 -0.039 20 0 GBADHN C[C@H](C(=O)N(C)CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)n1cccn1 ZINC000513433261 1073969924 /nfs/dbraw/zinc/96/99/24/1073969924.db2.gz GKKKZXMLLOVKOK-HZPDHXFCSA-N 0 3 392.504 -0.039 20 0 GBADHN C[C@@H](C(=O)N(C)CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)n1cccn1 ZINC000513433262 1073969411 /nfs/dbraw/zinc/96/94/11/1073969411.db2.gz GKKKZXMLLOVKOK-JKSUJKDBSA-N 0 3 392.504 -0.039 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000513435379 1073969548 /nfs/dbraw/zinc/96/95/48/1073969548.db2.gz VCNVVFXAQOCTOT-INIZCTEOSA-N 0 3 386.456 -0.150 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000513435383 1073969623 /nfs/dbraw/zinc/96/96/23/1073969623.db2.gz VCNVVFXAQOCTOT-MRXNPFEDSA-N 0 3 386.456 -0.150 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1C(=O)CN(C)C1=O ZINC000513438660 1073970388 /nfs/dbraw/zinc/97/03/88/1073970388.db2.gz IZRBTQAOBNFFEE-AWEZNQCLSA-N 0 3 381.477 -0.281 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1C(=O)CN(C)C1=O ZINC000513438662 1073970643 /nfs/dbraw/zinc/97/06/43/1073970643.db2.gz IZRBTQAOBNFFEE-CQSZACIVSA-N 0 3 381.477 -0.281 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000513440622 1073970883 /nfs/dbraw/zinc/97/08/83/1073970883.db2.gz SFARNKANRSIFGX-AUUYWEPGSA-N 0 3 393.488 -0.234 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000513440623 1073970861 /nfs/dbraw/zinc/97/08/61/1073970861.db2.gz SFARNKANRSIFGX-IFXJQAMLSA-N 0 3 393.488 -0.234 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000513440625 1073970464 /nfs/dbraw/zinc/97/04/64/1073970464.db2.gz SFARNKANRSIFGX-KUHUBIRLSA-N 0 3 393.488 -0.234 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000513440627 1073970517 /nfs/dbraw/zinc/97/05/17/1073970517.db2.gz SFARNKANRSIFGX-LIRRHRJNSA-N 0 3 393.488 -0.234 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000513441365 1073970339 /nfs/dbraw/zinc/97/03/39/1073970339.db2.gz ZFIYHZJKTCJIBX-AWEZNQCLSA-N 0 3 393.488 -0.090 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000513441366 1073970408 /nfs/dbraw/zinc/97/04/08/1073970408.db2.gz ZFIYHZJKTCJIBX-CQSZACIVSA-N 0 3 393.488 -0.090 20 0 GBADHN COC[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)OC ZINC000513558544 1073978613 /nfs/dbraw/zinc/97/86/13/1073978613.db2.gz CPRBZZGEKRRTPC-CYBMUJFWSA-N 0 3 394.428 -0.128 20 0 GBADHN COC[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)OC ZINC000513558545 1073979223 /nfs/dbraw/zinc/97/92/23/1073979223.db2.gz CPRBZZGEKRRTPC-ZDUSSCGKSA-N 0 3 394.428 -0.128 20 0 GBADHN CC[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N(C)C ZINC000513719036 1072280075 /nfs/dbraw/zinc/28/00/75/1072280075.db2.gz STPPSNDIPDFNCT-HNNXBMFYSA-N 0 3 383.518 -0.010 20 0 GBADHN CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N(C)C ZINC000513719037 1072280515 /nfs/dbraw/zinc/28/05/15/1072280515.db2.gz STPPSNDIPDFNCT-OAHLLOKOSA-N 0 3 383.518 -0.010 20 0 GBADHN CC[C@H](C)[C@@H](NC(=O)C(C)S(C)(=O)=O)C(=O)NCCN1CCOCC1 ZINC000513723978 530460004 /nfs/dbraw/zinc/46/00/04/530460004.db2.gz IAVKYBUOHVLVFB-BFHYXJOUSA-N 0 3 377.507 -0.601 20 0 GBADHN CC[C@H](C)[C@H](NC(=O)C(C)S(C)(=O)=O)C(=O)NCCN1CCOCC1 ZINC000513723980 530459838 /nfs/dbraw/zinc/45/98/38/530459838.db2.gz IAVKYBUOHVLVFB-IHRRRGAJSA-N 0 3 377.507 -0.601 20 0 GBADHN CC[C@H](C)[C@@H](NC(=O)C(C)S(C)(=O)=O)C(=O)NCCN1CCOCC1 ZINC000513723981 530459956 /nfs/dbraw/zinc/45/99/56/530459956.db2.gz IAVKYBUOHVLVFB-MELADBBJSA-N 0 3 377.507 -0.601 20 0 GBADHN CC[C@H](C)[C@H](NC(=O)C(C)S(C)(=O)=O)C(=O)NCCN1CCOCC1 ZINC000513723983 530459778 /nfs/dbraw/zinc/45/97/78/530459778.db2.gz IAVKYBUOHVLVFB-MJBXVCDLSA-N 0 3 377.507 -0.601 20 0 GBADHN CCc1c(C(=O)N(CCOC)CCN(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513783103 1072432270 /nfs/dbraw/zinc/43/22/70/1072432270.db2.gz QYJBXGBTAYMEOR-UHFFFAOYSA-N 0 3 391.472 -0.155 20 0 GBADHN COC(=O)c1coc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000513793556 1072473071 /nfs/dbraw/zinc/47/30/71/1072473071.db2.gz AGIBOBIXLOYGIF-UHFFFAOYSA-N 0 3 385.442 -0.005 20 0 GBADHN CCc1c(C(=O)NCCN(C)CCOC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513822767 1072616108 /nfs/dbraw/zinc/61/61/08/1072616108.db2.gz IVIYRXGBCJXQTN-UHFFFAOYSA-N 0 3 377.445 -0.497 20 0 GBADHN CN1CCN(C(=O)CCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000513969285 1072621793 /nfs/dbraw/zinc/62/17/93/1072621793.db2.gz SQYJYOPQFDHYEU-UHFFFAOYSA-N 0 3 395.529 -0.380 20 0 GBADHN CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000514037666 1072625194 /nfs/dbraw/zinc/62/51/94/1072625194.db2.gz ICWUKYLYIKVXTD-RBSFLKMASA-N 0 3 397.472 -0.118 20 0 GBADHN CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000514037667 1072625202 /nfs/dbraw/zinc/62/52/02/1072625202.db2.gz ICWUKYLYIKVXTD-RRFJBIMHSA-N 0 3 397.472 -0.118 20 0 GBADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235634 1072637744 /nfs/dbraw/zinc/63/77/44/1072637744.db2.gz GLDLCXMUSKHKRC-CVEARBPZSA-N 0 3 398.504 -0.833 20 0 GBADHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235635 1072637151 /nfs/dbraw/zinc/63/71/51/1072637151.db2.gz GLDLCXMUSKHKRC-HOTGVXAUSA-N 0 3 398.504 -0.833 20 0 GBADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235636 1072637230 /nfs/dbraw/zinc/63/72/30/1072637230.db2.gz GLDLCXMUSKHKRC-HZPDHXFCSA-N 0 3 398.504 -0.833 20 0 GBADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235637 1072637509 /nfs/dbraw/zinc/63/75/09/1072637509.db2.gz GLDLCXMUSKHKRC-JKSUJKDBSA-N 0 3 398.504 -0.833 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000514421202 1072648244 /nfs/dbraw/zinc/64/82/44/1072648244.db2.gz XXBRIPAMFQBTCV-UHFFFAOYSA-N 0 3 386.460 -0.337 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)CC1 ZINC000514587988 1072661088 /nfs/dbraw/zinc/66/10/88/1072661088.db2.gz JKYXMDBDCBPINL-DLBZAZTESA-N 0 3 392.500 -0.221 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)CC1 ZINC000514587989 1072661078 /nfs/dbraw/zinc/66/10/78/1072661078.db2.gz JKYXMDBDCBPINL-IAGOWNOFSA-N 0 3 392.500 -0.221 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)CC1 ZINC000514587990 1072661027 /nfs/dbraw/zinc/66/10/27/1072661027.db2.gz JKYXMDBDCBPINL-IRXDYDNUSA-N 0 3 392.500 -0.221 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)CC1 ZINC000514587991 1072661041 /nfs/dbraw/zinc/66/10/41/1072661041.db2.gz JKYXMDBDCBPINL-SJORKVTESA-N 0 3 392.500 -0.221 20 0 GBADHN COC(=O)[C@@H]1CN(CC[C@@H]2CCNC2=O)[C@@H](C)CN1CC[C@H]1CCNC1=O ZINC000514610997 1072663195 /nfs/dbraw/zinc/66/31/95/1072663195.db2.gz FTWUIVYIQNKHGM-JONQDZQNSA-N 0 3 380.489 -0.414 20 0 GBADHN COC(=O)[C@@H]1CN(CC[C@@H]2CCNC2=O)[C@H](C)CN1CC[C@H]1CCNC1=O ZINC000514610998 1072663250 /nfs/dbraw/zinc/66/32/50/1072663250.db2.gz FTWUIVYIQNKHGM-QXSJWSMHSA-N 0 3 380.489 -0.414 20 0 GBADHN COC(=O)[C@@H]1CN(CC[C@@H]2CCNC2=O)[C@H](C)CN1CC[C@@H]1CCNC1=O ZINC000514610999 1072663509 /nfs/dbraw/zinc/66/35/09/1072663509.db2.gz FTWUIVYIQNKHGM-UGUYLWEFSA-N 0 3 380.489 -0.414 20 0 GBADHN COC(=O)[C@@H]1CN(CC[C@@H]2CCNC2=O)[C@@H](C)CN1CC[C@@H]1CCNC1=O ZINC000514611000 1072663483 /nfs/dbraw/zinc/66/34/83/1072663483.db2.gz FTWUIVYIQNKHGM-VGWMRTNUSA-N 0 3 380.489 -0.414 20 0 GBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C ZINC000514614800 1072664111 /nfs/dbraw/zinc/66/41/11/1072664111.db2.gz LEJXMPGWZFFHBK-GXTWGEPZSA-N 0 3 395.485 -0.867 20 0 GBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C ZINC000514614801 1072664064 /nfs/dbraw/zinc/66/40/64/1072664064.db2.gz LEJXMPGWZFFHBK-JSGCOSHPSA-N 0 3 395.485 -0.867 20 0 GBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C ZINC000514614902 1072664148 /nfs/dbraw/zinc/66/41/48/1072664148.db2.gz LEJXMPGWZFFHBK-OCCSQVGLSA-N 0 3 395.485 -0.867 20 0 GBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C ZINC000514614903 1072664334 /nfs/dbraw/zinc/66/43/34/1072664334.db2.gz LEJXMPGWZFFHBK-TZMCWYRMSA-N 0 3 395.485 -0.867 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000514673852 530328761 /nfs/dbraw/zinc/32/87/61/530328761.db2.gz SJASTQXNSCGLDK-LLVKDONJSA-N 0 3 378.401 -0.180 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCNC[C@H]1C(F)F ZINC000514673855 530328812 /nfs/dbraw/zinc/32/88/12/530328812.db2.gz SJASTQXNSCGLDK-NSHDSACASA-N 0 3 378.401 -0.180 20 0 GBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676604 1072668789 /nfs/dbraw/zinc/66/87/89/1072668789.db2.gz CQMWQJFGKXGBHX-CHWSQXEVSA-N 0 3 377.445 -0.491 20 0 GBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676605 1073889650 /nfs/dbraw/zinc/88/96/50/1073889650.db2.gz CQMWQJFGKXGBHX-OLZOCXBDSA-N 0 3 377.445 -0.491 20 0 GBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676606 1073890012 /nfs/dbraw/zinc/89/00/12/1073890012.db2.gz CQMWQJFGKXGBHX-QWHCGFSZSA-N 0 3 377.445 -0.491 20 0 GBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676607 1072668607 /nfs/dbraw/zinc/66/86/07/1072668607.db2.gz CQMWQJFGKXGBHX-STQMWFEESA-N 0 3 377.445 -0.491 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514677356 1073891261 /nfs/dbraw/zinc/89/12/61/1073891261.db2.gz GSRDPKOTJUTDCB-ILXRZTDVSA-N 0 3 384.444 -0.955 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514677380 1073891161 /nfs/dbraw/zinc/89/11/61/1073891161.db2.gz GSRDPKOTJUTDCB-KFWWJZLASA-N 0 3 384.444 -0.955 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514677383 1072667961 /nfs/dbraw/zinc/66/79/61/1072667961.db2.gz GSRDPKOTJUTDCB-KKUMJFAQSA-N 0 3 384.444 -0.955 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514677385 1072668132 /nfs/dbraw/zinc/66/81/32/1072668132.db2.gz GSRDPKOTJUTDCB-ZNMIVQPWSA-N 0 3 384.444 -0.955 20 0 GBADHN N[C@H]1C[C@@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CCN2C1=O ZINC000514677730 530331426 /nfs/dbraw/zinc/33/14/26/530331426.db2.gz KPFAYCFGDALGFE-BDAKNGLRSA-N 0 3 390.263 -0.760 20 0 GBADHN N[C@@H]1C[C@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CCN2C1=O ZINC000514677736 530331397 /nfs/dbraw/zinc/33/13/97/530331397.db2.gz KPFAYCFGDALGFE-DTWKUNHWSA-N 0 3 390.263 -0.760 20 0 GBADHN N[C@H]1C[C@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CCN2C1=O ZINC000514677740 530331472 /nfs/dbraw/zinc/33/14/72/530331472.db2.gz KPFAYCFGDALGFE-IUCAKERBSA-N 0 3 390.263 -0.760 20 0 GBADHN N[C@@H]1C[C@@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CCN2C1=O ZINC000514677742 530331449 /nfs/dbraw/zinc/33/14/49/530331449.db2.gz KPFAYCFGDALGFE-RKDXNWHRSA-N 0 3 390.263 -0.760 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678751 530331860 /nfs/dbraw/zinc/33/18/60/530331860.db2.gz VDLIQNRYHBPUOU-CHWSQXEVSA-N 0 3 395.257 -0.051 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678758 530331737 /nfs/dbraw/zinc/33/17/37/530331737.db2.gz VDLIQNRYHBPUOU-OLZOCXBDSA-N 0 3 395.257 -0.051 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678759 530332015 /nfs/dbraw/zinc/33/20/15/530332015.db2.gz VDLIQNRYHBPUOU-QWHCGFSZSA-N 0 3 395.257 -0.051 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678760 530331968 /nfs/dbraw/zinc/33/19/68/530331968.db2.gz VDLIQNRYHBPUOU-STQMWFEESA-N 0 3 395.257 -0.051 20 0 GBADHN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514678857 1073894672 /nfs/dbraw/zinc/89/46/72/1073894672.db2.gz WBPLACGLLRPXAK-BMFZPTHFSA-N 0 3 388.468 -0.251 20 0 GBADHN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514678860 1072668014 /nfs/dbraw/zinc/66/80/14/1072668014.db2.gz WBPLACGLLRPXAK-FVQBIDKESA-N 0 3 388.468 -0.251 20 0 GBADHN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514678863 1072668034 /nfs/dbraw/zinc/66/80/34/1072668034.db2.gz WBPLACGLLRPXAK-KBMXLJTQSA-N 0 3 388.468 -0.251 20 0 GBADHN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514678868 1072667929 /nfs/dbraw/zinc/66/79/29/1072667929.db2.gz WBPLACGLLRPXAK-VNQPRFMTSA-N 0 3 388.468 -0.251 20 0 GBADHN CN1CCN(CCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1(C)C ZINC000514708439 1072671671 /nfs/dbraw/zinc/67/16/71/1072671671.db2.gz USFVXFLVEFJBSP-UHFFFAOYSA-N 0 3 390.488 -0.819 20 0 GBADHN CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CCN1 ZINC000514792072 1072680584 /nfs/dbraw/zinc/68/05/84/1072680584.db2.gz GXEHWKUMKRIAJI-UHFFFAOYSA-N 0 3 382.486 -0.005 20 0 GBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000514792439 1072680591 /nfs/dbraw/zinc/68/05/91/1072680591.db2.gz MOZNCPNJEYEQNC-KRWDZBQOSA-N 0 3 396.513 -0.449 20 0 GBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000514792440 1072680472 /nfs/dbraw/zinc/68/04/72/1072680472.db2.gz MOZNCPNJEYEQNC-QGZVFWFLSA-N 0 3 396.513 -0.449 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000514817700 1072684243 /nfs/dbraw/zinc/68/42/43/1072684243.db2.gz AKQKJUPEORILQK-UHFFFAOYSA-N 0 3 381.521 -0.937 20 0 GBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000514822850 1072683607 /nfs/dbraw/zinc/68/36/07/1072683607.db2.gz HFHPVTVDBDDSIR-ZDUSSCGKSA-N 0 3 385.490 -0.368 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000514843919 1072685356 /nfs/dbraw/zinc/68/53/56/1072685356.db2.gz NJNBYIZKXSGFRC-DLBZAZTESA-N 0 3 393.532 -0.258 20 0 GBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000514843920 1072685473 /nfs/dbraw/zinc/68/54/73/1072685473.db2.gz NJNBYIZKXSGFRC-IAGOWNOFSA-N 0 3 393.532 -0.258 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000514843921 1072685401 /nfs/dbraw/zinc/68/54/01/1072685401.db2.gz NJNBYIZKXSGFRC-IRXDYDNUSA-N 0 3 393.532 -0.258 20 0 GBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000514843922 1072685442 /nfs/dbraw/zinc/68/54/42/1072685442.db2.gz NJNBYIZKXSGFRC-SJORKVTESA-N 0 3 393.532 -0.258 20 0 GBADHN O=S(=O)(c1ccc(CNC[C@H](O)CN2CCOCC2)cc1)N1CCOCC1 ZINC000514855929 1072689217 /nfs/dbraw/zinc/68/92/17/1072689217.db2.gz GZVGPFGFUGOSJB-KRWDZBQOSA-N 0 3 399.513 -0.510 20 0 GBADHN O=S(=O)(c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1)N1CCOCC1 ZINC000514855930 1072688957 /nfs/dbraw/zinc/68/89/57/1072688957.db2.gz GZVGPFGFUGOSJB-QGZVFWFLSA-N 0 3 399.513 -0.510 20 0 GBADHN O=C(C[C@H]1CSCCN1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856098 530372615 /nfs/dbraw/zinc/37/26/15/530372615.db2.gz QRSPFACCKWTVKT-KBPBESRZSA-N 0 3 377.532 -0.266 20 0 GBADHN O=C(C[C@@H]1CSCCN1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856099 530372966 /nfs/dbraw/zinc/37/29/66/530372966.db2.gz QRSPFACCKWTVKT-KGLIPLIRSA-N 0 3 377.532 -0.266 20 0 GBADHN O=C(C[C@H]1CSCCN1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856100 530372712 /nfs/dbraw/zinc/37/27/12/530372712.db2.gz QRSPFACCKWTVKT-UONOGXRCSA-N 0 3 377.532 -0.266 20 0 GBADHN O=C(C[C@@H]1CSCCN1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856101 530372682 /nfs/dbraw/zinc/37/26/82/530372682.db2.gz QRSPFACCKWTVKT-ZIAGYGMSSA-N 0 3 377.532 -0.266 20 0 GBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)O1 ZINC000514861712 1072690283 /nfs/dbraw/zinc/69/02/83/1072690283.db2.gz PNXHUWUIJWYZPO-OIISXLGYSA-N 0 3 388.468 -0.177 20 0 GBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)O1 ZINC000514861713 1072690440 /nfs/dbraw/zinc/69/04/40/1072690440.db2.gz PNXHUWUIJWYZPO-PVAVHDDUSA-N 0 3 388.468 -0.177 20 0 GBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)O1 ZINC000514861714 1072690552 /nfs/dbraw/zinc/69/05/52/1072690552.db2.gz PNXHUWUIJWYZPO-UAGQMJEPSA-N 0 3 388.468 -0.177 20 0 GBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)O1 ZINC000514861715 1072690430 /nfs/dbraw/zinc/69/04/30/1072690430.db2.gz PNXHUWUIJWYZPO-XIRDDKMYSA-N 0 3 388.468 -0.177 20 0 GBADHN CNC(=O)[C@H](CNC(=O)C(=O)N1CCCNCC1)Cc1ccc(OC)c(F)c1 ZINC000514940298 1072694828 /nfs/dbraw/zinc/69/48/28/1072694828.db2.gz SHSLRESYLLHRQD-AWEZNQCLSA-N 0 3 394.447 -0.323 20 0 GBADHN CNC(=O)[C@@H](CNC(=O)C(=O)N1CCCNCC1)Cc1ccc(OC)c(F)c1 ZINC000514940301 1072694702 /nfs/dbraw/zinc/69/47/02/1072694702.db2.gz SHSLRESYLLHRQD-CQSZACIVSA-N 0 3 394.447 -0.323 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCNC(=O)c3cccc(F)c3)CCN2C1=O ZINC000514951262 1072694930 /nfs/dbraw/zinc/69/49/30/1072694930.db2.gz LNFKFQCWUGCNJI-CABCVRRESA-N 0 3 377.420 -0.101 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCNC(=O)c3cccc(F)c3)CCN2C1=O ZINC000514951264 1072695093 /nfs/dbraw/zinc/69/50/93/1072695093.db2.gz LNFKFQCWUGCNJI-GJZGRUSLSA-N 0 3 377.420 -0.101 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCNC(=O)c3cccc(F)c3)CCN2C1=O ZINC000514951266 1072694765 /nfs/dbraw/zinc/69/47/65/1072694765.db2.gz LNFKFQCWUGCNJI-HUUCEWRRSA-N 0 3 377.420 -0.101 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCNC(=O)c3cccc(F)c3)CCN2C1=O ZINC000514951267 1072695026 /nfs/dbraw/zinc/69/50/26/1072695026.db2.gz LNFKFQCWUGCNJI-LSDHHAIUSA-N 0 3 377.420 -0.101 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C1=O ZINC000514952813 1072695051 /nfs/dbraw/zinc/69/50/51/1072695051.db2.gz XYJWWXKSEOQIEL-CMPLNLGQSA-N 0 3 389.387 -0.581 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C1=O ZINC000514952817 1072695080 /nfs/dbraw/zinc/69/50/80/1072695080.db2.gz XYJWWXKSEOQIEL-JQWIXIFHSA-N 0 3 389.387 -0.581 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C1=O ZINC000514952820 1072694860 /nfs/dbraw/zinc/69/48/60/1072694860.db2.gz XYJWWXKSEOQIEL-PWSUYJOCSA-N 0 3 389.387 -0.581 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C1=O ZINC000514952822 1072694911 /nfs/dbraw/zinc/69/49/11/1072694911.db2.gz XYJWWXKSEOQIEL-ZYHUDNBSSA-N 0 3 389.387 -0.581 20 0 GBADHN Cc1nc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cn2n1 ZINC000515018404 1072698467 /nfs/dbraw/zinc/69/84/67/1072698467.db2.gz DBCYYPZFKSCDHI-UHFFFAOYSA-N 0 3 399.455 -0.257 20 0 GBADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000515066322 1072701141 /nfs/dbraw/zinc/70/11/41/1072701141.db2.gz LVHJJACMPGQWHN-CVEARBPZSA-N 0 3 383.537 -0.646 20 0 GBADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000515066323 1072701184 /nfs/dbraw/zinc/70/11/84/1072701184.db2.gz LVHJJACMPGQWHN-HOTGVXAUSA-N 0 3 383.537 -0.646 20 0 GBADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H](C)N1CCOCC1 ZINC000515066324 1072701199 /nfs/dbraw/zinc/70/11/99/1072701199.db2.gz LVHJJACMPGQWHN-HZPDHXFCSA-N 0 3 383.537 -0.646 20 0 GBADHN C[C@H]([C@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)N1CCOCC1 ZINC000515066325 1072701529 /nfs/dbraw/zinc/70/15/29/1072701529.db2.gz LVHJJACMPGQWHN-JKSUJKDBSA-N 0 3 383.537 -0.646 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000515073104 1072703432 /nfs/dbraw/zinc/70/34/32/1072703432.db2.gz FTKGLPTYHIBWJB-DOMZBBRYSA-N 0 3 394.859 -0.222 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000515073107 1072703368 /nfs/dbraw/zinc/70/33/68/1072703368.db2.gz FTKGLPTYHIBWJB-IUODEOHRSA-N 0 3 394.859 -0.222 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Cl)c1 ZINC000515073108 1072703593 /nfs/dbraw/zinc/70/35/93/1072703593.db2.gz FTKGLPTYHIBWJB-SWLSCSKDSA-N 0 3 394.859 -0.222 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Cl)c1 ZINC000515073109 1072703124 /nfs/dbraw/zinc/70/31/24/1072703124.db2.gz FTKGLPTYHIBWJB-WFASDCNBSA-N 0 3 394.859 -0.222 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(OC(F)F)c3)CCN2C1=O ZINC000515073521 1072703098 /nfs/dbraw/zinc/70/30/98/1072703098.db2.gz KJGSCZRSMASYLD-AAEUAGOBSA-N 0 3 382.367 -0.325 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(OC(F)F)c3)CCN2C1=O ZINC000515073522 1072703066 /nfs/dbraw/zinc/70/30/66/1072703066.db2.gz KJGSCZRSMASYLD-DGCLKSJQSA-N 0 3 382.367 -0.325 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(OC(F)F)c3)CCN2C1=O ZINC000515073524 1072703210 /nfs/dbraw/zinc/70/32/10/1072703210.db2.gz KJGSCZRSMASYLD-WCQYABFASA-N 0 3 382.367 -0.325 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(OC(F)F)c3)CCN2C1=O ZINC000515073527 1072703556 /nfs/dbraw/zinc/70/35/56/1072703556.db2.gz KJGSCZRSMASYLD-YPMHNXCESA-N 0 3 382.367 -0.325 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000515093702 1072703457 /nfs/dbraw/zinc/70/34/57/1072703457.db2.gz PHJIBPNQJIYJAW-CABCVRRESA-N 0 3 386.518 -0.387 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000515093703 1072703402 /nfs/dbraw/zinc/70/34/02/1072703402.db2.gz PHJIBPNQJIYJAW-HUUCEWRRSA-N 0 3 386.518 -0.387 20 0 GBADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1 ZINC000515141403 1072705577 /nfs/dbraw/zinc/70/55/77/1072705577.db2.gz DQKIJLIKNXHZIY-UHFFFAOYSA-N 0 3 383.474 -0.406 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000515157849 1072707933 /nfs/dbraw/zinc/70/79/33/1072707933.db2.gz KRSVDJFRQAPZAL-CYBMUJFWSA-N 0 3 375.429 -0.524 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000515157850 1072708298 /nfs/dbraw/zinc/70/82/98/1072708298.db2.gz KRSVDJFRQAPZAL-ZDUSSCGKSA-N 0 3 375.429 -0.524 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](N[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC000515249403 1072716482 /nfs/dbraw/zinc/71/64/82/1072716482.db2.gz GXSIZMACTMJNDU-CABNGKKXSA-N 0 3 391.472 -0.526 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](N[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC000515249404 1072716367 /nfs/dbraw/zinc/71/63/67/1072716367.db2.gz GXSIZMACTMJNDU-DEQVHRJGSA-N 0 3 391.472 -0.526 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](N[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC000515249405 1072716218 /nfs/dbraw/zinc/71/62/18/1072716218.db2.gz GXSIZMACTMJNDU-PYJNHQTQSA-N 0 3 391.472 -0.526 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](N[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC000515249406 1072716447 /nfs/dbraw/zinc/71/64/47/1072716447.db2.gz GXSIZMACTMJNDU-SAXRGWBVSA-N 0 3 391.472 -0.526 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CCN2C1=O ZINC000515312644 1072719120 /nfs/dbraw/zinc/71/91/20/1072719120.db2.gz ONMOQLCMQQXWRZ-CABCVRRESA-N 0 3 385.424 -0.256 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CCN2C1=O ZINC000515312645 1072719623 /nfs/dbraw/zinc/71/96/23/1072719623.db2.gz ONMOQLCMQQXWRZ-GJZGRUSLSA-N 0 3 385.424 -0.256 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CCN2C1=O ZINC000515312646 1072719708 /nfs/dbraw/zinc/71/97/08/1072719708.db2.gz ONMOQLCMQQXWRZ-HUUCEWRRSA-N 0 3 385.424 -0.256 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CCN2C1=O ZINC000515312647 1072719850 /nfs/dbraw/zinc/71/98/50/1072719850.db2.gz ONMOQLCMQQXWRZ-LSDHHAIUSA-N 0 3 385.424 -0.256 20 0 GBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000515355777 1072721546 /nfs/dbraw/zinc/72/15/46/1072721546.db2.gz KLLKVEQDVALQKK-GJZGRUSLSA-N 0 3 384.458 -0.943 20 0 GBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000515356792 1072721451 /nfs/dbraw/zinc/72/14/51/1072721451.db2.gz IRGFLRFIUUMGBB-CORIIIEPSA-N 0 3 395.485 -0.391 20 0 GBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000515356793 1072721189 /nfs/dbraw/zinc/72/11/89/1072721189.db2.gz IRGFLRFIUUMGBB-LNSITVRQSA-N 0 3 395.485 -0.391 20 0 GBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000515356794 1072721328 /nfs/dbraw/zinc/72/13/28/1072721328.db2.gz IRGFLRFIUUMGBB-NJZAAPMLSA-N 0 3 395.485 -0.391 20 0 GBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000515356795 1072721521 /nfs/dbraw/zinc/72/15/21/1072721521.db2.gz IRGFLRFIUUMGBB-WHOFXGATSA-N 0 3 395.485 -0.391 20 0 GBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000515374533 1072722032 /nfs/dbraw/zinc/72/20/32/1072722032.db2.gz TZJACATVCFFNJU-DLBZAZTESA-N 0 3 384.521 -0.456 20 0 GBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000515374534 1072721994 /nfs/dbraw/zinc/72/19/94/1072721994.db2.gz TZJACATVCFFNJU-IAGOWNOFSA-N 0 3 384.521 -0.456 20 0 GBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000515374535 1072722546 /nfs/dbraw/zinc/72/25/46/1072722546.db2.gz TZJACATVCFFNJU-IRXDYDNUSA-N 0 3 384.521 -0.456 20 0 GBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000515374536 1072722482 /nfs/dbraw/zinc/72/24/82/1072722482.db2.gz TZJACATVCFFNJU-SJORKVTESA-N 0 3 384.521 -0.456 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)CCN2C1=O ZINC000515434552 530373709 /nfs/dbraw/zinc/37/37/09/530373709.db2.gz MBHHJSYYEKGVRL-CHWSQXEVSA-N 0 3 395.257 -0.164 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)CCN2C1=O ZINC000515434556 530373704 /nfs/dbraw/zinc/37/37/04/530373704.db2.gz MBHHJSYYEKGVRL-OLZOCXBDSA-N 0 3 395.257 -0.164 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)CCN2C1=O ZINC000515434557 530373642 /nfs/dbraw/zinc/37/36/42/530373642.db2.gz MBHHJSYYEKGVRL-QWHCGFSZSA-N 0 3 395.257 -0.164 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)CCN2C1=O ZINC000515434558 530373675 /nfs/dbraw/zinc/37/36/75/530373675.db2.gz MBHHJSYYEKGVRL-STQMWFEESA-N 0 3 395.257 -0.164 20 0 GBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1 ZINC000515434791 1072724797 /nfs/dbraw/zinc/72/47/97/1072724797.db2.gz PLCKTTDLOATMBJ-CABCVRRESA-N 0 3 390.440 -0.022 20 0 GBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1 ZINC000515434795 1072724704 /nfs/dbraw/zinc/72/47/04/1072724704.db2.gz PLCKTTDLOATMBJ-GJZGRUSLSA-N 0 3 390.440 -0.022 20 0 GBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1 ZINC000515434796 1072724928 /nfs/dbraw/zinc/72/49/28/1072724928.db2.gz PLCKTTDLOATMBJ-HUUCEWRRSA-N 0 3 390.440 -0.022 20 0 GBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1 ZINC000515434797 1072724899 /nfs/dbraw/zinc/72/48/99/1072724899.db2.gz PLCKTTDLOATMBJ-LSDHHAIUSA-N 0 3 390.440 -0.022 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000515435077 1072725106 /nfs/dbraw/zinc/72/51/06/1072725106.db2.gz WBWOSWHLYPMQLU-DUBDDPSESA-N 0 3 396.369 -0.154 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000515435078 1072725062 /nfs/dbraw/zinc/72/50/62/1072725062.db2.gz WBWOSWHLYPMQLU-RDBQEKCUSA-N 0 3 396.369 -0.154 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000515435080 1072724620 /nfs/dbraw/zinc/72/46/20/1072724620.db2.gz WBWOSWHLYPMQLU-XXSPCDMZSA-N 0 3 396.369 -0.154 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCCO1 ZINC000515479043 1072726439 /nfs/dbraw/zinc/72/64/39/1072726439.db2.gz WCNUCCVGAZLIJZ-ARFHVFGLSA-N 0 3 396.488 -0.938 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CCCO1 ZINC000515479044 1072726878 /nfs/dbraw/zinc/72/68/78/1072726878.db2.gz WCNUCCVGAZLIJZ-HRCADAONSA-N 0 3 396.488 -0.938 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCCO1 ZINC000515479045 1072726530 /nfs/dbraw/zinc/72/65/30/1072726530.db2.gz WCNUCCVGAZLIJZ-JYJNAYRXSA-N 0 3 396.488 -0.938 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCCO1 ZINC000515479046 1072726837 /nfs/dbraw/zinc/72/68/37/1072726837.db2.gz WCNUCCVGAZLIJZ-XHSDSOJGSA-N 0 3 396.488 -0.938 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)CC2 ZINC000515492343 1072726423 /nfs/dbraw/zinc/72/64/23/1072726423.db2.gz DUHDDQZLNUFBGL-CABCVRRESA-N 0 3 390.488 -0.058 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)CC2 ZINC000515492344 1072726649 /nfs/dbraw/zinc/72/66/49/1072726649.db2.gz DUHDDQZLNUFBGL-GJZGRUSLSA-N 0 3 390.488 -0.058 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)CC2 ZINC000515492345 1072726586 /nfs/dbraw/zinc/72/65/86/1072726586.db2.gz DUHDDQZLNUFBGL-HUUCEWRRSA-N 0 3 390.488 -0.058 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)CC2 ZINC000515492346 1072727550 /nfs/dbraw/zinc/72/75/50/1072727550.db2.gz DUHDDQZLNUFBGL-LSDHHAIUSA-N 0 3 390.488 -0.058 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOCc3ccc(Cl)cc3)CCN2C1=O ZINC000515498694 1072726336 /nfs/dbraw/zinc/72/63/36/1072726336.db2.gz ANZCYNCOUGHQQX-CABCVRRESA-N 0 3 394.859 -0.257 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOCc3ccc(Cl)cc3)CCN2C1=O ZINC000515498700 1072726506 /nfs/dbraw/zinc/72/65/06/1072726506.db2.gz ANZCYNCOUGHQQX-GJZGRUSLSA-N 0 3 394.859 -0.257 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOCc3ccc(Cl)cc3)CCN2C1=O ZINC000515498701 1072726702 /nfs/dbraw/zinc/72/67/02/1072726702.db2.gz ANZCYNCOUGHQQX-HUUCEWRRSA-N 0 3 394.859 -0.257 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOCc3ccc(Cl)cc3)CCN2C1=O ZINC000515498702 1072726572 /nfs/dbraw/zinc/72/65/72/1072726572.db2.gz ANZCYNCOUGHQQX-LSDHHAIUSA-N 0 3 394.859 -0.257 20 0 GBADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@@]1(O)CN2CCC1CC2 ZINC000515499073 530373452 /nfs/dbraw/zinc/37/34/52/530373452.db2.gz KNJZTLZJSNZOSD-GFCCVEGCSA-N 0 3 380.396 -0.100 20 0 GBADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@]1(O)CN2CCC1CC2 ZINC000515499074 530373616 /nfs/dbraw/zinc/37/36/16/530373616.db2.gz KNJZTLZJSNZOSD-LBPRGKRZSA-N 0 3 380.396 -0.100 20 0 GBADHN CC1(C)c2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc2NC1=O ZINC000515499297 1072726495 /nfs/dbraw/zinc/72/64/95/1072726495.db2.gz DTZWXDZIKRSOJW-GWCFXTLKSA-N 0 3 378.454 -0.151 20 0 GBADHN CC1(C)c2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc2NC1=O ZINC000515499299 1072726481 /nfs/dbraw/zinc/72/64/81/1072726481.db2.gz DTZWXDZIKRSOJW-GXFFZTMASA-N 0 3 378.454 -0.151 20 0 GBADHN CC1(C)c2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc2NC1=O ZINC000515499300 1072726750 /nfs/dbraw/zinc/72/67/50/1072726750.db2.gz DTZWXDZIKRSOJW-MFKMUULPSA-N 0 3 378.454 -0.151 20 0 GBADHN CC1(C)c2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2NC1=O ZINC000515499301 1072726682 /nfs/dbraw/zinc/72/66/82/1072726682.db2.gz DTZWXDZIKRSOJW-ZWNOBZJWSA-N 0 3 378.454 -0.151 20 0 GBADHN CN(CCC[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000515500666 530373627 /nfs/dbraw/zinc/37/36/27/530373627.db2.gz OGAJWQFMISXQAM-UHFFFAOYSA-N 0 3 394.856 -0.319 20 0 GBADHN COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000515519153 1072727230 /nfs/dbraw/zinc/72/72/30/1072727230.db2.gz IUZJNGYMKFPCGH-HNNXBMFYSA-N 0 3 389.456 -0.529 20 0 GBADHN COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000515519155 1072727213 /nfs/dbraw/zinc/72/72/13/1072727213.db2.gz IUZJNGYMKFPCGH-OAHLLOKOSA-N 0 3 389.456 -0.529 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCOC2(C[NH2+]C2)C1 ZINC000515523764 1072727440 /nfs/dbraw/zinc/72/74/40/1072727440.db2.gz SKYCHDYXJYEWCT-UHFFFAOYSA-N 0 3 390.412 -0.373 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000515634637 1072733934 /nfs/dbraw/zinc/73/39/34/1072733934.db2.gz WMNPFGQQTYFZBG-OWCLPIDISA-N 0 3 377.489 -0.896 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000515634638 1072733436 /nfs/dbraw/zinc/73/34/36/1072733436.db2.gz WMNPFGQQTYFZBG-XHSDSOJGSA-N 0 3 377.489 -0.896 20 0 GBADHN C[C@@H]1CN(C[C@@H](O)CNCCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000515637384 530481196 /nfs/dbraw/zinc/48/11/96/530481196.db2.gz KHKUDRIQJQYTDI-GUTXKFCHSA-N 0 3 376.479 -0.846 20 0 GBADHN C[C@@H]1CN(C[C@@H](O)CNCCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 ZINC000515637385 530481191 /nfs/dbraw/zinc/48/11/91/530481191.db2.gz KHKUDRIQJQYTDI-NFAWXSAZSA-N 0 3 376.479 -0.846 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNCCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 ZINC000515637386 530481295 /nfs/dbraw/zinc/48/12/95/530481295.db2.gz KHKUDRIQJQYTDI-UMVBOHGHSA-N 0 3 376.479 -0.846 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNCCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000515637387 530481106 /nfs/dbraw/zinc/48/11/06/530481106.db2.gz KHKUDRIQJQYTDI-VNHYZAJKSA-N 0 3 376.479 -0.846 20 0 GBADHN CCOC(=O)CN1CCCN(C(=O)C2(S(C)(=O)=O)CCNCC2)CC1 ZINC000515651660 530373486 /nfs/dbraw/zinc/37/34/86/530373486.db2.gz FSIYRMGCHSEZAK-UHFFFAOYSA-N 0 3 375.491 -0.749 20 0 GBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000515672557 1072735258 /nfs/dbraw/zinc/73/52/58/1072735258.db2.gz DUUOEPIOGJIJFS-KBPBESRZSA-N 0 3 398.427 -0.931 20 0 GBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000515672558 1072735542 /nfs/dbraw/zinc/73/55/42/1072735542.db2.gz DUUOEPIOGJIJFS-KGLIPLIRSA-N 0 3 398.427 -0.931 20 0 GBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000515672559 1072735370 /nfs/dbraw/zinc/73/53/70/1072735370.db2.gz DUUOEPIOGJIJFS-UONOGXRCSA-N 0 3 398.427 -0.931 20 0 GBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000515672560 1072735445 /nfs/dbraw/zinc/73/54/45/1072735445.db2.gz DUUOEPIOGJIJFS-ZIAGYGMSSA-N 0 3 398.427 -0.931 20 0 GBADHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)no1 ZINC000515672605 1072735556 /nfs/dbraw/zinc/73/55/56/1072735556.db2.gz FTUSUUWTNAUYOE-KBPBESRZSA-N 0 3 384.396 -0.246 20 0 GBADHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)no1 ZINC000515672606 1072735619 /nfs/dbraw/zinc/73/56/19/1072735619.db2.gz FTUSUUWTNAUYOE-KGLIPLIRSA-N 0 3 384.396 -0.246 20 0 GBADHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)no1 ZINC000515672607 1072735147 /nfs/dbraw/zinc/73/51/47/1072735147.db2.gz FTUSUUWTNAUYOE-UONOGXRCSA-N 0 3 384.396 -0.246 20 0 GBADHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)no1 ZINC000515672608 1072735694 /nfs/dbraw/zinc/73/56/94/1072735694.db2.gz FTUSUUWTNAUYOE-ZIAGYGMSSA-N 0 3 384.396 -0.246 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000515680462 1072737540 /nfs/dbraw/zinc/73/75/40/1072737540.db2.gz LDWGHLKIPYVVEN-DLBZAZTESA-N 0 3 390.532 -0.189 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000515680463 1072737845 /nfs/dbraw/zinc/73/78/45/1072737845.db2.gz LDWGHLKIPYVVEN-IAGOWNOFSA-N 0 3 390.532 -0.189 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000515680464 1072737701 /nfs/dbraw/zinc/73/77/01/1072737701.db2.gz LDWGHLKIPYVVEN-IRXDYDNUSA-N 0 3 390.532 -0.189 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000515680465 1072737738 /nfs/dbraw/zinc/73/77/38/1072737738.db2.gz LDWGHLKIPYVVEN-SJORKVTESA-N 0 3 390.532 -0.189 20 0 GBADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000515693598 1072736587 /nfs/dbraw/zinc/73/65/87/1072736587.db2.gz XUHFHYFCPQBEAQ-BJZITVGISA-N 0 3 390.488 -0.020 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000515693599 1072736169 /nfs/dbraw/zinc/73/61/69/1072736169.db2.gz XUHFHYFCPQBEAQ-LSBZLQRGSA-N 0 3 390.488 -0.020 20 0 GBADHN CO[C@@H](C)CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000515718190 1072738307 /nfs/dbraw/zinc/73/83/07/1072738307.db2.gz AVGUDUKUDOXBJJ-KRWDZBQOSA-N 0 3 384.521 -0.265 20 0 GBADHN CO[C@H](C)CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000515718191 1072738359 /nfs/dbraw/zinc/73/83/59/1072738359.db2.gz AVGUDUKUDOXBJJ-QGZVFWFLSA-N 0 3 384.521 -0.265 20 0 GBADHN CCN(CCCNC(=O)NC1CCN(CCN(C)C)CC1)S(C)(=O)=O ZINC000515830681 530374050 /nfs/dbraw/zinc/37/40/50/530374050.db2.gz LOHJQFQOMDBRMK-UHFFFAOYSA-N 0 3 377.555 -0.017 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869947 1072744721 /nfs/dbraw/zinc/74/47/21/1072744721.db2.gz ILGPROWOYIDNPL-GDBMZVCRSA-N 0 3 375.454 -0.136 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869950 1072744255 /nfs/dbraw/zinc/74/42/55/1072744255.db2.gz ILGPROWOYIDNPL-GOEBONIOSA-N 0 3 375.454 -0.136 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869952 1072744112 /nfs/dbraw/zinc/74/41/12/1072744112.db2.gz ILGPROWOYIDNPL-HOCLYGCPSA-N 0 3 375.454 -0.136 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869955 1072744103 /nfs/dbraw/zinc/74/41/03/1072744103.db2.gz ILGPROWOYIDNPL-ZBFHGGJFSA-N 0 3 375.454 -0.136 20 0 GBADHN CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)n1 ZINC000515870213 1072744637 /nfs/dbraw/zinc/74/46/37/1072744637.db2.gz MMSULDOVISCXTI-CABCVRRESA-N 0 3 376.461 -0.622 20 0 GBADHN CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)n1 ZINC000515870214 1072744510 /nfs/dbraw/zinc/74/45/10/1072744510.db2.gz MMSULDOVISCXTI-GJZGRUSLSA-N 0 3 376.461 -0.622 20 0 GBADHN CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)n1 ZINC000515870215 1072744082 /nfs/dbraw/zinc/74/40/82/1072744082.db2.gz MMSULDOVISCXTI-HUUCEWRRSA-N 0 3 376.461 -0.622 20 0 GBADHN CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)n1 ZINC000515870217 1072744655 /nfs/dbraw/zinc/74/46/55/1072744655.db2.gz MMSULDOVISCXTI-LSDHHAIUSA-N 0 3 376.461 -0.622 20 0 GBADHN COc1c2ccccc2oc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516091282 1072754642 /nfs/dbraw/zinc/75/46/42/1072754642.db2.gz IJEWVPRHQDXXQK-AAEUAGOBSA-N 0 3 386.408 -0.172 20 0 GBADHN COc1c2ccccc2oc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516091283 1072754524 /nfs/dbraw/zinc/75/45/24/1072754524.db2.gz IJEWVPRHQDXXQK-DGCLKSJQSA-N 0 3 386.408 -0.172 20 0 GBADHN COc1c2ccccc2oc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516091284 1072754612 /nfs/dbraw/zinc/75/46/12/1072754612.db2.gz IJEWVPRHQDXXQK-WCQYABFASA-N 0 3 386.408 -0.172 20 0 GBADHN COc1c2ccccc2oc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516091285 1072754567 /nfs/dbraw/zinc/75/45/67/1072754567.db2.gz IJEWVPRHQDXXQK-YPMHNXCESA-N 0 3 386.408 -0.172 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1 ZINC000516091818 1072754731 /nfs/dbraw/zinc/75/47/31/1072754731.db2.gz UQTYGYDFAJEEJY-DZGCQCFKSA-N 0 3 390.440 -0.867 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1 ZINC000516091819 1072754372 /nfs/dbraw/zinc/75/43/72/1072754372.db2.gz UQTYGYDFAJEEJY-HIFRSBDPSA-N 0 3 390.440 -0.867 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1 ZINC000516091820 1072754596 /nfs/dbraw/zinc/75/45/96/1072754596.db2.gz UQTYGYDFAJEEJY-UKRRQHHQSA-N 0 3 390.440 -0.867 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1 ZINC000516091821 1072754358 /nfs/dbraw/zinc/75/43/58/1072754358.db2.gz UQTYGYDFAJEEJY-ZFWWWQNUSA-N 0 3 390.440 -0.867 20 0 GBADHN Cn1ccnc(N2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1=O ZINC000516142418 1072757867 /nfs/dbraw/zinc/75/78/67/1072757867.db2.gz FWUVWACXKHMHDC-UHFFFAOYSA-N 0 3 391.520 -0.362 20 0 GBADHN CCOC1CC(CNC(=O)C(=O)N(C)CCN2CCCC2)(N2CCOCC2)C1 ZINC000516171425 1072759636 /nfs/dbraw/zinc/75/96/36/1072759636.db2.gz OTUKIKCLHMHNTE-UHFFFAOYSA-N 0 3 396.532 -0.073 20 0 GBADHN COc1cccc(CN(C)C(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1OC ZINC000516194503 1072760251 /nfs/dbraw/zinc/76/02/51/1072760251.db2.gz KVAMMNZRHZSKMJ-CABCVRRESA-N 0 3 376.457 -0.094 20 0 GBADHN COc1cccc(CN(C)C(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1OC ZINC000516194504 1072760821 /nfs/dbraw/zinc/76/08/21/1072760821.db2.gz KVAMMNZRHZSKMJ-GJZGRUSLSA-N 0 3 376.457 -0.094 20 0 GBADHN COc1cccc(CN(C)C(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1OC ZINC000516194505 1072760794 /nfs/dbraw/zinc/76/07/94/1072760794.db2.gz KVAMMNZRHZSKMJ-HUUCEWRRSA-N 0 3 376.457 -0.094 20 0 GBADHN COc1cccc(CN(C)C(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1OC ZINC000516194506 1072760850 /nfs/dbraw/zinc/76/08/50/1072760850.db2.gz KVAMMNZRHZSKMJ-LSDHHAIUSA-N 0 3 376.457 -0.094 20 0 GBADHN Cn1ncc2c1ncn(CC(=O)Nc1cnccc1N1CCN(C)CC1)c2=O ZINC000516207824 1072761738 /nfs/dbraw/zinc/76/17/38/1072761738.db2.gz PQYPWSLXZUZCHN-UHFFFAOYSA-N 0 3 382.428 -0.085 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)CC1=O ZINC000516266338 1072764620 /nfs/dbraw/zinc/76/46/20/1072764620.db2.gz HSSBRGAYOFYMAV-CYBMUJFWSA-N 0 3 376.417 -0.656 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)CC1=O ZINC000516266341 1072764988 /nfs/dbraw/zinc/76/49/88/1072764988.db2.gz HSSBRGAYOFYMAV-ZDUSSCGKSA-N 0 3 376.417 -0.656 20 0 GBADHN CN(CCN(C)S(=O)(=O)CCCN1CCOCC1)C1CCN(C)CC1 ZINC000516269291 530374332 /nfs/dbraw/zinc/37/43/32/530374332.db2.gz UMDSTBQXUCEIDG-UHFFFAOYSA-N 0 3 376.567 -0.004 20 0 GBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000516313728 1072766111 /nfs/dbraw/zinc/76/61/11/1072766111.db2.gz SDZIEPCOEHYFNS-GOSISDBHSA-N 0 3 395.481 -0.260 20 0 GBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000516313729 1072765974 /nfs/dbraw/zinc/76/59/74/1072765974.db2.gz SDZIEPCOEHYFNS-SFHVURJKSA-N 0 3 395.481 -0.260 20 0 GBADHN CN1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000516314795 1072765434 /nfs/dbraw/zinc/76/54/34/1072765434.db2.gz COGQLNGNQHCIBI-CVEARBPZSA-N 0 3 387.488 -0.713 20 0 GBADHN CN1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000516314797 1072766002 /nfs/dbraw/zinc/76/60/02/1072766002.db2.gz COGQLNGNQHCIBI-HOTGVXAUSA-N 0 3 387.488 -0.713 20 0 GBADHN CN1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000516314798 1072765543 /nfs/dbraw/zinc/76/55/43/1072765543.db2.gz COGQLNGNQHCIBI-HZPDHXFCSA-N 0 3 387.488 -0.713 20 0 GBADHN CN1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000516314799 1072765760 /nfs/dbraw/zinc/76/57/60/1072765760.db2.gz COGQLNGNQHCIBI-JKSUJKDBSA-N 0 3 387.488 -0.713 20 0 GBADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)n2C ZINC000516315409 1072766100 /nfs/dbraw/zinc/76/61/00/1072766100.db2.gz LOTURJSERBBMCV-CHWSQXEVSA-N 0 3 384.440 -0.732 20 0 GBADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)n2C ZINC000516315412 1072765655 /nfs/dbraw/zinc/76/56/55/1072765655.db2.gz LOTURJSERBBMCV-OLZOCXBDSA-N 0 3 384.440 -0.732 20 0 GBADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)n2C ZINC000516315414 1072765860 /nfs/dbraw/zinc/76/58/60/1072765860.db2.gz LOTURJSERBBMCV-QWHCGFSZSA-N 0 3 384.440 -0.732 20 0 GBADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)n2C ZINC000516315416 1072766049 /nfs/dbraw/zinc/76/60/49/1072766049.db2.gz LOTURJSERBBMCV-STQMWFEESA-N 0 3 384.440 -0.732 20 0 GBADHN C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000516315524 530443248 /nfs/dbraw/zinc/44/32/48/530443248.db2.gz NJLKBCOGBLUFGU-GFCCVEGCSA-N 0 3 379.508 -0.103 20 0 GBADHN C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000516315526 530443160 /nfs/dbraw/zinc/44/31/60/530443160.db2.gz NJLKBCOGBLUFGU-LBPRGKRZSA-N 0 3 379.508 -0.103 20 0 GBADHN COCCNS(=O)(=O)c1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000516454775 1072770460 /nfs/dbraw/zinc/77/04/60/1072770460.db2.gz WABGYYPKMWHPJY-INIZCTEOSA-N 0 3 387.502 -0.606 20 0 GBADHN COCCNS(=O)(=O)c1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000516454776 1072770301 /nfs/dbraw/zinc/77/03/01/1072770301.db2.gz WABGYYPKMWHPJY-MRXNPFEDSA-N 0 3 387.502 -0.606 20 0 GBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000516460352 1072770845 /nfs/dbraw/zinc/77/08/45/1072770845.db2.gz NCGVDUUEKXEEIZ-CYBMUJFWSA-N 0 3 398.485 -0.476 20 0 GBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](N)CCC(=O)OC)CC1 ZINC000516460353 1072771246 /nfs/dbraw/zinc/77/12/46/1072771246.db2.gz NCGVDUUEKXEEIZ-ZDUSSCGKSA-N 0 3 398.485 -0.476 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)nc1)CN1CCN(C)CC1 ZINC000516484421 1072772265 /nfs/dbraw/zinc/77/22/65/1072772265.db2.gz UGCJYJBSUKXNDO-HNNXBMFYSA-N 0 3 376.505 -0.237 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)nc1)CN1CCN(C)CC1 ZINC000516484422 1072771943 /nfs/dbraw/zinc/77/19/43/1072771943.db2.gz UGCJYJBSUKXNDO-OAHLLOKOSA-N 0 3 376.505 -0.237 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Oc1cccc(Cl)c1 ZINC000516492716 1072772314 /nfs/dbraw/zinc/77/23/14/1072772314.db2.gz SRDGFFDYFISSJY-KYOSRNDESA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Oc1cccc(Cl)c1 ZINC000516492717 1072772148 /nfs/dbraw/zinc/77/21/48/1072772148.db2.gz SRDGFFDYFISSJY-OSAQELSMSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Oc1cccc(Cl)c1 ZINC000516492718 1072772284 /nfs/dbraw/zinc/77/22/84/1072772284.db2.gz SRDGFFDYFISSJY-UXIGCNINSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Oc1cccc(Cl)c1 ZINC000516492719 1072771683 /nfs/dbraw/zinc/77/16/83/1072771683.db2.gz SRDGFFDYFISSJY-ZLDLUXBVSA-N 0 3 394.859 -0.006 20 0 GBADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 ZINC000516558297 530374286 /nfs/dbraw/zinc/37/42/86/530374286.db2.gz XGEKGNJQAUZKBE-KGLIPLIRSA-N 0 3 377.511 -0.723 20 0 GBADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 ZINC000516558298 530374452 /nfs/dbraw/zinc/37/44/52/530374452.db2.gz XGEKGNJQAUZKBE-ZIAGYGMSSA-N 0 3 377.511 -0.723 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCN1S(C)(=O)=O ZINC000516571432 1072781728 /nfs/dbraw/zinc/78/17/28/1072781728.db2.gz YHZJIVBVAGODEA-BBRMVZONSA-N 0 3 394.497 -0.437 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCN1S(C)(=O)=O ZINC000516571433 1072781712 /nfs/dbraw/zinc/78/17/12/1072781712.db2.gz YHZJIVBVAGODEA-XJKSGUPXSA-N 0 3 394.497 -0.437 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2C)CC1 ZINC000516573618 1072779765 /nfs/dbraw/zinc/77/97/65/1072779765.db2.gz AQENAXIYMYALNL-CVEARBPZSA-N 0 3 381.521 -0.545 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2C)CC1 ZINC000516573619 1072780206 /nfs/dbraw/zinc/78/02/06/1072780206.db2.gz AQENAXIYMYALNL-HOTGVXAUSA-N 0 3 381.521 -0.545 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2C)CC1 ZINC000516573620 1072779990 /nfs/dbraw/zinc/77/99/90/1072779990.db2.gz AQENAXIYMYALNL-HZPDHXFCSA-N 0 3 381.521 -0.545 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2C)CC1 ZINC000516573621 1072779671 /nfs/dbraw/zinc/77/96/71/1072779671.db2.gz AQENAXIYMYALNL-JKSUJKDBSA-N 0 3 381.521 -0.545 20 0 GBADHN CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000516585003 1072781802 /nfs/dbraw/zinc/78/18/02/1072781802.db2.gz IFYKVNRKZDDKGJ-CABCVRRESA-N 0 3 387.440 -0.010 20 0 GBADHN CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000516585004 1072782002 /nfs/dbraw/zinc/78/20/02/1072782002.db2.gz IFYKVNRKZDDKGJ-GJZGRUSLSA-N 0 3 387.440 -0.010 20 0 GBADHN CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000516585005 1072781456 /nfs/dbraw/zinc/78/14/56/1072781456.db2.gz IFYKVNRKZDDKGJ-HUUCEWRRSA-N 0 3 387.440 -0.010 20 0 GBADHN CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000516585006 1072781864 /nfs/dbraw/zinc/78/18/64/1072781864.db2.gz IFYKVNRKZDDKGJ-LSDHHAIUSA-N 0 3 387.440 -0.010 20 0 GBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000516585241 1072781891 /nfs/dbraw/zinc/78/18/91/1072781891.db2.gz MAJHDGIODCZYTC-SMDDNHRTSA-N 0 3 385.417 -0.526 20 0 GBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000516588840 1072783521 /nfs/dbraw/zinc/78/35/21/1072783521.db2.gz XEMDDURRYFINSH-INIZCTEOSA-N 0 3 376.505 -0.088 20 0 GBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000516588841 1072783632 /nfs/dbraw/zinc/78/36/32/1072783632.db2.gz XEMDDURRYFINSH-MRXNPFEDSA-N 0 3 376.505 -0.088 20 0 GBADHN CN1CCN(c2ccncc2NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000516625084 1072784417 /nfs/dbraw/zinc/78/44/17/1072784417.db2.gz XPDNIIABCOHLSR-UHFFFAOYSA-N 0 3 382.490 -0.313 20 0 GBADHN CCN(CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccco1 ZINC000516635208 1072788858 /nfs/dbraw/zinc/78/88/58/1072788858.db2.gz RZZRONZWZNWJSJ-AWEZNQCLSA-N 0 3 379.461 -0.673 20 0 GBADHN CCN(CC)[C@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccco1 ZINC000516635209 1072788730 /nfs/dbraw/zinc/78/87/30/1072788730.db2.gz RZZRONZWZNWJSJ-CQSZACIVSA-N 0 3 379.461 -0.673 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CCC(F)(F)F ZINC000516664255 1073094320 /nfs/dbraw/zinc/09/43/20/1073094320.db2.gz DBXWYNGXAZASDH-NEPJUHHUSA-N 0 3 393.410 -0.853 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CCC(F)(F)F ZINC000516664257 1073094477 /nfs/dbraw/zinc/09/44/77/1073094477.db2.gz DBXWYNGXAZASDH-NWDGAFQWSA-N 0 3 393.410 -0.853 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CCC(F)(F)F ZINC000516664259 1073094754 /nfs/dbraw/zinc/09/47/54/1073094754.db2.gz DBXWYNGXAZASDH-RYUDHWBXSA-N 0 3 393.410 -0.853 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)CCC(F)(F)F ZINC000516664260 1073094267 /nfs/dbraw/zinc/09/42/67/1073094267.db2.gz DBXWYNGXAZASDH-VXGBXAGGSA-N 0 3 393.410 -0.853 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC1=O ZINC000516678385 1072792261 /nfs/dbraw/zinc/79/22/61/1072792261.db2.gz ODWUJFSWINZHJB-AWEZNQCLSA-N 0 3 389.460 -0.350 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC1=O ZINC000516678386 1072792324 /nfs/dbraw/zinc/79/23/24/1072792324.db2.gz ODWUJFSWINZHJB-CQSZACIVSA-N 0 3 389.460 -0.350 20 0 GBADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@H]1C[NH2+]CCO1 ZINC000516760099 530139837 /nfs/dbraw/zinc/13/98/37/530139837.db2.gz VGXKKIHVHSDULB-MRVPVSSYSA-N 0 3 398.304 -0.107 20 0 GBADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@@H]1C[NH2+]CCO1 ZINC000516760100 530139741 /nfs/dbraw/zinc/13/97/41/530139741.db2.gz VGXKKIHVHSDULB-QMMMGPOBSA-N 0 3 398.304 -0.107 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3-n3cccn3)CCN2C1=O ZINC000516787583 1072805039 /nfs/dbraw/zinc/80/50/39/1072805039.db2.gz ZNHKDCYVQJNPSN-CABCVRRESA-N 0 3 382.424 -0.741 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3-n3cccn3)CCN2C1=O ZINC000516787584 1072805267 /nfs/dbraw/zinc/80/52/67/1072805267.db2.gz ZNHKDCYVQJNPSN-GJZGRUSLSA-N 0 3 382.424 -0.741 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3-n3cccn3)CCN2C1=O ZINC000516787585 1072804471 /nfs/dbraw/zinc/80/44/71/1072804471.db2.gz ZNHKDCYVQJNPSN-HUUCEWRRSA-N 0 3 382.424 -0.741 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3-n3cccn3)CCN2C1=O ZINC000516787586 1072804440 /nfs/dbraw/zinc/80/44/40/1072804440.db2.gz ZNHKDCYVQJNPSN-LSDHHAIUSA-N 0 3 382.424 -0.741 20 0 GBADHN CN1CCN(CCCCNC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000516841568 1072811237 /nfs/dbraw/zinc/81/12/37/1072811237.db2.gz IBTLCXKLSJCSAQ-UHFFFAOYSA-N 0 3 383.518 -0.106 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1)CN1CCN(C)CC1 ZINC000516857916 1072812459 /nfs/dbraw/zinc/81/24/59/1072812459.db2.gz PMVUBQREMJUYMM-HNNXBMFYSA-N 0 3 389.500 -0.556 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1)CN1CCN(C)CC1 ZINC000516857917 1072812191 /nfs/dbraw/zinc/81/21/91/1072812191.db2.gz PMVUBQREMJUYMM-OAHLLOKOSA-N 0 3 389.500 -0.556 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CNCCO1 ZINC000516862066 1072812910 /nfs/dbraw/zinc/81/29/10/1072812910.db2.gz GVFWLOPUVBWOEX-CYBMUJFWSA-N 0 3 399.469 -0.566 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CNCCO1 ZINC000516862067 1072813158 /nfs/dbraw/zinc/81/31/58/1072813158.db2.gz GVFWLOPUVBWOEX-ZDUSSCGKSA-N 0 3 399.469 -0.566 20 0 GBADHN CN1CCN(C(=O)Cn2c3ccccc3nc2CS(C)(=O)=O)[C@H](CN)C1 ZINC000516870098 1072813849 /nfs/dbraw/zinc/81/38/49/1072813849.db2.gz SCPVKNROSMGLDF-CYBMUJFWSA-N 0 3 379.486 -0.318 20 0 GBADHN CN1CCN(C(=O)Cn2c3ccccc3nc2CS(C)(=O)=O)[C@@H](CN)C1 ZINC000516870099 1072813801 /nfs/dbraw/zinc/81/38/01/1072813801.db2.gz SCPVKNROSMGLDF-ZDUSSCGKSA-N 0 3 379.486 -0.318 20 0 GBADHN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc21 ZINC000516878400 1072814809 /nfs/dbraw/zinc/81/48/09/1072814809.db2.gz JEUCOOAOTVTFOE-DZGCQCFKSA-N 0 3 378.454 -0.472 20 0 GBADHN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc21 ZINC000516878401 1072814754 /nfs/dbraw/zinc/81/47/54/1072814754.db2.gz JEUCOOAOTVTFOE-HIFRSBDPSA-N 0 3 378.454 -0.472 20 0 GBADHN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc21 ZINC000516878402 1072814998 /nfs/dbraw/zinc/81/49/98/1072814998.db2.gz JEUCOOAOTVTFOE-UKRRQHHQSA-N 0 3 378.454 -0.472 20 0 GBADHN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc21 ZINC000516878403 1072814612 /nfs/dbraw/zinc/81/46/12/1072814612.db2.gz JEUCOOAOTVTFOE-ZFWWWQNUSA-N 0 3 378.454 -0.472 20 0 GBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ncccc12 ZINC000516878582 1072814883 /nfs/dbraw/zinc/81/48/83/1072814883.db2.gz PNPDPJOGSXHCMY-AAEUAGOBSA-N 0 3 383.408 -0.048 20 0 GBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ncccc12 ZINC000516878583 1072814858 /nfs/dbraw/zinc/81/48/58/1072814858.db2.gz PNPDPJOGSXHCMY-DGCLKSJQSA-N 0 3 383.408 -0.048 20 0 GBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ncccc12 ZINC000516878584 1072814515 /nfs/dbraw/zinc/81/45/15/1072814515.db2.gz PNPDPJOGSXHCMY-WCQYABFASA-N 0 3 383.408 -0.048 20 0 GBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ncccc12 ZINC000516878585 1072814983 /nfs/dbraw/zinc/81/49/83/1072814983.db2.gz PNPDPJOGSXHCMY-YPMHNXCESA-N 0 3 383.408 -0.048 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879209 1072815692 /nfs/dbraw/zinc/81/56/92/1072815692.db2.gz QXLWYNZHYSNPCN-IAOVAPTHSA-N 0 3 396.451 -0.180 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879210 1072815538 /nfs/dbraw/zinc/81/55/38/1072815538.db2.gz QXLWYNZHYSNPCN-JQFCIGGWSA-N 0 3 396.451 -0.180 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879211 1072815739 /nfs/dbraw/zinc/81/57/39/1072815739.db2.gz QXLWYNZHYSNPCN-RRQGHBQHSA-N 0 3 396.451 -0.180 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879212 1072815656 /nfs/dbraw/zinc/81/56/56/1072815656.db2.gz QXLWYNZHYSNPCN-XKQJLSEDSA-N 0 3 396.451 -0.180 20 0 GBADHN CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000516879272 1072814588 /nfs/dbraw/zinc/81/45/88/1072814588.db2.gz UHZCFGSCJLOKGA-GHMZBOCLSA-N 0 3 381.458 -0.184 20 0 GBADHN CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000516879273 1072815077 /nfs/dbraw/zinc/81/50/77/1072815077.db2.gz UHZCFGSCJLOKGA-MNOVXSKESA-N 0 3 381.458 -0.184 20 0 GBADHN CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000516879274 1072815801 /nfs/dbraw/zinc/81/58/01/1072815801.db2.gz UHZCFGSCJLOKGA-QWRGUYRKSA-N 0 3 381.458 -0.184 20 0 GBADHN CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000516879275 1072815598 /nfs/dbraw/zinc/81/55/98/1072815598.db2.gz UHZCFGSCJLOKGA-WDEREUQCSA-N 0 3 381.458 -0.184 20 0 GBADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCCO1 ZINC000516892557 1072816519 /nfs/dbraw/zinc/81/65/19/1072816519.db2.gz QXCDPPQZWUOTRY-ARFHVFGLSA-N 0 3 380.489 -0.175 20 0 GBADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CCCO1 ZINC000516892558 1072816736 /nfs/dbraw/zinc/81/67/36/1072816736.db2.gz QXCDPPQZWUOTRY-HRCADAONSA-N 0 3 380.489 -0.175 20 0 GBADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCCO1 ZINC000516892559 1072816556 /nfs/dbraw/zinc/81/65/56/1072816556.db2.gz QXCDPPQZWUOTRY-JYJNAYRXSA-N 0 3 380.489 -0.175 20 0 GBADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCCO1 ZINC000516892560 1072816949 /nfs/dbraw/zinc/81/69/49/1072816949.db2.gz QXCDPPQZWUOTRY-XHSDSOJGSA-N 0 3 380.489 -0.175 20 0 GBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C2)CC1 ZINC000516912847 1072817786 /nfs/dbraw/zinc/81/77/86/1072817786.db2.gz JIDKCFKNTZPLBV-MSOLQXFVSA-N 0 3 377.533 -0.079 20 0 GBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C2)CC1 ZINC000516912848 1072818063 /nfs/dbraw/zinc/81/80/63/1072818063.db2.gz JIDKCFKNTZPLBV-QZTJIDSGSA-N 0 3 377.533 -0.079 20 0 GBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C2)CC1 ZINC000516912849 1072817678 /nfs/dbraw/zinc/81/76/78/1072817678.db2.gz JIDKCFKNTZPLBV-ROUUACIJSA-N 0 3 377.533 -0.079 20 0 GBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C2)CC1 ZINC000516912850 1072817660 /nfs/dbraw/zinc/81/76/60/1072817660.db2.gz JIDKCFKNTZPLBV-ZWKOTPCHSA-N 0 3 377.533 -0.079 20 0 GBADHN COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000516937908 1072819491 /nfs/dbraw/zinc/81/94/91/1072819491.db2.gz GPSWXMSAMKJJBS-GXTWGEPZSA-N 0 3 391.453 -0.187 20 0 GBADHN COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000516937910 1072819458 /nfs/dbraw/zinc/81/94/58/1072819458.db2.gz GPSWXMSAMKJJBS-JSGCOSHPSA-N 0 3 391.453 -0.187 20 0 GBADHN COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000516937911 1072820051 /nfs/dbraw/zinc/82/00/51/1072820051.db2.gz GPSWXMSAMKJJBS-OCCSQVGLSA-N 0 3 391.453 -0.187 20 0 GBADHN COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000516937912 1072819883 /nfs/dbraw/zinc/81/98/83/1072819883.db2.gz GPSWXMSAMKJJBS-TZMCWYRMSA-N 0 3 391.453 -0.187 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](N3CCOCC3)CC2)n1 ZINC000516937954 1072820015 /nfs/dbraw/zinc/82/00/15/1072820015.db2.gz QLYJKCUJQNAFIV-HNNXBMFYSA-N 0 3 379.509 -0.369 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](N3CCOCC3)CC2)n1 ZINC000516937955 1072819532 /nfs/dbraw/zinc/81/95/32/1072819532.db2.gz QLYJKCUJQNAFIV-OAHLLOKOSA-N 0 3 379.509 -0.369 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CSc4ccccc4O3)CCN2C1=O ZINC000516939144 1072819688 /nfs/dbraw/zinc/81/96/88/1072819688.db2.gz NWJFTIVSYBYOOO-FRRDWIJNSA-N 0 3 390.465 -0.574 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CSc4ccccc4O3)CCN2C1=O ZINC000516939145 1072820037 /nfs/dbraw/zinc/82/00/37/1072820037.db2.gz NWJFTIVSYBYOOO-JHJVBQTASA-N 0 3 390.465 -0.574 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CSc4ccccc4O3)CCN2C1=O ZINC000516939146 1072820048 /nfs/dbraw/zinc/82/00/48/1072820048.db2.gz NWJFTIVSYBYOOO-RWMBFGLXSA-N 0 3 390.465 -0.574 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CSc4ccccc4O3)CCN2C1=O ZINC000516939147 1072819939 /nfs/dbraw/zinc/81/99/39/1072819939.db2.gz NWJFTIVSYBYOOO-YNEHKIRRSA-N 0 3 390.465 -0.574 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000516971084 1072821398 /nfs/dbraw/zinc/82/13/98/1072821398.db2.gz LUUSOGIPOXZLRA-GDBMZVCRSA-N 0 3 394.497 -0.389 20 0 GBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000516971085 1072821844 /nfs/dbraw/zinc/82/18/44/1072821844.db2.gz LUUSOGIPOXZLRA-GOEBONIOSA-N 0 3 394.497 -0.389 20 0 GBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000516971086 1072821479 /nfs/dbraw/zinc/82/14/79/1072821479.db2.gz LUUSOGIPOXZLRA-HOCLYGCPSA-N 0 3 394.497 -0.389 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000516971087 1072821463 /nfs/dbraw/zinc/82/14/63/1072821463.db2.gz LUUSOGIPOXZLRA-ZBFHGGJFSA-N 0 3 394.497 -0.389 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000516973779 530460936 /nfs/dbraw/zinc/46/09/36/530460936.db2.gz YNQABDCEWHVZDL-GFCCVEGCSA-N 0 3 376.504 -0.800 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000516973781 530461092 /nfs/dbraw/zinc/46/10/92/530461092.db2.gz YNQABDCEWHVZDL-LBPRGKRZSA-N 0 3 376.504 -0.800 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1-n1cccn1 ZINC000516980724 1072822222 /nfs/dbraw/zinc/82/22/22/1072822222.db2.gz BJGHFOPKIJYSEU-DZKIICNBSA-N 0 3 396.451 -0.180 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000516980725 1072822826 /nfs/dbraw/zinc/82/28/26/1072822826.db2.gz BJGHFOPKIJYSEU-LZWOXQAQSA-N 0 3 396.451 -0.180 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1-n1cccn1 ZINC000516980727 1072822956 /nfs/dbraw/zinc/82/29/56/1072822956.db2.gz BJGHFOPKIJYSEU-OFQRWUPVSA-N 0 3 396.451 -0.180 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000516980728 1072822902 /nfs/dbraw/zinc/82/29/02/1072822902.db2.gz BJGHFOPKIJYSEU-SQWLQELKSA-N 0 3 396.451 -0.180 20 0 GBADHN CC(C)c1noc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000516981985 1072824470 /nfs/dbraw/zinc/82/44/70/1072824470.db2.gz QTPPOGNLJRIOCD-NEPJUHHUSA-N 0 3 378.433 -0.988 20 0 GBADHN CC(C)c1noc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000516981986 1072824392 /nfs/dbraw/zinc/82/43/92/1072824392.db2.gz QTPPOGNLJRIOCD-NWDGAFQWSA-N 0 3 378.433 -0.988 20 0 GBADHN CC(C)c1noc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000516981987 1072825102 /nfs/dbraw/zinc/82/51/02/1072825102.db2.gz QTPPOGNLJRIOCD-RYUDHWBXSA-N 0 3 378.433 -0.988 20 0 GBADHN CC(C)c1noc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000516981988 1072824877 /nfs/dbraw/zinc/82/48/77/1072824877.db2.gz QTPPOGNLJRIOCD-VXGBXAGGSA-N 0 3 378.433 -0.988 20 0 GBADHN COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000516987218 1072823391 /nfs/dbraw/zinc/82/33/91/1072823391.db2.gz KJPHJGXBMOUTMH-AUUYWEPGSA-N 0 3 396.488 -0.543 20 0 GBADHN COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000516987219 1072823776 /nfs/dbraw/zinc/82/37/76/1072823776.db2.gz KJPHJGXBMOUTMH-IFXJQAMLSA-N 0 3 396.488 -0.543 20 0 GBADHN COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000516987220 1072823945 /nfs/dbraw/zinc/82/39/45/1072823945.db2.gz KJPHJGXBMOUTMH-KUHUBIRLSA-N 0 3 396.488 -0.543 20 0 GBADHN COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000516987221 1072823654 /nfs/dbraw/zinc/82/36/54/1072823654.db2.gz KJPHJGXBMOUTMH-LIRRHRJNSA-N 0 3 396.488 -0.543 20 0 GBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000516987648 1072823452 /nfs/dbraw/zinc/82/34/52/1072823452.db2.gz FUVXLFYKNGZHOP-UHFFFAOYSA-N 0 3 396.513 -0.079 20 0 GBADHN C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C(=O)NCCN(C)C ZINC000516993257 530372782 /nfs/dbraw/zinc/37/27/82/530372782.db2.gz ZWLITOJITIMJFQ-GHMZBOCLSA-N 0 3 376.504 -0.403 20 0 GBADHN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)C(=O)NCCN(C)C ZINC000516993258 530372918 /nfs/dbraw/zinc/37/29/18/530372918.db2.gz ZWLITOJITIMJFQ-MNOVXSKESA-N 0 3 376.504 -0.403 20 0 GBADHN C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)C(=O)NCCN(C)C ZINC000516993259 530372828 /nfs/dbraw/zinc/37/28/28/530372828.db2.gz ZWLITOJITIMJFQ-QWRGUYRKSA-N 0 3 376.504 -0.403 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000516993260 530372908 /nfs/dbraw/zinc/37/29/08/530372908.db2.gz ZWLITOJITIMJFQ-WDEREUQCSA-N 0 3 376.504 -0.403 20 0 GBADHN O=C(C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCN(CC2CC2)CC1 ZINC000517024291 1072825886 /nfs/dbraw/zinc/82/58/86/1072825886.db2.gz OHEPSWBNRFPKLQ-KRWDZBQOSA-N 0 3 391.516 -0.789 20 0 GBADHN O=C(C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCN(CC2CC2)CC1 ZINC000517024292 1072825612 /nfs/dbraw/zinc/82/56/12/1072825612.db2.gz OHEPSWBNRFPKLQ-QGZVFWFLSA-N 0 3 391.516 -0.789 20 0 GBADHN O=C([C@@H]1CNCc2ccccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000517028872 1072826585 /nfs/dbraw/zinc/82/65/85/1072826585.db2.gz SOLBHKARWLBHPQ-BRWVUGGUSA-N 0 3 379.482 -0.825 20 0 GBADHN O=C([C@@H]1CNCc2ccccc21)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000517028873 1072826558 /nfs/dbraw/zinc/82/65/58/1072826558.db2.gz SOLBHKARWLBHPQ-IKGGRYGDSA-N 0 3 379.482 -0.825 20 0 GBADHN O=C([C@@H]1CNCc2ccccc21)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000517028874 1072826688 /nfs/dbraw/zinc/82/66/88/1072826688.db2.gz SOLBHKARWLBHPQ-IXDOHACOSA-N 0 3 379.482 -0.825 20 0 GBADHN O=C([C@@H]1CNCc2ccccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000517028875 1072826712 /nfs/dbraw/zinc/82/67/12/1072826712.db2.gz SOLBHKARWLBHPQ-ZACQAIPSSA-N 0 3 379.482 -0.825 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041629 1072827662 /nfs/dbraw/zinc/82/76/62/1072827662.db2.gz CSQFVGVZRXYIHS-CVEARBPZSA-N 0 3 386.452 -0.138 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041630 1072827503 /nfs/dbraw/zinc/82/75/03/1072827503.db2.gz CSQFVGVZRXYIHS-HOTGVXAUSA-N 0 3 386.452 -0.138 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041632 1072827713 /nfs/dbraw/zinc/82/77/13/1072827713.db2.gz CSQFVGVZRXYIHS-HZPDHXFCSA-N 0 3 386.452 -0.138 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041634 1072827769 /nfs/dbraw/zinc/82/77/69/1072827769.db2.gz CSQFVGVZRXYIHS-JKSUJKDBSA-N 0 3 386.452 -0.138 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Oc1ccccc1Cl ZINC000517042386 1072828337 /nfs/dbraw/zinc/82/83/37/1072828337.db2.gz SVUSVFOTVIRJCS-BZPMIXESSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Oc1ccccc1Cl ZINC000517042387 1072828552 /nfs/dbraw/zinc/82/85/52/1072828552.db2.gz SVUSVFOTVIRJCS-DYEKYZERSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Oc1ccccc1Cl ZINC000517042388 1072828235 /nfs/dbraw/zinc/82/82/35/1072828235.db2.gz SVUSVFOTVIRJCS-MBNYWOFBSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Oc1ccccc1Cl ZINC000517042389 1072828692 /nfs/dbraw/zinc/82/86/92/1072828692.db2.gz SVUSVFOTVIRJCS-YRGRVCCFSA-N 0 3 394.859 -0.006 20 0 GBADHN CSc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000517042496 1072828464 /nfs/dbraw/zinc/82/84/64/1072828464.db2.gz WVPANKIPFQLXNW-OLZOCXBDSA-N 0 3 380.445 -0.066 20 0 GBADHN CSc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000517042497 1072828188 /nfs/dbraw/zinc/82/81/88/1072828188.db2.gz WVPANKIPFQLXNW-QWHCGFSZSA-N 0 3 380.445 -0.066 20 0 GBADHN CSc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000517042498 1072828306 /nfs/dbraw/zinc/82/83/06/1072828306.db2.gz WVPANKIPFQLXNW-STQMWFEESA-N 0 3 380.445 -0.066 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OC)C2(C)C)CC1 ZINC000517056092 1072827337 /nfs/dbraw/zinc/82/73/37/1072827337.db2.gz YPISCQYNLCSYDZ-CABCVRRESA-N 0 3 382.505 -0.071 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](OC)C2(C)C)CC1 ZINC000517056094 1072827832 /nfs/dbraw/zinc/82/78/32/1072827832.db2.gz YPISCQYNLCSYDZ-GJZGRUSLSA-N 0 3 382.505 -0.071 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000517056095 1072827637 /nfs/dbraw/zinc/82/76/37/1072827637.db2.gz YPISCQYNLCSYDZ-HUUCEWRRSA-N 0 3 382.505 -0.071 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000517056096 1072827615 /nfs/dbraw/zinc/82/76/15/1072827615.db2.gz YPISCQYNLCSYDZ-LSDHHAIUSA-N 0 3 382.505 -0.071 20 0 GBADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000517058090 1072830295 /nfs/dbraw/zinc/83/02/95/1072830295.db2.gz ZWNYIDYHEFMYPN-QLFBSQMISA-N 0 3 388.534 -0.094 20 0 GBADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000517058091 1072830245 /nfs/dbraw/zinc/83/02/45/1072830245.db2.gz ZWNYIDYHEFMYPN-RBSFLKMASA-N 0 3 388.534 -0.094 20 0 GBADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000517058092 1072830334 /nfs/dbraw/zinc/83/03/34/1072830334.db2.gz ZWNYIDYHEFMYPN-SOUVJXGZSA-N 0 3 388.534 -0.094 20 0 GBADHN COCCN(CCN(C)C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000517093116 1072833005 /nfs/dbraw/zinc/83/30/05/1072833005.db2.gz VYKUGMWYFBSCQY-UHFFFAOYSA-N 0 3 376.465 -0.228 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000517157523 1072841334 /nfs/dbraw/zinc/84/13/34/1072841334.db2.gz XWWSSMQKBLVSNJ-UHFFFAOYSA-N 0 3 375.473 -0.033 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)c2nc(N)nc(N3CCOCC3)n2)C[C@@H](C)O1 ZINC000517157566 1072841208 /nfs/dbraw/zinc/84/12/08/1072841208.db2.gz MTVZQRBZPLXRIJ-ZIAGYGMSSA-N 0 3 393.492 -0.090 20 0 GBADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000517175589 1072841351 /nfs/dbraw/zinc/84/13/51/1072841351.db2.gz HHBZMORGZZDXQN-DZGCQCFKSA-N 0 3 380.470 -0.702 20 0 GBADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000517175592 1072841263 /nfs/dbraw/zinc/84/12/63/1072841263.db2.gz HHBZMORGZZDXQN-HIFRSBDPSA-N 0 3 380.470 -0.702 20 0 GBADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000517175593 1072841300 /nfs/dbraw/zinc/84/13/00/1072841300.db2.gz HHBZMORGZZDXQN-UKRRQHHQSA-N 0 3 380.470 -0.702 20 0 GBADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000517175595 1072841408 /nfs/dbraw/zinc/84/14/08/1072841408.db2.gz HHBZMORGZZDXQN-ZFWWWQNUSA-N 0 3 380.470 -0.702 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176729 1072841283 /nfs/dbraw/zinc/84/12/83/1072841283.db2.gz QTABBPGFOVVDIS-GDBMZVCRSA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176730 1072841465 /nfs/dbraw/zinc/84/14/65/1072841465.db2.gz QTABBPGFOVVDIS-GOEBONIOSA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176731 1072841317 /nfs/dbraw/zinc/84/13/17/1072841317.db2.gz QTABBPGFOVVDIS-HOCLYGCPSA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176732 1072842555 /nfs/dbraw/zinc/84/25/55/1072842555.db2.gz QTABBPGFOVVDIS-ZBFHGGJFSA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCc3nnc4n3CCCCC4)CCN2C1=O ZINC000517177517 1072842434 /nfs/dbraw/zinc/84/24/34/1072842434.db2.gz UOYGMQQXGYOVFP-KBPBESRZSA-N 0 3 375.477 -0.110 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCc3nnc4n3CCCCC4)CCN2C1=O ZINC000517177518 1072842394 /nfs/dbraw/zinc/84/23/94/1072842394.db2.gz UOYGMQQXGYOVFP-KGLIPLIRSA-N 0 3 375.477 -0.110 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCc3nnc4n3CCCCC4)CCN2C1=O ZINC000517177519 1072842344 /nfs/dbraw/zinc/84/23/44/1072842344.db2.gz UOYGMQQXGYOVFP-UONOGXRCSA-N 0 3 375.477 -0.110 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCc3nnc4n3CCCCC4)CCN2C1=O ZINC000517177520 1072842186 /nfs/dbraw/zinc/84/21/86/1072842186.db2.gz UOYGMQQXGYOVFP-ZIAGYGMSSA-N 0 3 375.477 -0.110 20 0 GBADHN COCCCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000517177641 1072842286 /nfs/dbraw/zinc/84/22/86/1072842286.db2.gz ZIVRQGTXFKCUIX-GDBMZVCRSA-N 0 3 390.440 -0.189 20 0 GBADHN COCCCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000517177642 1072842469 /nfs/dbraw/zinc/84/24/69/1072842469.db2.gz ZIVRQGTXFKCUIX-GOEBONIOSA-N 0 3 390.440 -0.189 20 0 GBADHN COCCCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000517177643 1072842322 /nfs/dbraw/zinc/84/23/22/1072842322.db2.gz ZIVRQGTXFKCUIX-HOCLYGCPSA-N 0 3 390.440 -0.189 20 0 GBADHN COCCCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000517177644 1072842492 /nfs/dbraw/zinc/84/24/92/1072842492.db2.gz ZIVRQGTXFKCUIX-ZBFHGGJFSA-N 0 3 390.440 -0.189 20 0 GBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000517192708 1072845403 /nfs/dbraw/zinc/84/54/03/1072845403.db2.gz UBFBXOWZKWFACB-IAGOWNOFSA-N 0 3 382.505 -0.606 20 0 GBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000517192709 1072845464 /nfs/dbraw/zinc/84/54/64/1072845464.db2.gz UBFBXOWZKWFACB-SJORKVTESA-N 0 3 382.505 -0.606 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000517252916 1072854828 /nfs/dbraw/zinc/85/48/28/1072854828.db2.gz YZYAHALMJFQWMR-KRWDZBQOSA-N 0 3 393.532 -0.401 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000517252917 1072855088 /nfs/dbraw/zinc/85/50/88/1072855088.db2.gz YZYAHALMJFQWMR-QGZVFWFLSA-N 0 3 393.532 -0.401 20 0 GBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)ccc2oc1=O ZINC000517277127 1072856258 /nfs/dbraw/zinc/85/62/58/1072856258.db2.gz ADDPUZVMVXSZFM-LLVKDONJSA-N 0 3 389.412 -0.572 20 0 GBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)ccc2oc1=O ZINC000517277133 1072855928 /nfs/dbraw/zinc/85/59/28/1072855928.db2.gz ADDPUZVMVXSZFM-NSHDSACASA-N 0 3 389.412 -0.572 20 0 GBADHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517368266 530461435 /nfs/dbraw/zinc/46/14/35/530461435.db2.gz RXOSQLJWOBNCLI-GJZGRUSLSA-N 0 3 376.523 -0.174 20 0 GBADHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517368267 530461354 /nfs/dbraw/zinc/46/13/54/530461354.db2.gz RXOSQLJWOBNCLI-HUUCEWRRSA-N 0 3 376.523 -0.174 20 0 GBADHN CN(C)S(=O)(=O)N(C)CC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000517382256 1072861149 /nfs/dbraw/zinc/86/11/49/1072861149.db2.gz UEFAEDWHBVMQNE-UHFFFAOYSA-N 0 3 398.529 -0.132 20 0 GBADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C[C@@H]1O ZINC000517391396 1072862519 /nfs/dbraw/zinc/86/25/19/1072862519.db2.gz KNWGGSHPOHQKGO-ILXRZTDVSA-N 0 3 375.425 -0.056 20 0 GBADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C[C@@H]1O ZINC000517391401 1072862492 /nfs/dbraw/zinc/86/24/92/1072862492.db2.gz KNWGGSHPOHQKGO-KKUMJFAQSA-N 0 3 375.425 -0.056 20 0 GBADHN CC1CCN(CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000517407475 1072863626 /nfs/dbraw/zinc/86/36/26/1072863626.db2.gz GQHKFOKPHWBLIV-UHFFFAOYSA-N 0 3 393.488 -0.279 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000517408199 1072863781 /nfs/dbraw/zinc/86/37/81/1072863781.db2.gz HHHHONTXDIDSIG-CABCVRRESA-N 0 3 388.534 -0.094 20 0 GBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000517408200 1072864094 /nfs/dbraw/zinc/86/40/94/1072864094.db2.gz HHHHONTXDIDSIG-GJZGRUSLSA-N 0 3 388.534 -0.094 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000517408201 1072864147 /nfs/dbraw/zinc/86/41/47/1072864147.db2.gz HHHHONTXDIDSIG-HUUCEWRRSA-N 0 3 388.534 -0.094 20 0 GBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000517408202 1072863374 /nfs/dbraw/zinc/86/33/74/1072863374.db2.gz HHHHONTXDIDSIG-LSDHHAIUSA-N 0 3 388.534 -0.094 20 0 GBADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517527004 1072867989 /nfs/dbraw/zinc/86/79/89/1072867989.db2.gz RBMDTZQQCUBUAN-CVEARBPZSA-N 0 3 379.505 -0.661 20 0 GBADHN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517527007 1072867635 /nfs/dbraw/zinc/86/76/35/1072867635.db2.gz RBMDTZQQCUBUAN-HOTGVXAUSA-N 0 3 379.505 -0.661 20 0 GBADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517527008 1072867935 /nfs/dbraw/zinc/86/79/35/1072867935.db2.gz RBMDTZQQCUBUAN-HZPDHXFCSA-N 0 3 379.505 -0.661 20 0 GBADHN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517527010 1072867678 /nfs/dbraw/zinc/86/76/78/1072867678.db2.gz RBMDTZQQCUBUAN-JKSUJKDBSA-N 0 3 379.505 -0.661 20 0 GBADHN O=C(CNC(=O)N1CCN(CCCOCC(F)(F)F)CC1)N1CCNCC1 ZINC000517539679 1072868102 /nfs/dbraw/zinc/86/81/02/1072868102.db2.gz UMCJTAYBKCDUCA-UHFFFAOYSA-N 0 3 395.426 -0.286 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000517540464 1072867578 /nfs/dbraw/zinc/86/75/78/1072867578.db2.gz WZLPSJNIZWHDSC-AWEZNQCLSA-N 0 3 380.470 -0.239 20 0 GBADHN O=C(NC[C@H]1CNCCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000517540465 1072867946 /nfs/dbraw/zinc/86/79/46/1072867946.db2.gz WZLPSJNIZWHDSC-CQSZACIVSA-N 0 3 380.470 -0.239 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CC1 ZINC000517567398 1072871219 /nfs/dbraw/zinc/87/12/19/1072871219.db2.gz LPNTYEWLTJPHMS-DLBZAZTESA-N 0 3 392.500 -0.221 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CC1 ZINC000517567400 1072871885 /nfs/dbraw/zinc/87/18/85/1072871885.db2.gz LPNTYEWLTJPHMS-IAGOWNOFSA-N 0 3 392.500 -0.221 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)CC1 ZINC000517567403 1072871380 /nfs/dbraw/zinc/87/13/80/1072871380.db2.gz LPNTYEWLTJPHMS-IRXDYDNUSA-N 0 3 392.500 -0.221 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)CC1 ZINC000517567404 1072871432 /nfs/dbraw/zinc/87/14/32/1072871432.db2.gz LPNTYEWLTJPHMS-SJORKVTESA-N 0 3 392.500 -0.221 20 0 GBADHN COc1c(F)cc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1S(N)(=O)=O ZINC000517584221 530461981 /nfs/dbraw/zinc/46/19/81/530461981.db2.gz LMELAOYQGLCAAT-RYUDHWBXSA-N 0 3 375.422 -0.843 20 0 GBADHN COc1cccc([C@@H]2C[C@H]2CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000517587771 1072872536 /nfs/dbraw/zinc/87/25/36/1072872536.db2.gz 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/nfs/dbraw/zinc/89/92/72/1072899272.db2.gz KTAQNHRVTOPKNV-UHFFFAOYSA-N 0 3 386.474 -0.430 20 0 GBADHN CCN1CCN(CCCNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000518022418 1072904204 /nfs/dbraw/zinc/90/42/04/1072904204.db2.gz KXDQCFQMADLIDW-UHFFFAOYSA-N 0 3 390.488 -0.667 20 0 GBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000518027731 1072905382 /nfs/dbraw/zinc/90/53/82/1072905382.db2.gz KKSLBNXTRXFUIJ-GUTXKFCHSA-N 0 3 386.518 -0.196 20 0 GBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000518027736 1072904743 /nfs/dbraw/zinc/90/47/43/1072904743.db2.gz KKSLBNXTRXFUIJ-GZBFAFLISA-N 0 3 386.518 -0.196 20 0 GBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000518027737 1072904823 /nfs/dbraw/zinc/90/48/23/1072904823.db2.gz KKSLBNXTRXFUIJ-NFAWXSAZSA-N 0 3 386.518 -0.196 20 0 GBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000518027738 1072905177 /nfs/dbraw/zinc/90/51/77/1072905177.db2.gz KKSLBNXTRXFUIJ-UMVBOHGHSA-N 0 3 386.518 -0.196 20 0 GBADHN CC(C)(C)CN(CCCO)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000518058700 1072906769 /nfs/dbraw/zinc/90/67/69/1072906769.db2.gz KOIWODNYYKJIFU-UHFFFAOYSA-N 0 3 398.548 -0.280 20 0 GBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)o1 ZINC000518087216 1072908766 /nfs/dbraw/zinc/90/87/66/1072908766.db2.gz QJJWGTKXTSLBMF-UHFFFAOYSA-N 0 3 385.442 -0.005 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H](c3cccc(F)c3)N3CCOCC3)CCN2C1=O ZINC000518218214 1072919345 /nfs/dbraw/zinc/91/93/45/1072919345.db2.gz CIUZNVFVBNRFLO-BBWFWOEESA-N 0 3 376.432 -0.031 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)CCN2C1=O ZINC000518218215 1072919283 /nfs/dbraw/zinc/91/92/83/1072919283.db2.gz CIUZNVFVBNRFLO-BRWVUGGUSA-N 0 3 376.432 -0.031 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)CCN2C1=O ZINC000518218216 1072919185 /nfs/dbraw/zinc/91/91/85/1072919185.db2.gz CIUZNVFVBNRFLO-GVDBMIGSSA-N 0 3 376.432 -0.031 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H](c3cccc(F)c3)N3CCOCC3)CCN2C1=O ZINC000518218217 1072919445 /nfs/dbraw/zinc/91/94/45/1072919445.db2.gz CIUZNVFVBNRFLO-ZACQAIPSSA-N 0 3 376.432 -0.031 20 0 GBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1 ZINC000518218227 1072919660 /nfs/dbraw/zinc/91/96/60/1072919660.db2.gz CVIOKEAPBPFQNF-NEPJUHHUSA-N 0 3 390.396 -0.809 20 0 GBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1 ZINC000518218228 1072919371 /nfs/dbraw/zinc/91/93/71/1072919371.db2.gz CVIOKEAPBPFQNF-NWDGAFQWSA-N 0 3 390.396 -0.809 20 0 GBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1 ZINC000518218229 1072919312 /nfs/dbraw/zinc/91/93/12/1072919312.db2.gz CVIOKEAPBPFQNF-RYUDHWBXSA-N 0 3 390.396 -0.809 20 0 GBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1 ZINC000518218230 1072919165 /nfs/dbraw/zinc/91/91/65/1072919165.db2.gz CVIOKEAPBPFQNF-VXGBXAGGSA-N 0 3 390.396 -0.809 20 0 GBADHN COc1cc(CNC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000518218247 1072919598 /nfs/dbraw/zinc/91/95/98/1072919598.db2.gz DEVNRDLFPYVXBB-KBPBESRZSA-N 0 3 392.456 -0.428 20 0 GBADHN COc1cc(CNC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(OC)c1OC ZINC000518218248 1072919231 /nfs/dbraw/zinc/91/92/31/1072919231.db2.gz DEVNRDLFPYVXBB-KGLIPLIRSA-N 0 3 392.456 -0.428 20 0 GBADHN COc1cc(CNC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000518218249 1072919476 /nfs/dbraw/zinc/91/94/76/1072919476.db2.gz DEVNRDLFPYVXBB-UONOGXRCSA-N 0 3 392.456 -0.428 20 0 GBADHN COc1cc(CNC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(OC)c1OC ZINC000518218250 1072919321 /nfs/dbraw/zinc/91/93/21/1072919321.db2.gz DEVNRDLFPYVXBB-ZIAGYGMSSA-N 0 3 392.456 -0.428 20 0 GBADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000518218439 1072919546 /nfs/dbraw/zinc/91/95/46/1072919546.db2.gz KGZKSOISRGKFAD-KBPBESRZSA-N 0 3 388.428 -0.463 20 0 GBADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000518218440 1072919578 /nfs/dbraw/zinc/91/95/78/1072919578.db2.gz KGZKSOISRGKFAD-KGLIPLIRSA-N 0 3 388.428 -0.463 20 0 GBADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000518218441 1072919362 /nfs/dbraw/zinc/91/93/62/1072919362.db2.gz KGZKSOISRGKFAD-UONOGXRCSA-N 0 3 388.428 -0.463 20 0 GBADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000518218442 1072919146 /nfs/dbraw/zinc/91/91/46/1072919146.db2.gz KGZKSOISRGKFAD-ZIAGYGMSSA-N 0 3 388.428 -0.463 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518218625 530095831 /nfs/dbraw/zinc/09/58/31/530095831.db2.gz OVWSVWINGOSQAI-AAEUAGOBSA-N 0 3 387.483 -0.669 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518218626 530095648 /nfs/dbraw/zinc/09/56/48/530095648.db2.gz OVWSVWINGOSQAI-DGCLKSJQSA-N 0 3 387.483 -0.669 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518218627 530095885 /nfs/dbraw/zinc/09/58/85/530095885.db2.gz OVWSVWINGOSQAI-WCQYABFASA-N 0 3 387.483 -0.669 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518218628 530095916 /nfs/dbraw/zinc/09/59/16/530095916.db2.gz OVWSVWINGOSQAI-YPMHNXCESA-N 0 3 387.483 -0.669 20 0 GBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000518262279 1072924283 /nfs/dbraw/zinc/92/42/83/1072924283.db2.gz YBYLQAYLYBNYAU-AWEZNQCLSA-N 0 3 388.534 -0.283 20 0 GBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000518262280 1072924335 /nfs/dbraw/zinc/92/43/35/1072924335.db2.gz YBYLQAYLYBNYAU-CQSZACIVSA-N 0 3 388.534 -0.283 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCc3ccccc3[C@H]1CN)CC2 ZINC000518375506 1072930118 /nfs/dbraw/zinc/93/01/18/1072930118.db2.gz CEYHJTXZBKUDLK-GDBMZVCRSA-N 0 3 398.467 -0.060 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCc3ccccc3[C@H]1CN)CC2 ZINC000518375512 1072930145 /nfs/dbraw/zinc/93/01/45/1072930145.db2.gz CEYHJTXZBKUDLK-GOEBONIOSA-N 0 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CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nnc2ccccn21 ZINC000518398489 1072929987 /nfs/dbraw/zinc/92/99/87/1072929987.db2.gz SXUIDDJNIOSGDV-YDHLFZDLSA-N 0 3 399.455 -0.687 20 0 GBADHN Cc1nc(S(=O)(=O)NCC(=O)N(C)CCCN2CCN(C)CC2)cn1C ZINC000518420249 1072930692 /nfs/dbraw/zinc/93/06/92/1072930692.db2.gz OVOYRCXSCBBNOT-UHFFFAOYSA-N 0 3 386.522 -0.897 20 0 GBADHN O=C(CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)NCCN1CCOCC1 ZINC000518425366 1072932300 /nfs/dbraw/zinc/93/23/00/1072932300.db2.gz OJCPPRBFAHDRKK-GOSISDBHSA-N 0 3 389.500 -0.142 20 0 GBADHN O=C(CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)NCCN1CCOCC1 ZINC000518425367 1072932102 /nfs/dbraw/zinc/93/21/02/1072932102.db2.gz OJCPPRBFAHDRKK-SFHVURJKSA-N 0 3 389.500 -0.142 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCC2([S@@](C)=O)CC2)CC1 ZINC000518444564 1072933352 /nfs/dbraw/zinc/93/33/52/1072933352.db2.gz SWRBEXPARCVVKL-AREMUKBSSA-N 0 3 380.470 -0.234 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000518444568 1072933477 /nfs/dbraw/zinc/93/34/77/1072933477.db2.gz SWRBEXPARCVVKL-SANMLTNESA-N 0 3 380.470 -0.234 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000518471749 1072934047 /nfs/dbraw/zinc/93/40/47/1072934047.db2.gz WGTQBJKQFMLOKD-UHFFFAOYSA-N 0 3 388.472 -0.239 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000518476826 1072935162 /nfs/dbraw/zinc/93/51/62/1072935162.db2.gz AYMWYYGKXMNGGW-UHFFFAOYSA-N 0 3 375.433 -0.054 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000518478630 1072934900 /nfs/dbraw/zinc/93/49/00/1072934900.db2.gz RIGLLXGBLHMKKK-UHFFFAOYSA-N 0 3 375.433 -0.054 20 0 GBADHN CN1C(=O)N(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C(=O)C12CCCCC2 ZINC000518564134 1072939781 /nfs/dbraw/zinc/93/97/81/1072939781.db2.gz IFSINZVNOZDAEA-CHWSQXEVSA-N 0 3 377.445 -0.646 20 0 GBADHN CN1C(=O)N(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C(=O)C12CCCCC2 ZINC000518564135 1072939881 /nfs/dbraw/zinc/93/98/81/1072939881.db2.gz IFSINZVNOZDAEA-OLZOCXBDSA-N 0 3 377.445 -0.646 20 0 GBADHN CN1C(=O)N(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C(=O)C12CCCCC2 ZINC000518564136 1072939996 /nfs/dbraw/zinc/93/99/96/1072939996.db2.gz IFSINZVNOZDAEA-QWHCGFSZSA-N 0 3 377.445 -0.646 20 0 GBADHN CN1C(=O)N(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C(=O)C12CCCCC2 ZINC000518564137 1072940186 /nfs/dbraw/zinc/94/01/86/1072940186.db2.gz IFSINZVNOZDAEA-STQMWFEESA-N 0 3 377.445 -0.646 20 0 GBADHN C[C@H](O)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000518565684 1072940569 /nfs/dbraw/zinc/94/05/69/1072940569.db2.gz IVAUVUUWHFXFIQ-ORQFMDKSSA-N 0 3 388.468 -0.572 20 0 GBADHN C[C@H](O)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000518565685 1072940924 /nfs/dbraw/zinc/94/09/24/1072940924.db2.gz IVAUVUUWHFXFIQ-PQEBFOHHSA-N 0 3 388.468 -0.572 20 0 GBADHN C[C@H](O)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000518565686 1072940681 /nfs/dbraw/zinc/94/06/81/1072940681.db2.gz IVAUVUUWHFXFIQ-RKTXRCNFSA-N 0 3 388.468 -0.572 20 0 GBADHN C[C@H](O)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000518565687 1072940984 /nfs/dbraw/zinc/94/09/84/1072940984.db2.gz IVAUVUUWHFXFIQ-SVGFKBNWSA-N 0 3 388.468 -0.572 20 0 GBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518565866 1072939108 /nfs/dbraw/zinc/93/91/08/1072939108.db2.gz PVVTZFRQHFUCIB-CMPLNLGQSA-N 0 3 378.360 -0.679 20 0 GBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518565867 1072938900 /nfs/dbraw/zinc/93/89/00/1072938900.db2.gz PVVTZFRQHFUCIB-JQWIXIFHSA-N 0 3 378.360 -0.679 20 0 GBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518565868 1072939743 /nfs/dbraw/zinc/93/97/43/1072939743.db2.gz PVVTZFRQHFUCIB-PWSUYJOCSA-N 0 3 378.360 -0.679 20 0 GBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518565869 1072940101 /nfs/dbraw/zinc/94/01/01/1072940101.db2.gz PVVTZFRQHFUCIB-ZYHUDNBSSA-N 0 3 378.360 -0.679 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(Br)c3)CCN2C1=O ZINC000518565937 530098677 /nfs/dbraw/zinc/09/86/77/530098677.db2.gz TXXWQFLYDGBNRO-CHWSQXEVSA-N 0 3 395.257 -0.164 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(Br)c3)CCN2C1=O ZINC000518565938 530098732 /nfs/dbraw/zinc/09/87/32/530098732.db2.gz TXXWQFLYDGBNRO-OLZOCXBDSA-N 0 3 395.257 -0.164 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(Br)c3)CCN2C1=O ZINC000518565939 530098823 /nfs/dbraw/zinc/09/88/23/530098823.db2.gz TXXWQFLYDGBNRO-QWHCGFSZSA-N 0 3 395.257 -0.164 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(Br)c3)CCN2C1=O ZINC000518565940 530098705 /nfs/dbraw/zinc/09/87/05/530098705.db2.gz TXXWQFLYDGBNRO-STQMWFEESA-N 0 3 395.257 -0.164 20 0 GBADHN CC(C)(CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)N1CCCCC1 ZINC000518573482 1072940689 /nfs/dbraw/zinc/94/06/89/1072940689.db2.gz SZRGQWDEHRVRCS-UHFFFAOYSA-N 0 3 393.532 -0.210 20 0 GBADHN CCCN(C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000518575545 1072940975 /nfs/dbraw/zinc/94/09/75/1072940975.db2.gz BPSORIWSKWNMPF-UHFFFAOYSA-N 0 3 383.518 -0.009 20 0 GBADHN CCCNC(=O)CN1CCC(NC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000518595064 1072941578 /nfs/dbraw/zinc/94/15/78/1072941578.db2.gz ILTWILHOBXUGDV-INIZCTEOSA-N 0 3 396.536 -0.384 20 0 GBADHN CCCNC(=O)CN1CCC(NC(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000518595065 1072941764 /nfs/dbraw/zinc/94/17/64/1072941764.db2.gz ILTWILHOBXUGDV-MRXNPFEDSA-N 0 3 396.536 -0.384 20 0 GBADHN COCCN(C)CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000518605277 530099189 /nfs/dbraw/zinc/09/91/89/530099189.db2.gz XOKQYFSKFPJLPB-AWEZNQCLSA-N 0 3 379.527 -0.475 20 0 GBADHN COCCN(C)CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000518605278 530099134 /nfs/dbraw/zinc/09/91/34/530099134.db2.gz XOKQYFSKFPJLPB-CQSZACIVSA-N 0 3 379.527 -0.475 20 0 GBADHN Cn1c(C(=O)NCCCCN2CCN(C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518749381 1072953663 /nfs/dbraw/zinc/95/36/63/1072953663.db2.gz MWJLFCYKORBJHN-UHFFFAOYSA-N 0 3 390.488 -0.667 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1=O ZINC000518760986 1072956090 /nfs/dbraw/zinc/95/60/90/1072956090.db2.gz XGODOAWBZFWEPU-UYTSQGDYSA-N 0 3 381.473 -0.477 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1=O ZINC000518760987 1072955980 /nfs/dbraw/zinc/95/59/80/1072955980.db2.gz XGODOAWBZFWEPU-WTXIUTQJSA-N 0 3 381.473 -0.477 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796983 1072959084 /nfs/dbraw/zinc/95/90/84/1072959084.db2.gz GYTJTPFQJPAXHA-MSOLQXFVSA-N 0 3 399.495 -0.114 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796984 1072958934 /nfs/dbraw/zinc/95/89/34/1072958934.db2.gz GYTJTPFQJPAXHA-QZTJIDSGSA-N 0 3 399.495 -0.114 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796985 1072959251 /nfs/dbraw/zinc/95/92/51/1072959251.db2.gz GYTJTPFQJPAXHA-ROUUACIJSA-N 0 3 399.495 -0.114 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796986 1073607205 /nfs/dbraw/zinc/60/72/05/1073607205.db2.gz GYTJTPFQJPAXHA-ZWKOTPCHSA-N 0 3 399.495 -0.114 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCn3ccc4ccccc43)CCN2C1=O ZINC000518797808 1072959196 /nfs/dbraw/zinc/95/91/96/1072959196.db2.gz PUXLHIIJBUEARK-CVEARBPZSA-N 0 3 383.452 -0.082 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCn3ccc4ccccc43)CCN2C1=O ZINC000518797809 1072959238 /nfs/dbraw/zinc/95/92/38/1072959238.db2.gz PUXLHIIJBUEARK-HOTGVXAUSA-N 0 3 383.452 -0.082 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCn3ccc4ccccc43)CCN2C1=O ZINC000518797810 1072959222 /nfs/dbraw/zinc/95/92/22/1072959222.db2.gz PUXLHIIJBUEARK-HZPDHXFCSA-N 0 3 383.452 -0.082 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCn3ccc4ccccc43)CCN2C1=O ZINC000518797811 1072959187 /nfs/dbraw/zinc/95/91/87/1072959187.db2.gz PUXLHIIJBUEARK-JKSUJKDBSA-N 0 3 383.452 -0.082 20 0 GBADHN CN1CCN(CCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518915819 1072964932 /nfs/dbraw/zinc/96/49/32/1072964932.db2.gz VDPAHJYVWQUJCM-KRWDZBQOSA-N 0 3 381.521 -0.937 20 0 GBADHN CN1CCN(CCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518915820 1072965102 /nfs/dbraw/zinc/96/51/02/1072965102.db2.gz VDPAHJYVWQUJCM-QGZVFWFLSA-N 0 3 381.521 -0.937 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000518926173 1072965934 /nfs/dbraw/zinc/96/59/34/1072965934.db2.gz HQWBIKACZPFUKD-UHFFFAOYSA-N 0 3 391.516 -0.550 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000518947181 1072969202 /nfs/dbraw/zinc/96/92/02/1072969202.db2.gz POFRQRNYFZGQNG-ARFHVFGLSA-N 0 3 379.505 -0.887 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000518947182 1072968960 /nfs/dbraw/zinc/96/89/60/1072968960.db2.gz POFRQRNYFZGQNG-BZUAXINKSA-N 0 3 379.505 -0.887 20 0 GBADHN O=C(NC[C@H]1CNCCO1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000518963932 530285138 /nfs/dbraw/zinc/28/51/38/530285138.db2.gz TTXGXYDGAMYAHP-GFCCVEGCSA-N 0 3 375.472 -0.513 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000518963933 530285199 /nfs/dbraw/zinc/28/51/99/530285199.db2.gz TTXGXYDGAMYAHP-LBPRGKRZSA-N 0 3 375.472 -0.513 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000519021987 1072974303 /nfs/dbraw/zinc/97/43/03/1072974303.db2.gz OYSUFMOUOFTADA-UHFFFAOYSA-N 0 3 394.520 -0.854 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)NCCCCN1CCN(C)CC1 ZINC000519058884 530285521 /nfs/dbraw/zinc/28/55/21/530285521.db2.gz BJVCJWKPEYVWCZ-UHFFFAOYSA-N 0 3 377.555 -0.015 20 0 GBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000519109336 1072981048 /nfs/dbraw/zinc/98/10/48/1072981048.db2.gz MFAKSHCBQCTUAL-UHFFFAOYSA-N 0 3 383.474 -0.670 20 0 GBADHN CC(=O)NCC(=O)NCC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000519121893 1072982050 /nfs/dbraw/zinc/98/20/50/1072982050.db2.gz UBLYARHGPOTYEW-UHFFFAOYSA-N 0 3 389.500 -0.485 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000519143154 530286117 /nfs/dbraw/zinc/28/61/17/530286117.db2.gz LSSWJDYCZYGDBC-GFCCVEGCSA-N 0 3 375.447 -0.423 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000519143156 530286204 /nfs/dbraw/zinc/28/62/04/530286204.db2.gz LSSWJDYCZYGDBC-LBPRGKRZSA-N 0 3 375.447 -0.423 20 0 GBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000519148605 1072983497 /nfs/dbraw/zinc/98/34/97/1072983497.db2.gz PKKOBOUSJWIDFK-CYBMUJFWSA-N 0 3 389.456 -0.185 20 0 GBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000519148606 1072983782 /nfs/dbraw/zinc/98/37/82/1072983782.db2.gz PKKOBOUSJWIDFK-ZDUSSCGKSA-N 0 3 389.456 -0.185 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182809 1072985474 /nfs/dbraw/zinc/98/54/74/1072985474.db2.gz AOEXBIHDFLJLOF-DLBZAZTESA-N 0 3 396.451 -0.699 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182810 1072985125 /nfs/dbraw/zinc/98/51/25/1072985125.db2.gz AOEXBIHDFLJLOF-IAGOWNOFSA-N 0 3 396.451 -0.699 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182811 1072985503 /nfs/dbraw/zinc/98/55/03/1072985503.db2.gz AOEXBIHDFLJLOF-IRXDYDNUSA-N 0 3 396.451 -0.699 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182812 1072985101 /nfs/dbraw/zinc/98/51/01/1072985101.db2.gz AOEXBIHDFLJLOF-SJORKVTESA-N 0 3 396.451 -0.699 20 0 GBADHN Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000519182884 1072985390 /nfs/dbraw/zinc/98/53/90/1072985390.db2.gz BYEILNOHZHYGNI-CVEARBPZSA-N 0 3 396.451 -0.433 20 0 GBADHN Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000519182885 1072985113 /nfs/dbraw/zinc/98/51/13/1072985113.db2.gz BYEILNOHZHYGNI-HOTGVXAUSA-N 0 3 396.451 -0.433 20 0 GBADHN Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000519182886 1072985237 /nfs/dbraw/zinc/98/52/37/1072985237.db2.gz BYEILNOHZHYGNI-HZPDHXFCSA-N 0 3 396.451 -0.433 20 0 GBADHN 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1073007848 /nfs/dbraw/zinc/00/78/48/1073007848.db2.gz KBYGQZDNBNVHNU-HOTGVXAUSA-N 0 3 398.504 -0.691 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CO[C@@H]2CCOC2)CC1 ZINC000519463468 1073007654 /nfs/dbraw/zinc/00/76/54/1073007654.db2.gz KBYGQZDNBNVHNU-HZPDHXFCSA-N 0 3 398.504 -0.691 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CO[C@@H]2CCOC2)CC1 ZINC000519463469 1073007433 /nfs/dbraw/zinc/00/74/33/1073007433.db2.gz KBYGQZDNBNVHNU-JKSUJKDBSA-N 0 3 398.504 -0.691 20 0 GBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC(C)(C(N)=O)C3)ccc2oc1=O ZINC000519542099 1073015884 /nfs/dbraw/zinc/01/58/84/1073015884.db2.gz VVILCKWUFUFAMP-UHFFFAOYSA-N 0 3 389.412 -0.572 20 0 GBADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1F ZINC000519543803 1073015208 /nfs/dbraw/zinc/01/52/08/1073015208.db2.gz GAJLINNLVXIRRN-PSASIEDQSA-N 0 3 396.350 -0.540 20 0 GBADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1F ZINC000519543833 1073014692 /nfs/dbraw/zinc/01/46/92/1073014692.db2.gz 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396.488 -0.937 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 ZINC000521500025 1073271214 /nfs/dbraw/zinc/27/12/14/1073271214.db2.gz VNDRYFHADLWTEM-HOTGVXAUSA-N 0 3 396.488 -0.937 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CC1 ZINC000521500026 1073271511 /nfs/dbraw/zinc/27/15/11/1073271511.db2.gz VNDRYFHADLWTEM-HZPDHXFCSA-N 0 3 396.488 -0.937 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 ZINC000521500027 1073271175 /nfs/dbraw/zinc/27/11/75/1073271175.db2.gz VNDRYFHADLWTEM-JKSUJKDBSA-N 0 3 396.488 -0.937 20 0 GBADHN NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000521518845 530462600 /nfs/dbraw/zinc/46/26/00/530462600.db2.gz QBRZPGRTKVPPOI-UHFFFAOYSA-N 0 3 386.499 -0.224 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000521571493 1073273736 /nfs/dbraw/zinc/27/37/36/1073273736.db2.gz MJFULNLMVFLHQE-ZDUSSCGKSA-N 0 3 388.415 -0.407 20 0 GBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(C)S(C)(=O)=O)c1 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GBADHN N[C@@H]1C[C@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CCN2C1=O ZINC000521900585 1073282431 /nfs/dbraw/zinc/28/24/31/1073282431.db2.gz RCJQEQJNBWLMMN-NWDGAFQWSA-N 0 3 393.494 -0.240 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CCN2C1=O ZINC000521900586 1073282492 /nfs/dbraw/zinc/28/24/92/1073282492.db2.gz RCJQEQJNBWLMMN-RYUDHWBXSA-N 0 3 393.494 -0.240 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CCN2C1=O ZINC000521900587 1073282103 /nfs/dbraw/zinc/28/21/03/1073282103.db2.gz RCJQEQJNBWLMMN-VXGBXAGGSA-N 0 3 393.494 -0.240 20 0 GBADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000521900625 1073282243 /nfs/dbraw/zinc/28/22/43/1073282243.db2.gz SESZJHWSQFHJIZ-KBPBESRZSA-N 0 3 387.440 -0.546 20 0 GBADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000521900626 1073282259 /nfs/dbraw/zinc/28/22/59/1073282259.db2.gz SESZJHWSQFHJIZ-KGLIPLIRSA-N 0 3 387.440 -0.546 20 0 GBADHN 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1073371747 /nfs/dbraw/zinc/37/17/47/1073371747.db2.gz QFNJKLGYXNFCRD-HNNXBMFYSA-N 0 3 394.476 -0.473 20 0 GBADHN COCCn1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000522495815 1073371666 /nfs/dbraw/zinc/37/16/66/1073371666.db2.gz QFNJKLGYXNFCRD-OAHLLOKOSA-N 0 3 394.476 -0.473 20 0 GBADHN COCCN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1C ZINC000522700350 1073431511 /nfs/dbraw/zinc/43/15/11/1073431511.db2.gz YZZPYSIMUWGEGJ-GOSISDBHSA-N 0 3 385.553 -0.261 20 0 GBADHN COCCN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1C ZINC000522700351 1073431374 /nfs/dbraw/zinc/43/13/74/1073431374.db2.gz YZZPYSIMUWGEGJ-SFHVURJKSA-N 0 3 385.553 -0.261 20 0 GBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(C)S(C)(=O)=O)c1 ZINC000522721471 530142193 /nfs/dbraw/zinc/14/21/93/530142193.db2.gz MKWZTHGSFJJHBR-LLVKDONJSA-N 0 3 378.472 -0.339 20 0 GBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(C)S(C)(=O)=O)c1 ZINC000522721472 530141754 /nfs/dbraw/zinc/14/17/54/530141754.db2.gz MKWZTHGSFJJHBR-NSHDSACASA-N 0 3 378.472 -0.339 20 0 GBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000522771162 1073434844 /nfs/dbraw/zinc/43/48/44/1073434844.db2.gz JOQHUZOUAVKKSW-HNNXBMFYSA-N 0 3 388.472 -0.053 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000522771163 1073434902 /nfs/dbraw/zinc/43/49/02/1073434902.db2.gz JOQHUZOUAVKKSW-OAHLLOKOSA-N 0 3 388.472 -0.053 20 0 GBADHN CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000522772571 1073434796 /nfs/dbraw/zinc/43/47/96/1073434796.db2.gz NPKMFIRDAOEFQD-UHFFFAOYSA-N 0 3 388.472 -0.244 20 0 GBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000522773446 1073434856 /nfs/dbraw/zinc/43/48/56/1073434856.db2.gz GBVHHHCUZXIPAQ-AWEZNQCLSA-N 0 3 375.429 -0.559 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000522773447 1073434668 /nfs/dbraw/zinc/43/46/68/1073434668.db2.gz GBVHHHCUZXIPAQ-CQSZACIVSA-N 0 3 375.429 -0.559 20 0 GBADHN CC(=O)NCCNC(=O)CCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000522813929 1073454380 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0 GBADHN CCn1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1=O ZINC000523040509 1073498828 /nfs/dbraw/zinc/49/88/28/1073498828.db2.gz RNQCAXTUUWDDGZ-OAHLLOKOSA-N 0 3 391.472 -0.134 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523209103 1073538151 /nfs/dbraw/zinc/53/81/51/1073538151.db2.gz WWMJPTJEBZXPRI-INIZCTEOSA-N 0 3 396.536 -0.608 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523209104 1073538419 /nfs/dbraw/zinc/53/84/19/1073538419.db2.gz WWMJPTJEBZXPRI-MRXNPFEDSA-N 0 3 396.536 -0.608 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000523209760 1073538606 /nfs/dbraw/zinc/53/86/06/1073538606.db2.gz WMECFPIWGBDQBG-INIZCTEOSA-N 0 3 396.536 -0.608 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000523209761 1073538362 /nfs/dbraw/zinc/53/83/62/1073538362.db2.gz WMECFPIWGBDQBG-MRXNPFEDSA-N 0 3 396.536 -0.608 20 0 GBADHN CCN1CCN(CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)C(=O)C1=O ZINC000523392069 1073550255 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CCS(=O)(=O)NCCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523625750 1073556814 /nfs/dbraw/zinc/55/68/14/1073556814.db2.gz UOQSGMWWOCBWLI-CQSZACIVSA-N 0 3 391.538 -0.442 20 0 GBADHN CC(C)NS(=O)(=O)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523626468 1073557040 /nfs/dbraw/zinc/55/70/40/1073557040.db2.gz FCIPCNBDRPBUPB-AWEZNQCLSA-N 0 3 391.538 -0.444 20 0 GBADHN CC(C)NS(=O)(=O)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523626469 1073556771 /nfs/dbraw/zinc/55/67/71/1073556771.db2.gz FCIPCNBDRPBUPB-CQSZACIVSA-N 0 3 391.538 -0.444 20 0 GBADHN COCC(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523627856 1073556595 /nfs/dbraw/zinc/55/65/95/1073556595.db2.gz NXUYAUFQSSBJKK-HNNXBMFYSA-N 0 3 383.493 -0.571 20 0 GBADHN COCC(=O)N1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523627857 1073557020 /nfs/dbraw/zinc/55/70/20/1073557020.db2.gz NXUYAUFQSSBJKK-OAHLLOKOSA-N 0 3 383.493 -0.571 20 0 GBADHN CCN1CCN(CCNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000523660845 1073559834 /nfs/dbraw/zinc/55/98/34/1073559834.db2.gz PZJCHYSPBWYQPZ-UHFFFAOYSA-N 0 3 386.522 -0.849 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1C(=O)CNC1=O ZINC000523667830 1073558684 /nfs/dbraw/zinc/55/86/84/1073558684.db2.gz UZWYRQFKWQRPPT-UHFFFAOYSA-N 0 3 377.401 -0.637 20 0 GBADHN Cn1c(=O)ccn(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)c1=O ZINC000523670960 1073558948 /nfs/dbraw/zinc/55/89/48/1073558948.db2.gz XMURSLAORMBHRS-HNNXBMFYSA-N 0 3 399.451 -0.117 20 0 GBADHN Cn1c(=O)ccn(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)c1=O ZINC000523670961 1073558838 /nfs/dbraw/zinc/55/88/38/1073558838.db2.gz XMURSLAORMBHRS-OAHLLOKOSA-N 0 3 399.451 -0.117 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1=O ZINC000523687534 1073561015 /nfs/dbraw/zinc/56/10/15/1073561015.db2.gz FBBHVDKFXUMMAX-KRWDZBQOSA-N 0 3 393.532 -0.447 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1=O ZINC000523687535 1073560650 /nfs/dbraw/zinc/56/06/50/1073560650.db2.gz FBBHVDKFXUMMAX-QGZVFWFLSA-N 0 3 393.532 -0.447 20 0 GBADHN CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000523831505 530465196 /nfs/dbraw/zinc/46/51/96/530465196.db2.gz URUZYTBNGGHVJT-UHFFFAOYSA-N 0 3 375.491 -0.101 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(=O)NCC(F)(F)F ZINC000523914783 1073570252 /nfs/dbraw/zinc/57/02/52/1073570252.db2.gz MPBGVDACCLMISN-LLVKDONJSA-N 0 3 381.399 -0.093 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(=O)NCC(F)(F)F ZINC000523914784 1073569902 /nfs/dbraw/zinc/56/99/02/1073569902.db2.gz MPBGVDACCLMISN-NSHDSACASA-N 0 3 381.399 -0.093 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCN1CCCS1(=O)=O ZINC000523915816 1073570004 /nfs/dbraw/zinc/57/00/04/1073570004.db2.gz MEKDTGRUIVBWHB-AWEZNQCLSA-N 0 3 389.522 -0.736 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCN1CCCS1(=O)=O ZINC000523915817 1073569790 /nfs/dbraw/zinc/56/97/90/1073569790.db2.gz MEKDTGRUIVBWHB-CQSZACIVSA-N 0 3 389.522 -0.736 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)NC1CC1 ZINC000523917071 1073570478 /nfs/dbraw/zinc/57/04/78/1073570478.db2.gz MUGUONJSKQOYCK-AWEZNQCLSA-N 0 3 389.522 -0.690 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)NC1CC1 ZINC000523917074 1073570383 /nfs/dbraw/zinc/57/03/83/1073570383.db2.gz MUGUONJSKQOYCK-CQSZACIVSA-N 0 3 389.522 -0.690 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000523970111 1073571288 /nfs/dbraw/zinc/57/12/88/1073571288.db2.gz RJCUGQZALAWFSL-HNNXBMFYSA-N 0 3 389.456 -0.217 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000523970112 1073571385 /nfs/dbraw/zinc/57/13/85/1073571385.db2.gz RJCUGQZALAWFSL-OAHLLOKOSA-N 0 3 389.456 -0.217 20 0 GBADHN CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000523988150 1073572359 /nfs/dbraw/zinc/57/23/59/1073572359.db2.gz MOAVDIGFQAQUTB-UHFFFAOYSA-N 0 3 386.474 -0.249 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)CN1CCN(C)CC1 ZINC000524035050 1073574042 /nfs/dbraw/zinc/57/40/42/1073574042.db2.gz PDALOBWVDVXGAF-AWEZNQCLSA-N 0 3 386.460 -0.400 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)CN1CCN(C)CC1 ZINC000524035051 1073574505 /nfs/dbraw/zinc/57/45/05/1073574505.db2.gz PDALOBWVDVXGAF-CQSZACIVSA-N 0 3 386.460 -0.400 20 0 GBADHN COCCN(C)CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000524035822 1073573907 /nfs/dbraw/zinc/57/39/07/1073573907.db2.gz FPTKBZHPRPWACS-UHFFFAOYSA-N 0 3 385.490 -0.324 20 0 GBADHN CNC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cn1C ZINC000524121121 1073575215 /nfs/dbraw/zinc/57/52/15/1073575215.db2.gz LAJHTWPEHWDFSV-GFCCVEGCSA-N 0 3 385.490 -0.750 20 0 GBADHN CNC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cn1C ZINC000524121127 1073575103 /nfs/dbraw/zinc/57/51/03/1073575103.db2.gz LAJHTWPEHWDFSV-LBPRGKRZSA-N 0 3 385.490 -0.750 20 0 GBADHN COCCN(C)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000524234459 530465485 /nfs/dbraw/zinc/46/54/85/530465485.db2.gz RBHMMTMJQKUNHA-UHFFFAOYSA-N 0 3 377.438 -0.281 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000524264513 530465565 /nfs/dbraw/zinc/46/55/65/530465565.db2.gz NRYFEQWACRIYPV-GFCCVEGCSA-N 0 3 388.515 -0.270 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000524264513 530465563 /nfs/dbraw/zinc/46/55/63/530465563.db2.gz NRYFEQWACRIYPV-GFCCVEGCSA-N 0 3 388.515 -0.270 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000524264514 530465552 /nfs/dbraw/zinc/46/55/52/530465552.db2.gz NRYFEQWACRIYPV-LBPRGKRZSA-N 0 3 388.515 -0.270 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000524264514 530465550 /nfs/dbraw/zinc/46/55/50/530465550.db2.gz NRYFEQWACRIYPV-LBPRGKRZSA-N 0 3 388.515 -0.270 20 0 GBADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc2c([n-]1)n(C)c(=O)[nH]c2=O ZINC000524351675 1073582130 /nfs/dbraw/zinc/58/21/30/1073582130.db2.gz NISZUZZHZQNQSJ-LLVKDONJSA-N 0 3 378.433 -0.478 20 0 GBADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc2c([n-]1)n(C)c(=O)[nH]c2=O ZINC000524351675 1073582119 /nfs/dbraw/zinc/58/21/19/1073582119.db2.gz NISZUZZHZQNQSJ-LLVKDONJSA-N 0 3 378.433 -0.478 20 0 GBADHN COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1nc2c([n-]1)n(C)c(=O)[nH]c2=O ZINC000524351676 1073581968 /nfs/dbraw/zinc/58/19/68/1073581968.db2.gz NISZUZZHZQNQSJ-NSHDSACASA-N 0 3 378.433 -0.478 20 0 GBADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc2c([n-]1)n(C)c(=O)[nH]c2=O ZINC000524351676 1073581958 /nfs/dbraw/zinc/58/19/58/1073581958.db2.gz NISZUZZHZQNQSJ-NSHDSACASA-N 0 3 378.433 -0.478 20 0 GBADHN CN(C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCOCC1 ZINC000524388839 530465297 /nfs/dbraw/zinc/46/52/97/530465297.db2.gz OUQHNIGQGXBCBF-UHFFFAOYSA-N 0 3 377.488 -0.277 20 0 GBADHN C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)CN1CCN(C)CC1 ZINC000524416870 1073583541 /nfs/dbraw/zinc/58/35/41/1073583541.db2.gz JUBXQLVCHVGBLR-CYBMUJFWSA-N 0 3 390.488 -0.811 20 0 GBADHN C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)CN1CCN(C)CC1 ZINC000524416871 1073582822 /nfs/dbraw/zinc/58/28/22/1073582822.db2.gz JUBXQLVCHVGBLR-ZDUSSCGKSA-N 0 3 390.488 -0.811 20 0 GBADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000524490441 1073585818 /nfs/dbraw/zinc/58/58/18/1073585818.db2.gz QVWHMEKTCXJAIB-CYBMUJFWSA-N 0 3 377.445 -0.774 20 0 GBADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000524490442 1073585729 /nfs/dbraw/zinc/58/57/29/1073585729.db2.gz QVWHMEKTCXJAIB-ZDUSSCGKSA-N 0 3 377.445 -0.774 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000524561447 1073589968 /nfs/dbraw/zinc/58/99/68/1073589968.db2.gz JUKLAGVPXKEQQI-INIZCTEOSA-N 0 3 393.440 -0.010 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 ZINC000524561448 1073590401 /nfs/dbraw/zinc/59/04/01/1073590401.db2.gz JUKLAGVPXKEQQI-MRXNPFEDSA-N 0 3 393.440 -0.010 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000524697061 1073594554 /nfs/dbraw/zinc/59/45/54/1073594554.db2.gz XWHQOUXQNPZPKF-UHFFFAOYSA-N 0 3 388.472 -0.101 20 0 GBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000524709834 530465864 /nfs/dbraw/zinc/46/58/64/530465864.db2.gz CJNOKHWYYABVRM-UHFFFAOYSA-N 0 3 378.520 -0.552 20 0 GBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000524709862 1073595653 /nfs/dbraw/zinc/59/56/53/1073595653.db2.gz GQNPBDASAKWSRM-UHFFFAOYSA-N 0 3 398.489 -0.852 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000524762736 1073597827 /nfs/dbraw/zinc/59/78/27/1073597827.db2.gz HMMYYXWPZLUIBY-UHFFFAOYSA-N 0 3 375.433 -0.006 20 0 GBADHN CN1CCN(CCCCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000524773474 1073598823 /nfs/dbraw/zinc/59/88/23/1073598823.db2.gz VFVAHOOZDCTMRH-UHFFFAOYSA-N 0 3 390.488 -0.818 20 0 GBADHN C[C@@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)CN1CCN(C)CC1 ZINC000524777636 530466352 /nfs/dbraw/zinc/46/63/52/530466352.db2.gz WHKCNYNSGLPNAA-AWEZNQCLSA-N 0 3 377.555 -0.113 20 0 GBADHN C[C@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)CN1CCN(C)CC1 ZINC000524777637 530466365 /nfs/dbraw/zinc/46/63/65/530466365.db2.gz WHKCNYNSGLPNAA-CQSZACIVSA-N 0 3 377.555 -0.113 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000524780390 1073598970 /nfs/dbraw/zinc/59/89/70/1073598970.db2.gz MLKPBPLMVNXNFN-HNNXBMFYSA-N 0 3 378.477 -0.277 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000524780398 1073598482 /nfs/dbraw/zinc/59/84/82/1073598482.db2.gz MLKPBPLMVNXNFN-OAHLLOKOSA-N 0 3 378.477 -0.277 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000524781315 1073599177 /nfs/dbraw/zinc/59/91/77/1073599177.db2.gz LDHNLSIKTSLDKJ-CVEARBPZSA-N 0 3 389.566 -0.017 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000524781316 1073598627 /nfs/dbraw/zinc/59/86/27/1073598627.db2.gz LDHNLSIKTSLDKJ-HOTGVXAUSA-N 0 3 389.566 -0.017 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000524781317 1073598907 /nfs/dbraw/zinc/59/89/07/1073598907.db2.gz LDHNLSIKTSLDKJ-HZPDHXFCSA-N 0 3 389.566 -0.017 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000524781318 1073599030 /nfs/dbraw/zinc/59/90/30/1073599030.db2.gz LDHNLSIKTSLDKJ-JKSUJKDBSA-N 0 3 389.566 -0.017 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000524792735 1073600481 /nfs/dbraw/zinc/60/04/81/1073600481.db2.gz OWERUNRMRLMONE-UHFFFAOYSA-N 0 3 381.521 -0.983 20 0 GBADHN CC(=O)N[C@@H](CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(N)=O ZINC000524866269 1073604261 /nfs/dbraw/zinc/60/42/61/1073604261.db2.gz GVPCJRHNGGWABR-SFHVURJKSA-N 0 3 389.500 -0.309 20 0 GBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NC[C@H]2CCC[N@H+]2CCOC)c1 ZINC000524967812 1073607917 /nfs/dbraw/zinc/60/79/17/1073607917.db2.gz DNOOOEQOTMBOSR-CYBMUJFWSA-N 0 3 388.490 -0.220 20 0 GBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000524967812 1073607909 /nfs/dbraw/zinc/60/79/09/1073607909.db2.gz DNOOOEQOTMBOSR-CYBMUJFWSA-N 0 3 388.490 -0.220 20 0 GBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000524967812 1073607904 /nfs/dbraw/zinc/60/79/04/1073607904.db2.gz DNOOOEQOTMBOSR-CYBMUJFWSA-N 0 3 388.490 -0.220 20 0 GBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1 ZINC000524967815 1073608004 /nfs/dbraw/zinc/60/80/04/1073608004.db2.gz DNOOOEQOTMBOSR-ZDUSSCGKSA-N 0 3 388.490 -0.220 20 0 GBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000524967815 1073608001 /nfs/dbraw/zinc/60/80/01/1073608001.db2.gz DNOOOEQOTMBOSR-ZDUSSCGKSA-N 0 3 388.490 -0.220 20 0 GBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000524967815 1073607996 /nfs/dbraw/zinc/60/79/96/1073607996.db2.gz DNOOOEQOTMBOSR-ZDUSSCGKSA-N 0 3 388.490 -0.220 20 0 GBADHN Cc1nnc(CN(C)CC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1C ZINC000524968662 1073608142 /nfs/dbraw/zinc/60/81/42/1073608142.db2.gz PBPHUEDDEJLFHU-HNNXBMFYSA-N 0 3 379.509 -0.386 20 0 GBADHN Cc1nnc(CN(C)CC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1C ZINC000524968663 1073608389 /nfs/dbraw/zinc/60/83/89/1073608389.db2.gz PBPHUEDDEJLFHU-OAHLLOKOSA-N 0 3 379.509 -0.386 20 0 GBADHN O=C(NCCCN1C(=O)CNC1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524997114 1073608405 /nfs/dbraw/zinc/60/84/05/1073608405.db2.gz WJXFNXKQQKFGOV-IBGZPJMESA-N 0 3 389.456 -0.136 20 0 GBADHN O=C(NCCCN1C(=O)CNC1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524997119 1073608380 /nfs/dbraw/zinc/60/83/80/1073608380.db2.gz WJXFNXKQQKFGOV-LJQANCHMSA-N 0 3 389.456 -0.136 20 0 GBADHN CN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCCN(C)C1 ZINC000525010298 1073609173 /nfs/dbraw/zinc/60/91/73/1073609173.db2.gz WVASVXXDUSXFMF-HNNXBMFYSA-N 0 3 394.497 -0.027 20 0 GBADHN CN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1CCCN(C)C1 ZINC000525010301 1073609300 /nfs/dbraw/zinc/60/93/00/1073609300.db2.gz WVASVXXDUSXFMF-OAHLLOKOSA-N 0 3 394.497 -0.027 20 0 GBADHN CCCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC(C)(C)O ZINC000525110173 1073612023 /nfs/dbraw/zinc/61/20/23/1073612023.db2.gz VNUPKRVMRVQBOY-UHFFFAOYSA-N 0 3 384.521 -0.528 20 0 GBADHN COCCN1CCC(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000525298507 1073621645 /nfs/dbraw/zinc/62/16/45/1073621645.db2.gz WEKLJOGXCZZYJT-UHFFFAOYSA-N 0 3 378.477 -0.277 20 0 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O=C(NCCN1C(=O)CNC1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000525512676 1073631363 /nfs/dbraw/zinc/63/13/63/1073631363.db2.gz JTFBSDIEVNUKTB-GOSISDBHSA-N 0 3 375.429 -0.526 20 0 GBADHN O=C(NCCN1C(=O)CNC1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000525512677 1073631285 /nfs/dbraw/zinc/63/12/85/1073631285.db2.gz JTFBSDIEVNUKTB-SFHVURJKSA-N 0 3 375.429 -0.526 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCN(C)C2CC2)s1 ZINC000525690989 530112757 /nfs/dbraw/zinc/11/27/57/530112757.db2.gz HUCHGTRKHFFGMQ-UHFFFAOYSA-N 0 3 388.515 -0.127 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000525692630 1073637851 /nfs/dbraw/zinc/63/78/51/1073637851.db2.gz ZRKYASLXZHAGJS-UHFFFAOYSA-N 0 3 395.529 -0.058 20 0 GBADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000525758564 1073638613 /nfs/dbraw/zinc/63/86/13/1073638613.db2.gz IEGOIILVMMMCLJ-UHFFFAOYSA-N 0 3 384.396 -0.303 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(CCNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000525779890 1073640352 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COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000525896583 1073647743 /nfs/dbraw/zinc/64/77/43/1073647743.db2.gz YVGBZXPEMHIYDC-GFCCVEGCSA-N 0 3 384.458 -0.415 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000525896584 1073647770 /nfs/dbraw/zinc/64/77/70/1073647770.db2.gz YVGBZXPEMHIYDC-LBPRGKRZSA-N 0 3 384.458 -0.415 20 0 GBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000525917164 1073649605 /nfs/dbraw/zinc/64/96/05/1073649605.db2.gz KZUXKAFJJYPRFP-FQEVSTJZSA-N 0 3 390.484 -0.326 20 0 GBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000525917165 1073649406 /nfs/dbraw/zinc/64/94/06/1073649406.db2.gz KZUXKAFJJYPRFP-HXUWFJFHSA-N 0 3 390.484 -0.326 20 0 GBADHN COc1cnccc1N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000525989947 1073651230 /nfs/dbraw/zinc/65/12/30/1073651230.db2.gz LUPFLJITMVTUGR-UHFFFAOYSA-N 0 3 383.474 -0.043 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000526037045 1073652403 /nfs/dbraw/zinc/65/24/03/1073652403.db2.gz RNHKSQDASDPNIS-UHFFFAOYSA-N 0 3 386.474 -0.305 20 0 GBADHN COc1cnccc1N1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000526037528 1073652367 /nfs/dbraw/zinc/65/23/67/1073652367.db2.gz FATWXSGGKLBCLP-UHFFFAOYSA-N 0 3 394.457 -0.549 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000526331393 530297467 /nfs/dbraw/zinc/29/74/67/530297467.db2.gz XDLBBRZRZHJOQS-UHFFFAOYSA-N 0 3 376.504 -0.750 20 0 GBADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000526334928 530297594 /nfs/dbraw/zinc/29/75/94/530297594.db2.gz HCWLWYSBYBUNHF-CYBMUJFWSA-N 0 3 390.531 -0.362 20 0 GBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000526334929 530297653 /nfs/dbraw/zinc/29/76/53/530297653.db2.gz HCWLWYSBYBUNHF-ZDUSSCGKSA-N 0 3 390.531 -0.362 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000526465883 1073657980 /nfs/dbraw/zinc/65/79/80/1073657980.db2.gz PXNXWMYRFWVWFD-CYBMUJFWSA-N 0 3 398.485 -0.025 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000526465884 1073658093 /nfs/dbraw/zinc/65/80/93/1073658093.db2.gz PXNXWMYRFWVWFD-ZDUSSCGKSA-N 0 3 398.485 -0.025 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1=O ZINC000527017488 1073665981 /nfs/dbraw/zinc/66/59/81/1073665981.db2.gz AIUXXEZKXNNIFK-CYBMUJFWSA-N 0 3 388.424 -0.075 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1=O ZINC000527017490 1073665806 /nfs/dbraw/zinc/66/58/06/1073665806.db2.gz AIUXXEZKXNNIFK-ZDUSSCGKSA-N 0 3 388.424 -0.075 20 0 GBADHN CCN1CCN(CC(=O)N2CCN(c3ccncc3OC)CC2)C(=O)C1=O ZINC000527029271 1073666865 /nfs/dbraw/zinc/66/68/65/1073666865.db2.gz ZVJCLVDWOPCLFF-UHFFFAOYSA-N 0 3 375.429 -0.571 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000527149397 1073675913 /nfs/dbraw/zinc/67/59/13/1073675913.db2.gz CJCPZHKZWRGJMP-AWEZNQCLSA-N 0 3 392.456 -0.205 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000527149402 1073675819 /nfs/dbraw/zinc/67/58/19/1073675819.db2.gz CJCPZHKZWRGJMP-CQSZACIVSA-N 0 3 392.456 -0.205 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cs1 ZINC000527210573 1073677497 /nfs/dbraw/zinc/67/74/97/1073677497.db2.gz JZOFOAYFHQMNMU-AWEZNQCLSA-N 0 3 399.542 -0.326 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cs1 ZINC000527210574 1073677286 /nfs/dbraw/zinc/67/72/86/1073677286.db2.gz JZOFOAYFHQMNMU-CQSZACIVSA-N 0 3 399.542 -0.326 20 0 GBADHN CCOC(=O)C1CCN(S(=O)(=O)NCCN2CCN(CC)CC2)CC1 ZINC000527385415 530287631 /nfs/dbraw/zinc/28/76/31/530287631.db2.gz WLNLVDMRIPKCQX-UHFFFAOYSA-N 0 3 376.523 -0.267 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000527439794 1073685860 /nfs/dbraw/zinc/68/58/60/1073685860.db2.gz OYMUTYUJPJQVLU-CYBMUJFWSA-N 0 3 389.412 -0.542 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000527439795 1073685812 /nfs/dbraw/zinc/68/58/12/1073685812.db2.gz OYMUTYUJPJQVLU-ZDUSSCGKSA-N 0 3 389.412 -0.542 20 0 GBADHN C[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C1=CCN(C)CC1 ZINC000527501702 1073686815 /nfs/dbraw/zinc/68/68/15/1073686815.db2.gz SLCVRPGPIZZPSA-CYBMUJFWSA-N 0 3 391.476 -0.691 20 0 GBADHN C[C@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C1=CCN(C)CC1 ZINC000527501703 1073686744 /nfs/dbraw/zinc/68/67/44/1073686744.db2.gz SLCVRPGPIZZPSA-ZDUSSCGKSA-N 0 3 391.476 -0.691 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)CC1 ZINC000527585972 1073691205 /nfs/dbraw/zinc/69/12/05/1073691205.db2.gz AOVVJAOBHLGCBE-ILXRZTDVSA-N 0 3 393.492 -0.535 20 0 GBADHN CN1CCN(c2ncc(CNC[C@]3(CO)COCC4(CCC4)N3C)cn2)CC1 ZINC000527753300 1073697441 /nfs/dbraw/zinc/69/74/41/1073697441.db2.gz KOBQLZWWLFCBMY-FQEVSTJZSA-N 0 3 390.532 -0.066 20 0 GBADHN CN1CCN(c2ncc(CNC[C@@]3(CO)COCC4(CCC4)N3C)cn2)CC1 ZINC000527753305 1073697997 /nfs/dbraw/zinc/69/79/97/1073697997.db2.gz KOBQLZWWLFCBMY-HXUWFJFHSA-N 0 3 390.532 -0.066 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC000527766595 1073698115 /nfs/dbraw/zinc/69/81/15/1073698115.db2.gz CHELRMRIFWMDTD-INIZCTEOSA-N 0 3 383.493 -0.523 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC000527766596 1073697823 /nfs/dbraw/zinc/69/78/23/1073697823.db2.gz CHELRMRIFWMDTD-MRXNPFEDSA-N 0 3 383.493 -0.523 20 0 GBADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)CN1CCN(C)CC1 ZINC000527797293 1073699635 /nfs/dbraw/zinc/69/96/35/1073699635.db2.gz KWVOQVNBGHIACH-HNNXBMFYSA-N 0 3 387.550 -0.311 20 0 GBADHN C[C@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)CN1CCN(C)CC1 ZINC000527797297 1073699255 /nfs/dbraw/zinc/69/92/55/1073699255.db2.gz KWVOQVNBGHIACH-OAHLLOKOSA-N 0 3 387.550 -0.311 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](CNC(=O)NC)C2)CC1 ZINC000527799043 1073699564 /nfs/dbraw/zinc/69/95/64/1073699564.db2.gz QTNQDDOVNBOSNF-CVEARBPZSA-N 0 3 384.525 -0.401 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@H](CNC(=O)NC)C2)CC1 ZINC000527799052 1073699113 /nfs/dbraw/zinc/69/91/13/1073699113.db2.gz QTNQDDOVNBOSNF-HOTGVXAUSA-N 0 3 384.525 -0.401 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1 ZINC000527799055 1073698975 /nfs/dbraw/zinc/69/89/75/1073698975.db2.gz QTNQDDOVNBOSNF-HZPDHXFCSA-N 0 3 384.525 -0.401 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1 ZINC000527799059 1073699187 /nfs/dbraw/zinc/69/91/87/1073699187.db2.gz QTNQDDOVNBOSNF-JKSUJKDBSA-N 0 3 384.525 -0.401 20 0 GBADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000527811436 1073699381 /nfs/dbraw/zinc/69/93/81/1073699381.db2.gz ZHOCEOKIODRETH-CABCVRRESA-N 0 3 398.508 -0.732 20 0 GBADHN CNC(=O)NC[C@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000527811437 1073699152 /nfs/dbraw/zinc/69/91/52/1073699152.db2.gz ZHOCEOKIODRETH-GJZGRUSLSA-N 0 3 398.508 -0.732 20 0 GBADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000527811438 1073699477 /nfs/dbraw/zinc/69/94/77/1073699477.db2.gz ZHOCEOKIODRETH-HUUCEWRRSA-N 0 3 398.508 -0.732 20 0 GBADHN CNC(=O)NC[C@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000527811439 1073699506 /nfs/dbraw/zinc/69/95/06/1073699506.db2.gz ZHOCEOKIODRETH-LSDHHAIUSA-N 0 3 398.508 -0.732 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000527868708 1073701148 /nfs/dbraw/zinc/70/11/48/1073701148.db2.gz TVVKKXJTUDCBBC-HNNXBMFYSA-N 0 3 387.550 -0.168 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000527868714 1073701449 /nfs/dbraw/zinc/70/14/49/1073701449.db2.gz TVVKKXJTUDCBBC-OAHLLOKOSA-N 0 3 387.550 -0.168 20 0 GBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000527904715 1073701559 /nfs/dbraw/zinc/70/15/59/1073701559.db2.gz DVKQGMUIJUBFMU-UHFFFAOYSA-N 0 3 396.536 -0.608 20 0 GBADHN CN1CCN(CCNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1(C)C ZINC000527918982 1073702534 /nfs/dbraw/zinc/70/25/34/1073702534.db2.gz XLUDNJYWVQSLFY-UHFFFAOYSA-N 0 3 387.550 -0.168 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)CCN2C1=O ZINC000528045302 1073703770 /nfs/dbraw/zinc/70/37/70/1073703770.db2.gz DLQHMZDMAYTOKW-DZGCQCFKSA-N 0 3 390.465 -0.546 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)CCN2C1=O ZINC000528045303 1073703751 /nfs/dbraw/zinc/70/37/51/1073703751.db2.gz DLQHMZDMAYTOKW-HIFRSBDPSA-N 0 3 390.465 -0.546 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)CCN2C1=O ZINC000528045305 1073703537 /nfs/dbraw/zinc/70/35/37/1073703537.db2.gz DLQHMZDMAYTOKW-UKRRQHHQSA-N 0 3 390.465 -0.546 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)CCN2C1=O ZINC000528045307 1073703424 /nfs/dbraw/zinc/70/34/24/1073703424.db2.gz DLQHMZDMAYTOKW-ZFWWWQNUSA-N 0 3 390.465 -0.546 20 0 GBADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1F ZINC000528056011 530357794 /nfs/dbraw/zinc/35/77/94/530357794.db2.gz LNWZJHTZSKGQJT-UHFFFAOYSA-N 0 3 381.451 -0.017 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528351164 1073710861 /nfs/dbraw/zinc/71/08/61/1073710861.db2.gz BQNPWADRJGJJQM-GJZGRUSLSA-N 0 3 388.534 -0.283 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528351170 1073711708 /nfs/dbraw/zinc/71/17/08/1073711708.db2.gz BQNPWADRJGJJQM-LSDHHAIUSA-N 0 3 388.534 -0.283 20 0 GBADHN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000528355027 1073711987 /nfs/dbraw/zinc/71/19/87/1073711987.db2.gz NGNWNCGZYODCJP-DZGCQCFKSA-N 0 3 386.518 -0.401 20 0 GBADHN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000528355029 1073711788 /nfs/dbraw/zinc/71/17/88/1073711788.db2.gz NGNWNCGZYODCJP-ZFWWWQNUSA-N 0 3 386.518 -0.401 20 0 GBADHN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000528416848 1073712521 /nfs/dbraw/zinc/71/25/21/1073712521.db2.gz XAPSCEJZWMBNPD-HNNXBMFYSA-N 0 3 386.518 -0.575 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000528417345 1073712807 /nfs/dbraw/zinc/71/28/07/1073712807.db2.gz ZUTRKDYJUFRHGJ-HNNXBMFYSA-N 0 3 376.461 -0.305 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000528417346 1073712701 /nfs/dbraw/zinc/71/27/01/1073712701.db2.gz ZUTRKDYJUFRHGJ-OAHLLOKOSA-N 0 3 376.461 -0.305 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528421227 1073712931 /nfs/dbraw/zinc/71/29/31/1073712931.db2.gz DOQDQWSTUYITHN-HNNXBMFYSA-N 0 3 388.534 -0.329 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000528421400 1073712984 /nfs/dbraw/zinc/71/29/84/1073712984.db2.gz GWOOPCKKGRMBCM-HNNXBMFYSA-N 0 3 378.477 -0.059 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000528421402 1073712628 /nfs/dbraw/zinc/71/26/28/1073712628.db2.gz GWOOPCKKGRMBCM-OAHLLOKOSA-N 0 3 378.477 -0.059 20 0 GBADHN Cc1cncn1CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000528453828 1073713973 /nfs/dbraw/zinc/71/39/73/1073713973.db2.gz VSJDNVFCUBWAOP-UHFFFAOYSA-N 0 3 376.505 -0.112 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000528478793 530468916 /nfs/dbraw/zinc/46/89/16/530468916.db2.gz SHDFSVRKXCKZIY-HNNXBMFYSA-N 0 3 394.563 -0.195 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000528478797 530286141 /nfs/dbraw/zinc/28/61/41/530286141.db2.gz SHDFSVRKXCKZIY-OAHLLOKOSA-N 0 3 394.563 -0.195 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528553072 530469227 /nfs/dbraw/zinc/46/92/27/530469227.db2.gz QORMYRVYCVLIKD-AWEZNQCLSA-N 0 3 380.536 -0.585 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528553080 530469332 /nfs/dbraw/zinc/46/93/32/530469332.db2.gz QORMYRVYCVLIKD-CQSZACIVSA-N 0 3 380.536 -0.585 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CC3(CCOCC3)CC[C@H]2CO)CC1 ZINC000528641003 1073718621 /nfs/dbraw/zinc/71/86/21/1073718621.db2.gz SAYWJXXFJFXADT-KRWDZBQOSA-N 0 3 396.532 -0.528 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC000528641004 1073719214 /nfs/dbraw/zinc/71/92/14/1073719214.db2.gz SAYWJXXFJFXADT-QGZVFWFLSA-N 0 3 396.532 -0.528 20 0 GBADHN Cn1c2ncn(CCN[C@@]3(CO)COc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000528650105 1073720951 /nfs/dbraw/zinc/72/09/51/1073720951.db2.gz JQAWXVJUWRUSIA-IBGZPJMESA-N 0 3 385.424 -0.611 20 0 GBADHN Cn1c2ncn(CCN[C@]3(CO)COc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000528650108 1073721151 /nfs/dbraw/zinc/72/11/51/1073721151.db2.gz JQAWXVJUWRUSIA-LJQANCHMSA-N 0 3 385.424 -0.611 20 0 GBADHN O=C(Cn1cnnn1)N1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528711371 1073722094 /nfs/dbraw/zinc/72/20/94/1073722094.db2.gz ZFPWHPYLVYGYGK-UHFFFAOYSA-N 0 3 386.416 -0.469 20 0 GBADHN CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528713621 1073722266 /nfs/dbraw/zinc/72/22/66/1073722266.db2.gz IHZSXLGOKZVOMU-UHFFFAOYSA-N 0 3 397.501 -0.133 20 0 GBADHN NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528717171 1073722369 /nfs/dbraw/zinc/72/23/69/1073722369.db2.gz YTUCAGGYUMRSSR-UHFFFAOYSA-N 0 3 383.474 -0.393 20 0 GBADHN Cn1c2[nH]c(CN3CCC(C)(N4CCOCC4)CC3)nc2c(=O)n(C)c1=O ZINC000528726183 1073722631 /nfs/dbraw/zinc/72/26/31/1073722631.db2.gz AEVMSMQEQVLSSK-UHFFFAOYSA-N 0 3 376.461 -0.353 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528731152 1073721983 /nfs/dbraw/zinc/72/19/83/1073721983.db2.gz QNEMPKKHHHSAQZ-UHFFFAOYSA-N 0 3 395.548 -0.595 20 0 GBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@H]3CC[C@@H](C1)[S@]3=O)c(=O)n2C ZINC000528780660 1073723010 /nfs/dbraw/zinc/72/30/10/1073723010.db2.gz AJOGJHYFBMIDDQ-ZCDIYMNCSA-N 0 3 379.486 -0.191 20 0 GBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@H]3CC[C@@H](C1)[S@@]3=O)c(=O)n2C ZINC000528780663 1073722994 /nfs/dbraw/zinc/72/29/94/1073722994.db2.gz AJOGJHYFBMIDDQ-QFDBLCPBSA-N 0 3 379.486 -0.191 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000528848478 1073724672 /nfs/dbraw/zinc/72/46/72/1073724672.db2.gz ZJUFOENFQLKPPV-GDBMZVCRSA-N 0 3 376.461 -0.307 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000528848479 1073724349 /nfs/dbraw/zinc/72/43/49/1073724349.db2.gz ZJUFOENFQLKPPV-GOEBONIOSA-N 0 3 376.461 -0.307 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000528848480 1073724471 /nfs/dbraw/zinc/72/44/71/1073724471.db2.gz ZJUFOENFQLKPPV-HOCLYGCPSA-N 0 3 376.461 -0.307 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000528848481 1073724165 /nfs/dbraw/zinc/72/41/65/1073724165.db2.gz ZJUFOENFQLKPPV-ZBFHGGJFSA-N 0 3 376.461 -0.307 20 0 GBADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000529282057 1073730106 /nfs/dbraw/zinc/73/01/06/1073730106.db2.gz HWEHEGNRTFVYEX-KRWDZBQOSA-N 0 3 396.536 -0.304 20 0 GBADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000529282058 1073730161 /nfs/dbraw/zinc/73/01/61/1073730161.db2.gz HWEHEGNRTFVYEX-QGZVFWFLSA-N 0 3 396.536 -0.304 20 0 GBADHN C[C@@H]1CN(CCCNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000529288816 1073731545 /nfs/dbraw/zinc/73/15/45/1073731545.db2.gz NJKFPFRSCZBYRT-CALCHBBNSA-N 0 3 396.536 -0.162 20 0 GBADHN C[C@@H]1CN(CCCNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C[C@@H](C)O1 ZINC000529288818 1073731325 /nfs/dbraw/zinc/73/13/25/1073731325.db2.gz NJKFPFRSCZBYRT-IAGOWNOFSA-N 0 3 396.536 -0.162 20 0 GBADHN C[C@H]1CN(CCCNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000529288819 1073732046 /nfs/dbraw/zinc/73/20/46/1073732046.db2.gz NJKFPFRSCZBYRT-IRXDYDNUSA-N 0 3 396.536 -0.162 20 0 GBADHN C[C@@H](CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1)CN1CCOCC1 ZINC000529315043 1073733127 /nfs/dbraw/zinc/73/31/27/1073733127.db2.gz LJSOKDLYOHNMGK-INIZCTEOSA-N 0 3 382.509 -0.693 20 0 GBADHN C[C@H](CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1)CN1CCOCC1 ZINC000529315044 1073732895 /nfs/dbraw/zinc/73/28/95/1073732895.db2.gz LJSOKDLYOHNMGK-MRXNPFEDSA-N 0 3 382.509 -0.693 20 0 GBADHN O=C(NC[C@@H]1COCCN1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000529324117 1073734489 /nfs/dbraw/zinc/73/44/89/1073734489.db2.gz OWYBLMPYCNCSMK-SQNIBIBYSA-N 0 3 387.484 -0.127 20 0 GBADHN CCN1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3COCCN3)CC2)CC1 ZINC000529384589 1073735900 /nfs/dbraw/zinc/73/59/00/1073735900.db2.gz ZFIGSJWBXHFIKV-KRWDZBQOSA-N 0 3 381.521 -0.049 20 0 GBADHN CCN1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3COCCN3)CC2)CC1 ZINC000529384590 1073735926 /nfs/dbraw/zinc/73/59/26/1073735926.db2.gz ZFIGSJWBXHFIKV-QGZVFWFLSA-N 0 3 381.521 -0.049 20 0 GBADHN CN(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC000529410856 530470255 /nfs/dbraw/zinc/47/02/55/530470255.db2.gz SBHZQUFEXNKPQW-STQMWFEESA-N 0 3 379.841 -0.109 20 0 GBADHN CC(C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000529723588 530470263 /nfs/dbraw/zinc/47/02/63/530470263.db2.gz JWPXCAVRGWHYQN-GFCCVEGCSA-N 0 3 394.515 -0.395 20 0 GBADHN CC(C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000529723589 530470182 /nfs/dbraw/zinc/47/01/82/530470182.db2.gz JWPXCAVRGWHYQN-LBPRGKRZSA-N 0 3 394.515 -0.395 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC1=O ZINC000529754779 1073748371 /nfs/dbraw/zinc/74/83/71/1073748371.db2.gz VYULKVVSMFLHNR-BEFAXECRSA-N 0 3 382.505 -0.872 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CC1=O ZINC000529754780 1073747687 /nfs/dbraw/zinc/74/76/87/1073747687.db2.gz VYULKVVSMFLHNR-DNVCBOLYSA-N 0 3 382.505 -0.872 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CC1=O ZINC000529754781 1073748116 /nfs/dbraw/zinc/74/81/16/1073748116.db2.gz VYULKVVSMFLHNR-HNAYVOBHSA-N 0 3 382.505 -0.872 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC1=O ZINC000529754782 1073748180 /nfs/dbraw/zinc/74/81/80/1073748180.db2.gz VYULKVVSMFLHNR-KXBFYZLASA-N 0 3 382.505 -0.872 20 0 GBADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)C3CC3)CC1)C2=O ZINC000530101576 1073760286 /nfs/dbraw/zinc/76/02/86/1073760286.db2.gz IZQZFSCRBVJFDC-UHFFFAOYSA-N 0 3 385.490 -0.930 20 0 GBADHN NC(=O)c1ccc(NC(=O)CCN2CCN(C(=O)N3CCNCC3)CC2)cc1 ZINC000530221991 1073763253 /nfs/dbraw/zinc/76/32/53/1073763253.db2.gz JFJRPPUQTYHKPR-UHFFFAOYSA-N 0 3 388.472 -0.243 20 0 GBADHN CN1CCN(c2ncc(CN3CCN(C(=O)N4CCNCC4)CC3)cn2)CC1 ZINC000530242828 1073764301 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CCN1CCN(CCC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000530576907 1072288489 /nfs/dbraw/zinc/28/84/89/1072288489.db2.gz YVDFBGZKLLBPOU-GOSISDBHSA-N 0 3 395.548 -0.595 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000530576909 1073776091 /nfs/dbraw/zinc/77/60/91/1073776091.db2.gz YVDFBGZKLLBPOU-SFHVURJKSA-N 0 3 395.548 -0.595 20 0 GBADHN CC[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000530755299 1073780542 /nfs/dbraw/zinc/78/05/42/1073780542.db2.gz XIYRZIZCASBLGY-INIZCTEOSA-N 0 3 395.504 -0.427 20 0 GBADHN CC[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000530755300 1073781014 /nfs/dbraw/zinc/78/10/14/1073781014.db2.gz XIYRZIZCASBLGY-MRXNPFEDSA-N 0 3 395.504 -0.427 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000530803455 1073782438 /nfs/dbraw/zinc/78/24/38/1073782438.db2.gz HOXSLUJLXGXVKW-DLBZAZTESA-N 0 3 393.532 -0.448 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000530803464 1073782455 /nfs/dbraw/zinc/78/24/55/1073782455.db2.gz HOXSLUJLXGXVKW-IAGOWNOFSA-N 0 3 393.532 -0.448 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000530803465 1073782296 /nfs/dbraw/zinc/78/22/96/1073782296.db2.gz HOXSLUJLXGXVKW-IRXDYDNUSA-N 0 3 393.532 -0.448 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000530803467 1073782463 /nfs/dbraw/zinc/78/24/63/1073782463.db2.gz HOXSLUJLXGXVKW-SJORKVTESA-N 0 3 393.532 -0.448 20 0 GBADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000530805948 1073783164 /nfs/dbraw/zinc/78/31/64/1073783164.db2.gz AEGCRBKLBPYAAF-CYBMUJFWSA-N 0 3 390.440 -0.014 20 0 GBADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000530805950 1073783579 /nfs/dbraw/zinc/78/35/79/1073783579.db2.gz AEGCRBKLBPYAAF-ZDUSSCGKSA-N 0 3 390.440 -0.014 20 0 GBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000530806190 1073783385 /nfs/dbraw/zinc/78/33/85/1073783385.db2.gz 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CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000530815282 1073783465 /nfs/dbraw/zinc/78/34/65/1073783465.db2.gz PPUCKKQVTZZABL-HNNXBMFYSA-N 0 3 380.489 -0.125 20 0 GBADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000530815283 1073783550 /nfs/dbraw/zinc/78/35/50/1073783550.db2.gz PPUCKKQVTZZABL-OAHLLOKOSA-N 0 3 380.489 -0.125 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CS(=O)(=O)N(CC)CC)CC1 ZINC000530816577 530079627 /nfs/dbraw/zinc/07/96/27/530079627.db2.gz FZMHQCHKXULFFI-UHFFFAOYSA-N 0 3 376.523 -0.329 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000530816846 1073783364 /nfs/dbraw/zinc/78/33/64/1073783364.db2.gz ADMWNIHHOWEZDG-UHFFFAOYSA-N 0 3 399.517 -0.324 20 0 GBADHN CCN1CCN(CCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000530819282 1073783332 /nfs/dbraw/zinc/78/33/32/1073783332.db2.gz DMGUEYLZGBBGNC-INIZCTEOSA-N 0 3 390.550 -0.381 20 0 GBADHN CCN1CCN(CCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000530819283 1073783615 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20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000530916699 530081343 /nfs/dbraw/zinc/08/13/43/530081343.db2.gz PWRLOHNIIKWBFB-HNNXBMFYSA-N 0 3 375.539 -0.263 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000530916716 530081452 /nfs/dbraw/zinc/08/14/52/530081452.db2.gz PWRLOHNIIKWBFB-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000531034793 530102122 /nfs/dbraw/zinc/10/21/22/530102122.db2.gz XZIVENVORIPXLG-BXUZGUMPSA-N 0 3 375.520 -0.360 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000531034794 530102150 /nfs/dbraw/zinc/10/21/50/530102150.db2.gz XZIVENVORIPXLG-FZMZJTMJSA-N 0 3 375.520 -0.360 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000531034795 530102068 /nfs/dbraw/zinc/10/20/68/530102068.db2.gz XZIVENVORIPXLG-RISCZKNCSA-N 0 3 375.520 -0.360 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000531034796 530101935 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20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000531251591 530160894 /nfs/dbraw/zinc/16/08/94/530160894.db2.gz SYOYKHDXHWSXKA-CQSZACIVSA-N 0 3 380.536 -0.631 20 0 GBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000531283862 1073800637 /nfs/dbraw/zinc/80/06/37/1073800637.db2.gz SKPKWHWCHYZXKW-GFCCVEGCSA-N 0 3 375.429 -0.702 20 0 GBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000531283863 1073801008 /nfs/dbraw/zinc/80/10/08/1073801008.db2.gz SKPKWHWCHYZXKW-LBPRGKRZSA-N 0 3 375.429 -0.702 20 0 GBADHN CC(=O)N[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C(N)=O ZINC000531289809 1073800267 /nfs/dbraw/zinc/80/02/67/1073800267.db2.gz JFTAEXYHRIAPEI-KRWDZBQOSA-N 0 3 375.473 -0.570 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CCC[C@H](C)C1 ZINC000531290320 530163910 /nfs/dbraw/zinc/16/39/10/530163910.db2.gz XWJSTKFQKVWXCU-AWEZNQCLSA-N 0 3 376.523 -0.331 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000531290321 530163964 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CCOCCS(=O)(=O)NCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000531821783 530205630 /nfs/dbraw/zinc/20/56/30/530205630.db2.gz VBNRAUJPCVAPKI-UHFFFAOYSA-N 0 3 377.507 -0.487 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000531837420 1073820604 /nfs/dbraw/zinc/82/06/04/1073820604.db2.gz SVRZSULRQQRPKM-HNNXBMFYSA-N 0 3 398.533 -0.675 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000531837421 1073820584 /nfs/dbraw/zinc/82/05/84/1073820584.db2.gz SVRZSULRQQRPKM-OAHLLOKOSA-N 0 3 398.533 -0.675 20 0 GBADHN COCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000531843086 1073820645 /nfs/dbraw/zinc/82/06/45/1073820645.db2.gz PQHNSHUQAMLMJP-HNNXBMFYSA-N 0 3 383.470 -0.168 20 0 GBADHN COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000531843087 1073820684 /nfs/dbraw/zinc/82/06/84/1073820684.db2.gz PQHNSHUQAMLMJP-OAHLLOKOSA-N 0 3 383.470 -0.168 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000531886882 1073821997 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20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000531987194 1073824259 /nfs/dbraw/zinc/82/42/59/1073824259.db2.gz NPQHHTKGLXJCGI-INIZCTEOSA-N 0 3 394.497 -0.359 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000531987195 1073824964 /nfs/dbraw/zinc/82/49/64/1073824964.db2.gz NPQHHTKGLXJCGI-MRXNPFEDSA-N 0 3 394.497 -0.359 20 0 GBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000531987693 1073825299 /nfs/dbraw/zinc/82/52/99/1073825299.db2.gz ZLDPQIFWWYMOPR-HNNXBMFYSA-N 0 3 397.501 -0.356 20 0 GBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000531987693 1073825292 /nfs/dbraw/zinc/82/52/92/1073825292.db2.gz ZLDPQIFWWYMOPR-HNNXBMFYSA-N 0 3 397.501 -0.356 20 0 GBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000531987693 1073825280 /nfs/dbraw/zinc/82/52/80/1073825280.db2.gz ZLDPQIFWWYMOPR-HNNXBMFYSA-N 0 3 397.501 -0.356 20 0 GBADHN 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ZINC000532093725 1073827921 /nfs/dbraw/zinc/82/79/21/1073827921.db2.gz YTHRQKBUKNXGNR-OAHLLOKOSA-N 0 3 399.517 -0.155 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cn1 ZINC000532149126 1073830062 /nfs/dbraw/zinc/83/00/62/1073830062.db2.gz DLCSZARLELIBQW-CYBMUJFWSA-N 0 3 380.449 -0.815 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cn1 ZINC000532149136 1073830290 /nfs/dbraw/zinc/83/02/90/1073830290.db2.gz DLCSZARLELIBQW-ZDUSSCGKSA-N 0 3 380.449 -0.815 20 0 GBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000532152329 1073831169 /nfs/dbraw/zinc/83/11/69/1073831169.db2.gz DJUBXBGWQYJZRF-DJIMGWMZSA-N 0 3 382.505 -0.023 20 0 GBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000532152334 1073831451 /nfs/dbraw/zinc/83/14/51/1073831451.db2.gz DJUBXBGWQYJZRF-OIISXLGYSA-N 0 3 382.505 -0.023 20 0 GBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000532152335 1073831892 /nfs/dbraw/zinc/83/18/92/1073831892.db2.gz DJUBXBGWQYJZRF-UAGQMJEPSA-N 0 3 382.505 -0.023 20 0 GBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000532152338 1073831056 /nfs/dbraw/zinc/83/10/56/1073831056.db2.gz DJUBXBGWQYJZRF-USXIJHARSA-N 0 3 382.505 -0.023 20 0 GBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000532153134 1073830979 /nfs/dbraw/zinc/83/09/79/1073830979.db2.gz YFCPYHIPMXIGIT-AWEZNQCLSA-N 0 3 392.460 -0.862 20 0 GBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000532153135 1073830867 /nfs/dbraw/zinc/83/08/67/1073830867.db2.gz YFCPYHIPMXIGIT-CQSZACIVSA-N 0 3 392.460 -0.862 20 0 GBADHN CC(C(=O)NCCS(=O)(=O)NC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000532197570 530287937 /nfs/dbraw/zinc/28/79/37/530287937.db2.gz UHEOGQXSKFHETG-LLVKDONJSA-N 0 3 384.520 -0.197 20 0 GBADHN CC(C(=O)NCCS(=O)(=O)NC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000532197571 530288131 /nfs/dbraw/zinc/28/81/31/530288131.db2.gz UHEOGQXSKFHETG-NSHDSACASA-N 0 3 384.520 -0.197 20 0 GBADHN COCC(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000532253741 1073834132 /nfs/dbraw/zinc/83/41/32/1073834132.db2.gz QUAQOAKBOPRRMR-INIZCTEOSA-N 0 3 395.504 -0.428 20 0 GBADHN COCC(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000532253743 1073833632 /nfs/dbraw/zinc/83/36/32/1073833632.db2.gz QUAQOAKBOPRRMR-MRXNPFEDSA-N 0 3 395.504 -0.428 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(S(=O)(=O)CCCS(C)(=O)=O)C2)CC1 ZINC000532347635 530297711 /nfs/dbraw/zinc/29/77/11/530297711.db2.gz XBJMKNDEWATVFL-HNNXBMFYSA-N 0 3 381.564 -0.149 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)CCCS(C)(=O)=O)C2)CC1 ZINC000532347636 530297502 /nfs/dbraw/zinc/29/75/02/530297502.db2.gz XBJMKNDEWATVFL-OAHLLOKOSA-N 0 3 381.564 -0.149 20 0 GBADHN CN1CCN(c2ccncc2NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000532352495 1073838107 /nfs/dbraw/zinc/83/81/07/1073838107.db2.gz JLGIXTTVAFFRIH-UHFFFAOYSA-N 0 3 396.517 -0.651 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cn1 ZINC000532400411 1073892341 /nfs/dbraw/zinc/89/23/41/1073892341.db2.gz JQLWRQWINKZWEM-HNNXBMFYSA-N 0 3 392.460 -0.719 20 0 GBADHN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cn1 ZINC000532400412 1073892443 /nfs/dbraw/zinc/89/24/43/1073892443.db2.gz JQLWRQWINKZWEM-OAHLLOKOSA-N 0 3 392.460 -0.719 20 0 GBADHN CC(C)N(CCCNC(=O)CN1CCCC[C@H]1CC(N)=O)S(C)(=O)=O ZINC000532410260 530297781 /nfs/dbraw/zinc/29/77/81/530297781.db2.gz WVKWBJNYDFJQIW-AWEZNQCLSA-N 0 3 376.523 -0.107 20 0 GBADHN CC(C)N(CCCNC(=O)CN1CCCC[C@@H]1CC(N)=O)S(C)(=O)=O ZINC000532410263 530297549 /nfs/dbraw/zinc/29/75/49/530297549.db2.gz WVKWBJNYDFJQIW-CQSZACIVSA-N 0 3 376.523 -0.107 20 0 GBADHN COC(=O)c1nc2nc(C)cc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2n1 ZINC000532498171 1073928561 /nfs/dbraw/zinc/92/85/61/1073928561.db2.gz RIZCUMNFKLUNGQ-CYBMUJFWSA-N 0 3 387.444 -0.038 20 0 GBADHN COC(=O)c1nc2nc(C)cc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2n1 ZINC000532498173 1073928692 /nfs/dbraw/zinc/92/86/92/1073928692.db2.gz RIZCUMNFKLUNGQ-ZDUSSCGKSA-N 0 3 387.444 -0.038 20 0 GBADHN CC(=O)N1CCC(NC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000532540583 1073929203 /nfs/dbraw/zinc/92/92/03/1073929203.db2.gz URKMUNXUDHOFJI-UHFFFAOYSA-N 0 3 379.505 -0.647 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000532553011 1073929473 /nfs/dbraw/zinc/92/94/73/1073929473.db2.gz MUWCGMZGHFIATO-HNNXBMFYSA-N 0 3 389.460 -0.846 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000532553012 1073929050 /nfs/dbraw/zinc/92/90/50/1073929050.db2.gz MUWCGMZGHFIATO-OAHLLOKOSA-N 0 3 389.460 -0.846 20 0 GBADHN CN1CCN(CCCCNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000532564731 1073930278 /nfs/dbraw/zinc/93/02/78/1073930278.db2.gz COKSQUKKMIMJDF-UHFFFAOYSA-N 0 3 398.533 -0.313 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCN(CCCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583852 530297841 /nfs/dbraw/zinc/29/78/41/530297841.db2.gz ZMBZQVUIYMJMEN-GASCZTMLSA-N 0 3 396.579 -0.596 20 0 GBADHN CS(=O)(=O)N[C@H]1CCN(CCCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583868 530298171 /nfs/dbraw/zinc/29/81/71/530298171.db2.gz ZMBZQVUIYMJMEN-GJZGRUSLSA-N 0 3 396.579 -0.596 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCN(CCCCCN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000532583870 530298041 /nfs/dbraw/zinc/29/80/41/530298041.db2.gz ZMBZQVUIYMJMEN-HUUCEWRRSA-N 0 3 396.579 -0.596 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)N1CCCC1 ZINC000532598799 1073933270 /nfs/dbraw/zinc/93/32/70/1073933270.db2.gz ZDRSGQSAQCXOGE-HNNXBMFYSA-N 0 3 378.477 -0.246 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)N1CCCC1 ZINC000532598800 1073933217 /nfs/dbraw/zinc/93/32/17/1073933217.db2.gz ZDRSGQSAQCXOGE-OAHLLOKOSA-N 0 3 378.477 -0.246 20 0 GBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000532608166 1073934986 /nfs/dbraw/zinc/93/49/86/1073934986.db2.gz QNIPWKDNRCZGCA-HNNXBMFYSA-N 0 3 378.477 -0.388 20 0 GBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000532608178 1073934705 /nfs/dbraw/zinc/93/47/05/1073934705.db2.gz QNIPWKDNRCZGCA-OAHLLOKOSA-N 0 3 378.477 -0.388 20 0 GBADHN COCCn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000532670119 1073948018 /nfs/dbraw/zinc/94/80/18/1073948018.db2.gz ZEZXFWXIPZZXKS-UHFFFAOYSA-N 0 3 385.490 -0.542 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCN(CC[C@H](C)N2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757934 530204268 /nfs/dbraw/zinc/20/42/68/530204268.db2.gz LNKRPJWRXWKSDN-BFHYXJOUSA-N 0 3 382.552 -0.988 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCN(CC[C@@H](C)N2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757935 530204297 /nfs/dbraw/zinc/20/42/97/530204297.db2.gz LNKRPJWRXWKSDN-MCIONIFRSA-N 0 3 382.552 -0.988 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCN(CC[C@@H](C)N2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757936 530204558 /nfs/dbraw/zinc/20/45/58/530204558.db2.gz LNKRPJWRXWKSDN-MGPQQGTHSA-N 0 3 382.552 -0.988 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCN(CC[C@H](C)N2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757937 530204412 /nfs/dbraw/zinc/20/44/12/530204412.db2.gz LNKRPJWRXWKSDN-MJBXVCDLSA-N 0 3 382.552 -0.988 20 0 GBADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532767205 530298562 /nfs/dbraw/zinc/29/85/62/530298562.db2.gz JJWDOFXCQGBJCZ-UHFFFAOYSA-N 0 3 391.515 -0.152 20 0 GBADHN NS(=O)(=O)c1ccc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)cc1 ZINC000532774009 530298620 /nfs/dbraw/zinc/29/86/20/530298620.db2.gz IKMRXRVEWGNQIU-CYBMUJFWSA-N 0 3 391.515 -0.151 20 0 GBADHN NS(=O)(=O)c1ccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)cc1 ZINC000532774010 530298593 /nfs/dbraw/zinc/29/85/93/530298593.db2.gz IKMRXRVEWGNQIU-ZDUSSCGKSA-N 0 3 391.515 -0.151 20 0 GBADHN CN(C)CCN1CCC(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000532797044 530298773 /nfs/dbraw/zinc/29/87/73/530298773.db2.gz NWWMUHCCMMRVGP-OAHLLOKOSA-N 0 3 375.539 -0.264 20 0 GBADHN CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000532798955 530299050 /nfs/dbraw/zinc/29/90/50/530299050.db2.gz QEOUIARKMIGEKB-CABCVRRESA-N 0 3 376.523 -0.198 20 0 GBADHN CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000532798956 530298897 /nfs/dbraw/zinc/29/88/97/530298897.db2.gz QEOUIARKMIGEKB-HUUCEWRRSA-N 0 3 376.523 -0.198 20 0 GBADHN CCN1CCN(CCCCNC(=O)N2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000533068890 530359359 /nfs/dbraw/zinc/35/93/59/530359359.db2.gz GHWNOYZDPODSMQ-HNNXBMFYSA-N 0 3 375.539 -0.263 20 0 GBADHN CCN1CCN(CCCCNC(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000533068891 530359234 /nfs/dbraw/zinc/35/92/34/530359234.db2.gz GHWNOYZDPODSMQ-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN CN1CCN(CCCCNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000533114911 530360255 /nfs/dbraw/zinc/36/02/55/530360255.db2.gz XTTRPFDNXCVYLL-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@@H](CN1CCC[C@@H]1CS(N)(=O)=O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000533392925 530074507 /nfs/dbraw/zinc/07/45/07/530074507.db2.gz DNQLMADIBAKCAK-BTTYYORXSA-N 0 3 382.552 -0.872 20 0 GBADHN CC(CN1CCC[C@H]1CS(N)(=O)=O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000533392928 530074897 /nfs/dbraw/zinc/07/48/97/530074897.db2.gz DNQLMADIBAKCAK-KBPBESRZSA-N 0 3 382.552 -0.872 20 0 GBADHN CC(CN1CCC[C@@H]1CS(N)(=O)=O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000533392929 530074922 /nfs/dbraw/zinc/07/49/22/530074922.db2.gz DNQLMADIBAKCAK-ZIAGYGMSSA-N 0 3 382.552 -0.872 20 0 GBADHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000533442987 530075232 /nfs/dbraw/zinc/07/52/32/530075232.db2.gz ZNKKTZAPUBWSTF-HNNXBMFYSA-N 0 3 396.579 -0.234 20 0 GBADHN CC(C)CN1CCC[C@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000533442988 530075449 /nfs/dbraw/zinc/07/54/49/530075449.db2.gz ZNKKTZAPUBWSTF-OAHLLOKOSA-N 0 3 396.579 -0.234 20 0 GBADHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000533497205 530075794 /nfs/dbraw/zinc/07/57/94/530075794.db2.gz ZCTGGAFUFHKCMG-HNNXBMFYSA-N 0 3 396.579 -0.092 20 0 GBADHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000533497207 530075870 /nfs/dbraw/zinc/07/58/70/530075870.db2.gz ZCTGGAFUFHKCMG-OAHLLOKOSA-N 0 3 396.579 -0.092 20 0 GBADHN CC[C@H]1CN(CCCS(N)(=O)=O)[C@@H](CC)CN1CCCS(N)(=O)=O ZINC000533531963 530077010 /nfs/dbraw/zinc/07/70/10/530077010.db2.gz PDZRFVXZGFCQLQ-KBPBESRZSA-N 0 3 384.568 -0.482 20 0 GBADHN CC[C@@H]1CN(CCCS(N)(=O)=O)[C@@H](CC)CN1CCCS(N)(=O)=O ZINC000533531970 530077189 /nfs/dbraw/zinc/07/71/89/530077189.db2.gz PDZRFVXZGFCQLQ-OKILXGFUSA-N 0 3 384.568 -0.482 20 0 GBADHN CC[C@@H]1CN(CCCS(N)(=O)=O)[C@H](CC)CN1CCCS(N)(=O)=O ZINC000533531971 530077047 /nfs/dbraw/zinc/07/70/47/530077047.db2.gz PDZRFVXZGFCQLQ-ZIAGYGMSSA-N 0 3 384.568 -0.482 20 0 GBADHN CC[C@@H]1CN(CCN2C(=O)CNC2=O)[C@H](CC)CN1CCN1C(=O)CNC1=O ZINC000533533262 1072246410 /nfs/dbraw/zinc/24/64/10/1072246410.db2.gz WCMJDFNJXKWRHI-ZIAGYGMSSA-N 0 3 394.476 -0.735 20 0 GBADHN CN(C)CCN(CCN(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000533591388 530078097 /nfs/dbraw/zinc/07/80/97/530078097.db2.gz NMEYSHOTEJTQIJ-UHFFFAOYSA-N 0 3 377.555 -0.207 20 0 GBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1=O ZINC000533593007 1072270682 /nfs/dbraw/zinc/27/06/82/1072270682.db2.gz GAZJIIPKGPXXBK-ZDUSSCGKSA-N 0 3 378.429 -0.050 20 0 GBADHN CCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000534146734 530205510 /nfs/dbraw/zinc/20/55/10/530205510.db2.gz KPCVPYMMMSUVLS-UHFFFAOYSA-N 0 3 376.523 -0.378 20 0 GBADHN CCS(=O)(=O)N1CCC(NC(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000534601658 530268813 /nfs/dbraw/zinc/26/88/13/530268813.db2.gz PVIKKEQCIFVUHR-UHFFFAOYSA-N 0 3 377.555 -0.065 20 0 GBADHN CN(C)CCOc1cc(CNS(=O)(=O)CCCS(C)(=O)=O)ccn1 ZINC000534978788 530269179 /nfs/dbraw/zinc/26/91/79/530269179.db2.gz MUKZTNOOTGGGSV-UHFFFAOYSA-N 0 3 379.504 -0.124 20 0 GBADHN CC(C)C[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)NCCN(C)C ZINC000535501744 530273046 /nfs/dbraw/zinc/27/30/46/530273046.db2.gz WUFZETQMUCQLBK-AWEZNQCLSA-N 0 3 376.523 -0.379 20 0 GBADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000535667570 1072250778 /nfs/dbraw/zinc/25/07/78/1072250778.db2.gz HKSBWSGERSPKBA-UHFFFAOYSA-N 0 3 383.518 -0.158 20 0 GBADHN CS(=O)(=O)N[C@H]1CCN(CCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724254 530285301 /nfs/dbraw/zinc/28/53/01/530285301.db2.gz HXNRQXFIWAWASN-KBPBESRZSA-N 0 3 382.552 -0.986 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCN(CCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285094 /nfs/dbraw/zinc/28/50/94/530285094.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 0 3 382.552 -0.986 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCN(CCCCN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000535724268 530285325 /nfs/dbraw/zinc/28/53/25/530285325.db2.gz HXNRQXFIWAWASN-ZIAGYGMSSA-N 0 3 382.552 -0.986 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000535727971 1072257432 /nfs/dbraw/zinc/25/74/32/1072257432.db2.gz ZSHFCVMSUURSBI-CVEARBPZSA-N 0 3 379.505 -0.791 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000535727972 1072257609 /nfs/dbraw/zinc/25/76/09/1072257609.db2.gz ZSHFCVMSUURSBI-HOTGVXAUSA-N 0 3 379.505 -0.791 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000535727973 1072257531 /nfs/dbraw/zinc/25/75/31/1072257531.db2.gz ZSHFCVMSUURSBI-HZPDHXFCSA-N 0 3 379.505 -0.791 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000535727974 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20 0 GBADHN CS[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1N(C)C ZINC000537924218 530470845 /nfs/dbraw/zinc/47/08/45/530470845.db2.gz WXGKWXYKVBBWCL-STQMWFEESA-N 0 3 394.563 -0.676 20 0 GBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000539955448 530474627 /nfs/dbraw/zinc/47/46/27/530474627.db2.gz RHLKUCYDQACOAY-HNNXBMFYSA-N 0 3 375.539 -0.263 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000539955453 530474320 /nfs/dbraw/zinc/47/43/20/530474320.db2.gz RHLKUCYDQACOAY-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@H]1CN(C(=O)NC2CCN(CCN(C)C)CC2)CCN1S(C)(=O)=O ZINC000540675172 530475264 /nfs/dbraw/zinc/47/52/64/530475264.db2.gz FXDLXDWHGSGODV-AWEZNQCLSA-N 0 3 375.539 -0.312 20 0 GBADHN CC1(C)CN(S(=O)(=O)NCCCCN2CCN(CCO)CC2)CCO1 ZINC000540737014 530475388 /nfs/dbraw/zinc/47/53/88/530475388.db2.gz HNLPELDPIPBEIO-UHFFFAOYSA-N 0 3 378.539 -0.678 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000540917525 530475493 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375.491 -0.575 20 0 GBADHN CC(C)C[C@H](NC(=O)N[C@H]1CCCS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000542758647 530478043 /nfs/dbraw/zinc/47/80/43/530478043.db2.gz FVJUFKHAVWBPIU-KBPBESRZSA-N 0 3 376.523 -0.045 20 0 GBADHN CC(C)C[C@H](NC(=O)N[C@@H]1CCCS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000542758648 530478077 /nfs/dbraw/zinc/47/80/77/530478077.db2.gz FVJUFKHAVWBPIU-KGLIPLIRSA-N 0 3 376.523 -0.045 20 0 GBADHN COC(=O)CN1CCC(NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000543097671 530478451 /nfs/dbraw/zinc/47/84/51/530478451.db2.gz UDJUMSILLWFAGM-HNNXBMFYSA-N 0 3 377.507 -0.298 20 0 GBADHN COC(=O)CN1CCC(NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000543097672 530478443 /nfs/dbraw/zinc/47/84/43/530478443.db2.gz UDJUMSILLWFAGM-OAHLLOKOSA-N 0 3 377.507 -0.298 20 0 GBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCOCCN(C)C ZINC000543388156 530478646 /nfs/dbraw/zinc/47/86/46/530478646.db2.gz QWVALENQXMJXFZ-GFCCVEGCSA-N 0 3 375.495 -0.602 20 0 GBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCOCCN(C)C ZINC000543388157 530478778 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ZINC000544397325 530479777 /nfs/dbraw/zinc/47/97/77/530479777.db2.gz DHDLKNOLNIVENY-KBPBESRZSA-N 0 3 382.552 -0.872 20 0 GBADHN CC(CN1CCC[C@@H](S(N)(=O)=O)C1)CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544397326 530479695 /nfs/dbraw/zinc/47/96/95/530479695.db2.gz DHDLKNOLNIVENY-ZIAGYGMSSA-N 0 3 382.552 -0.872 20 0 GBADHN C[C@H](CN1CCC[C@@H](S(N)(=O)=O)C1)CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397327 530479730 /nfs/dbraw/zinc/47/97/30/530479730.db2.gz DHDLKNOLNIVENY-ZSOGYDGISA-N 0 3 382.552 -0.872 20 0 GBADHN NS(=O)(=O)[C@H]1CCCN(CCCCN2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398778 530479557 /nfs/dbraw/zinc/47/95/57/530479557.db2.gz GVOCQBRJZPVCFJ-KBPBESRZSA-N 0 3 382.552 -0.728 20 0 GBADHN NS(=O)(=O)[C@@H]1CCCN(CCCCN2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398781 530479790 /nfs/dbraw/zinc/47/97/90/530479790.db2.gz GVOCQBRJZPVCFJ-OKILXGFUSA-N 0 3 382.552 -0.728 20 0 GBADHN NS(=O)(=O)[C@@H]1CCCN(CCCCN2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000544398782 530479488 /nfs/dbraw/zinc/47/94/88/530479488.db2.gz GVOCQBRJZPVCFJ-ZIAGYGMSSA-N 0 3 382.552 -0.728 20 0 GBADHN CN(CCCNC(=O)CN[C@@H](CC(N)=O)C1CCCCC1)S(C)(=O)=O ZINC000544453428 530479581 /nfs/dbraw/zinc/47/95/81/530479581.db2.gz AISNPGBXYSSGGC-AWEZNQCLSA-N 0 3 376.523 -0.202 20 0 GBADHN CN(CCCNC(=O)CN[C@H](CC(N)=O)C1CCCCC1)S(C)(=O)=O ZINC000544453429 530479680 /nfs/dbraw/zinc/47/96/80/530479680.db2.gz AISNPGBXYSSGGC-CQSZACIVSA-N 0 3 376.523 -0.202 20 0 GBADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000544657711 530479839 /nfs/dbraw/zinc/47/98/39/530479839.db2.gz ZUKWMPHQMKSZTK-CYBMUJFWSA-N 0 3 382.552 -0.530 20 0 GBADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000544657712 530479880 /nfs/dbraw/zinc/47/98/80/530479880.db2.gz ZUKWMPHQMKSZTK-ZDUSSCGKSA-N 0 3 382.552 -0.530 20 0 GBADHN CCS(=O)(=O)N1CCC(CNC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000544689315 530480132 /nfs/dbraw/zinc/48/01/32/530480132.db2.gz HAMJFOMHUIZQBV-UHFFFAOYSA-N 0 3 376.523 -0.196 20 0 GBADHN COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)CCN1CCCC1 ZINC000544709723 530479846 /nfs/dbraw/zinc/47/98/46/530479846.db2.gz IBDQRXQHAKAHAB-UHFFFAOYSA-N 0 3 376.523 -0.866 20 0 GBADHN CN1CC[C@](O)(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000545153568 530480031 /nfs/dbraw/zinc/48/00/31/530480031.db2.gz NSWVSXVTVAPBOE-HNNXBMFYSA-N 0 3 389.499 -0.435 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000545153569 530480151 /nfs/dbraw/zinc/48/01/51/530480151.db2.gz NSWVSXVTVAPBOE-OAHLLOKOSA-N 0 3 389.499 -0.435 20 0 GBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000545167168 530480532 /nfs/dbraw/zinc/48/05/32/530480532.db2.gz QYWGZPPBBNSVNN-HNNXBMFYSA-N 0 3 389.861 -0.135 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000545167169 530480502 /nfs/dbraw/zinc/48/05/02/530480502.db2.gz QYWGZPPBBNSVNN-OAHLLOKOSA-N 0 3 389.861 -0.135 20 0 GBADHN CN1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000545862031 530480762 /nfs/dbraw/zinc/48/07/62/530480762.db2.gz JPJFIDRHEFPHDN-HNNXBMFYSA-N 0 3 377.413 -0.184 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000545862037 530480838 /nfs/dbraw/zinc/48/08/38/530480838.db2.gz JPJFIDRHEFPHDN-OAHLLOKOSA-N 0 3 377.413 -0.184 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 ZINC000545864305 1072179819 /nfs/dbraw/zinc/17/98/19/1072179819.db2.gz UXGJNEPFPGIYSB-GOSISDBHSA-N 0 3 381.498 -0.287 20 0 GBADHN CN1CC[C@](O)(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 ZINC000545864307 1072179780 /nfs/dbraw/zinc/17/97/80/1072179780.db2.gz UXGJNEPFPGIYSB-SFHVURJKSA-N 0 3 381.498 -0.287 20 0 GBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1 ZINC000546570031 530481377 /nfs/dbraw/zinc/48/13/77/530481377.db2.gz QTWHJDUXWKNDEW-HNNXBMFYSA-N 0 3 389.861 -0.135 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1 ZINC000546570035 530481186 /nfs/dbraw/zinc/48/11/86/530481186.db2.gz QTWHJDUXWKNDEW-OAHLLOKOSA-N 0 3 389.861 -0.135 20 0 GBADHN CCN(CCO)CCNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000546689250 1073925359 /nfs/dbraw/zinc/92/53/59/1073925359.db2.gz VOYHAGBMLNXWCP-HNNXBMFYSA-N 0 3 379.413 -0.616 20 0 GBADHN CCN(CCO)CCNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 ZINC000546689251 1073924775 /nfs/dbraw/zinc/92/47/75/1073924775.db2.gz VOYHAGBMLNXWCP-OAHLLOKOSA-N 0 3 379.413 -0.616 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000546733474 530481224 /nfs/dbraw/zinc/48/12/24/530481224.db2.gz QIUZUJZQVOAPOX-HUUCEWRRSA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000546733475 530481137 /nfs/dbraw/zinc/48/11/37/530481137.db2.gz QIUZUJZQVOAPOX-LSDHHAIUSA-N 0 3 375.539 -0.264 20 0 GBADHN CN1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000547274842 530481692 /nfs/dbraw/zinc/48/16/92/530481692.db2.gz DOWQOIFRPLSOTJ-HNNXBMFYSA-N 0 3 388.515 -0.451 20 0 GBADHN C[N@H+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[n-]2)C1 ZINC000547274842 530481690 /nfs/dbraw/zinc/48/16/90/530481690.db2.gz DOWQOIFRPLSOTJ-HNNXBMFYSA-N 0 3 388.515 -0.451 20 0 GBADHN C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[n-]2)C1 ZINC000547274842 530481687 /nfs/dbraw/zinc/48/16/87/530481687.db2.gz DOWQOIFRPLSOTJ-HNNXBMFYSA-N 0 3 388.515 -0.451 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000547274843 530481627 /nfs/dbraw/zinc/48/16/27/530481627.db2.gz DOWQOIFRPLSOTJ-OAHLLOKOSA-N 0 3 388.515 -0.451 20 0 GBADHN C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[n-]2)C1 ZINC000547274843 530481625 /nfs/dbraw/zinc/48/16/25/530481625.db2.gz DOWQOIFRPLSOTJ-OAHLLOKOSA-N 0 3 388.515 -0.451 20 0 GBADHN C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[n-]2)C1 ZINC000547274843 530481624 /nfs/dbraw/zinc/48/16/24/530481624.db2.gz DOWQOIFRPLSOTJ-OAHLLOKOSA-N 0 3 388.515 -0.451 20 0 GBADHN CN1CC[C@](O)(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000547276715 530481753 /nfs/dbraw/zinc/48/17/53/530481753.db2.gz MRVIDCUMIFLUNR-HNNXBMFYSA-N 0 3 389.499 -0.435 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000547276717 530481602 /nfs/dbraw/zinc/48/16/02/530481602.db2.gz MRVIDCUMIFLUNR-OAHLLOKOSA-N 0 3 389.499 -0.435 20 0 GBADHN CN(CCNC(=O)NC[C@@]1(O)CCN(C)C1)S(=O)(=O)c1cccs1 ZINC000547297970 530481706 /nfs/dbraw/zinc/48/17/06/530481706.db2.gz KVVRGPNFGXCALI-AWEZNQCLSA-N 0 3 376.504 -0.266 20 0 GBADHN CN(CCNC(=O)NC[C@]1(O)CCN(C)C1)S(=O)(=O)c1cccs1 ZINC000547297971 530481571 /nfs/dbraw/zinc/48/15/71/530481571.db2.gz KVVRGPNFGXCALI-CQSZACIVSA-N 0 3 376.504 -0.266 20 0 GBADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)CCCN1CCOCC1 ZINC000547716059 530482801 /nfs/dbraw/zinc/48/28/01/530482801.db2.gz DXOHMXOTYCUCEB-UHFFFAOYSA-N 0 3 376.567 -0.004 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000547784544 1072257675 /nfs/dbraw/zinc/25/76/75/1072257675.db2.gz UNBCLQBANGQOIH-CYBMUJFWSA-N 0 3 390.488 -0.669 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000547784545 1072257639 /nfs/dbraw/zinc/25/76/39/1072257639.db2.gz UNBCLQBANGQOIH-ZDUSSCGKSA-N 0 3 390.488 -0.669 20 0 GBADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1C ZINC000547802421 1072270075 /nfs/dbraw/zinc/27/00/75/1072270075.db2.gz KVJDDTBFHQEOOO-UHFFFAOYSA-N 0 3 378.433 -0.866 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000547949977 530483766 /nfs/dbraw/zinc/48/37/66/530483766.db2.gz BBZXPNXJMGQWCM-KBPBESRZSA-N 0 3 379.548 -0.020 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000547949978 530483870 /nfs/dbraw/zinc/48/38/70/530483870.db2.gz BBZXPNXJMGQWCM-KGLIPLIRSA-N 0 3 379.548 -0.020 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000547949979 530483981 /nfs/dbraw/zinc/48/39/81/530483981.db2.gz BBZXPNXJMGQWCM-UONOGXRCSA-N 0 3 379.548 -0.020 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000547949980 530484044 /nfs/dbraw/zinc/48/40/44/530484044.db2.gz BBZXPNXJMGQWCM-ZIAGYGMSSA-N 0 3 379.548 -0.020 20 0 GBADHN Cc1nc(N2CCN(C[C@H](C)O)CC2)cc(N2CCN(C[C@H](C)O)CC2)n1 ZINC000547961658 1072323936 /nfs/dbraw/zinc/32/39/36/1072323936.db2.gz NWUYXANDELKOMA-HOTGVXAUSA-N 0 3 378.521 -0.209 20 0 GBADHN COCCN(CCOC)S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000548044480 530484032 /nfs/dbraw/zinc/48/40/32/530484032.db2.gz WJYIHQGWRZCZAB-UHFFFAOYSA-N 0 3 380.555 -0.216 20 0 GBADHN COc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1C ZINC000548128773 1072482995 /nfs/dbraw/zinc/48/29/95/1072482995.db2.gz ZXCNMSXKAPYTPR-GFCCVEGCSA-N 0 3 380.449 -0.574 20 0 GBADHN COc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1C ZINC000548128774 1072482962 /nfs/dbraw/zinc/48/29/62/1072482962.db2.gz ZXCNMSXKAPYTPR-LBPRGKRZSA-N 0 3 380.449 -0.574 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(OC)n(C)n2)CC1 ZINC000548130887 1072483947 /nfs/dbraw/zinc/48/39/47/1072483947.db2.gz FZCQPEHOLQXLFD-UHFFFAOYSA-N 0 3 380.449 -0.620 20 0 GBADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C ZINC000548136840 1072502137 /nfs/dbraw/zinc/50/21/37/1072502137.db2.gz QJLNBMDDIHKGCY-GFCCVEGCSA-N 0 3 378.433 -0.868 20 0 GBADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1C ZINC000548136841 1072502658 /nfs/dbraw/zinc/50/26/58/1072502658.db2.gz QJLNBMDDIHKGCY-LBPRGKRZSA-N 0 3 378.433 -0.868 20 0 GBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000548277161 1072182396 /nfs/dbraw/zinc/18/23/96/1072182396.db2.gz BLEMEDCQUXPLRY-BRWVUGGUSA-N 0 3 398.504 -0.245 20 0 GBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000548277162 1072182378 /nfs/dbraw/zinc/18/23/78/1072182378.db2.gz BLEMEDCQUXPLRY-GVDBMIGSSA-N 0 3 398.504 -0.245 20 0 GBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000548277163 1072182285 /nfs/dbraw/zinc/18/22/85/1072182285.db2.gz BLEMEDCQUXPLRY-IXDOHACOSA-N 0 3 398.504 -0.245 20 0 GBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000548277164 1072182347 /nfs/dbraw/zinc/18/23/47/1072182347.db2.gz BLEMEDCQUXPLRY-YESZJQIVSA-N 0 3 398.504 -0.245 20 0 GBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000548404407 1072223519 /nfs/dbraw/zinc/22/35/19/1072223519.db2.gz FLPPFMDFQYNQOA-GFCCVEGCSA-N 0 3 376.461 -0.330 20 0 GBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000548404408 1072223280 /nfs/dbraw/zinc/22/32/80/1072223280.db2.gz FLPPFMDFQYNQOA-LBPRGKRZSA-N 0 3 376.461 -0.330 20 0 GBADHN CN(C)CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 ZINC000548456199 1072242523 /nfs/dbraw/zinc/24/25/23/1072242523.db2.gz VZNAUGYVEDCKSO-UHFFFAOYSA-N 0 3 394.497 -0.027 20 0 GBADHN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681598 1072313308 /nfs/dbraw/zinc/31/33/08/1072313308.db2.gz VVFQYIFYWGLBQE-BRWVUGGUSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681598 1072313300 /nfs/dbraw/zinc/31/33/00/1072313300.db2.gz VVFQYIFYWGLBQE-BRWVUGGUSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681599 1072313572 /nfs/dbraw/zinc/31/35/72/1072313572.db2.gz VVFQYIFYWGLBQE-GVDBMIGSSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681599 1072313569 /nfs/dbraw/zinc/31/35/69/1072313569.db2.gz VVFQYIFYWGLBQE-GVDBMIGSSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681600 1072313852 /nfs/dbraw/zinc/31/38/52/1072313852.db2.gz VVFQYIFYWGLBQE-IXDOHACOSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681600 1072313849 /nfs/dbraw/zinc/31/38/49/1072313849.db2.gz VVFQYIFYWGLBQE-IXDOHACOSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681601 1072313760 /nfs/dbraw/zinc/31/37/60/1072313760.db2.gz VVFQYIFYWGLBQE-YESZJQIVSA-N 0 3 376.457 -0.118 20 0 GBADHN C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1O ZINC000548681601 1072313757 /nfs/dbraw/zinc/31/37/57/1072313757.db2.gz VVFQYIFYWGLBQE-YESZJQIVSA-N 0 3 376.457 -0.118 20 0 GBADHN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000548716128 1072329624 /nfs/dbraw/zinc/32/96/24/1072329624.db2.gz SHBNMKZMAQQERO-IBGZPJMESA-N 0 3 376.457 -0.634 20 0 GBADHN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000548716130 1072329880 /nfs/dbraw/zinc/32/98/80/1072329880.db2.gz SHBNMKZMAQQERO-LJQANCHMSA-N 0 3 376.457 -0.634 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000548719604 1072332422 /nfs/dbraw/zinc/33/24/22/1072332422.db2.gz UEJPWTVZSJXUBZ-BEFAXECRSA-N 0 3 376.457 -0.636 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548719605 1072332592 /nfs/dbraw/zinc/33/25/92/1072332592.db2.gz UEJPWTVZSJXUBZ-DNVCBOLYSA-N 0 3 376.457 -0.636 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548719606 1072332379 /nfs/dbraw/zinc/33/23/79/1072332379.db2.gz UEJPWTVZSJXUBZ-HNAYVOBHSA-N 0 3 376.457 -0.636 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000548719607 1072332503 /nfs/dbraw/zinc/33/25/03/1072332503.db2.gz UEJPWTVZSJXUBZ-KXBFYZLASA-N 0 3 376.457 -0.636 20 0 GBADHN CCC(=O)N1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000548790241 1072444186 /nfs/dbraw/zinc/44/41/86/1072444186.db2.gz MQQNKDLZFZBWJK-UHFFFAOYSA-N 0 3 381.521 -0.401 20 0 GBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000548813088 1072509619 /nfs/dbraw/zinc/50/96/19/1072509619.db2.gz QGIPEUILNBSKIX-CYBMUJFWSA-N 0 3 389.456 -0.441 20 0 GBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000548813089 1072509517 /nfs/dbraw/zinc/50/95/17/1072509517.db2.gz QGIPEUILNBSKIX-ZDUSSCGKSA-N 0 3 389.456 -0.441 20 0 GBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000548889744 1072717883 /nfs/dbraw/zinc/71/78/83/1072717883.db2.gz BAVMHCUVQHFICI-CYBMUJFWSA-N 0 3 389.456 -0.299 20 0 GBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000548889746 1072717727 /nfs/dbraw/zinc/71/77/27/1072717727.db2.gz BAVMHCUVQHFICI-ZDUSSCGKSA-N 0 3 389.456 -0.299 20 0 GBADHN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000548914724 530486086 /nfs/dbraw/zinc/48/60/86/530486086.db2.gz PIROFBGOEOQQBF-KBPBESRZSA-N 0 3 376.523 -0.250 20 0 GBADHN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000548914725 530486430 /nfs/dbraw/zinc/48/64/30/530486430.db2.gz PIROFBGOEOQQBF-KGLIPLIRSA-N 0 3 376.523 -0.250 20 0 GBADHN CCCNC(=O)C[C@H](C(N)=O)N(CCC)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000548914726 530486474 /nfs/dbraw/zinc/48/64/74/530486474.db2.gz PIROFBGOEOQQBF-UONOGXRCSA-N 0 3 376.523 -0.250 20 0 GBADHN CCCNC(=O)C[C@H](C(N)=O)N(CCC)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000548914727 530486662 /nfs/dbraw/zinc/48/66/62/530486662.db2.gz PIROFBGOEOQQBF-ZIAGYGMSSA-N 0 3 376.523 -0.250 20 0 GBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000548925511 1072813672 /nfs/dbraw/zinc/81/36/72/1072813672.db2.gz XWTPAUWKQRHFLO-GOSISDBHSA-N 0 3 395.548 -0.737 20 0 GBADHN CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000548942299 530486442 /nfs/dbraw/zinc/48/64/42/530486442.db2.gz UPPKBLXCRCMYPZ-CABCVRRESA-N 0 3 377.555 -0.161 20 0 GBADHN CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000548942300 530486735 /nfs/dbraw/zinc/48/67/35/530486735.db2.gz UPPKBLXCRCMYPZ-GJZGRUSLSA-N 0 3 377.555 -0.161 20 0 GBADHN CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000548942301 530486525 /nfs/dbraw/zinc/48/65/25/530486525.db2.gz UPPKBLXCRCMYPZ-HUUCEWRRSA-N 0 3 377.555 -0.161 20 0 GBADHN CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000548942302 530486587 /nfs/dbraw/zinc/48/65/87/530486587.db2.gz UPPKBLXCRCMYPZ-LSDHHAIUSA-N 0 3 377.555 -0.161 20 0 GBADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCOCCN(C)C ZINC000548958224 530486578 /nfs/dbraw/zinc/48/65/78/530486578.db2.gz ZHPCLMRSGVMRGY-UHFFFAOYSA-N 0 3 380.488 -0.045 20 0 GBADHN CCCN(CC(O)CN(CCC)[C@H]1CC(=O)N(C)C1=O)[C@H]1CC(=O)N(C)C1=O ZINC000549144658 1073136741 /nfs/dbraw/zinc/13/67/41/1073136741.db2.gz GPSZUCISUXRQTP-GJZGRUSLSA-N 0 3 396.488 -0.714 20 0 GBADHN CCCN(CC(O)CN(CCC)[C@@H]1CC(=O)N(C)C1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000549144659 1073136527 /nfs/dbraw/zinc/13/65/27/1073136527.db2.gz GPSZUCISUXRQTP-HUUCEWRRSA-N 0 3 396.488 -0.714 20 0 GBADHN CCCN(C[C@H](O)CN(CCC)[C@H]1CC(=O)N(C)C1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000549144660 1073137011 /nfs/dbraw/zinc/13/70/11/1073137011.db2.gz GPSZUCISUXRQTP-QDMKHBRRSA-N 0 3 396.488 -0.714 20 0 GBADHN COc1cc(CNC[C@H](O)CN2CCOCC2)ccc1OCC(=O)N(C)C ZINC000549190497 1073148372 /nfs/dbraw/zinc/14/83/72/1073148372.db2.gz INZVVNOMMUXCFY-INIZCTEOSA-N 0 3 381.473 -0.055 20 0 GBADHN COc1cc(CNC[C@@H](O)CN2CCOCC2)ccc1OCC(=O)N(C)C ZINC000549190501 1073147947 /nfs/dbraw/zinc/14/79/47/1073147947.db2.gz INZVVNOMMUXCFY-MRXNPFEDSA-N 0 3 381.473 -0.055 20 0 GBADHN CNc1nc(NCCc2nccnc2C)nc(NCCc2nccnc2C)n1 ZINC000549222241 1073152026 /nfs/dbraw/zinc/15/20/26/1073152026.db2.gz UWHKIAHXHYSXKP-UHFFFAOYSA-N 0 3 380.460 -0.315 20 0 GBADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000549424496 530486889 /nfs/dbraw/zinc/48/68/89/530486889.db2.gz ISMNVJZPAWJAHZ-JTQLQIEISA-N 0 3 391.471 -0.055 20 0 GBADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000549424497 530487030 /nfs/dbraw/zinc/48/70/30/530487030.db2.gz ISMNVJZPAWJAHZ-SNVBAGLBSA-N 0 3 391.471 -0.055 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000549469676 1073306595 /nfs/dbraw/zinc/30/65/95/1073306595.db2.gz VQFYMKGPNDPITC-DLBZAZTESA-N 0 3 381.521 -0.171 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000549469677 1073306321 /nfs/dbraw/zinc/30/63/21/1073306321.db2.gz VQFYMKGPNDPITC-IAGOWNOFSA-N 0 3 381.521 -0.171 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549469678 1073306510 /nfs/dbraw/zinc/30/65/10/1073306510.db2.gz VQFYMKGPNDPITC-IRXDYDNUSA-N 0 3 381.521 -0.171 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549469679 1073306444 /nfs/dbraw/zinc/30/64/44/1073306444.db2.gz VQFYMKGPNDPITC-SJORKVTESA-N 0 3 381.521 -0.171 20 0 GBADHN Cc1noc(C)c1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000549790962 1073827474 /nfs/dbraw/zinc/82/74/74/1073827474.db2.gz LBLYAIHYAZSZQQ-HNNXBMFYSA-N 0 3 379.461 -0.033 20 0 GBADHN Cc1noc(C)c1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000549790964 1073827694 /nfs/dbraw/zinc/82/76/94/1073827694.db2.gz LBLYAIHYAZSZQQ-OAHLLOKOSA-N 0 3 379.461 -0.033 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)Cc1cnn(C)c1 ZINC000549797766 1073827862 /nfs/dbraw/zinc/82/78/62/1073827862.db2.gz DODKZYNOSIVTOP-HNNXBMFYSA-N 0 3 378.477 -0.563 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)Cc1cnn(C)c1 ZINC000549797767 1073828281 /nfs/dbraw/zinc/82/82/81/1073828281.db2.gz DODKZYNOSIVTOP-OAHLLOKOSA-N 0 3 378.477 -0.563 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CC2 ZINC000549824020 1073832485 /nfs/dbraw/zinc/83/24/85/1073832485.db2.gz MAJMURGQSGYIKB-MCIONIFRSA-N 0 3 376.461 -0.449 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CC2 ZINC000549824024 1073831298 /nfs/dbraw/zinc/83/12/98/1073831298.db2.gz MAJMURGQSGYIKB-MJBXVCDLSA-N 0 3 376.461 -0.449 20 0 GBADHN CNS(=O)(=O)NCC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000549854641 1073833493 /nfs/dbraw/zinc/83/34/93/1073833493.db2.gz VQITVPNTYITSEO-UHFFFAOYSA-N 0 3 383.518 -0.241 20 0 GBADHN CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCOCC1)N1CCN(C)CC1 ZINC000549882576 1073890376 /nfs/dbraw/zinc/89/03/76/1073890376.db2.gz RDTDVCUDPWSDQN-KRWDZBQOSA-N 0 3 383.537 -0.787 20 0 GBADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCOCC1)N1CCN(C)CC1 ZINC000549882579 1073889743 /nfs/dbraw/zinc/88/97/43/1073889743.db2.gz RDTDVCUDPWSDQN-QGZVFWFLSA-N 0 3 383.537 -0.787 20 0 GBADHN O=C(NCCCN1CCOCC1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000549882885 1073893039 /nfs/dbraw/zinc/89/30/39/1073893039.db2.gz JFRSQFUXIVLQBF-UHFFFAOYSA-N 0 3 382.505 -0.604 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCn2ccnc2)CC1 ZINC000549893038 1073912104 /nfs/dbraw/zinc/91/21/04/1073912104.db2.gz GUZZORZNNDXJGS-UHFFFAOYSA-N 0 3 376.461 -0.844 20 0 GBADHN CCN(C(=O)C(C)S(=O)(=O)CCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000549958342 530487497 /nfs/dbraw/zinc/48/74/97/530487497.db2.gz MKCLLRGZISPDOS-NEPJUHHUSA-N 0 3 383.488 -0.222 20 0 GBADHN CCN(C(=O)C(C)S(=O)(=O)CCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000549958345 530487554 /nfs/dbraw/zinc/48/75/54/530487554.db2.gz MKCLLRGZISPDOS-NWDGAFQWSA-N 0 3 383.488 -0.222 20 0 GBADHN CCN(C(=O)C(C)S(=O)(=O)CCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000549958346 530487533 /nfs/dbraw/zinc/48/75/33/530487533.db2.gz MKCLLRGZISPDOS-RYUDHWBXSA-N 0 3 383.488 -0.222 20 0 GBADHN CCN(C(=O)C(C)S(=O)(=O)CCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000549958347 530487419 /nfs/dbraw/zinc/48/74/19/530487419.db2.gz MKCLLRGZISPDOS-VXGBXAGGSA-N 0 3 383.488 -0.222 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000549964499 1072514625 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1072353311 /nfs/dbraw/zinc/35/33/11/1072353311.db2.gz ACIJUXKOQVYSEI-KRWDZBQOSA-N 0 3 395.548 -0.297 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)CC1 ZINC000560035929 1072354390 /nfs/dbraw/zinc/35/43/90/1072354390.db2.gz RTZKVPZCHGNZCR-CVEARBPZSA-N 0 3 382.505 -0.212 20 0 GBADHN CC(C)C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000560037077 530105657 /nfs/dbraw/zinc/10/56/57/530105657.db2.gz LDMQCSDHHICABW-KBPBESRZSA-N 0 3 376.523 -0.093 20 0 GBADHN CC(C)C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000560037081 530105606 /nfs/dbraw/zinc/10/56/06/530105606.db2.gz LDMQCSDHHICABW-KGLIPLIRSA-N 0 3 376.523 -0.093 20 0 GBADHN COCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000560251189 1072369171 /nfs/dbraw/zinc/36/91/71/1072369171.db2.gz KHUODBHDDFEZNJ-MRXNPFEDSA-N 0 3 398.504 -0.691 20 0 GBADHN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NCCN(C)C ZINC000560566591 530107045 /nfs/dbraw/zinc/10/70/45/530107045.db2.gz UWSWYROKUXHHHQ-SECBINFHSA-N 0 3 389.250 -0.046 20 0 GBADHN C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NCCN(C)C ZINC000560566593 530107176 /nfs/dbraw/zinc/10/71/76/530107176.db2.gz UWSWYROKUXHHHQ-VIFPVBQESA-N 0 3 389.250 -0.046 20 0 GBADHN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000560589613 1072396552 /nfs/dbraw/zinc/39/65/52/1072396552.db2.gz KXNMNTFHVIZKFB-HOTGVXAUSA-N 0 3 382.505 -0.070 20 0 GBADHN CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000560589616 1072396726 /nfs/dbraw/zinc/39/67/26/1072396726.db2.gz KXNMNTFHVIZKFB-HZPDHXFCSA-N 0 3 382.505 -0.070 20 0 GBADHN CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000560901302 530107810 /nfs/dbraw/zinc/10/78/10/530107810.db2.gz XINAMDFPVKAUHD-AWEZNQCLSA-N 0 3 376.523 -0.378 20 0 GBADHN CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000560901306 530107866 /nfs/dbraw/zinc/10/78/66/530107866.db2.gz XINAMDFPVKAUHD-CQSZACIVSA-N 0 3 376.523 -0.378 20 0 GBADHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000561032783 530175623 /nfs/dbraw/zinc/17/56/23/530175623.db2.gz CBMRNMZTSGRQMB-BDAKNGLRSA-N 0 3 396.516 -0.222 20 0 GBADHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000561032794 530175743 /nfs/dbraw/zinc/17/57/43/530175743.db2.gz CBMRNMZTSGRQMB-DTWKUNHWSA-N 0 3 396.516 -0.222 20 0 GBADHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000561032796 530175760 /nfs/dbraw/zinc/17/57/60/530175760.db2.gz CBMRNMZTSGRQMB-IUCAKERBSA-N 0 3 396.516 -0.222 20 0 GBADHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000561032798 530175602 /nfs/dbraw/zinc/17/56/02/530175602.db2.gz CBMRNMZTSGRQMB-RKDXNWHRSA-N 0 3 396.516 -0.222 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000561038404 530107723 /nfs/dbraw/zinc/10/77/23/530107723.db2.gz CDVRLIWHANKISZ-YIONKMFJSA-N 0 3 397.563 -0.171 20 0 GBADHN O=C(NCCOc1ccc(I)cc1)C(=O)NC1CNC1 ZINC000561239241 530108611 /nfs/dbraw/zinc/10/86/11/530108611.db2.gz JIDBLISERDKCMW-UHFFFAOYSA-N 0 3 389.193 -0.126 20 0 GBADHN O=C(NCc1ccc(Br)cc1N1CCOCC1)C(=O)NC1CNC1 ZINC000561239360 530108745 /nfs/dbraw/zinc/10/87/45/530108745.db2.gz CIRIQRYGSCFCBP-UHFFFAOYSA-N 0 3 397.273 -0.010 20 0 GBADHN CC[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000561252668 530108679 /nfs/dbraw/zinc/10/86/79/530108679.db2.gz XWZLVZCEUDKJAU-UHFFFAOYSA-N 0 3 396.922 -0.088 20 0 GBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000561459326 530109456 /nfs/dbraw/zinc/10/94/56/530109456.db2.gz QWQAKKULOQYOGD-CYBMUJFWSA-N 0 3 392.547 -0.966 20 0 GBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000561459327 530109664 /nfs/dbraw/zinc/10/96/64/530109664.db2.gz QWQAKKULOQYOGD-ZDUSSCGKSA-N 0 3 392.547 -0.966 20 0 GBADHN CN(CCN1CCCC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459703 530109580 /nfs/dbraw/zinc/10/95/80/530109580.db2.gz WREXFQFEMSNQFE-UHFFFAOYSA-N 0 3 392.547 -0.965 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561460336 530109554 /nfs/dbraw/zinc/10/95/54/530109554.db2.gz WCPFUEOURHXSTN-CYBMUJFWSA-N 0 3 392.547 -0.918 20 0 GBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561460338 530109590 /nfs/dbraw/zinc/10/95/90/530109590.db2.gz WCPFUEOURHXSTN-ZDUSSCGKSA-N 0 3 392.547 -0.918 20 0 GBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000561582285 530110278 /nfs/dbraw/zinc/11/02/78/530110278.db2.gz ILSRQRWLPYRBMH-CYBMUJFWSA-N 0 3 377.511 -0.987 20 0 GBADHN CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000561644879 530110334 /nfs/dbraw/zinc/11/03/34/530110334.db2.gz HHBJQIBRBRCGGT-AWEZNQCLSA-N 0 3 376.523 -0.237 20 0 GBADHN CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000561644880 530110213 /nfs/dbraw/zinc/11/02/13/530110213.db2.gz HHBJQIBRBRCGGT-CQSZACIVSA-N 0 3 376.523 -0.237 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)NCc1ccncc1OCCN(C)C ZINC000561730508 530110715 /nfs/dbraw/zinc/11/07/15/530110715.db2.gz QRSOUUGPZXNKOC-UHFFFAOYSA-N 0 3 394.519 -0.619 20 0 GBADHN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000561946361 530111242 /nfs/dbraw/zinc/11/12/42/530111242.db2.gz HBSTXPRWKNSGKC-CQSZACIVSA-N 0 3 376.523 -0.235 20 0 GBADHN CCCCS(=O)(=O)NCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000562181325 530111888 /nfs/dbraw/zinc/11/18/88/530111888.db2.gz GUDOWTAGTCXGRN-UHFFFAOYSA-N 0 3 376.523 -0.186 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000562548175 530112783 /nfs/dbraw/zinc/11/27/83/530112783.db2.gz NTTRSAXSAWTNJG-BDAKNGLRSA-N 0 3 396.409 -0.176 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000562548178 530112866 /nfs/dbraw/zinc/11/28/66/530112866.db2.gz NTTRSAXSAWTNJG-DTWKUNHWSA-N 0 3 396.409 -0.176 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000562548179 530112631 /nfs/dbraw/zinc/11/26/31/530112631.db2.gz NTTRSAXSAWTNJG-IUCAKERBSA-N 0 3 396.409 -0.176 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000562548181 530112583 /nfs/dbraw/zinc/11/25/83/530112583.db2.gz NTTRSAXSAWTNJG-RKDXNWHRSA-N 0 3 396.409 -0.176 20 0 GBADHN COCCN(C(=O)CN[C@]1(CCOC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562585081 530112641 /nfs/dbraw/zinc/11/26/41/530112641.db2.gz PFJGVEXTPFFMPH-GDBMZVCRSA-N 0 3 378.491 -0.566 20 0 GBADHN COCCN(C(=O)CN[C@]1(CCOC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000562585082 530112702 /nfs/dbraw/zinc/11/27/02/530112702.db2.gz PFJGVEXTPFFMPH-GOEBONIOSA-N 0 3 378.491 -0.566 20 0 GBADHN COCCN(C(=O)CN[C@@]1(CCOC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000562585083 530112729 /nfs/dbraw/zinc/11/27/29/530112729.db2.gz PFJGVEXTPFFMPH-HOCLYGCPSA-N 0 3 378.491 -0.566 20 0 GBADHN COCCN(C(=O)CN[C@@]1(CCOC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562585084 530112761 /nfs/dbraw/zinc/11/27/61/530112761.db2.gz PFJGVEXTPFFMPH-ZBFHGGJFSA-N 0 3 378.491 -0.566 20 0 GBADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H]1CCCCN1CCO ZINC000562745893 530113284 /nfs/dbraw/zinc/11/32/84/530113284.db2.gz SKHAYJFLAVZDMP-JTQLQIEISA-N 0 3 389.250 -0.326 20 0 GBADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1CCCCN1CCO ZINC000562745894 530113007 /nfs/dbraw/zinc/11/30/07/530113007.db2.gz SKHAYJFLAVZDMP-SNVBAGLBSA-N 0 3 389.250 -0.326 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)CC2 ZINC000562836928 1072552911 /nfs/dbraw/zinc/55/29/11/1072552911.db2.gz FMMPZILOXAFGKK-SJCJKPOMSA-N 0 3 396.517 -0.591 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CSCCN3)CC2)cn1C ZINC000562976791 530131052 /nfs/dbraw/zinc/13/10/52/530131052.db2.gz YNPUAAPGIBONNE-CYBMUJFWSA-N 0 3 387.531 -0.343 20 0 GBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CSCCN3)CC2)cn1C ZINC000562976794 530130876 /nfs/dbraw/zinc/13/08/76/530130876.db2.gz YNPUAAPGIBONNE-ZDUSSCGKSA-N 0 3 387.531 -0.343 20 0 GBADHN CN(CCNC[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000563002208 530133514 /nfs/dbraw/zinc/13/35/14/530133514.db2.gz CTIQGXBMCAQZGN-HNNXBMFYSA-N 0 3 375.466 -0.271 20 0 GBADHN CN(CCNC[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000563002209 530133470 /nfs/dbraw/zinc/13/34/70/530133470.db2.gz CTIQGXBMCAQZGN-OAHLLOKOSA-N 0 3 375.466 -0.271 20 0 GBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)s1 ZINC000563065661 530146116 /nfs/dbraw/zinc/14/61/16/530146116.db2.gz AULRTSKKBAVXIE-JTQLQIEISA-N 0 3 384.487 -0.070 20 0 GBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)s1 ZINC000563065668 530146456 /nfs/dbraw/zinc/14/64/56/530146456.db2.gz AULRTSKKBAVXIE-SNVBAGLBSA-N 0 3 384.487 -0.070 20 0 GBADHN COCCN1C(=O)C[C@H](CNC(=O)COC2CNC2)[C@H]1c1cnn(C)c1C ZINC000563099649 1072262829 /nfs/dbraw/zinc/26/28/29/1072262829.db2.gz LHSVKULSNMXHCC-ACJLOTCBSA-N 0 3 379.461 -0.631 20 0 GBADHN CN1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)[C@H](CN)C1 ZINC000563101316 530191793 /nfs/dbraw/zinc/19/17/93/530191793.db2.gz BQOBGASUSRALFU-CYBMUJFWSA-N 0 3 388.515 -0.516 20 0 GBADHN CN1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)[C@@H](CN)C1 ZINC000563101317 530191707 /nfs/dbraw/zinc/19/17/07/530191707.db2.gz BQOBGASUSRALFU-ZDUSSCGKSA-N 0 3 388.515 -0.516 20 0 GBADHN CC(=O)NCCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000563102168 1072262542 /nfs/dbraw/zinc/26/25/42/1072262542.db2.gz MAIUDDPPYGLTFI-UHFFFAOYSA-N 0 3 391.428 -0.311 20 0 GBADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1F ZINC000563129353 530192670 /nfs/dbraw/zinc/19/26/70/530192670.db2.gz QQXPCUNOKIBYMT-LLVKDONJSA-N 0 3 394.494 -0.231 20 0 GBADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1F ZINC000563129354 530192704 /nfs/dbraw/zinc/19/27/04/530192704.db2.gz QQXPCUNOKIBYMT-NSHDSACASA-N 0 3 394.494 -0.231 20 0 GBADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1=O ZINC000563141283 1073598554 /nfs/dbraw/zinc/59/85/54/1073598554.db2.gz HNPZTBGEIJQKIB-KGLIPLIRSA-N 0 3 391.476 -0.584 20 0 GBADHN CCN(CCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)S(C)(=O)=O ZINC000563142422 1072284671 /nfs/dbraw/zinc/28/46/71/1072284671.db2.gz KNAAPBSDUOHYHR-INIZCTEOSA-N 0 3 396.513 -0.141 20 0 GBADHN CCN(CCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)S(C)(=O)=O ZINC000563142429 1073598871 /nfs/dbraw/zinc/59/88/71/1073598871.db2.gz KNAAPBSDUOHYHR-MRXNPFEDSA-N 0 3 396.513 -0.141 20 0 GBADHN CN(C)c1nc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)cc(=O)[n-]1 ZINC000563146662 1073599011 /nfs/dbraw/zinc/59/90/11/1073599011.db2.gz JBJXJZAUEZRPIU-UHFFFAOYSA-N 0 3 380.430 -0.263 20 0 GBADHN O=C([C@@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000563155193 1073603670 /nfs/dbraw/zinc/60/36/70/1073603670.db2.gz YOBYVBZXCRGQIW-QGZVFWFLSA-N 0 3 394.497 -0.405 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCCC[NH2+]C2CC2)s1 ZINC000563163201 530198306 /nfs/dbraw/zinc/19/83/06/530198306.db2.gz DUBOCONRKRIPSK-UHFFFAOYSA-N 0 3 388.515 -0.079 20 0 GBADHN CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000563246789 530202713 /nfs/dbraw/zinc/20/27/13/530202713.db2.gz BVDYBXAGRNNYJR-HNNXBMFYSA-N 0 3 376.523 -0.172 20 0 GBADHN CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000563246794 530202849 /nfs/dbraw/zinc/20/28/49/530202849.db2.gz BVDYBXAGRNNYJR-OAHLLOKOSA-N 0 3 376.523 -0.172 20 0 GBADHN CC[NH+](CC)CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000563392396 530206296 /nfs/dbraw/zinc/20/62/96/530206296.db2.gz KYTBQELNQLBTKI-CYBMUJFWSA-N 0 3 375.495 -0.784 20 0 GBADHN CC[NH+](CC)CC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000563392397 530206312 /nfs/dbraw/zinc/20/63/12/530206312.db2.gz KYTBQELNQLBTKI-ZDUSSCGKSA-N 0 3 375.495 -0.784 20 0 GBADHN COCCn1cc(N2C[C@H](C(=O)NC[C@@]3(O)CN4CCC3CC4)CC2=O)cn1 ZINC000563396199 1072368642 /nfs/dbraw/zinc/36/86/42/1072368642.db2.gz GKQKVVURSADUQV-AUUYWEPGSA-N 0 3 391.472 -0.545 20 0 GBADHN COCCn1cc(N2C[C@@H](C(=O)NC[C@@]3(O)CN4CCC3CC4)CC2=O)cn1 ZINC000563396211 1072368756 /nfs/dbraw/zinc/36/87/56/1072368756.db2.gz GKQKVVURSADUQV-IFXJQAMLSA-N 0 3 391.472 -0.545 20 0 GBADHN COCCn1cc(N2C[C@H](C(=O)NC[C@]3(O)CN4CCC3CC4)CC2=O)cn1 ZINC000563396213 1072368408 /nfs/dbraw/zinc/36/84/08/1072368408.db2.gz GKQKVVURSADUQV-KUHUBIRLSA-N 0 3 391.472 -0.545 20 0 GBADHN COCCn1cc(N2C[C@@H](C(=O)NC[C@]3(O)CN4CCC3CC4)CC2=O)cn1 ZINC000563396215 1072368528 /nfs/dbraw/zinc/36/85/28/1072368528.db2.gz GKQKVVURSADUQV-LIRRHRJNSA-N 0 3 391.472 -0.545 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000563437224 530207201 /nfs/dbraw/zinc/20/72/01/530207201.db2.gz WJHKKWUJOHSBBZ-AWEZNQCLSA-N 0 3 382.552 -0.482 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000563437225 530207354 /nfs/dbraw/zinc/20/73/54/530207354.db2.gz WJHKKWUJOHSBBZ-CQSZACIVSA-N 0 3 382.552 -0.482 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000563438237 1072387398 /nfs/dbraw/zinc/38/73/98/1072387398.db2.gz CGDYOUBYWHLXDH-DZGCQCFKSA-N 0 3 380.470 -0.566 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000563438243 1072387516 /nfs/dbraw/zinc/38/75/16/1072387516.db2.gz CGDYOUBYWHLXDH-HIFRSBDPSA-N 0 3 380.470 -0.566 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000563438245 1072387277 /nfs/dbraw/zinc/38/72/77/1072387277.db2.gz CGDYOUBYWHLXDH-UKRRQHHQSA-N 0 3 380.470 -0.566 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000563438247 1072387356 /nfs/dbraw/zinc/38/73/56/1072387356.db2.gz CGDYOUBYWHLXDH-ZFWWWQNUSA-N 0 3 380.470 -0.566 20 0 GBADHN CCn1c2nnc(CN3CCN4C(=O)[C@H](N)C[C@H]4C3)n2c2ccccc2c1=O ZINC000563439469 1072388290 /nfs/dbraw/zinc/38/82/90/1072388290.db2.gz GLLLGTMCLOHTSC-GXTWGEPZSA-N 0 3 381.440 -0.192 20 0 GBADHN CCn1c2nnc(CN3CCN4C(=O)[C@@H](N)C[C@H]4C3)n2c2ccccc2c1=O ZINC000563439470 1072388326 /nfs/dbraw/zinc/38/83/26/1072388326.db2.gz GLLLGTMCLOHTSC-JSGCOSHPSA-N 0 3 381.440 -0.192 20 0 GBADHN CCn1c2nnc(CN3CCN4C(=O)[C@@H](N)C[C@@H]4C3)n2c2ccccc2c1=O ZINC000563439471 1072388567 /nfs/dbraw/zinc/38/85/67/1072388567.db2.gz GLLLGTMCLOHTSC-OCCSQVGLSA-N 0 3 381.440 -0.192 20 0 GBADHN CCn1c2nnc(CN3CCN4C(=O)[C@H](N)C[C@@H]4C3)n2c2ccccc2c1=O ZINC000563439472 1072388367 /nfs/dbraw/zinc/38/83/67/1072388367.db2.gz GLLLGTMCLOHTSC-TZMCWYRMSA-N 0 3 381.440 -0.192 20 0 GBADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563440641 1072388008 /nfs/dbraw/zinc/38/80/08/1072388008.db2.gz IQCDEENYFQXTHG-ARFHVFGLSA-N 0 3 388.468 -0.081 20 0 GBADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563440642 1072388547 /nfs/dbraw/zinc/38/85/47/1072388547.db2.gz IQCDEENYFQXTHG-BZUAXINKSA-N 0 3 388.468 -0.081 20 0 GBADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563440643 1072388303 /nfs/dbraw/zinc/38/83/03/1072388303.db2.gz IQCDEENYFQXTHG-OAGGEKHMSA-N 0 3 388.468 -0.081 20 0 GBADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563440644 1072388487 /nfs/dbraw/zinc/38/84/87/1072388487.db2.gz IQCDEENYFQXTHG-XHSDSOJGSA-N 0 3 388.468 -0.081 20 0 GBADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C ZINC000563440671 1072388114 /nfs/dbraw/zinc/38/81/14/1072388114.db2.gz JFJFWKBHVMYIJE-GDBMZVCRSA-N 0 3 394.497 -0.306 20 0 GBADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C ZINC000563440672 1072388052 /nfs/dbraw/zinc/38/80/52/1072388052.db2.gz JFJFWKBHVMYIJE-GOEBONIOSA-N 0 3 394.497 -0.306 20 0 GBADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C ZINC000563440673 1072388316 /nfs/dbraw/zinc/38/83/16/1072388316.db2.gz JFJFWKBHVMYIJE-HOCLYGCPSA-N 0 3 394.497 -0.306 20 0 GBADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C ZINC000563440674 1072388068 /nfs/dbraw/zinc/38/80/68/1072388068.db2.gz JFJFWKBHVMYIJE-ZBFHGGJFSA-N 0 3 394.497 -0.306 20 0 GBADHN C[C@@H]1Cc2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc2N1S(C)(=O)=O ZINC000563442552 1072389186 /nfs/dbraw/zinc/38/91/86/1072389186.db2.gz RJIGEDTWUWFRLQ-BYCMXARLSA-N 0 3 392.481 -0.219 20 0 GBADHN C[C@@H]1Cc2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc2N1S(C)(=O)=O ZINC000563442553 1072389430 /nfs/dbraw/zinc/38/94/30/1072389430.db2.gz RJIGEDTWUWFRLQ-DFBGVHRSSA-N 0 3 392.481 -0.219 20 0 GBADHN C[C@@H]1Cc2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2N1S(C)(=O)=O ZINC000563442554 1072389397 /nfs/dbraw/zinc/38/93/97/1072389397.db2.gz RJIGEDTWUWFRLQ-KCPJHIHWSA-N 0 3 392.481 -0.219 20 0 GBADHN C[C@@H]1Cc2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc2N1S(C)(=O)=O ZINC000563442555 1072389172 /nfs/dbraw/zinc/38/91/72/1072389172.db2.gz RJIGEDTWUWFRLQ-UGFHNGPFSA-N 0 3 392.481 -0.219 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCNC[C@H]2c2ccccc2)CC1 ZINC000563445453 530207357 /nfs/dbraw/zinc/20/73/57/530207357.db2.gz FWKTWJDHEJYBRI-HNNXBMFYSA-N 0 3 388.515 -0.545 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCNC[C@@H]2c2ccccc2)CC1 ZINC000563445454 530207214 /nfs/dbraw/zinc/20/72/14/530207214.db2.gz FWKTWJDHEJYBRI-OAHLLOKOSA-N 0 3 388.515 -0.545 20 0 GBADHN Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1=O ZINC000563448864 530207247 /nfs/dbraw/zinc/20/72/47/530207247.db2.gz PYMPDCOFGBELHV-NXEZZACHSA-N 0 3 384.234 -0.077 20 0 GBADHN Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1=O ZINC000563448865 530207241 /nfs/dbraw/zinc/20/72/41/530207241.db2.gz PYMPDCOFGBELHV-UWVGGRQHSA-N 0 3 384.234 -0.077 20 0 GBADHN Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1=O ZINC000563448866 530207395 /nfs/dbraw/zinc/20/73/95/530207395.db2.gz PYMPDCOFGBELHV-VHSXEESVSA-N 0 3 384.234 -0.077 20 0 GBADHN Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1=O ZINC000563448867 530207367 /nfs/dbraw/zinc/20/73/67/530207367.db2.gz PYMPDCOFGBELHV-ZJUUUORDSA-N 0 3 384.234 -0.077 20 0 GBADHN CN(CCC[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000563548827 530207626 /nfs/dbraw/zinc/20/76/26/530207626.db2.gz OGHDBOKEVMUQCU-UHFFFAOYSA-N 0 3 394.856 -0.319 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)CCN2C1=O ZINC000563548870 1072428952 /nfs/dbraw/zinc/42/89/52/1072428952.db2.gz AQGGMBWENHELIY-CVEARBPZSA-N 0 3 377.514 -0.364 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)CCN2C1=O ZINC000563548871 1072429139 /nfs/dbraw/zinc/42/91/39/1072429139.db2.gz AQGGMBWENHELIY-HOTGVXAUSA-N 0 3 377.514 -0.364 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)CCN2C1=O ZINC000563548872 1072429235 /nfs/dbraw/zinc/42/92/35/1072429235.db2.gz AQGGMBWENHELIY-HZPDHXFCSA-N 0 3 377.514 -0.364 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)CCN2C1=O ZINC000563548873 1072429027 /nfs/dbraw/zinc/42/90/27/1072429027.db2.gz AQGGMBWENHELIY-JKSUJKDBSA-N 0 3 377.514 -0.364 20 0 GBADHN CN(CCNC(=O)N1CCN(C)C[C@H]1CN)S(=O)(=O)c1cccs1 ZINC000563586041 530208237 /nfs/dbraw/zinc/20/82/37/530208237.db2.gz YYAANKYRFAPIGI-GFCCVEGCSA-N 0 3 375.520 -0.347 20 0 GBADHN CN(CCNC(=O)N1CCN(C)C[C@@H]1CN)S(=O)(=O)c1cccs1 ZINC000563586042 530208194 /nfs/dbraw/zinc/20/81/94/530208194.db2.gz YYAANKYRFAPIGI-LBPRGKRZSA-N 0 3 375.520 -0.347 20 0 GBADHN O=C(NC1CNC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000563645380 530207988 /nfs/dbraw/zinc/20/79/88/530207988.db2.gz SOWQCWPBFYGWGF-UHFFFAOYSA-N 0 3 386.861 -0.739 20 0 GBADHN CN1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000563798044 530281857 /nfs/dbraw/zinc/28/18/57/530281857.db2.gz LDFLGKOPBNOIOH-JTQLQIEISA-N 0 3 395.938 -0.036 20 0 GBADHN CN1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000563798050 530281943 /nfs/dbraw/zinc/28/19/43/530281943.db2.gz LDFLGKOPBNOIOH-SNVBAGLBSA-N 0 3 395.938 -0.036 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)C[C@H](C)O1 ZINC000563831618 530282266 /nfs/dbraw/zinc/28/22/66/530282266.db2.gz GPUHJZFWQFVDTP-GASCZTMLSA-N 0 3 376.523 -0.078 20 0 GBADHN C[C@H]1CN(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)C[C@H](C)O1 ZINC000563831619 530282316 /nfs/dbraw/zinc/28/23/16/530282316.db2.gz GPUHJZFWQFVDTP-GJZGRUSLSA-N 0 3 376.523 -0.078 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)C[C@@H](C)O1 ZINC000563831620 530282393 /nfs/dbraw/zinc/28/23/93/530282393.db2.gz GPUHJZFWQFVDTP-HUUCEWRRSA-N 0 3 376.523 -0.078 20 0 GBADHN CN(C)CCn1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)n1 ZINC000564350677 530485074 /nfs/dbraw/zinc/48/50/74/530485074.db2.gz OCEZJXYOSILIIN-UHFFFAOYSA-N 0 3 375.520 -0.447 20 0 GBADHN CNS(=O)(=O)C1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000564452261 1072604510 /nfs/dbraw/zinc/60/45/10/1072604510.db2.gz DHOKTWYLMXKCTH-INIZCTEOSA-N 0 3 394.497 -0.389 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(F)c(F)c3)CCN2C1=O ZINC000564472101 1072303981 /nfs/dbraw/zinc/30/39/81/1072303981.db2.gz WPOKZWMBDYIIIQ-HZMBPMFUSA-N 0 3 382.367 -0.770 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(F)c(F)c3)CCN2C1=O ZINC000564472103 1072304426 /nfs/dbraw/zinc/30/44/26/1072304426.db2.gz WPOKZWMBDYIIIQ-IINYFYTJSA-N 0 3 382.367 -0.770 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(F)c(F)c3)CCN2C1=O ZINC000564472185 1072304260 /nfs/dbraw/zinc/30/42/60/1072304260.db2.gz WPOKZWMBDYIIIQ-YGRLFVJLSA-N 0 3 382.367 -0.770 20 0 GBADHN CN(C)c1cccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000564489294 1072364954 /nfs/dbraw/zinc/36/49/54/1072364954.db2.gz WRPOVNDDYYUKET-UHFFFAOYSA-N 0 3 376.505 -0.140 20 0 GBADHN O=C(NC1CNC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000564554784 530207598 /nfs/dbraw/zinc/20/75/98/530207598.db2.gz VJIVEZLWOWZCQN-UHFFFAOYSA-N 0 3 386.861 -0.739 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)CCN2C1=O ZINC000564584139 530172402 /nfs/dbraw/zinc/17/24/02/530172402.db2.gz FRFXQPIWBCQMKL-NXEZZACHSA-N 0 3 394.233 0.268 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)CCN2C1=O ZINC000564584161 530172645 /nfs/dbraw/zinc/17/26/45/530172645.db2.gz FRFXQPIWBCQMKL-UWVGGRQHSA-N 0 3 394.233 0.268 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)CCN2C1=O ZINC000564584163 530172917 /nfs/dbraw/zinc/17/29/17/530172917.db2.gz FRFXQPIWBCQMKL-VHSXEESVSA-N 0 3 394.233 0.268 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)CCN2C1=O ZINC000564584164 530172965 /nfs/dbraw/zinc/17/29/65/530172965.db2.gz FRFXQPIWBCQMKL-ZJUUUORDSA-N 0 3 394.233 0.268 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)N(C)C ZINC000564592366 530495533 /nfs/dbraw/zinc/49/55/33/530495533.db2.gz RISQPCBPMCLQSM-CYBMUJFWSA-N 0 3 377.511 -0.880 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)N(C)C ZINC000564592380 530495837 /nfs/dbraw/zinc/49/58/37/530495837.db2.gz RISQPCBPMCLQSM-ZDUSSCGKSA-N 0 3 377.511 -0.880 20 0 GBADHN CSC1(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC[NH+](C)CC1 ZINC000564597974 530495812 /nfs/dbraw/zinc/49/58/12/530495812.db2.gz OTQKZELIDRZTAC-UHFFFAOYSA-N 0 3 375.520 -0.358 20 0 GBADHN CNS(=O)(=O)c1ccc(CNC(=O)NCC2(O)CCN(C)CC2)s1 ZINC000564617332 530495823 /nfs/dbraw/zinc/49/58/23/530495823.db2.gz KLDFGWQNNLJGII-UHFFFAOYSA-N 0 3 376.504 -0.088 20 0 GBADHN Cc1c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cnn1-c1ccccn1 ZINC000564668328 1072336597 /nfs/dbraw/zinc/33/65/97/1072336597.db2.gz RTLOPZMPJLIRGF-CHWSQXEVSA-N 0 3 376.442 -0.492 20 0 GBADHN Cc1c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cnn1-c1ccccn1 ZINC000564668332 1072337148 /nfs/dbraw/zinc/33/71/48/1072337148.db2.gz RTLOPZMPJLIRGF-OLZOCXBDSA-N 0 3 376.442 -0.492 20 0 GBADHN Cc1c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cnn1-c1ccccn1 ZINC000564668333 1072337212 /nfs/dbraw/zinc/33/72/12/1072337212.db2.gz RTLOPZMPJLIRGF-QWHCGFSZSA-N 0 3 376.442 -0.492 20 0 GBADHN Cc1c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cnn1-c1ccccn1 ZINC000564668334 1072336914 /nfs/dbraw/zinc/33/69/14/1072336914.db2.gz RTLOPZMPJLIRGF-STQMWFEESA-N 0 3 376.442 -0.492 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000564711306 1072452391 /nfs/dbraw/zinc/45/23/91/1072452391.db2.gz VOIDKOXRGGKPCJ-UHFFFAOYSA-N 0 3 395.548 -0.012 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 ZINC000564732780 530495494 /nfs/dbraw/zinc/49/54/94/530495494.db2.gz WTTPDHKXVUMNKE-UHFFFAOYSA-N 0 3 376.523 -0.152 20 0 GBADHN C[C@H]1CC[C@@H](N(CCO)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000564760764 1072564240 /nfs/dbraw/zinc/56/42/40/1072564240.db2.gz QRSWZPDECPRPQW-ZWKOTPCHSA-N 0 3 396.532 -0.528 20 0 GBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](CN)OC)CC2)c1 ZINC000564891854 1072589250 /nfs/dbraw/zinc/58/92/50/1072589250.db2.gz LJNZYIAJVIVQAG-AWEZNQCLSA-N 0 3 387.458 -0.490 20 0 GBADHN O=C(CCOC1CNC1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000564915525 530094805 /nfs/dbraw/zinc/09/48/05/530094805.db2.gz SGYQYOVHUXZLSJ-UHFFFAOYSA-N 0 3 389.499 -0.236 20 0 GBADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000564992463 530495847 /nfs/dbraw/zinc/49/58/47/530495847.db2.gz MBPMUZRROWJFHK-HNNXBMFYSA-N 0 3 376.523 -0.348 20 0 GBADHN C[C@@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)NCCN(C)C ZINC000565204369 530496181 /nfs/dbraw/zinc/49/61/81/530496181.db2.gz LGIRNPIVMRCMTD-MRVPVSSYSA-N 0 3 383.400 -0.490 20 0 GBADHN C[C@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)NCCN(C)C ZINC000565204393 530496055 /nfs/dbraw/zinc/49/60/55/530496055.db2.gz LGIRNPIVMRCMTD-QMMMGPOBSA-N 0 3 383.400 -0.490 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3OCC(F)F)CCN2C1=O ZINC000565248967 1073211422 /nfs/dbraw/zinc/21/14/22/1073211422.db2.gz FGJNGTSUVXFFIK-NXEZZACHSA-N 0 3 383.355 -0.566 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccnc3OCC(F)F)CCN2C1=O ZINC000565248981 1073211410 /nfs/dbraw/zinc/21/14/10/1073211410.db2.gz FGJNGTSUVXFFIK-UWVGGRQHSA-N 0 3 383.355 -0.566 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccnc3OCC(F)F)CCN2C1=O ZINC000565248983 1073211062 /nfs/dbraw/zinc/21/10/62/1073211062.db2.gz FGJNGTSUVXFFIK-VHSXEESVSA-N 0 3 383.355 -0.566 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3OCC(F)F)CCN2C1=O ZINC000565248984 1073211623 /nfs/dbraw/zinc/21/16/23/1073211623.db2.gz FGJNGTSUVXFFIK-ZJUUUORDSA-N 0 3 383.355 -0.566 20 0 GBADHN CN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@H](CN)C1 ZINC000565367610 530198414 /nfs/dbraw/zinc/19/84/14/530198414.db2.gz MXDXMMRDPNFKSS-LLVKDONJSA-N 0 3 391.291 -0.189 20 0 GBADHN CN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@@H](CN)C1 ZINC000565367621 530198707 /nfs/dbraw/zinc/19/87/07/530198707.db2.gz MXDXMMRDPNFKSS-NSHDSACASA-N 0 3 391.291 -0.189 20 0 GBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCn1cncn1 ZINC000565475446 530496795 /nfs/dbraw/zinc/49/67/95/530496795.db2.gz ACSAHRQFYMKWAR-UHFFFAOYSA-N 0 3 387.487 -0.408 20 0 GBADHN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000565491141 530496749 /nfs/dbraw/zinc/49/67/49/530496749.db2.gz MQVHUECZZFJLSR-GXSJLCMTSA-N 0 3 387.487 -0.890 20 0 GBADHN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000565491161 530496958 /nfs/dbraw/zinc/49/69/58/530496958.db2.gz MQVHUECZZFJLSR-KOLCDFICSA-N 0 3 387.487 -0.890 20 0 GBADHN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000565491162 530496907 /nfs/dbraw/zinc/49/69/07/530496907.db2.gz MQVHUECZZFJLSR-MWLCHTKSSA-N 0 3 387.487 -0.890 20 0 GBADHN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000565491163 530496743 /nfs/dbraw/zinc/49/67/43/530496743.db2.gz MQVHUECZZFJLSR-ONGXEEELSA-N 0 3 387.487 -0.890 20 0 GBADHN O=S(=O)(NC[C@H]1CNCCO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000565707804 530497292 /nfs/dbraw/zinc/49/72/92/530497292.db2.gz HDCYNONWNKKYFK-GFCCVEGCSA-N 0 3 375.472 -0.606 20 0 GBADHN O=S(=O)(NC[C@@H]1CNCCO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000565707807 530497425 /nfs/dbraw/zinc/49/74/25/530497425.db2.gz HDCYNONWNKKYFK-LBPRGKRZSA-N 0 3 375.472 -0.606 20 0 GBADHN COC(=O)CN(C)C(=O)CCN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000565739455 530497680 /nfs/dbraw/zinc/49/76/80/530497680.db2.gz DEPIUIQBZXANET-CYBMUJFWSA-N 0 3 375.491 -0.198 20 0 GBADHN COC(=O)CN(C)C(=O)CCN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000565739456 530086521 /nfs/dbraw/zinc/08/65/21/530086521.db2.gz DEPIUIQBZXANET-ZDUSSCGKSA-N 0 3 375.491 -0.198 20 0 GBADHN CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@H](CN)C1 ZINC000565891484 530497832 /nfs/dbraw/zinc/49/78/32/530497832.db2.gz LNXBKKNJTHENGI-LLVKDONJSA-N 0 3 376.429 -0.266 20 0 GBADHN CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](CN)C1 ZINC000565891485 530497685 /nfs/dbraw/zinc/49/76/85/530497685.db2.gz LNXBKKNJTHENGI-NSHDSACASA-N 0 3 376.429 -0.266 20 0 GBADHN CC[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000566240418 530104331 /nfs/dbraw/zinc/10/43/31/530104331.db2.gz VAHBGJDVWLKNSR-UHFFFAOYSA-N 0 3 376.504 -0.222 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H]1C ZINC000566249407 530104924 /nfs/dbraw/zinc/10/49/24/530104924.db2.gz YEVUDPONJQHHOI-CYBMUJFWSA-N 0 3 375.491 -0.751 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)C[C@@H]1C ZINC000566249418 530104890 /nfs/dbraw/zinc/10/48/90/530104890.db2.gz YEVUDPONJQHHOI-ZDUSSCGKSA-N 0 3 375.491 -0.751 20 0 GBADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000566299697 530498537 /nfs/dbraw/zinc/49/85/37/530498537.db2.gz GNAFZZAHHCFLQD-LLVKDONJSA-N 0 3 377.488 -0.638 20 0 GBADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000566299698 530105991 /nfs/dbraw/zinc/10/59/91/530105991.db2.gz GNAFZZAHHCFLQD-NSHDSACASA-N 0 3 377.488 -0.638 20 0 GBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCNCc1cccnc1 ZINC000566301268 530498527 /nfs/dbraw/zinc/49/85/27/530498527.db2.gz VSVABVXFLYJIIY-UHFFFAOYSA-N 0 3 378.520 -0.238 20 0 GBADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496812 530499469 /nfs/dbraw/zinc/49/94/69/530499469.db2.gz UOUALLMBWRCBGK-NXEZZACHSA-N 0 3 399.245 -0.116 20 0 GBADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496816 530499452 /nfs/dbraw/zinc/49/94/52/530499452.db2.gz UOUALLMBWRCBGK-UWVGGRQHSA-N 0 3 399.245 -0.116 20 0 GBADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496817 530499443 /nfs/dbraw/zinc/49/94/43/530499443.db2.gz UOUALLMBWRCBGK-VHSXEESVSA-N 0 3 399.245 -0.116 20 0 GBADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496818 530499485 /nfs/dbraw/zinc/49/94/85/530499485.db2.gz UOUALLMBWRCBGK-ZJUUUORDSA-N 0 3 399.245 -0.116 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497012 530499506 /nfs/dbraw/zinc/49/95/06/530499506.db2.gz WKHOQAZWPSNRRG-BDAKNGLRSA-N 0 3 375.353 -0.059 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497014 530499526 /nfs/dbraw/zinc/49/95/26/530499526.db2.gz WKHOQAZWPSNRRG-DTWKUNHWSA-N 0 3 375.353 -0.059 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497016 530499445 /nfs/dbraw/zinc/49/94/45/530499445.db2.gz WKHOQAZWPSNRRG-IUCAKERBSA-N 0 3 375.353 -0.059 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497017 530499511 /nfs/dbraw/zinc/49/95/11/530499511.db2.gz WKHOQAZWPSNRRG-RKDXNWHRSA-N 0 3 375.353 -0.059 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)N(C)C1CC1 ZINC000566552675 530499462 /nfs/dbraw/zinc/49/94/62/530499462.db2.gz AQIUKUPAJBXUOS-GFCCVEGCSA-N 0 3 392.547 -0.920 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)N(C)C1CC1 ZINC000566552677 530499276 /nfs/dbraw/zinc/49/92/76/530499276.db2.gz AQIUKUPAJBXUOS-LBPRGKRZSA-N 0 3 392.547 -0.920 20 0 GBADHN CC(C(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1nnc(N(C)C)s1 ZINC000566568563 530499479 /nfs/dbraw/zinc/49/94/79/530499479.db2.gz ZPCVHRKTRYONSG-BDAKNGLRSA-N 0 3 375.476 -0.510 20 0 GBADHN CC(C(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1nnc(N(C)C)s1 ZINC000566568564 530499433 /nfs/dbraw/zinc/49/94/33/530499433.db2.gz ZPCVHRKTRYONSG-DTWKUNHWSA-N 0 3 375.476 -0.510 20 0 GBADHN CC(C(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1nnc(N(C)C)s1 ZINC000566568565 530499520 /nfs/dbraw/zinc/49/95/20/530499520.db2.gz ZPCVHRKTRYONSG-IUCAKERBSA-N 0 3 375.476 -0.510 20 0 GBADHN CC(C(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1nnc(N(C)C)s1 ZINC000566568566 530499467 /nfs/dbraw/zinc/49/94/67/530499467.db2.gz ZPCVHRKTRYONSG-RKDXNWHRSA-N 0 3 375.476 -0.510 20 0 GBADHN CO[C@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCC(C)CC2)N(S(C)(=O)=O)C1 ZINC000566601107 530499437 /nfs/dbraw/zinc/49/94/37/530499437.db2.gz YTHJWRIRNFBUKT-QLFBSQMISA-N 0 3 377.507 -0.756 20 0 GBADHN CO[C@H]1C[C@H](C(=O)NC[C@H](O)CN2CCC(C)CC2)N(S(C)(=O)=O)C1 ZINC000566601108 530499307 /nfs/dbraw/zinc/49/93/07/530499307.db2.gz YTHJWRIRNFBUKT-SOUVJXGZSA-N 0 3 377.507 -0.756 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC[C@H](O)CN2CCOCC2)c(C)s1 ZINC000566673406 530499395 /nfs/dbraw/zinc/49/93/95/530499395.db2.gz LOWVNRAYBOVLBT-AWEZNQCLSA-N 0 3 377.532 -0.074 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC[C@@H](O)CN2CCOCC2)c(C)s1 ZINC000566673407 530499532 /nfs/dbraw/zinc/49/95/32/530499532.db2.gz LOWVNRAYBOVLBT-CQSZACIVSA-N 0 3 377.532 -0.074 20 0 GBADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2CNCCN2C)c1 ZINC000566973300 530499900 /nfs/dbraw/zinc/49/99/00/530499900.db2.gz DZAYGMQYISRTOJ-CYBMUJFWSA-N 0 3 375.516 -0.111 20 0 GBADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H]2CNCCN2C)c1 ZINC000566973305 530499734 /nfs/dbraw/zinc/49/97/34/530499734.db2.gz DZAYGMQYISRTOJ-ZDUSSCGKSA-N 0 3 375.516 -0.111 20 0 GBADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000567043681 530500216 /nfs/dbraw/zinc/50/02/16/530500216.db2.gz RZBSADBYABRYOJ-FPCVCCKLSA-N 0 3 378.539 -0.683 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000567043682 530500347 /nfs/dbraw/zinc/50/03/47/530500347.db2.gz RZBSADBYABRYOJ-KLHDSHLOSA-N 0 3 378.539 -0.683 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043683 530500186 /nfs/dbraw/zinc/50/01/86/530500186.db2.gz RZBSADBYABRYOJ-QKPAOTATSA-N 0 3 378.539 -0.683 20 0 GBADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043684 530500259 /nfs/dbraw/zinc/50/02/59/530500259.db2.gz RZBSADBYABRYOJ-QXSJWSMHSA-N 0 3 378.539 -0.683 20 0 GBADHN Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cnc2c1Cl ZINC000567062631 530500229 /nfs/dbraw/zinc/50/02/29/530500229.db2.gz CTUPYBVPNZETGU-GXSJLCMTSA-N 0 3 384.849 -0.376 20 0 GBADHN Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cnc2c1Cl ZINC000567062632 530500222 /nfs/dbraw/zinc/50/02/22/530500222.db2.gz CTUPYBVPNZETGU-KOLCDFICSA-N 0 3 384.849 -0.376 20 0 GBADHN Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cnc2c1Cl ZINC000567062633 530500213 /nfs/dbraw/zinc/50/02/13/530500213.db2.gz CTUPYBVPNZETGU-MWLCHTKSSA-N 0 3 384.849 -0.376 20 0 GBADHN Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cnc2c1Cl ZINC000567062634 530500207 /nfs/dbraw/zinc/50/02/07/530500207.db2.gz CTUPYBVPNZETGU-ONGXEEELSA-N 0 3 384.849 -0.376 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCS(=O)(=O)N(C)C)C2)CC1 ZINC000567207453 530500202 /nfs/dbraw/zinc/50/02/02/530500202.db2.gz UHCQJMZNPQZEHI-HNNXBMFYSA-N 0 3 375.539 -0.312 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCS(=O)(=O)N(C)C)C2)CC1 ZINC000567207454 530500245 /nfs/dbraw/zinc/50/02/45/530500245.db2.gz UHCQJMZNPQZEHI-OAHLLOKOSA-N 0 3 375.539 -0.312 20 0 GBADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@H]1CNCCO1 ZINC000567271701 530500415 /nfs/dbraw/zinc/50/04/15/530500415.db2.gz MMMKCKOCMMDFPJ-LLVKDONJSA-N 0 3 392.275 -0.168 20 0 GBADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1CNCCO1 ZINC000567271702 530500434 /nfs/dbraw/zinc/50/04/34/530500434.db2.gz MMMKCKOCMMDFPJ-NSHDSACASA-N 0 3 392.275 -0.168 20 0 GBADHN CC(C)[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000567337884 530500609 /nfs/dbraw/zinc/50/06/09/530500609.db2.gz FUTRKQSBBFFBDJ-UHFFFAOYSA-N 0 3 376.504 -0.353 20 0 GBADHN NCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000567600366 530501297 /nfs/dbraw/zinc/50/12/97/530501297.db2.gz SBGISCINPPANMJ-UHFFFAOYSA-N 0 3 388.833 -0.538 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754405 530501408 /nfs/dbraw/zinc/50/14/08/530501408.db2.gz XGXVRCOIAZQNOR-GHMZBOCLSA-N 0 3 382.218 -0.447 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754406 530501717 /nfs/dbraw/zinc/50/17/17/530501717.db2.gz XGXVRCOIAZQNOR-MNOVXSKESA-N 0 3 382.218 -0.447 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754407 530501580 /nfs/dbraw/zinc/50/15/80/530501580.db2.gz XGXVRCOIAZQNOR-QWRGUYRKSA-N 0 3 382.218 -0.447 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754408 530501502 /nfs/dbraw/zinc/50/15/02/530501502.db2.gz XGXVRCOIAZQNOR-WDEREUQCSA-N 0 3 382.218 -0.447 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(N)C(F)(F)F)CC2)C[C@H](C)O1 ZINC000567776168 530501694 /nfs/dbraw/zinc/50/16/94/530501694.db2.gz GQXRPLDEVXEUHZ-AXFHLTTASA-N 0 3 388.412 -0.626 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(N)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000567776169 530501363 /nfs/dbraw/zinc/50/13/63/530501363.db2.gz GQXRPLDEVXEUHZ-GMTAPVOTSA-N 0 3 388.412 -0.626 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(N)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000567776170 530501488 /nfs/dbraw/zinc/50/14/88/530501488.db2.gz GQXRPLDEVXEUHZ-MXWKQRLJSA-N 0 3 388.412 -0.626 20 0 GBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(N)C(F)(F)F)CC2)C[C@H](C)O1 ZINC000567776171 530501559 /nfs/dbraw/zinc/50/15/59/530501559.db2.gz GQXRPLDEVXEUHZ-OUAUKWLOSA-N 0 3 388.412 -0.626 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000567807587 530501711 /nfs/dbraw/zinc/50/17/11/530501711.db2.gz OZFGGZRLENPKGS-CYBMUJFWSA-N 0 3 379.479 -0.834 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000567807588 530501386 /nfs/dbraw/zinc/50/13/86/530501386.db2.gz OZFGGZRLENPKGS-ZDUSSCGKSA-N 0 3 379.479 -0.834 20 0 GBADHN CSCC[C@@H](N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000567818187 530501529 /nfs/dbraw/zinc/50/15/29/530501529.db2.gz HNDYQRZWFLWAPZ-CYBMUJFWSA-N 0 3 375.516 -0.004 20 0 GBADHN CSCC[C@H](N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000567818188 530501698 /nfs/dbraw/zinc/50/16/98/530501698.db2.gz HNDYQRZWFLWAPZ-ZDUSSCGKSA-N 0 3 375.516 -0.004 20 0 GBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000567846085 530501632 /nfs/dbraw/zinc/50/16/32/530501632.db2.gz VBQGYIAMKCBMEP-GXSJLCMTSA-N 0 3 379.433 -0.183 20 0 GBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000567846086 530501368 /nfs/dbraw/zinc/50/13/68/530501368.db2.gz VBQGYIAMKCBMEP-KOLCDFICSA-N 0 3 379.433 -0.183 20 0 GBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000567846087 530501628 /nfs/dbraw/zinc/50/16/28/530501628.db2.gz VBQGYIAMKCBMEP-MWLCHTKSSA-N 0 3 379.433 -0.183 20 0 GBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000567846088 530501726 /nfs/dbraw/zinc/50/17/26/530501726.db2.gz VBQGYIAMKCBMEP-ONGXEEELSA-N 0 3 379.433 -0.183 20 0 GBADHN [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000567882265 530501943 /nfs/dbraw/zinc/50/19/43/530501943.db2.gz OKMFFZRDIQVGGU-GFCCVEGCSA-N 0 3 388.515 -0.270 20 0 GBADHN [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000567882266 530501783 /nfs/dbraw/zinc/50/17/83/530501783.db2.gz OKMFFZRDIQVGGU-LBPRGKRZSA-N 0 3 388.515 -0.270 20 0 GBADHN CN(C)CCOCCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000567949970 530502049 /nfs/dbraw/zinc/50/20/49/530502049.db2.gz YIZYVFMMJQUQCN-UHFFFAOYSA-N 0 3 377.488 -0.538 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCNC(CO)CO)c1 ZINC000568176061 530502487 /nfs/dbraw/zinc/50/24/87/530502487.db2.gz PCPMPWZGWOSKAT-UHFFFAOYSA-N 0 3 379.866 -0.138 20 0 GBADHN C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN(C)C ZINC000568222652 530502379 /nfs/dbraw/zinc/50/23/79/530502379.db2.gz YCIKNFXQEJQMHU-LLVKDONJSA-N 0 3 390.893 -0.199 20 0 GBADHN C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN(C)C ZINC000568222653 530502640 /nfs/dbraw/zinc/50/26/40/530502640.db2.gz YCIKNFXQEJQMHU-NSHDSACASA-N 0 3 390.893 -0.199 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cncc(Br)c3)CCN2C1=O ZINC000568267080 530503292 /nfs/dbraw/zinc/50/32/92/530503292.db2.gz AQSZCVLROWPXPX-GXSJLCMTSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cncc(Br)c3)CCN2C1=O ZINC000568267081 530503152 /nfs/dbraw/zinc/50/31/52/530503152.db2.gz AQSZCVLROWPXPX-KOLCDFICSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cncc(Br)c3)CCN2C1=O ZINC000568267082 530503103 /nfs/dbraw/zinc/50/31/03/530503103.db2.gz AQSZCVLROWPXPX-MWLCHTKSSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cncc(Br)c3)CCN2C1=O ZINC000568267083 530503147 /nfs/dbraw/zinc/50/31/47/530503147.db2.gz AQSZCVLROWPXPX-ONGXEEELSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OC(F)(F)O4)CCN2C1=O ZINC000568414610 530503018 /nfs/dbraw/zinc/50/30/18/530503018.db2.gz PUSKMBZBHHQJJY-PSASIEDQSA-N 0 3 375.353 -0.059 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OC(F)(F)O4)CCN2C1=O ZINC000568414611 530503270 /nfs/dbraw/zinc/50/32/70/530503270.db2.gz PUSKMBZBHHQJJY-SCZZXKLOSA-N 0 3 375.353 -0.059 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OC(F)(F)O4)CCN2C1=O ZINC000568414612 530502980 /nfs/dbraw/zinc/50/29/80/530502980.db2.gz PUSKMBZBHHQJJY-WCBMZHEXSA-N 0 3 375.353 -0.059 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OC(F)(F)O4)CCN2C1=O ZINC000568414613 530503258 /nfs/dbraw/zinc/50/32/58/530503258.db2.gz PUSKMBZBHHQJJY-WPRPVWTQSA-N 0 3 375.353 -0.059 20 0 GBADHN CN(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1O ZINC000568425546 530503348 /nfs/dbraw/zinc/50/33/48/530503348.db2.gz LSAUXSDLYDKICW-KBPBESRZSA-N 0 3 388.515 -0.501 20 0 GBADHN CN(C)[C@]1(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)CCSC1 ZINC000568469916 530503370 /nfs/dbraw/zinc/50/33/70/530503370.db2.gz KZPLTCDCEMECQI-AWEZNQCLSA-N 0 3 379.552 -0.961 20 0 GBADHN CN(C)[C@@]1(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)CCSC1 ZINC000568469917 530503696 /nfs/dbraw/zinc/50/36/96/530503696.db2.gz KZPLTCDCEMECQI-CQSZACIVSA-N 0 3 379.552 -0.961 20 0 GBADHN O=C(NC1CNC1)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000568610809 530503556 /nfs/dbraw/zinc/50/35/56/530503556.db2.gz UIVVTVHITMJJSU-UHFFFAOYSA-N 0 3 378.380 -0.316 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)CCN2C1=O ZINC000568769012 530503934 /nfs/dbraw/zinc/50/39/34/530503934.db2.gz ABUWRIWMNWVIMQ-NXEZZACHSA-N 0 3 382.218 -0.447 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)CCN2C1=O ZINC000568769013 530503765 /nfs/dbraw/zinc/50/37/65/530503765.db2.gz ABUWRIWMNWVIMQ-UWVGGRQHSA-N 0 3 382.218 -0.447 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)CCN2C1=O ZINC000568769014 530503881 /nfs/dbraw/zinc/50/38/81/530503881.db2.gz ABUWRIWMNWVIMQ-VHSXEESVSA-N 0 3 382.218 -0.447 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)CCN2C1=O ZINC000568769015 530504123 /nfs/dbraw/zinc/50/41/23/530504123.db2.gz ABUWRIWMNWVIMQ-ZJUUUORDSA-N 0 3 382.218 -0.447 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000568870146 530504040 /nfs/dbraw/zinc/50/40/40/530504040.db2.gz FYHTZABWVJUYCF-CABCVRRESA-N 0 3 375.539 -0.407 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000568870147 530503820 /nfs/dbraw/zinc/50/38/20/530503820.db2.gz FYHTZABWVJUYCF-GJZGRUSLSA-N 0 3 375.539 -0.407 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000568870148 530504119 /nfs/dbraw/zinc/50/41/19/530504119.db2.gz FYHTZABWVJUYCF-HUUCEWRRSA-N 0 3 375.539 -0.407 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000568870149 530503857 /nfs/dbraw/zinc/50/38/57/530503857.db2.gz FYHTZABWVJUYCF-LSDHHAIUSA-N 0 3 375.539 -0.407 20 0 GBADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000568870607 530503845 /nfs/dbraw/zinc/50/38/45/530503845.db2.gz PSGCXPXXPGMOOH-CYBMUJFWSA-N 0 3 375.516 -0.030 20 0 GBADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000568870618 530504088 /nfs/dbraw/zinc/50/40/88/530504088.db2.gz PSGCXPXXPGMOOH-ZDUSSCGKSA-N 0 3 375.516 -0.030 20 0 GBADHN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000568883663 530504515 /nfs/dbraw/zinc/50/45/15/530504515.db2.gz PZVSGSBNZBDRIU-BDAKNGLRSA-N 0 3 389.455 -0.524 20 0 GBADHN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000568883664 530504464 /nfs/dbraw/zinc/50/44/64/530504464.db2.gz PZVSGSBNZBDRIU-DTWKUNHWSA-N 0 3 389.455 -0.524 20 0 GBADHN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000568883665 530504512 /nfs/dbraw/zinc/50/45/12/530504512.db2.gz PZVSGSBNZBDRIU-IUCAKERBSA-N 0 3 389.455 -0.524 20 0 GBADHN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000568883666 530504443 /nfs/dbraw/zinc/50/44/43/530504443.db2.gz PZVSGSBNZBDRIU-RKDXNWHRSA-N 0 3 389.455 -0.524 20 0 GBADHN CN(C)CCOc1cnccc1CNS(=O)(=O)CCCS(C)(=O)=O ZINC000568928384 530504214 /nfs/dbraw/zinc/50/42/14/530504214.db2.gz ZKFAVQDZBKUSAO-UHFFFAOYSA-N 0 3 379.504 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384.440 -0.618 20 0 GBADHN O=C(CNS(=O)(=O)c1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000571088183 530208383 /nfs/dbraw/zinc/20/83/83/530208383.db2.gz AOZDGCVWAQDNMG-LLVKDONJSA-N 0 3 392.275 -0.168 20 0 GBADHN O=C(CNS(=O)(=O)c1cccc(Br)c1)NC[C@@H]1CNCCO1 ZINC000571088184 530208463 /nfs/dbraw/zinc/20/84/63/530208463.db2.gz AOZDGCVWAQDNMG-NSHDSACASA-N 0 3 392.275 -0.168 20 0 GBADHN CN(CCNC[C@H](O)CN1CCN(C)CC1)S(=O)(=O)c1cccs1 ZINC000571158450 530208688 /nfs/dbraw/zinc/20/86/88/530208688.db2.gz IFJPJKKIDDYTDN-AWEZNQCLSA-N 0 3 376.548 -0.434 20 0 GBADHN CN(CCNC[C@@H](O)CN1CCN(C)CC1)S(=O)(=O)c1cccs1 ZINC000571158451 530208345 /nfs/dbraw/zinc/20/83/45/530208345.db2.gz IFJPJKKIDDYTDN-CQSZACIVSA-N 0 3 376.548 -0.434 20 0 GBADHN CN(C)[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1O ZINC000571223949 530208845 /nfs/dbraw/zinc/20/88/45/530208845.db2.gz MOKPGVAPLLWBFD-STQMWFEESA-N 0 3 389.499 -0.484 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000571284138 1073892478 /nfs/dbraw/zinc/89/24/78/1073892478.db2.gz LWTKMIRPRLJXAP-ZBFHGGJFSA-N 0 3 394.497 -0.389 20 0 GBADHN COC[C@]1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCC[NH2+]1 ZINC000571322257 530209871 /nfs/dbraw/zinc/20/98/71/530209871.db2.gz ZNKLOXYHEJPURX-CYBMUJFWSA-N 0 3 375.223 -0.404 20 0 GBADHN COC[C@@]1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCC[NH2+]1 ZINC000571322260 530209718 /nfs/dbraw/zinc/20/97/18/530209718.db2.gz ZNKLOXYHEJPURX-ZDUSSCGKSA-N 0 3 375.223 -0.404 20 0 GBADHN COC(=O)C(C)(C)CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000571559144 530211367 /nfs/dbraw/zinc/21/13/67/530211367.db2.gz WMPOKHVOTSKONB-UHFFFAOYSA-N 0 3 375.491 -0.245 20 0 GBADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000571648690 530228787 /nfs/dbraw/zinc/22/87/87/530228787.db2.gz BQNZCXCLCYDEFG-LLVKDONJSA-N 0 3 389.503 -0.033 20 0 GBADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000571648690 530228786 /nfs/dbraw/zinc/22/87/86/530228786.db2.gz BQNZCXCLCYDEFG-LLVKDONJSA-N 0 3 389.503 -0.033 20 0 GBADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000571648691 530228738 /nfs/dbraw/zinc/22/87/38/530228738.db2.gz BQNZCXCLCYDEFG-NSHDSACASA-N 0 3 389.503 -0.033 20 0 GBADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000571648691 530228737 /nfs/dbraw/zinc/22/87/37/530228737.db2.gz BQNZCXCLCYDEFG-NSHDSACASA-N 0 3 389.503 -0.033 20 0 GBADHN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571658671 1073034996 /nfs/dbraw/zinc/03/49/96/1073034996.db2.gz PPOJAWCGWODZEE-XNGSYYAWSA-N 0 3 386.452 -0.388 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNC[C@H](O)CS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000571680948 530301416 /nfs/dbraw/zinc/30/14/16/530301416.db2.gz GMGSDKUNMAPXBU-BARDWOONSA-N 0 3 392.543 -0.058 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)CS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000571680950 530301211 /nfs/dbraw/zinc/30/12/11/530301211.db2.gz GMGSDKUNMAPXBU-KBUPBQIOSA-N 0 3 392.543 -0.058 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)CS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000571680955 530301507 /nfs/dbraw/zinc/30/15/07/530301507.db2.gz GMGSDKUNMAPXBU-LXTVHRRPSA-N 0 3 392.543 -0.058 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNC[C@H](O)CS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000571680956 530301330 /nfs/dbraw/zinc/30/13/30/530301330.db2.gz GMGSDKUNMAPXBU-TUVASFSCSA-N 0 3 392.543 -0.058 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000571764920 530351397 /nfs/dbraw/zinc/35/13/97/530351397.db2.gz NRXVCOUGZRRCDH-NXEZZACHSA-N 0 3 376.504 -0.096 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000571764921 530351274 /nfs/dbraw/zinc/35/12/74/530351274.db2.gz NRXVCOUGZRRCDH-UWVGGRQHSA-N 0 3 376.504 -0.096 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)C[C@H](C)[NH3+])s1 ZINC000571764922 530351291 /nfs/dbraw/zinc/35/12/91/530351291.db2.gz NRXVCOUGZRRCDH-VHSXEESVSA-N 0 3 376.504 -0.096 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000571764923 530351735 /nfs/dbraw/zinc/35/17/35/530351735.db2.gz NRXVCOUGZRRCDH-ZJUUUORDSA-N 0 3 376.504 -0.096 20 0 GBADHN Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Br ZINC000571821115 530351766 /nfs/dbraw/zinc/35/17/66/530351766.db2.gz JXODMAMCRHFBAU-GXSJLCMTSA-N 0 3 396.245 -0.139 20 0 GBADHN Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Br ZINC000571821116 530351452 /nfs/dbraw/zinc/35/14/52/530351452.db2.gz JXODMAMCRHFBAU-KOLCDFICSA-N 0 3 396.245 -0.139 20 0 GBADHN Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Br ZINC000571821117 530351731 /nfs/dbraw/zinc/35/17/31/530351731.db2.gz JXODMAMCRHFBAU-MWLCHTKSSA-N 0 3 396.245 -0.139 20 0 GBADHN Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Br ZINC000571821118 530351659 /nfs/dbraw/zinc/35/16/59/530351659.db2.gz JXODMAMCRHFBAU-ONGXEEELSA-N 0 3 396.245 -0.139 20 0 GBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000571882532 530351543 /nfs/dbraw/zinc/35/15/43/530351543.db2.gz ZVRFVBZALNFAFP-AWEZNQCLSA-N 0 3 376.523 -0.427 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000571882533 530351827 /nfs/dbraw/zinc/35/18/27/530351827.db2.gz ZVRFVBZALNFAFP-CQSZACIVSA-N 0 3 376.523 -0.427 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)NCCCCN1CCN(C)CC1 ZINC000571976021 530352135 /nfs/dbraw/zinc/35/21/35/530352135.db2.gz FZQKDCSUPFGCRD-UHFFFAOYSA-N 0 3 378.543 -0.854 20 0 GBADHN Cc1nc(NCCCCN2CCN(CCO)CC2)sc1S(N)(=O)=O ZINC000572305291 530177140 /nfs/dbraw/zinc/17/71/40/530177140.db2.gz ADHFRHZLXQXPDL-UHFFFAOYSA-N 0 3 377.536 -0.099 20 0 GBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H](CN)OC)CC2)c1 ZINC000572393011 530354446 /nfs/dbraw/zinc/35/44/46/530354446.db2.gz RCTUXCXVMOKYFT-LLVKDONJSA-N 0 3 391.471 -0.659 20 0 GBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](CN)OC)CC2)c1 ZINC000572393012 530354346 /nfs/dbraw/zinc/35/43/46/530354346.db2.gz RCTUXCXVMOKYFT-NSHDSACASA-N 0 3 391.471 -0.659 20 0 GBADHN CCN(CCCNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1)S(C)(=O)=O ZINC000572468915 530354774 /nfs/dbraw/zinc/35/47/74/530354774.db2.gz UICSFKIETYMWIF-AWEZNQCLSA-N 0 3 376.523 -0.426 20 0 GBADHN CCN(CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1)S(C)(=O)=O ZINC000572468916 530354997 /nfs/dbraw/zinc/35/49/97/530354997.db2.gz UICSFKIETYMWIF-CQSZACIVSA-N 0 3 376.523 -0.426 20 0 GBADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1F ZINC000572487058 530386779 /nfs/dbraw/zinc/38/67/79/530386779.db2.gz UUXOAAQAAMYZJW-LLVKDONJSA-N 0 3 394.494 -0.149 20 0 GBADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1F ZINC000572487059 530386866 /nfs/dbraw/zinc/38/68/66/530386866.db2.gz UUXOAAQAAMYZJW-NSHDSACASA-N 0 3 394.494 -0.149 20 0 GBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000572725901 530117634 /nfs/dbraw/zinc/11/76/34/530117634.db2.gz ACRFHXOSXOOEGQ-GFCCVEGCSA-N 0 3 376.504 -0.800 20 0 GBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000572725902 530117294 /nfs/dbraw/zinc/11/72/94/530117294.db2.gz ACRFHXOSXOOEGQ-LBPRGKRZSA-N 0 3 376.504 -0.800 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782049 530123917 /nfs/dbraw/zinc/12/39/17/530123917.db2.gz HZXNMTMHHJCMNW-BQBZGAKWSA-N 0 3 377.348 -0.129 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782050 530123707 /nfs/dbraw/zinc/12/37/07/530123707.db2.gz HZXNMTMHHJCMNW-NKWVEPMBSA-N 0 3 377.348 -0.129 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782051 530123518 /nfs/dbraw/zinc/12/35/18/530123518.db2.gz HZXNMTMHHJCMNW-RNFRBKRXSA-N 0 3 377.348 -0.129 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782052 530123459 /nfs/dbraw/zinc/12/34/59/530123459.db2.gz HZXNMTMHHJCMNW-RQJHMYQMSA-N 0 3 377.348 -0.129 20 0 GBADHN O=C(NCCCNC(=O)c1cccc(Br)c1)C(=O)NC1CNC1 ZINC000572826544 530505248 /nfs/dbraw/zinc/50/52/48/530505248.db2.gz JUPVKUKPCRBOSR-UHFFFAOYSA-N 0 3 383.246 -0.227 20 0 GBADHN CSC1(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)CCN(C)CC1 ZINC000573031328 530505778 /nfs/dbraw/zinc/50/57/78/530505778.db2.gz MJOYBDBBWYBZSO-UHFFFAOYSA-N 0 3 375.520 -0.358 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC2CC[NH2+]CC2)s1 ZINC000573090969 530505627 /nfs/dbraw/zinc/50/56/27/530505627.db2.gz RMWZOJWPPMXUTR-UHFFFAOYSA-N 0 3 388.515 -0.222 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC[NH3+])C(F)F)s1 ZINC000573092920 530505459 /nfs/dbraw/zinc/50/54/59/530505459.db2.gz HKFQTFDKWKEWFX-JTQLQIEISA-N 0 3 398.457 -0.239 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](CC[NH3+])C(F)F)s1 ZINC000573092922 530505768 /nfs/dbraw/zinc/50/57/68/530505768.db2.gz HKFQTFDKWKEWFX-SNVBAGLBSA-N 0 3 398.457 -0.239 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099189 530505633 /nfs/dbraw/zinc/50/56/33/530505633.db2.gz QQLRWXJFLJBERI-GHMZBOCLSA-N 0 3 378.495 -0.950 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099190 530505507 /nfs/dbraw/zinc/50/55/07/530505507.db2.gz QQLRWXJFLJBERI-MNOVXSKESA-N 0 3 378.495 -0.950 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099191 530505695 /nfs/dbraw/zinc/50/56/95/530505695.db2.gz QQLRWXJFLJBERI-QWRGUYRKSA-N 0 3 378.495 -0.950 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099192 530505571 /nfs/dbraw/zinc/50/55/71/530505571.db2.gz QQLRWXJFLJBERI-WDEREUQCSA-N 0 3 378.495 -0.950 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104378 530505523 /nfs/dbraw/zinc/50/55/23/530505523.db2.gz PJRFXAFMPJLUJR-CHWSQXEVSA-N 0 3 395.257 -0.051 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104387 530505823 /nfs/dbraw/zinc/50/58/23/530505823.db2.gz PJRFXAFMPJLUJR-OLZOCXBDSA-N 0 3 395.257 -0.051 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104388 530505784 /nfs/dbraw/zinc/50/57/84/530505784.db2.gz PJRFXAFMPJLUJR-QWHCGFSZSA-N 0 3 395.257 -0.051 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104389 530505624 /nfs/dbraw/zinc/50/56/24/530505624.db2.gz PJRFXAFMPJLUJR-STQMWFEESA-N 0 3 395.257 -0.051 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ncc1Br ZINC000573105319 530506002 /nfs/dbraw/zinc/50/60/02/530506002.db2.gz UUADPHRWVKRIMT-GXSJLCMTSA-N 0 3 396.245 -0.139 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ncc1Br ZINC000573105339 530505952 /nfs/dbraw/zinc/50/59/52/530505952.db2.gz UUADPHRWVKRIMT-KOLCDFICSA-N 0 3 396.245 -0.139 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ncc1Br ZINC000573105340 530506105 /nfs/dbraw/zinc/50/61/05/530506105.db2.gz UUADPHRWVKRIMT-MWLCHTKSSA-N 0 3 396.245 -0.139 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ncc1Br ZINC000573105343 530505871 /nfs/dbraw/zinc/50/58/71/530505871.db2.gz UUADPHRWVKRIMT-ONGXEEELSA-N 0 3 396.245 -0.139 20 0 GBADHN CCN1CCN(C(=O)CNC(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000573116305 530505927 /nfs/dbraw/zinc/50/59/27/530505927.db2.gz CHIGWNNRAKRLAM-CYBMUJFWSA-N 0 3 375.491 -0.751 20 0 GBADHN CCN1CCN(C(=O)CNC(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000573116306 530506184 /nfs/dbraw/zinc/50/61/84/530506184.db2.gz CHIGWNNRAKRLAM-ZDUSSCGKSA-N 0 3 375.491 -0.751 20 0 GBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000573124137 530506061 /nfs/dbraw/zinc/50/60/61/530506061.db2.gz UKZNZPOAGLHCGW-GFCCVEGCSA-N 0 3 376.504 -0.800 20 0 GBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000573124142 530505949 /nfs/dbraw/zinc/50/59/49/530505949.db2.gz UKZNZPOAGLHCGW-LBPRGKRZSA-N 0 3 376.504 -0.800 20 0 GBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000573211472 530505943 /nfs/dbraw/zinc/50/59/43/530505943.db2.gz QZQZQFCPCFGMHT-CYBMUJFWSA-N 0 3 394.563 -0.672 20 0 GBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000573211473 530505974 /nfs/dbraw/zinc/50/59/74/530505974.db2.gz QZQZQFCPCFGMHT-ZDUSSCGKSA-N 0 3 394.563 -0.672 20 0 GBADHN Cn1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(Br)c1=O ZINC000573267350 530506195 /nfs/dbraw/zinc/50/61/95/530506195.db2.gz FRBVZOVBXDGNTD-GXSJLCMTSA-N 0 3 384.234 -0.077 20 0 GBADHN Cn1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(Br)c1=O ZINC000573267351 530506230 /nfs/dbraw/zinc/50/62/30/530506230.db2.gz FRBVZOVBXDGNTD-KOLCDFICSA-N 0 3 384.234 -0.077 20 0 GBADHN Cn1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(Br)c1=O ZINC000573267352 530506174 /nfs/dbraw/zinc/50/61/74/530506174.db2.gz FRBVZOVBXDGNTD-MWLCHTKSSA-N 0 3 384.234 -0.077 20 0 GBADHN Cn1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(Br)c1=O ZINC000573267353 530506010 /nfs/dbraw/zinc/50/60/10/530506010.db2.gz FRBVZOVBXDGNTD-ONGXEEELSA-N 0 3 384.234 -0.077 20 0 GBADHN COCC[NH2+]C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000573333899 530506627 /nfs/dbraw/zinc/50/66/27/530506627.db2.gz ISOUXMDGOGOMMF-UHFFFAOYSA-N 0 3 389.250 -0.062 20 0 GBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCN2CCN(CC)CC2)C1 ZINC000573354843 530506609 /nfs/dbraw/zinc/50/66/09/530506609.db2.gz XHCNFLVKHDNKKY-HNNXBMFYSA-N 0 3 376.523 -0.267 20 0 GBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCN2CCN(CC)CC2)C1 ZINC000573354844 530506546 /nfs/dbraw/zinc/50/65/46/530506546.db2.gz XHCNFLVKHDNKKY-OAHLLOKOSA-N 0 3 376.523 -0.267 20 0 GBADHN CN(C)[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@@H]1O ZINC000573383949 530506633 /nfs/dbraw/zinc/50/66/33/530506633.db2.gz LKMFKVPOPFLESV-STQMWFEESA-N 0 3 376.866 -0.467 20 0 GBADHN CN1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC000573507320 530506890 /nfs/dbraw/zinc/50/68/90/530506890.db2.gz YFCIZQVGMRXBDU-CYBMUJFWSA-N 0 3 391.519 -0.706 20 0 GBADHN CN1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC000573507322 530507061 /nfs/dbraw/zinc/50/70/61/530507061.db2.gz YFCIZQVGMRXBDU-ZDUSSCGKSA-N 0 3 391.519 -0.706 20 0 GBADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000573512176 530506978 /nfs/dbraw/zinc/50/69/78/530506978.db2.gz SXMGYWZDADLSDR-HNNXBMFYSA-N 0 3 376.523 -0.628 20 0 GBADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000573512182 530507034 /nfs/dbraw/zinc/50/70/34/530507034.db2.gz SXMGYWZDADLSDR-OAHLLOKOSA-N 0 3 376.523 -0.628 20 0 GBADHN [NH3+]CCn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000573626369 530507091 /nfs/dbraw/zinc/50/70/91/530507091.db2.gz ZITJMHBXDHNIPQ-UHFFFAOYSA-N 0 3 390.828 -0.262 20 0 GBADHN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000573684098 530507030 /nfs/dbraw/zinc/50/70/30/530507030.db2.gz LHCOJLNMAVDJFH-CABCVRRESA-N 0 3 376.523 -0.054 20 0 GBADHN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000573684099 530506813 /nfs/dbraw/zinc/50/68/13/530506813.db2.gz LHCOJLNMAVDJFH-GJZGRUSLSA-N 0 3 376.523 -0.054 20 0 GBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000573684100 530507014 /nfs/dbraw/zinc/50/70/14/530507014.db2.gz LHCOJLNMAVDJFH-HUUCEWRRSA-N 0 3 376.523 -0.054 20 0 GBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000573684101 530506734 /nfs/dbraw/zinc/50/67/34/530506734.db2.gz LHCOJLNMAVDJFH-LSDHHAIUSA-N 0 3 376.523 -0.054 20 0 GBADHN CN(C)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@@H]1O ZINC000573884625 530507454 /nfs/dbraw/zinc/50/74/54/530507454.db2.gz NHKMAODGVAFSAM-RYUDHWBXSA-N 0 3 389.499 -0.484 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099635 530507701 /nfs/dbraw/zinc/50/77/01/530507701.db2.gz MZKCSKNENBTABA-GXSJLCMTSA-N 0 3 379.218 -0.124 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099636 530507865 /nfs/dbraw/zinc/50/78/65/530507865.db2.gz MZKCSKNENBTABA-KOLCDFICSA-N 0 3 379.218 -0.124 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099637 530507653 /nfs/dbraw/zinc/50/76/53/530507653.db2.gz MZKCSKNENBTABA-MWLCHTKSSA-N 0 3 379.218 -0.124 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099638 530507871 /nfs/dbraw/zinc/50/78/71/530507871.db2.gz MZKCSKNENBTABA-ONGXEEELSA-N 0 3 379.218 -0.124 20 0 GBADHN C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)NCCN(C)C ZINC000574171578 530507748 /nfs/dbraw/zinc/50/77/48/530507748.db2.gz OAMKYRCETOLZNL-LLVKDONJSA-N 0 3 390.531 -0.364 20 0 GBADHN C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)NCCN(C)C ZINC000574171582 530507603 /nfs/dbraw/zinc/50/76/03/530507603.db2.gz OAMKYRCETOLZNL-NSHDSACASA-N 0 3 390.531 -0.364 20 0 GBADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000574328774 530508044 /nfs/dbraw/zinc/50/80/44/530508044.db2.gz XTXJDJKTTBUZRI-UHFFFAOYSA-N 0 3 375.535 -0.030 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2CCN(C)CC2)s1 ZINC000574444996 530508348 /nfs/dbraw/zinc/50/83/48/530508348.db2.gz LHKGQQDXHQKBDN-AWEZNQCLSA-N 0 3 376.548 -0.467 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2CCN(C)CC2)s1 ZINC000574444997 530508211 /nfs/dbraw/zinc/50/82/11/530508211.db2.gz LHKGQQDXHQKBDN-CQSZACIVSA-N 0 3 376.548 -0.467 20 0 GBADHN CCN1CCN(CCNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000574471761 530508124 /nfs/dbraw/zinc/50/81/24/530508124.db2.gz MPHBUZCSRAEDAI-UHFFFAOYSA-N 0 3 387.527 -0.068 20 0 GBADHN CN(C)CCOc1cnccc1CNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000574480044 530508327 /nfs/dbraw/zinc/50/83/27/530508327.db2.gz GLCMJQCDPDWGOP-UHFFFAOYSA-N 0 3 392.503 -0.913 20 0 GBADHN CN1CCN(C[C@@H](O)CNCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000574565616 530508146 /nfs/dbraw/zinc/50/81/46/530508146.db2.gz XVWIBHQFCLKWFW-HNNXBMFYSA-N 0 3 390.937 -0.184 20 0 GBADHN CN1CCN(C[C@H](O)CNCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000574565617 530508007 /nfs/dbraw/zinc/50/80/07/530508007.db2.gz XVWIBHQFCLKWFW-OAHLLOKOSA-N 0 3 390.937 -0.184 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000574588187 530508531 /nfs/dbraw/zinc/50/85/31/530508531.db2.gz YOIJXGIBNBBHDP-STQMWFEESA-N 0 3 378.520 -0.085 20 0 GBADHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000574652147 530508520 /nfs/dbraw/zinc/50/85/20/530508520.db2.gz MSILVZCTIPHULY-HNNXBMFYSA-N 0 3 390.531 -0.340 20 0 GBADHN CCc1ccccc1[C@H](N)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000574652148 530508681 /nfs/dbraw/zinc/50/86/81/530508681.db2.gz MSILVZCTIPHULY-OAHLLOKOSA-N 0 3 390.531 -0.340 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927275 530124793 /nfs/dbraw/zinc/12/47/93/530124793.db2.gz CVPGPNVUSOXCBB-NXEZZACHSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927276 530125066 /nfs/dbraw/zinc/12/50/66/530125066.db2.gz CVPGPNVUSOXCBB-UWVGGRQHSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927277 530125112 /nfs/dbraw/zinc/12/51/12/530125112.db2.gz CVPGPNVUSOXCBB-VHSXEESVSA-N 0 3 375.248 -0.223 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927278 530125078 /nfs/dbraw/zinc/12/50/78/530125078.db2.gz CVPGPNVUSOXCBB-ZJUUUORDSA-N 0 3 375.248 -0.223 20 0 GBADHN CCCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000574937288 530124996 /nfs/dbraw/zinc/12/49/96/530124996.db2.gz AGENPJRHIXBBKN-AWEZNQCLSA-N 0 3 376.523 -0.378 20 0 GBADHN CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000574937289 530125007 /nfs/dbraw/zinc/12/50/07/530125007.db2.gz AGENPJRHIXBBKN-CQSZACIVSA-N 0 3 376.523 -0.378 20 0 GBADHN CCS(=O)(=O)N1CC(CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000574955284 530125678 /nfs/dbraw/zinc/12/56/78/530125678.db2.gz HGYRDSFKWBFLOK-UHFFFAOYSA-N 0 3 375.539 -0.407 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000575007796 530397271 /nfs/dbraw/zinc/39/72/71/530397271.db2.gz PMYYETSFCJFJCT-DOMZBBRYSA-N 0 3 392.547 -0.920 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000575007797 530397277 /nfs/dbraw/zinc/39/72/77/530397277.db2.gz PMYYETSFCJFJCT-IUODEOHRSA-N 0 3 392.547 -0.920 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000575007798 530397222 /nfs/dbraw/zinc/39/72/22/530397222.db2.gz PMYYETSFCJFJCT-SWLSCSKDSA-N 0 3 392.547 -0.920 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000575007799 530397328 /nfs/dbraw/zinc/39/73/28/530397328.db2.gz PMYYETSFCJFJCT-WFASDCNBSA-N 0 3 392.547 -0.920 20 0 GBADHN CCS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000575138856 530509123 /nfs/dbraw/zinc/50/91/23/530509123.db2.gz OVRAUJZIKCHBNV-CMPLNLGQSA-N 0 3 386.499 -0.005 20 0 GBADHN CCS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000575138857 530508954 /nfs/dbraw/zinc/50/89/54/530508954.db2.gz OVRAUJZIKCHBNV-JQWIXIFHSA-N 0 3 386.499 -0.005 20 0 GBADHN CCS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000575138858 530508871 /nfs/dbraw/zinc/50/88/71/530508871.db2.gz OVRAUJZIKCHBNV-PWSUYJOCSA-N 0 3 386.499 -0.005 20 0 GBADHN CCS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000575138859 530509100 /nfs/dbraw/zinc/50/91/00/530509100.db2.gz OVRAUJZIKCHBNV-ZYHUDNBSSA-N 0 3 386.499 -0.005 20 0 GBADHN CN(CCC[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000575197282 530509249 /nfs/dbraw/zinc/50/92/49/530509249.db2.gz VCMFWNBHMRJRHH-UHFFFAOYSA-N 0 3 378.401 -0.834 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)C[NH+](C)C)s1 ZINC000575459814 530509516 /nfs/dbraw/zinc/50/95/16/530509516.db2.gz AKMJQVNWGKPJIF-JTQLQIEISA-N 0 3 376.504 -0.271 20 0 GBADHN CN1CCN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)[C@H](C[NH3+])C1 ZINC000575734585 530509359 /nfs/dbraw/zinc/50/93/59/530509359.db2.gz YBDRVGPVCILNAS-LLVKDONJSA-N 0 3 385.262 -0.128 20 0 GBADHN CN1CCN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)[C@@H](C[NH3+])C1 ZINC000575734593 530509337 /nfs/dbraw/zinc/50/93/37/530509337.db2.gz YBDRVGPVCILNAS-NSHDSACASA-N 0 3 385.262 -0.128 20 0 GBADHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)[C@H](CN)C1 ZINC000575805416 530509713 /nfs/dbraw/zinc/50/97/13/530509713.db2.gz LDVNPCSKWMRYNA-LLVKDONJSA-N 0 3 376.866 -0.533 20 0 GBADHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)[C@@H](CN)C1 ZINC000575805417 530510016 /nfs/dbraw/zinc/51/00/16/530510016.db2.gz LDVNPCSKWMRYNA-NSHDSACASA-N 0 3 376.866 -0.533 20 0 GBADHN COC(=O)C[C@@H](C)N1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)CC1 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CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000576763431 530511258 /nfs/dbraw/zinc/51/12/58/530511258.db2.gz PXLVIWHPCJEXOW-AWEZNQCLSA-N 0 3 376.523 -0.237 20 0 GBADHN CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000576763434 530511243 /nfs/dbraw/zinc/51/12/43/530511243.db2.gz PXLVIWHPCJEXOW-CQSZACIVSA-N 0 3 376.523 -0.237 20 0 GBADHN Cn1cc(I)c(CNC[C@@H](O)CN2CCN(C)CC2)n1 ZINC000576816945 530511160 /nfs/dbraw/zinc/51/11/60/530511160.db2.gz QKUJEVYGLGHHMD-LLVKDONJSA-N 0 3 393.273 -0.277 20 0 GBADHN Cn1cc(I)c(CNC[C@H](O)CN2CCN(C)CC2)n1 ZINC000576816946 530511114 /nfs/dbraw/zinc/51/11/14/530511114.db2.gz QKUJEVYGLGHHMD-NSHDSACASA-N 0 3 393.273 -0.277 20 0 GBADHN O=S(=O)(CCNC[C@@H](O)COC1CCOCC1)NC[C@H]1CCCCO1 ZINC000577055091 530511988 /nfs/dbraw/zinc/51/19/88/530511988.db2.gz HNTKDRUOMDJDGI-GDBMZVCRSA-N 0 3 380.507 -0.379 20 0 GBADHN O=S(=O)(CCNC[C@H](O)COC1CCOCC1)NC[C@H]1CCCCO1 ZINC000577055092 530511915 /nfs/dbraw/zinc/51/19/15/530511915.db2.gz 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/nfs/dbraw/zinc/15/20/48/1072152048.db2.gz VSJSGKZTKFROHH-CVEARBPZSA-N 0 3 378.473 -0.467 20 0 GBADHN O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000579805719 1072151905 /nfs/dbraw/zinc/15/19/05/1072151905.db2.gz VSJSGKZTKFROHH-HOTGVXAUSA-N 0 3 378.473 -0.467 20 0 GBADHN O=C(C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000579805720 1072152157 /nfs/dbraw/zinc/15/21/57/1072152157.db2.gz VSJSGKZTKFROHH-HZPDHXFCSA-N 0 3 378.473 -0.467 20 0 GBADHN O=C(C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000579805721 1072152090 /nfs/dbraw/zinc/15/20/90/1072152090.db2.gz VSJSGKZTKFROHH-JKSUJKDBSA-N 0 3 378.473 -0.467 20 0 GBADHN C[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(=O)NCCN(C)C ZINC000579858075 530102328 /nfs/dbraw/zinc/10/23/28/530102328.db2.gz QJFXBYSVHPVGJS-MOKVOYLWSA-N 0 3 376.523 -0.333 20 0 GBADHN C[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(=O)NCCN(C)C ZINC000579858076 530102301 /nfs/dbraw/zinc/10/23/01/530102301.db2.gz QJFXBYSVHPVGJS-ROKHWSDSSA-N 0 3 376.523 -0.333 20 0 GBADHN C[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](C)N2CC(C)C2)CCN1C)N1CC(C)C1 ZINC000579858391 1072205320 /nfs/dbraw/zinc/20/53/20/1072205320.db2.gz ZLMISONNVRJMAT-FGTMMUONSA-N 0 3 379.549 -0.074 20 0 GBADHN C[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](C)N2CC(C)C2)CCN1C)N1CC(C)C1 ZINC000579858392 1072205050 /nfs/dbraw/zinc/20/50/50/1072205050.db2.gz ZLMISONNVRJMAT-KURKYZTESA-N 0 3 379.549 -0.074 20 0 GBADHN C[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)N2CC(C)C2)CCN1C)N1CC(C)C1 ZINC000579858393 1072205149 /nfs/dbraw/zinc/20/51/49/1072205149.db2.gz ZLMISONNVRJMAT-KZNAEPCWSA-N 0 3 379.549 -0.074 20 0 GBADHN C[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](C)N2CC(C)C2)CCN1C)N1CC(C)C1 ZINC000579858394 1072205565 /nfs/dbraw/zinc/20/55/65/1072205565.db2.gz ZLMISONNVRJMAT-SQNIBIBYSA-N 0 3 379.549 -0.074 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(C)c1 ZINC000579861884 1072216303 /nfs/dbraw/zinc/21/63/03/1072216303.db2.gz VWGOLXAXZOZOCB-DLBZAZTESA-N 0 3 387.484 -0.292 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(C)c1 ZINC000579861885 1072215841 /nfs/dbraw/zinc/21/58/41/1072215841.db2.gz VWGOLXAXZOZOCB-IAGOWNOFSA-N 0 3 387.484 -0.292 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(C)c1 ZINC000579861886 1072216068 /nfs/dbraw/zinc/21/60/68/1072216068.db2.gz VWGOLXAXZOZOCB-IRXDYDNUSA-N 0 3 387.484 -0.292 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(C)c1 ZINC000579861887 1072216122 /nfs/dbraw/zinc/21/61/22/1072216122.db2.gz VWGOLXAXZOZOCB-SJORKVTESA-N 0 3 387.484 -0.292 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](Nc3nc(NCCO)nc(NC(C)C)n3)[C@H]2C1 ZINC000579875242 1072225006 /nfs/dbraw/zinc/22/50/06/1072225006.db2.gz GEBLNKCRJVZNQC-KKUMJFAQSA-N 0 3 377.493 -0.579 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nc(NCCO)nc(NC(C)C)n3)[C@@H]2C1 ZINC000579875243 1072224993 /nfs/dbraw/zinc/22/49/93/1072224993.db2.gz GEBLNKCRJVZNQC-RRFJBIMHSA-N 0 3 377.493 -0.579 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nc(NCCO)nc(NC(C)C)n3)[C@H]2C1 ZINC000579875244 1072225356 /nfs/dbraw/zinc/22/53/56/1072225356.db2.gz GEBLNKCRJVZNQC-SOUVJXGZSA-N 0 3 377.493 -0.579 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](Nc3nc(NCCO)nc(NC(C)C)n3)[C@@H]2C1 ZINC000579875245 1072225259 /nfs/dbraw/zinc/22/52/59/1072225259.db2.gz GEBLNKCRJVZNQC-ZNMIVQPWSA-N 0 3 377.493 -0.579 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2nnn(-c3cnn(C)c3)c2C)CC1 ZINC000579914782 1072298232 /nfs/dbraw/zinc/29/82/32/1072298232.db2.gz NBWVMTKEQWMTOS-UHFFFAOYSA-N 0 3 388.476 -0.065 20 0 GBADHN COC(=O)[C@H]1CSCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000579926489 1072300563 /nfs/dbraw/zinc/30/05/63/1072300563.db2.gz BSWAACWOHFBCGI-LLVKDONJSA-N 0 3 381.458 -0.728 20 0 GBADHN COC(=O)[C@@H]1CSCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000579926490 1072300867 /nfs/dbraw/zinc/30/08/67/1072300867.db2.gz BSWAACWOHFBCGI-NSHDSACASA-N 0 3 381.458 -0.728 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000579947573 1072322948 /nfs/dbraw/zinc/32/29/48/1072322948.db2.gz TWFXGNRSMKJHCS-AWEZNQCLSA-N 0 3 377.445 -0.483 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000579947574 1072323528 /nfs/dbraw/zinc/32/35/28/1072323528.db2.gz TWFXGNRSMKJHCS-CQSZACIVSA-N 0 3 377.445 -0.483 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973205 1072335162 /nfs/dbraw/zinc/33/51/62/1072335162.db2.gz WLYGDXZKJQXUBE-DLBZAZTESA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973211 1072335375 /nfs/dbraw/zinc/33/53/75/1072335375.db2.gz WLYGDXZKJQXUBE-IAGOWNOFSA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973212 1072335648 /nfs/dbraw/zinc/33/56/48/1072335648.db2.gz WLYGDXZKJQXUBE-IRXDYDNUSA-N 0 3 375.448 -0.282 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973213 1072335684 /nfs/dbraw/zinc/33/56/84/1072335684.db2.gz WLYGDXZKJQXUBE-SJORKVTESA-N 0 3 375.448 -0.282 20 0 GBADHN COCCN(C)C[C@@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974671 530102626 /nfs/dbraw/zinc/10/26/26/530102626.db2.gz SKEXSFYJPKTDNS-CVEARBPZSA-N 0 3 379.523 -0.948 20 0 GBADHN COCCN(C)C[C@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974672 530102531 /nfs/dbraw/zinc/10/25/31/530102531.db2.gz SKEXSFYJPKTDNS-HOTGVXAUSA-N 0 3 379.523 -0.948 20 0 GBADHN COCCN(C)C[C@@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974673 530102523 /nfs/dbraw/zinc/10/25/23/530102523.db2.gz SKEXSFYJPKTDNS-HZPDHXFCSA-N 0 3 379.523 -0.948 20 0 GBADHN COCCN(C)C[C@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974674 530102782 /nfs/dbraw/zinc/10/27/82/530102782.db2.gz SKEXSFYJPKTDNS-JKSUJKDBSA-N 0 3 379.523 -0.948 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@@H](C)C1 ZINC000580001741 1072346198 /nfs/dbraw/zinc/34/61/98/1072346198.db2.gz RPDBBCMFZGKFKG-QLFBSQMISA-N 0 3 380.489 -0.176 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@H](C)C1 ZINC000580001742 1072345808 /nfs/dbraw/zinc/34/58/08/1072345808.db2.gz RPDBBCMFZGKFKG-RBSFLKMASA-N 0 3 380.489 -0.176 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H](C)C1 ZINC000580001743 1072345952 /nfs/dbraw/zinc/34/59/52/1072345952.db2.gz RPDBBCMFZGKFKG-RRFJBIMHSA-N 0 3 380.489 -0.176 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@@H](C)C1 ZINC000580001744 1072345857 /nfs/dbraw/zinc/34/58/57/1072345857.db2.gz RPDBBCMFZGKFKG-SOUVJXGZSA-N 0 3 380.489 -0.176 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C)C[C@H]2CN)s1 ZINC000580053077 530126067 /nfs/dbraw/zinc/12/60/67/530126067.db2.gz VGSQJYMFNHVDJF-GFCCVEGCSA-N 0 3 375.520 -0.381 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C)C[C@@H]2CN)s1 ZINC000580053078 530126088 /nfs/dbraw/zinc/12/60/88/530126088.db2.gz VGSQJYMFNHVDJF-LBPRGKRZSA-N 0 3 375.520 -0.381 20 0 GBADHN CC(C)N(CCCNC(=O)CN[C@@H](CO)C1CCOCC1)S(C)(=O)=O ZINC000580058968 530126455 /nfs/dbraw/zinc/12/64/55/530126455.db2.gz LKLAKRWOAURZIE-HNNXBMFYSA-N 0 3 379.523 -0.460 20 0 GBADHN CC(C)N(CCCNC(=O)CN[C@H](CO)C1CCOCC1)S(C)(=O)=O ZINC000580058969 530126226 /nfs/dbraw/zinc/12/62/26/530126226.db2.gz LKLAKRWOAURZIE-OAHLLOKOSA-N 0 3 379.523 -0.460 20 0 GBADHN CO[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H](C[NH3+])C1 ZINC000580076173 530126961 /nfs/dbraw/zinc/12/69/61/530126961.db2.gz VRWXTRHZOIDLMF-BDAKNGLRSA-N 0 3 375.223 -0.324 20 0 GBADHN CO[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H](C[NH3+])C1 ZINC000580076174 530127257 /nfs/dbraw/zinc/12/72/57/530127257.db2.gz VRWXTRHZOIDLMF-DTWKUNHWSA-N 0 3 375.223 -0.324 20 0 GBADHN CO[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H](C[NH3+])C1 ZINC000580076175 530127026 /nfs/dbraw/zinc/12/70/26/530127026.db2.gz VRWXTRHZOIDLMF-IUCAKERBSA-N 0 3 375.223 -0.324 20 0 GBADHN CO[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H](C[NH3+])C1 ZINC000580076176 530126869 /nfs/dbraw/zinc/12/68/69/530126869.db2.gz VRWXTRHZOIDLMF-RKDXNWHRSA-N 0 3 375.223 -0.324 20 0 GBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000580081889 1072419210 /nfs/dbraw/zinc/41/92/10/1072419210.db2.gz HSWWVDVNJHLOJX-INIZCTEOSA-N 0 3 381.521 -0.354 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000580081890 1072419275 /nfs/dbraw/zinc/41/92/75/1072419275.db2.gz HSWWVDVNJHLOJX-MRXNPFEDSA-N 0 3 381.521 -0.354 20 0 GBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000580083347 1072419956 /nfs/dbraw/zinc/41/99/56/1072419956.db2.gz POEGGIMDHVMHKG-CYBMUJFWSA-N 0 3 377.445 -0.491 20 0 GBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000580083348 1072420218 /nfs/dbraw/zinc/42/02/18/1072420218.db2.gz POEGGIMDHVMHKG-ZDUSSCGKSA-N 0 3 377.445 -0.491 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000580090464 1072419920 /nfs/dbraw/zinc/41/99/20/1072419920.db2.gz BOOSPUZKHKUSDN-UHFFFAOYSA-N 0 3 375.429 -0.605 20 0 GBADHN Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)nn1 ZINC000580096880 1072421072 /nfs/dbraw/zinc/42/10/72/1072421072.db2.gz RXFYNIQIOJNZPI-KBPBESRZSA-N 0 3 383.412 -0.809 20 0 GBADHN Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)nn1 ZINC000580096881 1072420956 /nfs/dbraw/zinc/42/09/56/1072420956.db2.gz RXFYNIQIOJNZPI-KGLIPLIRSA-N 0 3 383.412 -0.809 20 0 GBADHN Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)nn1 ZINC000580096882 1072421112 /nfs/dbraw/zinc/42/11/12/1072421112.db2.gz RXFYNIQIOJNZPI-UONOGXRCSA-N 0 3 383.412 -0.809 20 0 GBADHN Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)nn1 ZINC000580096883 1072420817 /nfs/dbraw/zinc/42/08/17/1072420817.db2.gz RXFYNIQIOJNZPI-ZIAGYGMSSA-N 0 3 383.412 -0.809 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000580097883 1072421890 /nfs/dbraw/zinc/42/18/90/1072421890.db2.gz JBJNGUZKMNTHQB-DZGCQCFKSA-N 0 3 395.485 -0.610 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000580097884 1072421778 /nfs/dbraw/zinc/42/17/78/1072421778.db2.gz JBJNGUZKMNTHQB-HIFRSBDPSA-N 0 3 395.485 -0.610 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000580097885 1072421747 /nfs/dbraw/zinc/42/17/47/1072421747.db2.gz JBJNGUZKMNTHQB-UKRRQHHQSA-N 0 3 395.485 -0.610 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000580097886 1072421929 /nfs/dbraw/zinc/42/19/29/1072421929.db2.gz JBJNGUZKMNTHQB-ZFWWWQNUSA-N 0 3 395.485 -0.610 20 0 GBADHN CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ccccc21 ZINC000580097923 1072422002 /nfs/dbraw/zinc/42/20/02/1072422002.db2.gz MYAUANXEKAKWNT-BMFZPTHFSA-N 0 3 399.451 -0.629 20 0 GBADHN CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ccccc21 ZINC000580097924 1072421802 /nfs/dbraw/zinc/42/18/02/1072421802.db2.gz MYAUANXEKAKWNT-BPUTZDHNSA-N 0 3 399.451 -0.629 20 0 GBADHN CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ccccc21 ZINC000580097925 1072421732 /nfs/dbraw/zinc/42/17/32/1072421732.db2.gz MYAUANXEKAKWNT-IMJJTQAJSA-N 0 3 399.451 -0.629 20 0 GBADHN CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ccccc21 ZINC000580097926 1072421688 /nfs/dbraw/zinc/42/16/88/1072421688.db2.gz MYAUANXEKAKWNT-KBMXLJTQSA-N 0 3 399.451 -0.629 20 0 GBADHN Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C ZINC000580097980 1072421554 /nfs/dbraw/zinc/42/15/54/1072421554.db2.gz RWRHPPVEMYMJLB-CVEARBPZSA-N 0 3 388.468 -0.041 20 0 GBADHN Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C ZINC000580097981 1072421910 /nfs/dbraw/zinc/42/19/10/1072421910.db2.gz RWRHPPVEMYMJLB-HOTGVXAUSA-N 0 3 388.468 -0.041 20 0 GBADHN Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C ZINC000580097982 1072421991 /nfs/dbraw/zinc/42/19/91/1072421991.db2.gz RWRHPPVEMYMJLB-HZPDHXFCSA-N 0 3 388.468 -0.041 20 0 GBADHN Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C ZINC000580097983 1072421563 /nfs/dbraw/zinc/42/15/63/1072421563.db2.gz RWRHPPVEMYMJLB-JKSUJKDBSA-N 0 3 388.468 -0.041 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 ZINC000580104918 1072422496 /nfs/dbraw/zinc/42/24/96/1072422496.db2.gz JZEVAVIMJLTLGW-UHFFFAOYSA-N 0 3 392.504 -0.208 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2=O)cn1 ZINC000580130568 1072424666 /nfs/dbraw/zinc/42/46/66/1072424666.db2.gz ZOSAUCIRMGUDED-HNNXBMFYSA-N 0 3 390.488 -0.168 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2=O)cn1 ZINC000580130569 1072424506 /nfs/dbraw/zinc/42/45/06/1072424506.db2.gz ZOSAUCIRMGUDED-OAHLLOKOSA-N 0 3 390.488 -0.168 20 0 GBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000580136612 1072426124 /nfs/dbraw/zinc/42/61/24/1072426124.db2.gz GFDSMQDPXBLMRS-UHFFFAOYSA-N 0 3 394.428 -0.645 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccnc3N3CCCCC3)CCN2C1=O ZINC000580213958 1072436949 /nfs/dbraw/zinc/43/69/49/1072436949.db2.gz GSUZTFAYWFUBKF-KBPBESRZSA-N 0 3 386.456 -0.219 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3N3CCCCC3)CCN2C1=O ZINC000580213959 1072436593 /nfs/dbraw/zinc/43/65/93/1072436593.db2.gz GSUZTFAYWFUBKF-KGLIPLIRSA-N 0 3 386.456 -0.219 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccnc3N3CCCCC3)CCN2C1=O ZINC000580213962 1072437277 /nfs/dbraw/zinc/43/72/77/1072437277.db2.gz GSUZTFAYWFUBKF-UONOGXRCSA-N 0 3 386.456 -0.219 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3N3CCCCC3)CCN2C1=O ZINC000580213963 1072437037 /nfs/dbraw/zinc/43/70/37/1072437037.db2.gz GSUZTFAYWFUBKF-ZIAGYGMSSA-N 0 3 386.456 -0.219 20 0 GBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000580214271 1072437021 /nfs/dbraw/zinc/43/70/21/1072437021.db2.gz PVCWLXCNHJEFDK-CABCVRRESA-N 0 3 387.440 -0.466 20 0 GBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000580214272 1072437176 /nfs/dbraw/zinc/43/71/76/1072437176.db2.gz PVCWLXCNHJEFDK-GJZGRUSLSA-N 0 3 387.440 -0.466 20 0 GBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000580214273 1072437239 /nfs/dbraw/zinc/43/72/39/1072437239.db2.gz PVCWLXCNHJEFDK-HUUCEWRRSA-N 0 3 387.440 -0.466 20 0 GBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000580214274 1072437255 /nfs/dbraw/zinc/43/72/55/1072437255.db2.gz PVCWLXCNHJEFDK-LSDHHAIUSA-N 0 3 387.440 -0.466 20 0 GBADHN Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc(C3CC3)nc21 ZINC000580214509 1072436975 /nfs/dbraw/zinc/43/69/75/1072436975.db2.gz YAMCIQFLDZWYHZ-CMPLNLGQSA-N 0 3 398.423 -0.705 20 0 GBADHN Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc(C3CC3)nc21 ZINC000580214510 1072437108 /nfs/dbraw/zinc/43/71/08/1072437108.db2.gz YAMCIQFLDZWYHZ-JQWIXIFHSA-N 0 3 398.423 -0.705 20 0 GBADHN Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc(C3CC3)nc21 ZINC000580214511 1072436792 /nfs/dbraw/zinc/43/67/92/1072436792.db2.gz YAMCIQFLDZWYHZ-PWSUYJOCSA-N 0 3 398.423 -0.705 20 0 GBADHN Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc(C3CC3)nc21 ZINC000580214512 1072437187 /nfs/dbraw/zinc/43/71/87/1072437187.db2.gz YAMCIQFLDZWYHZ-ZYHUDNBSSA-N 0 3 398.423 -0.705 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000580216780 1072437246 /nfs/dbraw/zinc/43/72/46/1072437246.db2.gz HUTKOHAGORZCQM-IPYPFGDCSA-N 0 3 380.470 -0.568 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000580216781 1072437006 /nfs/dbraw/zinc/43/70/06/1072437006.db2.gz HUTKOHAGORZCQM-NFAWXSAZSA-N 0 3 380.470 -0.568 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000580216782 1072436845 /nfs/dbraw/zinc/43/68/45/1072436845.db2.gz HUTKOHAGORZCQM-UMVBOHGHSA-N 0 3 380.470 -0.568 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000580216783 1072436718 /nfs/dbraw/zinc/43/67/18/1072436718.db2.gz HUTKOHAGORZCQM-VNHYZAJKSA-N 0 3 380.470 -0.568 20 0 GBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000580217886 1072436636 /nfs/dbraw/zinc/43/66/36/1072436636.db2.gz HPKKNAHNNKZHBI-IHRRRGAJSA-N 0 3 389.460 -0.648 20 0 GBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000580217887 1072436751 /nfs/dbraw/zinc/43/67/51/1072436751.db2.gz HPKKNAHNNKZHBI-MCIONIFRSA-N 0 3 389.460 -0.648 20 0 GBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000580217888 1072437067 /nfs/dbraw/zinc/43/70/67/1072437067.db2.gz HPKKNAHNNKZHBI-MJBXVCDLSA-N 0 3 389.460 -0.648 20 0 GBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000580217889 1072437199 /nfs/dbraw/zinc/43/71/99/1072437199.db2.gz HPKKNAHNNKZHBI-RDBSUJKOSA-N 0 3 389.460 -0.648 20 0 GBADHN COc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(S(C)(=O)=O)c1 ZINC000580218182 1072438034 /nfs/dbraw/zinc/43/80/34/1072438034.db2.gz VFMWITFVPOSJJU-CMPLNLGQSA-N 0 3 382.442 -0.126 20 0 GBADHN COc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(S(C)(=O)=O)c1 ZINC000580218183 1072437720 /nfs/dbraw/zinc/43/77/20/1072437720.db2.gz VFMWITFVPOSJJU-JQWIXIFHSA-N 0 3 382.442 -0.126 20 0 GBADHN COc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(S(C)(=O)=O)c1 ZINC000580218184 1072437794 /nfs/dbraw/zinc/43/77/94/1072437794.db2.gz VFMWITFVPOSJJU-PWSUYJOCSA-N 0 3 382.442 -0.126 20 0 GBADHN COc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(S(C)(=O)=O)c1 ZINC000580218185 1072437599 /nfs/dbraw/zinc/43/75/99/1072437599.db2.gz VFMWITFVPOSJJU-ZYHUDNBSSA-N 0 3 382.442 -0.126 20 0 GBADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000580300493 530134726 /nfs/dbraw/zinc/13/47/26/530134726.db2.gz URXCTBHTTAUJKZ-HNNXBMFYSA-N 0 3 375.539 -0.279 20 0 GBADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000580300494 530134851 /nfs/dbraw/zinc/13/48/51/530134851.db2.gz URXCTBHTTAUJKZ-OAHLLOKOSA-N 0 3 375.539 -0.279 20 0 GBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306851 1072442503 /nfs/dbraw/zinc/44/25/03/1072442503.db2.gz HZKGKKCUJFATKY-INIZCTEOSA-N 0 3 381.521 -0.051 20 0 GBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306852 1072442253 /nfs/dbraw/zinc/44/22/53/1072442253.db2.gz HZKGKKCUJFATKY-MRXNPFEDSA-N 0 3 381.521 -0.051 20 0 GBADHN CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000580329329 1073285589 /nfs/dbraw/zinc/28/55/89/1073285589.db2.gz TZDFMRUNBKZYDI-CABCVRRESA-N 0 3 376.457 -0.046 20 0 GBADHN CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000580329330 1072445678 /nfs/dbraw/zinc/44/56/78/1072445678.db2.gz TZDFMRUNBKZYDI-GJZGRUSLSA-N 0 3 376.457 -0.046 20 0 GBADHN CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000580329331 1072445423 /nfs/dbraw/zinc/44/54/23/1072445423.db2.gz TZDFMRUNBKZYDI-HUUCEWRRSA-N 0 3 376.457 -0.046 20 0 GBADHN CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000580329332 1072445747 /nfs/dbraw/zinc/44/57/47/1072445747.db2.gz TZDFMRUNBKZYDI-LSDHHAIUSA-N 0 3 376.457 -0.046 20 0 GBADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580330518 1072445772 /nfs/dbraw/zinc/44/57/72/1072445772.db2.gz MCQCSAQBAQFRGH-CHWSQXEVSA-N 0 3 382.442 -0.414 20 0 GBADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580330519 1072445555 /nfs/dbraw/zinc/44/55/55/1072445555.db2.gz MCQCSAQBAQFRGH-OLZOCXBDSA-N 0 3 382.442 -0.414 20 0 GBADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580330520 1073288781 /nfs/dbraw/zinc/28/87/81/1073288781.db2.gz MCQCSAQBAQFRGH-QWHCGFSZSA-N 0 3 382.442 -0.414 20 0 GBADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580330521 1072445866 /nfs/dbraw/zinc/44/58/66/1072445866.db2.gz MCQCSAQBAQFRGH-STQMWFEESA-N 0 3 382.442 -0.414 20 0 GBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCn4nncc4C3)cc21 ZINC000580343461 1072448476 /nfs/dbraw/zinc/44/84/76/1072448476.db2.gz POSAIQJFSJYDBE-UHFFFAOYSA-N 0 3 399.411 -0.272 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000580349239 1072451271 /nfs/dbraw/zinc/45/12/71/1072451271.db2.gz XCCPVNDXZANXCT-HNNXBMFYSA-N 0 3 382.509 -0.062 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000580349240 1072451218 /nfs/dbraw/zinc/45/12/18/1072451218.db2.gz XCCPVNDXZANXCT-OAHLLOKOSA-N 0 3 382.509 -0.062 20 0 GBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580360964 1072453445 /nfs/dbraw/zinc/45/34/45/1072453445.db2.gz HFHZFBPIKMFNSW-HUUCEWRRSA-N 0 3 388.534 -0.093 20 0 GBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580360968 1072453493 /nfs/dbraw/zinc/45/34/93/1072453493.db2.gz HFHZFBPIKMFNSW-LSDHHAIUSA-N 0 3 388.534 -0.093 20 0 GBADHN CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)Cc1ccc(F)cc1C ZINC000580431075 1072460555 /nfs/dbraw/zinc/46/05/55/1072460555.db2.gz CHBFWANURJIAIZ-GDBMZVCRSA-N 0 3 394.447 -0.740 20 0 GBADHN CNC(=O)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)Cc1ccc(F)cc1C ZINC000580431076 1072460934 /nfs/dbraw/zinc/46/09/34/1072460934.db2.gz CHBFWANURJIAIZ-GOEBONIOSA-N 0 3 394.447 -0.740 20 0 GBADHN CNC(=O)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)Cc1ccc(F)cc1C ZINC000580431077 1072460987 /nfs/dbraw/zinc/46/09/87/1072460987.db2.gz CHBFWANURJIAIZ-HOCLYGCPSA-N 0 3 394.447 -0.740 20 0 GBADHN CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)Cc1ccc(F)cc1C ZINC000580431078 1072460626 /nfs/dbraw/zinc/46/06/26/1072460626.db2.gz CHBFWANURJIAIZ-ZBFHGGJFSA-N 0 3 394.447 -0.740 20 0 GBADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000580443461 1072461963 /nfs/dbraw/zinc/46/19/63/1072461963.db2.gz WDEIXJRLEPDRSZ-AWEZNQCLSA-N 0 3 382.486 -0.737 20 0 GBADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000580443462 1072461914 /nfs/dbraw/zinc/46/19/14/1072461914.db2.gz WDEIXJRLEPDRSZ-CQSZACIVSA-N 0 3 382.486 -0.737 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452381 1072462795 /nfs/dbraw/zinc/46/27/95/1072462795.db2.gz SBILJIAAMWKAAH-MSOLQXFVSA-N 0 3 399.495 -0.217 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452382 1072462554 /nfs/dbraw/zinc/46/25/54/1072462554.db2.gz SBILJIAAMWKAAH-QZTJIDSGSA-N 0 3 399.495 -0.217 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452383 1072462627 /nfs/dbraw/zinc/46/26/27/1072462627.db2.gz SBILJIAAMWKAAH-ROUUACIJSA-N 0 3 399.495 -0.217 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452384 1072462690 /nfs/dbraw/zinc/46/26/90/1072462690.db2.gz SBILJIAAMWKAAH-ZWKOTPCHSA-N 0 3 399.495 -0.217 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)CN1CCN(C)CC1 ZINC000580458485 1072463461 /nfs/dbraw/zinc/46/34/61/1072463461.db2.gz RALQOAFGZZWPBN-BZUAXINKSA-N 0 3 379.505 -0.744 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)CN1CCN(C)CC1 ZINC000580458486 1072463569 /nfs/dbraw/zinc/46/35/69/1072463569.db2.gz RALQOAFGZZWPBN-OAGGEKHMSA-N 0 3 379.505 -0.744 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)CN1CCN(C)CC1 ZINC000580458487 1072463389 /nfs/dbraw/zinc/46/33/89/1072463389.db2.gz RALQOAFGZZWPBN-OWCLPIDISA-N 0 3 379.505 -0.744 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)CN1CCN(C)CC1 ZINC000580458488 1072463508 /nfs/dbraw/zinc/46/35/08/1072463508.db2.gz RALQOAFGZZWPBN-PMPSAXMXSA-N 0 3 379.505 -0.744 20 0 GBADHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000580523620 530509216 /nfs/dbraw/zinc/50/92/16/530509216.db2.gz IOJZOGCEJCGZRH-HNNXBMFYSA-N 0 3 396.579 -0.092 20 0 GBADHN O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000580548671 1072471291 /nfs/dbraw/zinc/47/12/91/1072471291.db2.gz CDGKDOSMDFDRKV-GFCCVEGCSA-N 0 3 390.412 -0.773 20 0 GBADHN O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000580548672 1072471215 /nfs/dbraw/zinc/47/12/15/1072471215.db2.gz CDGKDOSMDFDRKV-LBPRGKRZSA-N 0 3 390.412 -0.773 20 0 GBADHN CC(C)COCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000580562332 1072472838 /nfs/dbraw/zinc/47/28/38/1072472838.db2.gz YDHUDKMXSIYGFL-INIZCTEOSA-N 0 3 382.505 -0.070 20 0 GBADHN CC(C)COCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000580562333 1072473286 /nfs/dbraw/zinc/47/32/86/1072473286.db2.gz YDHUDKMXSIYGFL-MRXNPFEDSA-N 0 3 382.505 -0.070 20 0 GBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000580568325 1072473245 /nfs/dbraw/zinc/47/32/45/1072473245.db2.gz CSBDZFIKPVPFMG-GJZGRUSLSA-N 0 3 399.517 -0.439 20 0 GBADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1OC ZINC000580569443 530511642 /nfs/dbraw/zinc/51/16/42/530511642.db2.gz PTCPWFAEJPGRBR-LLVKDONJSA-N 0 3 390.893 -0.028 20 0 GBADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1OC ZINC000580569444 530511425 /nfs/dbraw/zinc/51/14/25/530511425.db2.gz PTCPWFAEJPGRBR-NSHDSACASA-N 0 3 390.893 -0.028 20 0 GBADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582902 1072473932 /nfs/dbraw/zinc/47/39/32/1072473932.db2.gz WKWSLVJLZVZRFT-KBXCAEBGSA-N 0 3 378.429 -0.508 20 0 GBADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582904 1072474255 /nfs/dbraw/zinc/47/42/55/1072474255.db2.gz WKWSLVJLZVZRFT-KDOFPFPSSA-N 0 3 378.429 -0.508 20 0 GBADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582905 1072473920 /nfs/dbraw/zinc/47/39/20/1072473920.db2.gz WKWSLVJLZVZRFT-KSSFIOAISA-N 0 3 378.429 -0.508 20 0 GBADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582906 1072473810 /nfs/dbraw/zinc/47/38/10/1072473810.db2.gz WKWSLVJLZVZRFT-RDTXWAMCSA-N 0 3 378.429 -0.508 20 0 GBADHN CS(=O)(=O)c1nccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000580583088 1072474106 /nfs/dbraw/zinc/47/41/06/1072474106.db2.gz UMXOEAONRAOGSL-UHFFFAOYSA-N 0 3 381.458 -0.740 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000580589294 1072474661 /nfs/dbraw/zinc/47/46/61/1072474661.db2.gz WGMZLNFLWOQCBI-MSOLQXFVSA-N 0 3 396.532 -0.075 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000580589295 1072474907 /nfs/dbraw/zinc/47/49/07/1072474907.db2.gz WGMZLNFLWOQCBI-QZTJIDSGSA-N 0 3 396.532 -0.075 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000580589296 1072475061 /nfs/dbraw/zinc/47/50/61/1072475061.db2.gz WGMZLNFLWOQCBI-ROUUACIJSA-N 0 3 396.532 -0.075 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000580589297 1072474747 /nfs/dbraw/zinc/47/47/47/1072474747.db2.gz WGMZLNFLWOQCBI-ZWKOTPCHSA-N 0 3 396.532 -0.075 20 0 GBADHN CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000580659215 1072479539 /nfs/dbraw/zinc/47/95/39/1072479539.db2.gz ITWJJCUYEWEFJA-CABCVRRESA-N 0 3 387.440 -0.465 20 0 GBADHN CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000580659216 1072479600 /nfs/dbraw/zinc/47/96/00/1072479600.db2.gz ITWJJCUYEWEFJA-GJZGRUSLSA-N 0 3 387.440 -0.465 20 0 GBADHN CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000580659220 1072479318 /nfs/dbraw/zinc/47/93/18/1072479318.db2.gz ITWJJCUYEWEFJA-HUUCEWRRSA-N 0 3 387.440 -0.465 20 0 GBADHN CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000580659222 1072479404 /nfs/dbraw/zinc/47/94/04/1072479404.db2.gz ITWJJCUYEWEFJA-LSDHHAIUSA-N 0 3 387.440 -0.465 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659312 530172609 /nfs/dbraw/zinc/17/26/09/530172609.db2.gz JFVRESOVKBJVHW-NXEZZACHSA-N 0 3 394.233 0.268 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659318 530172679 /nfs/dbraw/zinc/17/26/79/530172679.db2.gz JFVRESOVKBJVHW-UWVGGRQHSA-N 0 3 394.233 0.268 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659321 530172417 /nfs/dbraw/zinc/17/24/17/530172417.db2.gz JFVRESOVKBJVHW-VHSXEESVSA-N 0 3 394.233 0.268 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659325 530172969 /nfs/dbraw/zinc/17/29/69/530172969.db2.gz JFVRESOVKBJVHW-ZJUUUORDSA-N 0 3 394.233 0.268 20 0 GBADHN COC(=O)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000580669209 1072480527 /nfs/dbraw/zinc/48/05/27/1072480527.db2.gz AIRKJIDYRPDNIS-UHFFFAOYSA-N 0 3 396.488 -0.094 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000580725612 1072484018 /nfs/dbraw/zinc/48/40/18/1072484018.db2.gz CPRANSYVMKUKOJ-AEGPPILISA-N 0 3 397.439 -0.785 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000580725615 1072483859 /nfs/dbraw/zinc/48/38/59/1072483859.db2.gz CPRANSYVMKUKOJ-CFVMTHIKSA-N 0 3 397.439 -0.785 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000580725617 1072484144 /nfs/dbraw/zinc/48/41/44/1072484144.db2.gz CPRANSYVMKUKOJ-NWANDNLSSA-N 0 3 397.439 -0.785 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000580725618 1072483956 /nfs/dbraw/zinc/48/39/56/1072483956.db2.gz CPRANSYVMKUKOJ-QEJZJMRPSA-N 0 3 397.439 -0.785 20 0 GBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000580728565 1072483875 /nfs/dbraw/zinc/48/38/75/1072483875.db2.gz AFSIHSHRNALIOG-GOSISDBHSA-N 0 3 397.564 -0.445 20 0 GBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000580728566 1072483915 /nfs/dbraw/zinc/48/39/15/1072483915.db2.gz AFSIHSHRNALIOG-SFHVURJKSA-N 0 3 397.564 -0.445 20 0 GBADHN CN(CCCN(C)C(=O)CN1CCN(S(C)(=O)=O)CC1)Cc1ccncc1 ZINC000580778216 1072494936 /nfs/dbraw/zinc/49/49/36/1072494936.db2.gz SLKQQBFAWZGXDJ-UHFFFAOYSA-N 0 3 397.545 -0.061 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000580779136 1072494993 /nfs/dbraw/zinc/49/49/93/1072494993.db2.gz YATFATYJDSMCGY-CYBMUJFWSA-N 0 3 398.485 -0.155 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000580779137 1072495189 /nfs/dbraw/zinc/49/51/89/1072495189.db2.gz YATFATYJDSMCGY-ZDUSSCGKSA-N 0 3 398.485 -0.155 20 0 GBADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000580785386 1072496051 /nfs/dbraw/zinc/49/60/51/1072496051.db2.gz BVVPGQUZBCEIQU-CABCVRRESA-N 0 3 388.424 -0.499 20 0 GBADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000580785388 1072496285 /nfs/dbraw/zinc/49/62/85/1072496285.db2.gz BVVPGQUZBCEIQU-GJZGRUSLSA-N 0 3 388.424 -0.499 20 0 GBADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000580785389 1072495977 /nfs/dbraw/zinc/49/59/77/1072495977.db2.gz BVVPGQUZBCEIQU-HUUCEWRRSA-N 0 3 388.424 -0.499 20 0 GBADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000580785390 1072496374 /nfs/dbraw/zinc/49/63/74/1072496374.db2.gz BVVPGQUZBCEIQU-LSDHHAIUSA-N 0 3 388.424 -0.499 20 0 GBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1F ZINC000580785830 1072496224 /nfs/dbraw/zinc/49/62/24/1072496224.db2.gz PQUUVGVTVISENS-PSASIEDQSA-N 0 3 398.366 -0.309 20 0 GBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1F ZINC000580785831 1072496313 /nfs/dbraw/zinc/49/63/13/1072496313.db2.gz PQUUVGVTVISENS-SCZZXKLOSA-N 0 3 398.366 -0.309 20 0 GBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1F ZINC000580785832 1072496422 /nfs/dbraw/zinc/49/64/22/1072496422.db2.gz PQUUVGVTVISENS-WCBMZHEXSA-N 0 3 398.366 -0.309 20 0 GBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1F ZINC000580785833 1072497015 /nfs/dbraw/zinc/49/70/15/1072497015.db2.gz PQUUVGVTVISENS-WPRPVWTQSA-N 0 3 398.366 -0.309 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000580845349 1072507305 /nfs/dbraw/zinc/50/73/05/1072507305.db2.gz XFSCEPOJEXDDSC-MSOLQXFVSA-N 0 3 387.484 -0.299 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000580845353 1072506656 /nfs/dbraw/zinc/50/66/56/1072506656.db2.gz XFSCEPOJEXDDSC-QZTJIDSGSA-N 0 3 387.484 -0.299 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000580845354 1072506493 /nfs/dbraw/zinc/50/64/93/1072506493.db2.gz XFSCEPOJEXDDSC-ROUUACIJSA-N 0 3 387.484 -0.299 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000580845355 1072506857 /nfs/dbraw/zinc/50/68/57/1072506857.db2.gz XFSCEPOJEXDDSC-ZWKOTPCHSA-N 0 3 387.484 -0.299 20 0 GBADHN Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000580845607 1072507262 /nfs/dbraw/zinc/50/72/62/1072507262.db2.gz NPVIWOCKWSXIDF-UHFFFAOYSA-N 0 3 375.477 -0.205 20 0 GBADHN CCN1CC[C@H]2OCCN(C(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)[C@H]2C1 ZINC000580852349 1072507224 /nfs/dbraw/zinc/50/72/24/1072507224.db2.gz WORXZAVXUBJQDK-NWDGAFQWSA-N 0 3 390.444 -0.384 20 0 GBADHN Cn1nc2c(cc1=O)CN(C(=O)C(=O)N1CCc3ccccc3[C@@H]1CN)CC2 ZINC000580892280 1072509738 /nfs/dbraw/zinc/50/97/38/1072509738.db2.gz CMOAMXUOVOYBGS-KRWDZBQOSA-N 0 3 381.436 -0.250 20 0 GBADHN Cn1nc2c(cc1=O)CN(C(=O)C(=O)N1CCc3ccccc3[C@H]1CN)CC2 ZINC000580892282 1072509861 /nfs/dbraw/zinc/50/98/61/1072509861.db2.gz CMOAMXUOVOYBGS-QGZVFWFLSA-N 0 3 381.436 -0.250 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CCCC3=O)C2)CC1 ZINC000580900658 1072512132 /nfs/dbraw/zinc/51/21/32/1072512132.db2.gz RIUOOVRNAIHJAW-INIZCTEOSA-N 0 3 379.505 -0.648 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CCCC3=O)C2)CC1 ZINC000580900659 1072511907 /nfs/dbraw/zinc/51/19/07/1072511907.db2.gz RIUOOVRNAIHJAW-MRXNPFEDSA-N 0 3 379.505 -0.648 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C(=O)N(C)C ZINC000580902138 1072512472 /nfs/dbraw/zinc/51/24/72/1072512472.db2.gz BPHNIDWRPDBSMO-BXUZGUMPSA-N 0 3 396.469 -0.671 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C(=O)N(C)C ZINC000580902142 1072512329 /nfs/dbraw/zinc/51/23/29/1072512329.db2.gz BPHNIDWRPDBSMO-FZMZJTMJSA-N 0 3 396.469 -0.671 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C(=O)N(C)C ZINC000580902144 1072512161 /nfs/dbraw/zinc/51/21/61/1072512161.db2.gz BPHNIDWRPDBSMO-RISCZKNCSA-N 0 3 396.469 -0.671 20 0 GBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C(=O)N(C)C ZINC000580902146 1072510694 /nfs/dbraw/zinc/51/06/94/1072510694.db2.gz BPHNIDWRPDBSMO-SMDDNHRTSA-N 0 3 396.469 -0.671 20 0 GBADHN CNS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1F ZINC000580904205 1072512416 /nfs/dbraw/zinc/51/24/16/1072512416.db2.gz GWSRBHIHHIXZCN-CMPLNLGQSA-N 0 3 385.421 -0.491 20 0 GBADHN CNS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1F ZINC000580904206 1072511753 /nfs/dbraw/zinc/51/17/53/1072511753.db2.gz GWSRBHIHHIXZCN-JQWIXIFHSA-N 0 3 385.421 -0.491 20 0 GBADHN CNS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1F ZINC000580904207 1072512193 /nfs/dbraw/zinc/51/21/93/1072512193.db2.gz GWSRBHIHHIXZCN-PWSUYJOCSA-N 0 3 385.421 -0.491 20 0 GBADHN CNS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1F ZINC000580904208 1072512179 /nfs/dbraw/zinc/51/21/79/1072512179.db2.gz GWSRBHIHHIXZCN-ZYHUDNBSSA-N 0 3 385.421 -0.491 20 0 GBADHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580904412 1072511650 /nfs/dbraw/zinc/51/16/50/1072511650.db2.gz QXQNWXMIGJDVTE-ARFHVFGLSA-N 0 3 388.468 -0.043 20 0 GBADHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580904413 1072511671 /nfs/dbraw/zinc/51/16/71/1072511671.db2.gz QXQNWXMIGJDVTE-HRCADAONSA-N 0 3 388.468 -0.043 20 0 GBADHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580904414 1072512480 /nfs/dbraw/zinc/51/24/80/1072512480.db2.gz QXQNWXMIGJDVTE-JYJNAYRXSA-N 0 3 388.468 -0.043 20 0 GBADHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580904415 1072512220 /nfs/dbraw/zinc/51/22/20/1072512220.db2.gz QXQNWXMIGJDVTE-XHSDSOJGSA-N 0 3 388.468 -0.043 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C12CCCC2 ZINC000580904607 1072513544 /nfs/dbraw/zinc/51/35/44/1072513544.db2.gz ZNZKEDBZRGMEOR-APIJFGDWSA-N 0 3 378.473 -0.389 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C12CCCC2 ZINC000580904608 1072513655 /nfs/dbraw/zinc/51/36/55/1072513655.db2.gz ZNZKEDBZRGMEOR-CBBWQLFWSA-N 0 3 378.473 -0.389 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C12CCCC2 ZINC000580904609 1072513672 /nfs/dbraw/zinc/51/36/72/1072513672.db2.gz ZNZKEDBZRGMEOR-LJISPDSOSA-N 0 3 378.473 -0.389 20 0 GBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C12CCCC2 ZINC000580904610 1072513051 /nfs/dbraw/zinc/51/30/51/1072513051.db2.gz ZNZKEDBZRGMEOR-ZQDZILKHSA-N 0 3 378.473 -0.389 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)CC1=O ZINC000580908474 1072513178 /nfs/dbraw/zinc/51/31/78/1072513178.db2.gz RQCFASNYVRHLHF-AEFFLSMTSA-N 0 3 396.532 -0.075 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)CC1=O ZINC000580908480 1072513522 /nfs/dbraw/zinc/51/35/22/1072513522.db2.gz RQCFASNYVRHLHF-FUHWJXTLSA-N 0 3 396.532 -0.075 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)CC1=O ZINC000580908481 1072513124 /nfs/dbraw/zinc/51/31/24/1072513124.db2.gz RQCFASNYVRHLHF-SJLPKXTDSA-N 0 3 396.532 -0.075 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)CC1=O ZINC000580908482 1072514058 /nfs/dbraw/zinc/51/40/58/1072514058.db2.gz RQCFASNYVRHLHF-WMZOPIPTSA-N 0 3 396.532 -0.075 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000580908716 1072513940 /nfs/dbraw/zinc/51/39/40/1072513940.db2.gz GBAKUVJQTWEYOQ-BBWFWOEESA-N 0 3 384.521 -0.171 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000580908718 1072512839 /nfs/dbraw/zinc/51/28/39/1072512839.db2.gz GBAKUVJQTWEYOQ-BRWVUGGUSA-N 0 3 384.521 -0.171 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000580908720 1072513454 /nfs/dbraw/zinc/51/34/54/1072513454.db2.gz GBAKUVJQTWEYOQ-IXDOHACOSA-N 0 3 384.521 -0.171 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000580908721 1072513088 /nfs/dbraw/zinc/51/30/88/1072513088.db2.gz GBAKUVJQTWEYOQ-YESZJQIVSA-N 0 3 384.521 -0.171 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000580938488 1072520981 /nfs/dbraw/zinc/52/09/81/1072520981.db2.gz PQKOCKPVLMCQHV-INIZCTEOSA-N 0 3 392.500 -0.220 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000580938489 1072520218 /nfs/dbraw/zinc/52/02/18/1072520218.db2.gz PQKOCKPVLMCQHV-MRXNPFEDSA-N 0 3 392.500 -0.220 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000580950038 1072523505 /nfs/dbraw/zinc/52/35/05/1072523505.db2.gz GHEOIGMRWROAPI-INIZCTEOSA-N 0 3 394.447 -0.020 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000580950044 1072523125 /nfs/dbraw/zinc/52/31/25/1072523125.db2.gz GHEOIGMRWROAPI-MRXNPFEDSA-N 0 3 394.447 -0.020 20 0 GBADHN CN(C)CCn1ccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 ZINC000580963155 530103224 /nfs/dbraw/zinc/10/32/24/530103224.db2.gz WBGRJWGTCMEEAS-LLVKDONJSA-N 0 3 385.412 -0.003 20 0 GBADHN CN(C)CCn1ccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 ZINC000580963158 530103142 /nfs/dbraw/zinc/10/31/42/530103142.db2.gz WBGRJWGTCMEEAS-NSHDSACASA-N 0 3 385.412 -0.003 20 0 GBADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580963693 1072526351 /nfs/dbraw/zinc/52/63/51/1072526351.db2.gz RJCPNNWSWOEWOZ-QGPMSJSTSA-N 0 3 383.452 -0.015 20 0 GBADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580963695 1072525879 /nfs/dbraw/zinc/52/58/79/1072525879.db2.gz RJCPNNWSWOEWOZ-QILLFSRXSA-N 0 3 383.452 -0.015 20 0 GBADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580963697 1072526399 /nfs/dbraw/zinc/52/63/99/1072526399.db2.gz RJCPNNWSWOEWOZ-UWWQBHOKSA-N 0 3 383.452 -0.015 20 0 GBADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580963700 1072526184 /nfs/dbraw/zinc/52/61/84/1072526184.db2.gz RJCPNNWSWOEWOZ-YXJHDRRASA-N 0 3 383.452 -0.015 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000580964335 1072525591 /nfs/dbraw/zinc/52/55/91/1072525591.db2.gz ZTSHEMYFMXONFG-ILXRZTDVSA-N 0 3 394.859 -0.086 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000580964336 1072526506 /nfs/dbraw/zinc/52/65/06/1072526506.db2.gz ZTSHEMYFMXONFG-KFWWJZLASA-N 0 3 394.859 -0.086 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000580964337 1072525568 /nfs/dbraw/zinc/52/55/68/1072525568.db2.gz ZTSHEMYFMXONFG-KKUMJFAQSA-N 0 3 394.859 -0.086 20 0 GBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000580964338 1072525952 /nfs/dbraw/zinc/52/59/52/1072525952.db2.gz ZTSHEMYFMXONFG-ZNMIVQPWSA-N 0 3 394.859 -0.086 20 0 GBADHN CCN1CCN(CCC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000580983988 1072528273 /nfs/dbraw/zinc/52/82/73/1072528273.db2.gz DDXQIBZSTKVPAX-INIZCTEOSA-N 0 3 389.566 -0.209 20 0 GBADHN CCN1CCN(CCC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000580983992 1072528605 /nfs/dbraw/zinc/52/86/05/1072528605.db2.gz DDXQIBZSTKVPAX-MRXNPFEDSA-N 0 3 389.566 -0.209 20 0 GBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000580986680 1072529932 /nfs/dbraw/zinc/52/99/32/1072529932.db2.gz SNEUGQOSLQCSAK-UHFFFAOYSA-N 0 3 394.497 -0.140 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000581000496 1072531182 /nfs/dbraw/zinc/53/11/82/1072531182.db2.gz SANZPGBOYKEBLD-HNNXBMFYSA-N 0 3 387.488 -0.265 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000581000497 1072531232 /nfs/dbraw/zinc/53/12/32/1072531232.db2.gz SANZPGBOYKEBLD-OAHLLOKOSA-N 0 3 387.488 -0.265 20 0 GBADHN Cn1c(C(=O)NCCN2CCN(C)C(C)(C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000581050689 1072534145 /nfs/dbraw/zinc/53/41/45/1072534145.db2.gz LYJFDKAYRUZLEH-UHFFFAOYSA-N 0 3 390.488 -0.669 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC(CCO)CC2)CC1 ZINC000581117419 1072538821 /nfs/dbraw/zinc/53/88/21/1072538821.db2.gz CIKYGSYJLURXKI-UHFFFAOYSA-N 0 3 380.489 -0.626 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCOc2ccccc2)CC1 ZINC000581120024 1072538535 /nfs/dbraw/zinc/53/85/35/1072538535.db2.gz JDQFQDABXVHODH-UHFFFAOYSA-N 0 3 388.468 -0.052 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000581125999 1072539516 /nfs/dbraw/zinc/53/95/16/1072539516.db2.gz VQNFMKXXWMECDJ-IKGGRYGDSA-N 0 3 391.516 -0.506 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000581126002 1072539455 /nfs/dbraw/zinc/53/94/55/1072539455.db2.gz VQNFMKXXWMECDJ-ZACQAIPSSA-N 0 3 391.516 -0.506 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142219 1072541597 /nfs/dbraw/zinc/54/15/97/1072541597.db2.gz JPXPNDIHENFTQA-CHWSQXEVSA-N 0 3 389.412 -0.650 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142231 1072541525 /nfs/dbraw/zinc/54/15/25/1072541525.db2.gz JPXPNDIHENFTQA-OLZOCXBDSA-N 0 3 389.412 -0.650 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142232 1072541656 /nfs/dbraw/zinc/54/16/56/1072541656.db2.gz JPXPNDIHENFTQA-QWHCGFSZSA-N 0 3 389.412 -0.650 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142233 1072541325 /nfs/dbraw/zinc/54/13/25/1072541325.db2.gz JPXPNDIHENFTQA-STQMWFEESA-N 0 3 389.412 -0.650 20 0 GBADHN COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000581142921 1072541906 /nfs/dbraw/zinc/54/19/06/1072541906.db2.gz JIEYWYZPTKKQKZ-CABCVRRESA-N 0 3 388.424 -0.499 20 0 GBADHN COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000581142924 1072541607 /nfs/dbraw/zinc/54/16/07/1072541607.db2.gz JIEYWYZPTKKQKZ-GJZGRUSLSA-N 0 3 388.424 -0.499 20 0 GBADHN COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000581142925 1072541626 /nfs/dbraw/zinc/54/16/26/1072541626.db2.gz JIEYWYZPTKKQKZ-HUUCEWRRSA-N 0 3 388.424 -0.499 20 0 GBADHN COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000581142926 1072541933 /nfs/dbraw/zinc/54/19/33/1072541933.db2.gz JIEYWYZPTKKQKZ-LSDHHAIUSA-N 0 3 388.424 -0.499 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143451 1072541577 /nfs/dbraw/zinc/54/15/77/1072541577.db2.gz PHDQNCCXISDHNR-CMPLNLGQSA-N 0 3 381.820 -1.000 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143462 1072541833 /nfs/dbraw/zinc/54/18/33/1072541833.db2.gz PHDQNCCXISDHNR-JQWIXIFHSA-N 0 3 381.820 -1.000 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143467 1072541759 /nfs/dbraw/zinc/54/17/59/1072541759.db2.gz PHDQNCCXISDHNR-PWSUYJOCSA-N 0 3 381.820 -1.000 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143468 1072541480 /nfs/dbraw/zinc/54/14/80/1072541480.db2.gz PHDQNCCXISDHNR-ZYHUDNBSSA-N 0 3 381.820 -1.000 20 0 GBADHN CN1CCN(CCNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CC1(C)C ZINC000581144083 1072541616 /nfs/dbraw/zinc/54/16/16/1072541616.db2.gz ANPFTRVKFJOIFL-UHFFFAOYSA-N 0 3 393.532 -0.401 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190632 1072545658 /nfs/dbraw/zinc/54/56/58/1072545658.db2.gz UNEOCSPNRZQGOV-BBRMVZONSA-N 0 3 387.440 -0.359 20 0 GBADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190633 1072545346 /nfs/dbraw/zinc/54/53/46/1072545346.db2.gz UNEOCSPNRZQGOV-CJNGLKHVSA-N 0 3 387.440 -0.359 20 0 GBADHN O=C(NC[C@H]1CNCCO1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190634 1072545317 /nfs/dbraw/zinc/54/53/17/1072545317.db2.gz UNEOCSPNRZQGOV-CZUORRHYSA-N 0 3 387.440 -0.359 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190635 1072545231 /nfs/dbraw/zinc/54/52/31/1072545231.db2.gz UNEOCSPNRZQGOV-XJKSGUPXSA-N 0 3 387.440 -0.359 20 0 GBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccco1 ZINC000581202186 1072545545 /nfs/dbraw/zinc/54/55/45/1072545545.db2.gz KDBQWCCOIOSKDB-QLFBSQMISA-N 0 3 391.472 -0.451 20 0 GBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccco1 ZINC000581202192 1072545180 /nfs/dbraw/zinc/54/51/80/1072545180.db2.gz KDBQWCCOIOSKDB-RBSFLKMASA-N 0 3 391.472 -0.451 20 0 GBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccco1 ZINC000581202193 1072545835 /nfs/dbraw/zinc/54/58/35/1072545835.db2.gz KDBQWCCOIOSKDB-RRFJBIMHSA-N 0 3 391.472 -0.451 20 0 GBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccco1 ZINC000581202194 1072545516 /nfs/dbraw/zinc/54/55/16/1072545516.db2.gz KDBQWCCOIOSKDB-SOUVJXGZSA-N 0 3 391.472 -0.451 20 0 GBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581202928 1072545678 /nfs/dbraw/zinc/54/56/78/1072545678.db2.gz ZFUROABZEBVDGN-KBPBESRZSA-N 0 3 384.440 -0.769 20 0 GBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581202929 1072545136 /nfs/dbraw/zinc/54/51/36/1072545136.db2.gz ZFUROABZEBVDGN-KGLIPLIRSA-N 0 3 384.440 -0.769 20 0 GBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581202930 1072545806 /nfs/dbraw/zinc/54/58/06/1072545806.db2.gz ZFUROABZEBVDGN-UONOGXRCSA-N 0 3 384.440 -0.769 20 0 GBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581202931 1072546211 /nfs/dbraw/zinc/54/62/11/1072546211.db2.gz ZFUROABZEBVDGN-ZIAGYGMSSA-N 0 3 384.440 -0.769 20 0 GBADHN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCN1C(=O)c1cnn(C)c1 ZINC000581235011 1072552144 /nfs/dbraw/zinc/55/21/44/1072552144.db2.gz DIEIOKODVXLARU-GJZGRUSLSA-N 0 3 390.488 -0.497 20 0 GBADHN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCN1C(=O)c1cnn(C)c1 ZINC000581235012 1072552511 /nfs/dbraw/zinc/55/25/11/1072552511.db2.gz DIEIOKODVXLARU-LSDHHAIUSA-N 0 3 390.488 -0.497 20 0 GBADHN Cc1oc(C(=O)[N-]c2nc(N3CC[NH2+]CC3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000581249983 1072554351 /nfs/dbraw/zinc/55/43/51/1072554351.db2.gz QSFAYKMKKDOJTN-UHFFFAOYSA-N 0 3 383.434 -0.382 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000581251634 1072555251 /nfs/dbraw/zinc/55/52/51/1072555251.db2.gz YYBIDAVQEOJJRH-INIZCTEOSA-N 0 3 389.504 -0.415 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000581251635 1072555309 /nfs/dbraw/zinc/55/53/09/1072555309.db2.gz YYBIDAVQEOJJRH-MRXNPFEDSA-N 0 3 389.504 -0.415 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261397 1072556100 /nfs/dbraw/zinc/55/61/00/1072556100.db2.gz KKEWZRQCORJRAC-CVEARBPZSA-N 0 3 379.505 -0.025 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCC3(N4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261401 1072556399 /nfs/dbraw/zinc/55/63/99/1072556399.db2.gz KKEWZRQCORJRAC-HOTGVXAUSA-N 0 3 379.505 -0.025 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261403 1072556222 /nfs/dbraw/zinc/55/62/22/1072556222.db2.gz KKEWZRQCORJRAC-HZPDHXFCSA-N 0 3 379.505 -0.025 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCC3(N4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261405 1072556012 /nfs/dbraw/zinc/55/60/12/1072556012.db2.gz KKEWZRQCORJRAC-JKSUJKDBSA-N 0 3 379.505 -0.025 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3c(F)cccc3F)CCN2C1=O ZINC000581262399 1072556493 /nfs/dbraw/zinc/55/64/93/1072556493.db2.gz VAPUKTWBSLOTKK-GWCFXTLKSA-N 0 3 381.383 -0.352 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3c(F)cccc3F)CCN2C1=O ZINC000581262406 1072556194 /nfs/dbraw/zinc/55/61/94/1072556194.db2.gz VAPUKTWBSLOTKK-GXFFZTMASA-N 0 3 381.383 -0.352 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3c(F)cccc3F)CCN2C1=O ZINC000581262409 1072556137 /nfs/dbraw/zinc/55/61/37/1072556137.db2.gz VAPUKTWBSLOTKK-MFKMUULPSA-N 0 3 381.383 -0.352 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3c(F)cccc3F)CCN2C1=O ZINC000581262411 1072556449 /nfs/dbraw/zinc/55/64/49/1072556449.db2.gz VAPUKTWBSLOTKK-ZWNOBZJWSA-N 0 3 381.383 -0.352 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCN1CCCCC1=O ZINC000581301921 1072561193 /nfs/dbraw/zinc/56/11/93/1072561193.db2.gz LPYOXJJSLYLRAA-UHFFFAOYSA-N 0 3 381.521 -0.399 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000581302779 1072561790 /nfs/dbraw/zinc/56/17/90/1072561790.db2.gz NDBJAGOFRIYWGE-BBWFWOEESA-N 0 3 392.500 -0.175 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000581302780 1072561229 /nfs/dbraw/zinc/56/12/29/1072561229.db2.gz NDBJAGOFRIYWGE-BRWVUGGUSA-N 0 3 392.500 -0.175 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000581302781 1072561592 /nfs/dbraw/zinc/56/15/92/1072561592.db2.gz NDBJAGOFRIYWGE-GVDBMIGSSA-N 0 3 392.500 -0.175 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000581302782 1072561411 /nfs/dbraw/zinc/56/14/11/1072561411.db2.gz NDBJAGOFRIYWGE-ZACQAIPSSA-N 0 3 392.500 -0.175 20 0 GBADHN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000581321257 1072565631 /nfs/dbraw/zinc/56/56/31/1072565631.db2.gz DGDIOWADJCOPPS-DZGCQCFKSA-N 0 3 380.470 -0.289 20 0 GBADHN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000581321258 1072565152 /nfs/dbraw/zinc/56/51/52/1072565152.db2.gz DGDIOWADJCOPPS-HIFRSBDPSA-N 0 3 380.470 -0.289 20 0 GBADHN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000581321259 1072565612 /nfs/dbraw/zinc/56/56/12/1072565612.db2.gz DGDIOWADJCOPPS-UKRRQHHQSA-N 0 3 380.470 -0.289 20 0 GBADHN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000581321260 1072565562 /nfs/dbraw/zinc/56/55/62/1072565562.db2.gz DGDIOWADJCOPPS-ZFWWWQNUSA-N 0 3 380.470 -0.289 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321759 1072565131 /nfs/dbraw/zinc/56/51/31/1072565131.db2.gz YAICMBIGNOJROV-ARFHVFGLSA-N 0 3 398.529 -0.259 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321760 1072565525 /nfs/dbraw/zinc/56/55/25/1072565525.db2.gz YAICMBIGNOJROV-BZUAXINKSA-N 0 3 398.529 -0.259 20 0 GBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321761 1072565323 /nfs/dbraw/zinc/56/53/23/1072565323.db2.gz YAICMBIGNOJROV-HRCADAONSA-N 0 3 398.529 -0.259 20 0 GBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321762 1072564899 /nfs/dbraw/zinc/56/48/99/1072564899.db2.gz YAICMBIGNOJROV-OWCLPIDISA-N 0 3 398.529 -0.259 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Oc1ccccc1F ZINC000581321991 1072565352 /nfs/dbraw/zinc/56/53/52/1072565352.db2.gz FXNHNOFVOIVYME-BZPMIXESSA-N 0 3 378.404 -0.520 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Oc1ccccc1F ZINC000581321992 1072564986 /nfs/dbraw/zinc/56/49/86/1072564986.db2.gz FXNHNOFVOIVYME-DYEKYZERSA-N 0 3 378.404 -0.520 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Oc1ccccc1F ZINC000581321993 1072565655 /nfs/dbraw/zinc/56/56/55/1072565655.db2.gz FXNHNOFVOIVYME-MBNYWOFBSA-N 0 3 378.404 -0.520 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Oc1ccccc1F ZINC000581321994 1072565722 /nfs/dbraw/zinc/56/57/22/1072565722.db2.gz FXNHNOFVOIVYME-YRGRVCCFSA-N 0 3 378.404 -0.520 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322177 1072566266 /nfs/dbraw/zinc/56/62/66/1072566266.db2.gz NXARYOACHTWFLG-KYOSRNDESA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322178 1072566758 /nfs/dbraw/zinc/56/67/58/1072566758.db2.gz NXARYOACHTWFLG-OSAQELSMSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322179 1072566510 /nfs/dbraw/zinc/56/65/10/1072566510.db2.gz NXARYOACHTWFLG-UXIGCNINSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322180 1072566232 /nfs/dbraw/zinc/56/62/32/1072566232.db2.gz NXARYOACHTWFLG-ZLDLUXBVSA-N 0 3 394.859 -0.006 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322467 1072565478 /nfs/dbraw/zinc/56/54/78/1072565478.db2.gz ZUKRDDSUDZZNOU-KBPBESRZSA-N 0 3 384.440 -0.687 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322468 1072566700 /nfs/dbraw/zinc/56/67/00/1072566700.db2.gz ZUKRDDSUDZZNOU-KGLIPLIRSA-N 0 3 384.440 -0.687 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322469 1072566615 /nfs/dbraw/zinc/56/66/15/1072566615.db2.gz ZUKRDDSUDZZNOU-UONOGXRCSA-N 0 3 384.440 -0.687 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322470 1072566135 /nfs/dbraw/zinc/56/61/35/1072566135.db2.gz ZUKRDDSUDZZNOU-ZIAGYGMSSA-N 0 3 384.440 -0.687 20 0 GBADHN O=C(CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1)NC1CC1 ZINC000581356027 1072570327 /nfs/dbraw/zinc/57/03/27/1072570327.db2.gz URZWFVOLOLCDGS-INIZCTEOSA-N 0 3 377.489 -0.894 20 0 GBADHN O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1)NC1CC1 ZINC000581356028 1072570645 /nfs/dbraw/zinc/57/06/45/1072570645.db2.gz URZWFVOLOLCDGS-MRXNPFEDSA-N 0 3 377.489 -0.894 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000581357292 1072570669 /nfs/dbraw/zinc/57/06/69/1072570669.db2.gz GDHCXGYHIQDPHY-INIZCTEOSA-N 0 3 382.505 -0.511 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000581357293 1072570701 /nfs/dbraw/zinc/57/07/01/1072570701.db2.gz GDHCXGYHIQDPHY-MRXNPFEDSA-N 0 3 382.505 -0.511 20 0 GBADHN CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000581360187 530103921 /nfs/dbraw/zinc/10/39/21/530103921.db2.gz YKGGWGSJGGZMJV-CYBMUJFWSA-N 0 3 376.523 -0.156 20 0 GBADHN CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000581360188 530103746 /nfs/dbraw/zinc/10/37/46/530103746.db2.gz YKGGWGSJGGZMJV-ZDUSSCGKSA-N 0 3 376.523 -0.156 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000581360262 530103972 /nfs/dbraw/zinc/10/39/72/530103972.db2.gz KORBLSCNXYRJGF-QNWHQSFQSA-N 0 3 375.491 -0.312 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000581360263 530103868 /nfs/dbraw/zinc/10/38/68/530103868.db2.gz KORBLSCNXYRJGF-UMSGYPCISA-N 0 3 375.491 -0.312 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000581360264 530103815 /nfs/dbraw/zinc/10/38/15/530103815.db2.gz KORBLSCNXYRJGF-WUHRBBMRSA-N 0 3 375.491 -0.312 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000581360265 530103959 /nfs/dbraw/zinc/10/39/59/530103959.db2.gz KORBLSCNXYRJGF-ZDEQEGDKSA-N 0 3 375.491 -0.312 20 0 GBADHN C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H](C)O1 ZINC000581364051 1072571613 /nfs/dbraw/zinc/57/16/13/1072571613.db2.gz NTZXPQGAAFMUIB-FPCVCCKLSA-N 0 3 380.489 -0.319 20 0 GBADHN C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@@H](C)O1 ZINC000581364052 1072571806 /nfs/dbraw/zinc/57/18/06/1072571806.db2.gz NTZXPQGAAFMUIB-KLHDSHLOSA-N 0 3 380.489 -0.319 20 0 GBADHN C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H](C)O1 ZINC000581364053 1072571121 /nfs/dbraw/zinc/57/11/21/1072571121.db2.gz NTZXPQGAAFMUIB-QKPAOTATSA-N 0 3 380.489 -0.319 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MEUBFVDIMMVQFO-CMPLNLGQSA-N 0 3 394.815 -0.165 20 0 GBADHN COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582192539 1072323142 /nfs/dbraw/zinc/32/31/42/1072323142.db2.gz MEUBFVDIMMVQFO-JQWIXIFHSA-N 0 3 394.815 -0.165 20 0 GBADHN COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582192540 1072323327 /nfs/dbraw/zinc/32/33/27/1072323327.db2.gz MEUBFVDIMMVQFO-PWSUYJOCSA-N 0 3 394.815 -0.165 20 0 GBADHN COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582192541 1072323116 /nfs/dbraw/zinc/32/31/16/1072323116.db2.gz MEUBFVDIMMVQFO-ZYHUDNBSSA-N 0 3 394.815 -0.165 20 0 GBADHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582193056 1072323967 /nfs/dbraw/zinc/32/39/67/1072323967.db2.gz IHRMJZZBJSFSKS-APIJFGDWSA-N 0 3 380.489 -0.286 20 0 GBADHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582193057 1072323847 /nfs/dbraw/zinc/32/38/47/1072323847.db2.gz IHRMJZZBJSFSKS-CBBWQLFWSA-N 0 3 380.489 -0.286 20 0 GBADHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582193058 1072323940 /nfs/dbraw/zinc/32/39/40/1072323940.db2.gz IHRMJZZBJSFSKS-KBUPBQIOSA-N 0 3 380.489 -0.286 20 0 GBADHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582193059 1072323739 /nfs/dbraw/zinc/32/37/39/1072323739.db2.gz IHRMJZZBJSFSKS-LXTVHRRPSA-N 0 3 380.489 -0.286 20 0 GBADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582193132 1072324243 /nfs/dbraw/zinc/32/42/43/1072324243.db2.gz OUOKCMZZYCUSQI-CABCVRRESA-N 0 3 398.467 -0.379 20 0 GBADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582193133 1072324338 /nfs/dbraw/zinc/32/43/38/1072324338.db2.gz OUOKCMZZYCUSQI-GJZGRUSLSA-N 0 3 398.467 -0.379 20 0 GBADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582193134 1072324261 /nfs/dbraw/zinc/32/42/61/1072324261.db2.gz OUOKCMZZYCUSQI-HUUCEWRRSA-N 0 3 398.467 -0.379 20 0 GBADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582193135 1072324054 /nfs/dbraw/zinc/32/40/54/1072324054.db2.gz OUOKCMZZYCUSQI-LSDHHAIUSA-N 0 3 398.467 -0.379 20 0 GBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000582195374 1072323829 /nfs/dbraw/zinc/32/38/29/1072323829.db2.gz ALMSDJLIFPECAZ-UHFFFAOYSA-N 0 3 390.488 -0.723 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000582198064 1072323760 /nfs/dbraw/zinc/32/37/60/1072323760.db2.gz JDFKLFLNNQFDGN-AWEZNQCLSA-N 0 3 377.493 -0.221 20 0 GBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000582198065 1072324200 /nfs/dbraw/zinc/32/42/00/1072324200.db2.gz JDFKLFLNNQFDGN-CQSZACIVSA-N 0 3 377.493 -0.221 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC000582246409 1072327141 /nfs/dbraw/zinc/32/71/41/1072327141.db2.gz YCPAPVDTIHQFQR-AVGNSLFASA-N 0 3 377.445 -0.915 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC000582246410 1072327045 /nfs/dbraw/zinc/32/70/45/1072327045.db2.gz YCPAPVDTIHQFQR-RWMBFGLXSA-N 0 3 377.445 -0.915 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC000582246411 1072326952 /nfs/dbraw/zinc/32/69/52/1072326952.db2.gz YCPAPVDTIHQFQR-XQQFMLRXSA-N 0 3 377.445 -0.915 20 0 GBADHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC000582246412 1072327186 /nfs/dbraw/zinc/32/71/86/1072327186.db2.gz YCPAPVDTIHQFQR-YNEHKIRRSA-N 0 3 377.445 -0.915 20 0 GBADHN COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000582247254 1073527109 /nfs/dbraw/zinc/52/71/09/1073527109.db2.gz JVONQUKIVZWNPI-HNNXBMFYSA-N 0 3 382.505 -0.023 20 0 GBADHN COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000582247255 1073526948 /nfs/dbraw/zinc/52/69/48/1073526948.db2.gz JVONQUKIVZWNPI-OAHLLOKOSA-N 0 3 382.505 -0.023 20 0 GBADHN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)C(=O)NCCN(C)C ZINC000582251128 530300897 /nfs/dbraw/zinc/30/08/97/530300897.db2.gz MAWKJFRMYMGFOZ-LLVKDONJSA-N 0 3 376.504 -0.401 20 0 GBADHN C[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)C(=O)NCCN(C)C ZINC000582251129 530301107 /nfs/dbraw/zinc/30/11/07/530301107.db2.gz MAWKJFRMYMGFOZ-NSHDSACASA-N 0 3 376.504 -0.401 20 0 GBADHN CC(C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccn1 ZINC000582253220 1072327777 /nfs/dbraw/zinc/32/77/77/1072327777.db2.gz TXELZPHZLAELQW-KBPBESRZSA-N 0 3 375.429 -0.745 20 0 GBADHN CC(C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccn1 ZINC000582253221 1072328263 /nfs/dbraw/zinc/32/82/63/1072328263.db2.gz TXELZPHZLAELQW-KGLIPLIRSA-N 0 3 375.429 -0.745 20 0 GBADHN CC(C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccn1 ZINC000582253222 1072327876 /nfs/dbraw/zinc/32/78/76/1072327876.db2.gz TXELZPHZLAELQW-UONOGXRCSA-N 0 3 375.429 -0.745 20 0 GBADHN CC(C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccn1 ZINC000582253223 1072327810 /nfs/dbraw/zinc/32/78/10/1072327810.db2.gz TXELZPHZLAELQW-ZIAGYGMSSA-N 0 3 375.429 -0.745 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000582259691 1072328107 /nfs/dbraw/zinc/32/81/07/1072328107.db2.gz ZBNPCOWGRGUWMM-UHFFFAOYSA-N 0 3 381.521 -0.402 20 0 GBADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCCO1 ZINC000582266222 1072329900 /nfs/dbraw/zinc/32/99/00/1072329900.db2.gz LRRAGURIWCKKND-CVEARBPZSA-N 0 3 380.489 -0.173 20 0 GBADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCCO1 ZINC000582266223 1072330073 /nfs/dbraw/zinc/33/00/73/1072330073.db2.gz LRRAGURIWCKKND-HOTGVXAUSA-N 0 3 380.489 -0.173 20 0 GBADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCCO1 ZINC000582266224 1072330162 /nfs/dbraw/zinc/33/01/62/1072330162.db2.gz LRRAGURIWCKKND-HZPDHXFCSA-N 0 3 380.489 -0.173 20 0 GBADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCCO1 ZINC000582266225 1072330053 /nfs/dbraw/zinc/33/00/53/1072330053.db2.gz LRRAGURIWCKKND-JKSUJKDBSA-N 0 3 380.489 -0.173 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCS(=O)(=O)N(C)C 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LDVFHHFWAQXICB-CQDKDKBSSA-N 0 3 390.415 -0.292 20 0 GBADHN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582312802 1072336642 /nfs/dbraw/zinc/33/66/42/1072336642.db2.gz LDVFHHFWAQXICB-DFBGVHRSSA-N 0 3 390.415 -0.292 20 0 GBADHN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582312803 1072337094 /nfs/dbraw/zinc/33/70/94/1072337094.db2.gz LDVFHHFWAQXICB-GLQYFDAESA-N 0 3 390.415 -0.292 20 0 GBADHN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582312804 1072337160 /nfs/dbraw/zinc/33/71/60/1072337160.db2.gz LDVFHHFWAQXICB-UGFHNGPFSA-N 0 3 390.415 -0.292 20 0 GBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000582327592 1072337834 /nfs/dbraw/zinc/33/78/34/1072337834.db2.gz NAFREIKROBUMOS-KGLIPLIRSA-N 0 3 388.534 -0.237 20 0 GBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000582327593 1072337939 /nfs/dbraw/zinc/33/79/39/1072337939.db2.gz NAFREIKROBUMOS-ZIAGYGMSSA-N 0 3 388.534 -0.237 20 0 GBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1C ZINC000582362940 530315928 /nfs/dbraw/zinc/31/59/28/530315928.db2.gz AOTTZSNWTBEHFC-GFCCVEGCSA-N 0 3 376.504 -0.833 20 0 GBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1C ZINC000582362941 530315923 /nfs/dbraw/zinc/31/59/23/530315923.db2.gz AOTTZSNWTBEHFC-LBPRGKRZSA-N 0 3 376.504 -0.833 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCN(C2CCC2)C1 ZINC000582364474 1072341847 /nfs/dbraw/zinc/34/18/47/1072341847.db2.gz IHRXHCFDIPNIOM-CYBMUJFWSA-N 0 3 389.456 -0.395 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCN(C2CCC2)C1 ZINC000582364475 1072341672 /nfs/dbraw/zinc/34/16/72/1072341672.db2.gz IHRXHCFDIPNIOM-ZDUSSCGKSA-N 0 3 389.456 -0.395 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000582370993 1072342345 /nfs/dbraw/zinc/34/23/45/1072342345.db2.gz HUTKOHAGORZCQM-GUTXKFCHSA-N 0 3 380.470 -0.568 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000582370994 1072342722 /nfs/dbraw/zinc/34/27/22/1072342722.db2.gz HUTKOHAGORZCQM-GZBFAFLISA-N 0 3 380.470 -0.568 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000582370995 1072342395 /nfs/dbraw/zinc/34/23/95/1072342395.db2.gz HUTKOHAGORZCQM-KCQAQPDRSA-N 0 3 380.470 -0.568 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000582370996 1072342863 /nfs/dbraw/zinc/34/28/63/1072342863.db2.gz HUTKOHAGORZCQM-YDHLFZDLSA-N 0 3 380.470 -0.568 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CCN2C1=O ZINC000582371590 1072342436 /nfs/dbraw/zinc/34/24/36/1072342436.db2.gz FMIQSHUDINKRHO-KBPBESRZSA-N 0 3 385.424 -0.330 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CCN2C1=O ZINC000582371591 1072342633 /nfs/dbraw/zinc/34/26/33/1072342633.db2.gz FMIQSHUDINKRHO-KGLIPLIRSA-N 0 3 385.424 -0.330 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CCN2C1=O ZINC000582371592 1072342265 /nfs/dbraw/zinc/34/22/65/1072342265.db2.gz FMIQSHUDINKRHO-UONOGXRCSA-N 0 3 385.424 -0.330 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CCN2C1=O ZINC000582371593 1072343630 /nfs/dbraw/zinc/34/36/30/1072343630.db2.gz FMIQSHUDINKRHO-ZIAGYGMSSA-N 0 3 385.424 -0.330 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCN3CCc4ccccc43)CCN2C1=O ZINC000582371741 1072342412 /nfs/dbraw/zinc/34/24/12/1072342412.db2.gz KVHCIUSDOSBNBN-CVEARBPZSA-N 0 3 385.468 -0.674 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCN3CCc4ccccc43)CCN2C1=O ZINC000582371742 1072342781 /nfs/dbraw/zinc/34/27/81/1072342781.db2.gz KVHCIUSDOSBNBN-HOTGVXAUSA-N 0 3 385.468 -0.674 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCN3CCc4ccccc43)CCN2C1=O ZINC000582371743 1072342806 /nfs/dbraw/zinc/34/28/06/1072342806.db2.gz KVHCIUSDOSBNBN-HZPDHXFCSA-N 0 3 385.468 -0.674 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCN3CCc4ccccc43)CCN2C1=O ZINC000582371744 1072342511 /nfs/dbraw/zinc/34/25/11/1072342511.db2.gz KVHCIUSDOSBNBN-JKSUJKDBSA-N 0 3 385.468 -0.674 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000582371834 1072342988 /nfs/dbraw/zinc/34/29/88/1072342988.db2.gz NXARYOACHTWFLG-CORIIIEPSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000582371835 1072342904 /nfs/dbraw/zinc/34/29/04/1072342904.db2.gz NXARYOACHTWFLG-LNSITVRQSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000582371836 1072342286 /nfs/dbraw/zinc/34/22/86/1072342286.db2.gz NXARYOACHTWFLG-NJZAAPMLSA-N 0 3 394.859 -0.006 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000582371837 1072342745 /nfs/dbraw/zinc/34/27/45/1072342745.db2.gz NXARYOACHTWFLG-WHOFXGATSA-N 0 3 394.859 -0.006 20 0 GBADHN CNC(=O)c1cccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000582374240 1072342686 /nfs/dbraw/zinc/34/26/86/1072342686.db2.gz HRXGAXNBVJFXBQ-UHFFFAOYSA-N 0 3 389.500 -0.195 20 0 GBADHN CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]2CCO[C@H]21 ZINC000582378960 1072343830 /nfs/dbraw/zinc/34/38/30/1072343830.db2.gz ADKQRXSISRTOJD-DJIMGWMZSA-N 0 3 392.500 -0.317 20 0 GBADHN CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]2CCO[C@@H]21 ZINC000582378961 1072343889 /nfs/dbraw/zinc/34/38/89/1072343889.db2.gz ADKQRXSISRTOJD-OIISXLGYSA-N 0 3 392.500 -0.317 20 0 GBADHN CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000582378962 1072343674 /nfs/dbraw/zinc/34/36/74/1072343674.db2.gz ADKQRXSISRTOJD-UAGQMJEPSA-N 0 3 392.500 -0.317 20 0 GBADHN CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]2CCO[C@H]21 ZINC000582378963 1072343906 /nfs/dbraw/zinc/34/39/06/1072343906.db2.gz ADKQRXSISRTOJD-USXIJHARSA-N 0 3 392.500 -0.317 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000582384951 1072344663 /nfs/dbraw/zinc/34/46/63/1072344663.db2.gz HIAJVLNKRFJYBT-CABCVRRESA-N 0 3 395.504 -0.970 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000582384952 1072344806 /nfs/dbraw/zinc/34/48/06/1072344806.db2.gz HIAJVLNKRFJYBT-GJZGRUSLSA-N 0 3 395.504 -0.970 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000582384953 1072344788 /nfs/dbraw/zinc/34/47/88/1072344788.db2.gz HIAJVLNKRFJYBT-HUUCEWRRSA-N 0 3 395.504 -0.970 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000582384954 1072344610 /nfs/dbraw/zinc/34/46/10/1072344610.db2.gz HIAJVLNKRFJYBT-LSDHHAIUSA-N 0 3 395.504 -0.970 20 0 GBADHN O=C1c2ccccc2C(=O)N1CCNCCNS(=O)(=O)Cc1ccon1 ZINC000582400312 1072349682 /nfs/dbraw/zinc/34/96/82/1072349682.db2.gz DJRMLNICHHXMNG-UHFFFAOYSA-N 0 3 378.410 -0.020 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000582417271 1072351343 /nfs/dbraw/zinc/35/13/43/1072351343.db2.gz PNCOVTOIZWAWSG-GFCCVEGCSA-N 0 3 376.413 -0.041 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000582417272 1072351442 /nfs/dbraw/zinc/35/14/42/1072351442.db2.gz PNCOVTOIZWAWSG-LBPRGKRZSA-N 0 3 376.413 -0.041 20 0 GBADHN O=C(C[C@H]1CNCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582418481 1072351622 /nfs/dbraw/zinc/35/16/22/1072351622.db2.gz ZZHAENVWKAVZKP-CVEARBPZSA-N 0 3 390.488 -0.223 20 0 GBADHN O=C(C[C@H]1CNCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582418482 1072351497 /nfs/dbraw/zinc/35/14/97/1072351497.db2.gz ZZHAENVWKAVZKP-HOTGVXAUSA-N 0 3 390.488 -0.223 20 0 GBADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582418483 1072351555 /nfs/dbraw/zinc/35/15/55/1072351555.db2.gz ZZHAENVWKAVZKP-HZPDHXFCSA-N 0 3 390.488 -0.223 20 0 GBADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582418484 1072352258 /nfs/dbraw/zinc/35/22/58/1072352258.db2.gz ZZHAENVWKAVZKP-JKSUJKDBSA-N 0 3 390.488 -0.223 20 0 GBADHN CC[C@H](NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1)C(=O)N1CCOCC1 ZINC000582440955 1072354077 /nfs/dbraw/zinc/35/40/77/1072354077.db2.gz JALAZXKQKAHYBS-JYJNAYRXSA-N 0 3 382.505 -0.023 20 0 GBADHN CC[C@H](NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000582440956 1072354425 /nfs/dbraw/zinc/35/44/25/1072354425.db2.gz JALAZXKQKAHYBS-OAGGEKHMSA-N 0 3 382.505 -0.023 20 0 GBADHN CC[C@H](NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000582440957 1072353925 /nfs/dbraw/zinc/35/39/25/1072353925.db2.gz JALAZXKQKAHYBS-PMPSAXMXSA-N 0 3 382.505 -0.023 20 0 GBADHN CC[C@H](NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)C(=O)N1CCOCC1 ZINC000582440958 1072354208 /nfs/dbraw/zinc/35/42/08/1072354208.db2.gz JALAZXKQKAHYBS-XHSDSOJGSA-N 0 3 382.505 -0.023 20 0 GBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000582450371 1072356331 /nfs/dbraw/zinc/35/63/31/1072356331.db2.gz PLBXCMAWYPYWMR-KBPBESRZSA-N 0 3 390.550 -0.039 20 0 GBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000582450372 1072356193 /nfs/dbraw/zinc/35/61/93/1072356193.db2.gz PLBXCMAWYPYWMR-KGLIPLIRSA-N 0 3 390.550 -0.039 20 0 GBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000582450373 1072356503 /nfs/dbraw/zinc/35/65/03/1072356503.db2.gz PLBXCMAWYPYWMR-UONOGXRCSA-N 0 3 390.550 -0.039 20 0 GBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000582450374 1072356216 /nfs/dbraw/zinc/35/62/16/1072356216.db2.gz PLBXCMAWYPYWMR-ZIAGYGMSSA-N 0 3 390.550 -0.039 20 0 GBADHN COCC[C@@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OC ZINC000582455412 530325240 /nfs/dbraw/zinc/32/52/40/530325240.db2.gz SAQGKDJAKISHIX-CYBMUJFWSA-N 0 3 376.479 -0.082 20 0 GBADHN COCC[C@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OC ZINC000582455413 530325173 /nfs/dbraw/zinc/32/51/73/530325173.db2.gz SAQGKDJAKISHIX-ZDUSSCGKSA-N 0 3 376.479 -0.082 20 0 GBADHN COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)NC1CC1 ZINC000582455684 1072356348 /nfs/dbraw/zinc/35/63/48/1072356348.db2.gz GJIFCIYRNOLYMT-UHFFFAOYSA-N 0 3 384.458 -0.248 20 0 GBADHN O=C(CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)N1CCNCC1 ZINC000582476510 1072359867 /nfs/dbraw/zinc/35/98/67/1072359867.db2.gz FBLKICLNJSGWKZ-KRWDZBQOSA-N 0 3 387.484 -0.685 20 0 GBADHN O=C(CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCNCC1 ZINC000582476511 1072360034 /nfs/dbraw/zinc/36/00/34/1072360034.db2.gz FBLKICLNJSGWKZ-QGZVFWFLSA-N 0 3 387.484 -0.685 20 0 GBADHN NCc1cn([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)nn1 ZINC000582486679 530327394 /nfs/dbraw/zinc/32/73/94/530327394.db2.gz ONGPCZRSEVOWFV-GFCCVEGCSA-N 0 3 384.487 -0.060 20 0 GBADHN NCc1cn([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)nn1 ZINC000582486685 530327182 /nfs/dbraw/zinc/32/71/82/530327182.db2.gz ONGPCZRSEVOWFV-LBPRGKRZSA-N 0 3 384.487 -0.060 20 0 GBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCNC[C@@H]2C(F)F)cc1 ZINC000582486869 530327443 /nfs/dbraw/zinc/32/74/43/530327443.db2.gz UGKGPOCQXCKXFW-CYBMUJFWSA-N 0 3 376.429 -0.468 20 0 GBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCNC[C@H]2C(F)F)cc1 ZINC000582486874 530327347 /nfs/dbraw/zinc/32/73/47/530327347.db2.gz UGKGPOCQXCKXFW-ZDUSSCGKSA-N 0 3 376.429 -0.468 20 0 GBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCNC[C@@H]2C(F)F)CC1 ZINC000582488718 1072362185 /nfs/dbraw/zinc/36/21/85/1072362185.db2.gz OKJPPBIEJNMXTQ-CYBMUJFWSA-N 0 3 375.464 -0.416 20 0 GBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCNC[C@H]2C(F)F)CC1 ZINC000582488719 1072361971 /nfs/dbraw/zinc/36/19/71/1072361971.db2.gz OKJPPBIEJNMXTQ-ZDUSSCGKSA-N 0 3 375.464 -0.416 20 0 GBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000582495399 1072362133 /nfs/dbraw/zinc/36/21/33/1072362133.db2.gz HLXCAMSOVHCVKR-UHFFFAOYSA-N 0 3 395.485 -0.582 20 0 GBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000582498013 1072362885 /nfs/dbraw/zinc/36/28/85/1072362885.db2.gz ICYDWKOCLDCIKE-DZGCQCFKSA-N 0 3 397.453 -0.448 20 0 GBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000582498015 1072362831 /nfs/dbraw/zinc/36/28/31/1072362831.db2.gz ICYDWKOCLDCIKE-HIFRSBDPSA-N 0 3 397.453 -0.448 20 0 GBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000582498017 1072362963 /nfs/dbraw/zinc/36/29/63/1072362963.db2.gz ICYDWKOCLDCIKE-UKRRQHHQSA-N 0 3 397.453 -0.448 20 0 GBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000582498018 1072363188 /nfs/dbraw/zinc/36/31/88/1072363188.db2.gz ICYDWKOCLDCIKE-ZFWWWQNUSA-N 0 3 397.453 -0.448 20 0 GBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582498153 1072362061 /nfs/dbraw/zinc/36/20/61/1072362061.db2.gz HCVSNFROIPHSKV-HZSPNIEDSA-N 0 3 390.440 -0.651 20 0 GBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582498154 1072362046 /nfs/dbraw/zinc/36/20/46/1072362046.db2.gz HCVSNFROIPHSKV-MCIONIFRSA-N 0 3 390.440 -0.651 20 0 GBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582498155 1072361648 /nfs/dbraw/zinc/36/16/48/1072361648.db2.gz HCVSNFROIPHSKV-MGPQQGTHSA-N 0 3 390.440 -0.651 20 0 GBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582498156 1072362614 /nfs/dbraw/zinc/36/26/14/1072362614.db2.gz HCVSNFROIPHSKV-RDBSUJKOSA-N 0 3 390.440 -0.651 20 0 GBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000582514872 1072364068 /nfs/dbraw/zinc/36/40/68/1072364068.db2.gz SIZPUOAWJJEFPL-LBPRGKRZSA-N 0 3 395.533 0.006 20 0 GBADHN Cc1nc(N2CCN(CCO)C[C@@H]2C)cc(N2CCN(CCO)C[C@@H]2C)n1 ZINC000582527914 1072365125 /nfs/dbraw/zinc/36/51/25/1072365125.db2.gz XNQZNVRMYZCGFE-HOTGVXAUSA-N 0 3 378.521 -0.209 20 0 GBADHN Cc1nc(N2CCN(CCO)C[C@H]2C)cc(N2CCN(CCO)C[C@H]2C)n1 ZINC000582527915 1072365172 /nfs/dbraw/zinc/36/51/72/1072365172.db2.gz XNQZNVRMYZCGFE-HZPDHXFCSA-N 0 3 378.521 -0.209 20 0 GBADHN Cc1nc(N2CCN(CCO)C[C@H]2C)cc(N2CCN(CCO)C[C@@H]2C)n1 ZINC000582527916 1072365041 /nfs/dbraw/zinc/36/50/41/1072365041.db2.gz XNQZNVRMYZCGFE-IYBDPMFKSA-N 0 3 378.521 -0.209 20 0 GBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000582532446 1072364594 /nfs/dbraw/zinc/36/45/94/1072364594.db2.gz ZYKNBQUOXYDOIQ-DOTOQJQBSA-N 0 3 391.516 -0.506 20 0 GBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000582532447 1072364731 /nfs/dbraw/zinc/36/47/31/1072364731.db2.gz ZYKNBQUOXYDOIQ-NVXWUHKLSA-N 0 3 391.516 -0.506 20 0 GBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000582532448 1072364890 /nfs/dbraw/zinc/36/48/90/1072364890.db2.gz ZYKNBQUOXYDOIQ-RDJZCZTQSA-N 0 3 391.516 -0.506 20 0 GBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000582532449 1072364813 /nfs/dbraw/zinc/36/48/13/1072364813.db2.gz ZYKNBQUOXYDOIQ-WBVHZDCISA-N 0 3 391.516 -0.506 20 0 GBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000582534841 1072365267 /nfs/dbraw/zinc/36/52/67/1072365267.db2.gz DXJADIPJHUSONI-AWEZNQCLSA-N 0 3 382.486 -0.318 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000582534842 1072365677 /nfs/dbraw/zinc/36/56/77/1072365677.db2.gz DXJADIPJHUSONI-CQSZACIVSA-N 0 3 382.486 -0.318 20 0 GBADHN CN(C)[C@H]1CN(CC(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1O ZINC000582555044 1072367289 /nfs/dbraw/zinc/36/72/89/1072367289.db2.gz ZPHBGVQQLWDJCV-OALUTQOASA-N 0 3 376.501 -0.258 20 0 GBADHN Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582558024 1072367388 /nfs/dbraw/zinc/36/73/88/1072367388.db2.gz BWYJHPNJJYTXSP-CVEARBPZSA-N 0 3 388.468 -0.041 20 0 GBADHN Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582558025 1072367721 /nfs/dbraw/zinc/36/77/21/1072367721.db2.gz BWYJHPNJJYTXSP-HOTGVXAUSA-N 0 3 388.468 -0.041 20 0 GBADHN Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582558026 1072367620 /nfs/dbraw/zinc/36/76/20/1072367620.db2.gz BWYJHPNJJYTXSP-HZPDHXFCSA-N 0 3 388.468 -0.041 20 0 GBADHN Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582558027 1072367594 /nfs/dbraw/zinc/36/75/94/1072367594.db2.gz BWYJHPNJJYTXSP-JKSUJKDBSA-N 0 3 388.468 -0.041 20 0 GBADHN COCCN1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000582564531 1072368209 /nfs/dbraw/zinc/36/82/09/1072368209.db2.gz UYYVBWXJDFAQRL-UHFFFAOYSA-N 0 3 384.521 -0.217 20 0 GBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000582582558 1072371254 /nfs/dbraw/zinc/37/12/54/1072371254.db2.gz PGPAQFHUJRUHNH-AAVRWANBSA-N 0 3 377.489 -0.101 20 0 GBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000582582559 1072371183 /nfs/dbraw/zinc/37/11/83/1072371183.db2.gz PGPAQFHUJRUHNH-RQJABVFESA-N 0 3 377.489 -0.101 20 0 GBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000582582560 1072371460 /nfs/dbraw/zinc/37/14/60/1072371460.db2.gz PGPAQFHUJRUHNH-SYQHCUMBSA-N 0 3 377.489 -0.101 20 0 GBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000582582561 1072371570 /nfs/dbraw/zinc/37/15/70/1072371570.db2.gz PGPAQFHUJRUHNH-XJFOESAGSA-N 0 3 377.489 -0.101 20 0 GBADHN CN1CCN(CCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000582585324 530327802 /nfs/dbraw/zinc/32/78/02/530327802.db2.gz ADCFKIZUDUTQMK-UHFFFAOYSA-N 0 3 390.531 -0.362 20 0 GBADHN COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)n1 ZINC000582591597 1072372509 /nfs/dbraw/zinc/37/25/09/1072372509.db2.gz VHIBBDSUTGGPMY-HNNXBMFYSA-N 0 3 388.472 -0.170 20 0 GBADHN COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)n1 ZINC000582591598 1072372336 /nfs/dbraw/zinc/37/23/36/1072372336.db2.gz VHIBBDSUTGGPMY-OAHLLOKOSA-N 0 3 388.472 -0.170 20 0 GBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccn1 ZINC000582616654 1072375966 /nfs/dbraw/zinc/37/59/66/1072375966.db2.gz HMTCGHJVMNFOLV-AEGPPILISA-N 0 3 389.456 -0.355 20 0 GBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccn1 ZINC000582616655 1072375757 /nfs/dbraw/zinc/37/57/57/1072375757.db2.gz HMTCGHJVMNFOLV-CFVMTHIKSA-N 0 3 389.456 -0.355 20 0 GBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccn1 ZINC000582616656 1072376025 /nfs/dbraw/zinc/37/60/25/1072376025.db2.gz HMTCGHJVMNFOLV-NWANDNLSSA-N 0 3 389.456 -0.355 20 0 GBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccn1 ZINC000582616657 1072375814 /nfs/dbraw/zinc/37/58/14/1072375814.db2.gz HMTCGHJVMNFOLV-QEJZJMRPSA-N 0 3 389.456 -0.355 20 0 GBADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000582617277 1072376080 /nfs/dbraw/zinc/37/60/80/1072376080.db2.gz PSXBTYVGNYVMOW-APWZRJJASA-N 0 3 385.472 -0.152 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000582617278 1072375656 /nfs/dbraw/zinc/37/56/56/1072375656.db2.gz PSXBTYVGNYVMOW-LPHOPBHVSA-N 0 3 385.472 -0.152 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000582617279 1072375943 /nfs/dbraw/zinc/37/59/43/1072375943.db2.gz PSXBTYVGNYVMOW-QFBILLFUSA-N 0 3 385.472 -0.152 20 0 GBADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000582617280 1072376145 /nfs/dbraw/zinc/37/61/45/1072376145.db2.gz PSXBTYVGNYVMOW-VQIMIIECSA-N 0 3 385.472 -0.152 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618207 1072375568 /nfs/dbraw/zinc/37/55/68/1072375568.db2.gz WCMVEOCNEJUKQS-CMPLNLGQSA-N 0 3 382.367 -0.212 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618213 1072375989 /nfs/dbraw/zinc/37/59/89/1072375989.db2.gz WCMVEOCNEJUKQS-JQWIXIFHSA-N 0 3 382.367 -0.212 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618214 1072376000 /nfs/dbraw/zinc/37/60/00/1072376000.db2.gz WCMVEOCNEJUKQS-PWSUYJOCSA-N 0 3 382.367 -0.212 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618215 1072375636 /nfs/dbraw/zinc/37/56/36/1072375636.db2.gz WCMVEOCNEJUKQS-ZYHUDNBSSA-N 0 3 382.367 -0.212 20 0 GBADHN CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@H](CN)C1 ZINC000582655077 530327840 /nfs/dbraw/zinc/32/78/40/530327840.db2.gz HLRNOUNPOAQLFS-CYBMUJFWSA-N 0 3 389.909 -0.097 20 0 GBADHN CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@@H](CN)C1 ZINC000582655078 530327923 /nfs/dbraw/zinc/32/79/23/530327923.db2.gz HLRNOUNPOAQLFS-ZDUSSCGKSA-N 0 3 389.909 -0.097 20 0 GBADHN CN(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccc(F)cc1 ZINC000582656408 1072381832 /nfs/dbraw/zinc/38/18/32/1072381832.db2.gz KQAFYSWUDBEIQO-HNNXBMFYSA-N 0 3 379.436 -0.907 20 0 GBADHN CN(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccc(F)cc1 ZINC000582656409 1072382272 /nfs/dbraw/zinc/38/22/72/1072382272.db2.gz KQAFYSWUDBEIQO-OAHLLOKOSA-N 0 3 379.436 -0.907 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1noc(-c2ccccc2)n1 ZINC000582677173 1072384572 /nfs/dbraw/zinc/38/45/72/1072384572.db2.gz PIQBECJNGDUBOW-FPMFFAJLSA-N 0 3 398.423 -0.316 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1noc(-c2ccccc2)n1 ZINC000582677174 1072384971 /nfs/dbraw/zinc/38/49/71/1072384971.db2.gz PIQBECJNGDUBOW-IACUBPJLSA-N 0 3 398.423 -0.316 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1noc(-c2ccccc2)n1 ZINC000582677175 1072384696 /nfs/dbraw/zinc/38/46/96/1072384696.db2.gz PIQBECJNGDUBOW-UBHSHLNASA-N 0 3 398.423 -0.316 20 0 GBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1noc(-c2ccccc2)n1 ZINC000582677176 1072385078 /nfs/dbraw/zinc/38/50/78/1072385078.db2.gz PIQBECJNGDUBOW-YUTCNCBUSA-N 0 3 398.423 -0.316 20 0 GBADHN CCN(CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)CCC(F)(F)F ZINC000582717469 1072391443 /nfs/dbraw/zinc/39/14/43/1072391443.db2.gz UBAKHXGBLFMLAN-CYBMUJFWSA-N 0 3 381.443 -0.261 20 0 GBADHN CCN(CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)CCC(F)(F)F ZINC000582717470 1072391067 /nfs/dbraw/zinc/39/10/67/1072391067.db2.gz UBAKHXGBLFMLAN-ZDUSSCGKSA-N 0 3 381.443 -0.261 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582789877 530328708 /nfs/dbraw/zinc/32/87/08/530328708.db2.gz FEARKPNVLOLAMX-CYBMUJFWSA-N 0 3 393.535 -0.626 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582789878 530328610 /nfs/dbraw/zinc/32/86/10/530328610.db2.gz FEARKPNVLOLAMX-ZDUSSCGKSA-N 0 3 393.535 -0.626 20 0 GBADHN CC(C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)S(C)(=O)=O ZINC000582791379 530328532 /nfs/dbraw/zinc/32/85/32/530328532.db2.gz LNINTINJMGVLNM-CYBMUJFWSA-N 0 3 389.499 -0.402 20 0 GBADHN CC(C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)S(C)(=O)=O ZINC000582791380 530328676 /nfs/dbraw/zinc/32/86/76/530328676.db2.gz LNINTINJMGVLNM-ZDUSSCGKSA-N 0 3 389.499 -0.402 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796911 1072400348 /nfs/dbraw/zinc/40/03/48/1072400348.db2.gz DCNNLDIWLAKOMM-DZGCQCFKSA-N 0 3 380.470 -0.196 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796912 1072400400 /nfs/dbraw/zinc/40/04/00/1072400400.db2.gz DCNNLDIWLAKOMM-HIFRSBDPSA-N 0 3 380.470 -0.196 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796913 1072400408 /nfs/dbraw/zinc/40/04/08/1072400408.db2.gz DCNNLDIWLAKOMM-UKRRQHHQSA-N 0 3 380.470 -0.196 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796915 1072400318 /nfs/dbraw/zinc/40/03/18/1072400318.db2.gz DCNNLDIWLAKOMM-ZFWWWQNUSA-N 0 3 380.470 -0.196 20 0 GBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000582797005 1072401358 /nfs/dbraw/zinc/40/13/58/1072401358.db2.gz FXNAUEKPSQKKGT-CHWSQXEVSA-N 0 3 376.413 -0.910 20 0 GBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000582797006 1072401396 /nfs/dbraw/zinc/40/13/96/1072401396.db2.gz FXNAUEKPSQKKGT-OLZOCXBDSA-N 0 3 376.413 -0.910 20 0 GBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000582797007 1072401319 /nfs/dbraw/zinc/40/13/19/1072401319.db2.gz FXNAUEKPSQKKGT-QWHCGFSZSA-N 0 3 376.413 -0.910 20 0 GBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000582797008 1072401509 /nfs/dbraw/zinc/40/15/09/1072401509.db2.gz FXNAUEKPSQKKGT-STQMWFEESA-N 0 3 376.413 -0.910 20 0 GBADHN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000582801670 1072402279 /nfs/dbraw/zinc/40/22/79/1072402279.db2.gz DHASKOPROFCATM-ARFHVFGLSA-N 0 3 380.489 -0.317 20 0 GBADHN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000582801671 1072402566 /nfs/dbraw/zinc/40/25/66/1072402566.db2.gz DHASKOPROFCATM-BZUAXINKSA-N 0 3 380.489 -0.317 20 0 GBADHN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000582801672 1072402446 /nfs/dbraw/zinc/40/24/46/1072402446.db2.gz DHASKOPROFCATM-HRCADAONSA-N 0 3 380.489 -0.317 20 0 GBADHN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000582801673 1072402191 /nfs/dbraw/zinc/40/21/91/1072402191.db2.gz DHASKOPROFCATM-OWCLPIDISA-N 0 3 380.489 -0.317 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000582831411 1072405117 /nfs/dbraw/zinc/40/51/17/1072405117.db2.gz ALZUJLPJFCZXBZ-CVEARBPZSA-N 0 3 379.505 -0.650 20 0 GBADHN O=S(=O)(CCNC[C@H](O)Cn1cccn1)N1CCN(c2ccccn2)CC1 ZINC000582840437 1072406628 /nfs/dbraw/zinc/40/66/28/1072406628.db2.gz ZVGNUGBVAHHJEF-INIZCTEOSA-N 0 3 394.501 -0.619 20 0 GBADHN O=S(=O)(CCNC[C@@H](O)Cn1cccn1)N1CCN(c2ccccn2)CC1 ZINC000582840438 1072406655 /nfs/dbraw/zinc/40/66/55/1072406655.db2.gz ZVGNUGBVAHHJEF-MRXNPFEDSA-N 0 3 394.501 -0.619 20 0 GBADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)c1OC ZINC000582845271 530328928 /nfs/dbraw/zinc/32/89/28/530328928.db2.gz NFNUFGJZXBSUHV-LLVKDONJSA-N 0 3 390.893 -0.110 20 0 GBADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)c1OC ZINC000582845272 530329020 /nfs/dbraw/zinc/32/90/20/530329020.db2.gz NFNUFGJZXBSUHV-NSHDSACASA-N 0 3 390.893 -0.110 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)[C@H](C)C1 ZINC000582847413 530329169 /nfs/dbraw/zinc/32/91/69/530329169.db2.gz NQWSUMVLQYTPFT-CYBMUJFWSA-N 0 3 375.491 -0.751 20 0 GBADHN COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)[C@@H](C)C1 ZINC000582847414 530329087 /nfs/dbraw/zinc/32/90/87/530329087.db2.gz 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Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000582904370 1072413400 /nfs/dbraw/zinc/41/34/00/1072413400.db2.gz OELOPNIULDRQMI-MRXNPFEDSA-N 0 3 396.513 -0.594 20 0 GBADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@]23CCNC3=O)cc1 ZINC000582913579 1072414743 /nfs/dbraw/zinc/41/47/43/1072414743.db2.gz MTHCAWYRTDCSDM-GOSISDBHSA-N 0 3 394.497 -0.263 20 0 GBADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@@]23CCNC3=O)cc1 ZINC000582913580 1072414808 /nfs/dbraw/zinc/41/48/08/1072414808.db2.gz MTHCAWYRTDCSDM-SFHVURJKSA-N 0 3 394.497 -0.263 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000582914485 1072414958 /nfs/dbraw/zinc/41/49/58/1072414958.db2.gz CPVBJCLHCOXLMA-DZGCQCFKSA-N 0 3 395.485 -0.773 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000582914487 1072414762 /nfs/dbraw/zinc/41/47/62/1072414762.db2.gz CPVBJCLHCOXLMA-HIFRSBDPSA-N 0 3 395.485 -0.773 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000582914489 1072414687 /nfs/dbraw/zinc/41/46/87/1072414687.db2.gz CPVBJCLHCOXLMA-UKRRQHHQSA-N 0 3 395.485 -0.773 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000582914490 1072415113 /nfs/dbraw/zinc/41/51/13/1072415113.db2.gz CPVBJCLHCOXLMA-ZFWWWQNUSA-N 0 3 395.485 -0.773 20 0 GBADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000582914765 1072413865 /nfs/dbraw/zinc/41/38/65/1072413865.db2.gz GLRIXLLVSDNUMS-KBPBESRZSA-N 0 3 397.439 -0.407 20 0 GBADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000582914767 1072414158 /nfs/dbraw/zinc/41/41/58/1072414158.db2.gz GLRIXLLVSDNUMS-KGLIPLIRSA-N 0 3 397.439 -0.407 20 0 GBADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000582914768 1072414024 /nfs/dbraw/zinc/41/40/24/1072414024.db2.gz GLRIXLLVSDNUMS-UONOGXRCSA-N 0 3 397.439 -0.407 20 0 GBADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000582914769 1072413895 /nfs/dbraw/zinc/41/38/95/1072413895.db2.gz GLRIXLLVSDNUMS-ZIAGYGMSSA-N 0 3 397.439 -0.407 20 0 GBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915037 1072415001 /nfs/dbraw/zinc/41/50/01/1072415001.db2.gz JEBYSLZATWNZNB-DLBZAZTESA-N 0 3 385.468 -0.561 20 0 GBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915038 1072415124 /nfs/dbraw/zinc/41/51/24/1072415124.db2.gz JEBYSLZATWNZNB-IAGOWNOFSA-N 0 3 385.468 -0.561 20 0 GBADHN N[C@H]1C[C@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915039 1072414983 /nfs/dbraw/zinc/41/49/83/1072414983.db2.gz JEBYSLZATWNZNB-IRXDYDNUSA-N 0 3 385.468 -0.561 20 0 GBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915040 1072414843 /nfs/dbraw/zinc/41/48/43/1072414843.db2.gz JEBYSLZATWNZNB-SJORKVTESA-N 0 3 385.468 -0.561 20 0 GBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000582969291 1072420220 /nfs/dbraw/zinc/42/02/20/1072420220.db2.gz 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N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)CCN2C1=O ZINC000582976513 1072420958 /nfs/dbraw/zinc/42/09/58/1072420958.db2.gz PYYBOXKRZHYDHJ-RYUDHWBXSA-N 0 3 381.820 -1.000 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)CCN2C1=O ZINC000582976514 1072421197 /nfs/dbraw/zinc/42/11/97/1072421197.db2.gz PYYBOXKRZHYDHJ-VXGBXAGGSA-N 0 3 381.820 -1.000 20 0 GBADHN CCOC(=O)c1ccc(N2CC(NCC3(O)CCS(=O)(=O)CC3)C2)nc1 ZINC000583020562 1072424620 /nfs/dbraw/zinc/42/46/20/1072424620.db2.gz KEZYNILBHVWCRP-UHFFFAOYSA-N 0 3 383.470 -0.024 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036154 1072427444 /nfs/dbraw/zinc/42/74/44/1072427444.db2.gz AOJBJNAFHJRYTG-CHWSQXEVSA-N 0 3 396.394 -0.283 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036155 1072427130 /nfs/dbraw/zinc/42/71/30/1072427130.db2.gz AOJBJNAFHJRYTG-OLZOCXBDSA-N 0 3 396.394 -0.283 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036156 1072427452 /nfs/dbraw/zinc/42/74/52/1072427452.db2.gz AOJBJNAFHJRYTG-QWHCGFSZSA-N 0 3 396.394 -0.283 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036157 1072427438 /nfs/dbraw/zinc/42/74/38/1072427438.db2.gz AOJBJNAFHJRYTG-STQMWFEESA-N 0 3 396.394 -0.283 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CCN2C1=O ZINC000583036253 1072427412 /nfs/dbraw/zinc/42/74/12/1072427412.db2.gz GYAMSGBMSVPNPH-KHMAMNHCSA-N 0 3 376.457 -0.779 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CCN2C1=O ZINC000583036254 1072427072 /nfs/dbraw/zinc/42/70/72/1072427072.db2.gz GYAMSGBMSVPNPH-KJWHEZOQSA-N 0 3 376.457 -0.779 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CCN2C1=O ZINC000583036255 1072427211 /nfs/dbraw/zinc/42/72/11/1072427211.db2.gz GYAMSGBMSVPNPH-RYPNDVFKSA-N 0 3 376.457 -0.779 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CCN2C1=O ZINC000583036256 1072427326 /nfs/dbraw/zinc/42/73/26/1072427326.db2.gz GYAMSGBMSVPNPH-XLWJZTARSA-N 0 3 376.457 -0.779 20 0 GBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCOC2(CCCC2)C1 ZINC000583043020 1072428152 /nfs/dbraw/zinc/42/81/52/1072428152.db2.gz SDJKMTMAWGXSSR-UHFFFAOYSA-N 0 3 396.532 -0.336 20 0 GBADHN CN(C)CCN(C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)C1CCCC1 ZINC000583088439 1073883715 /nfs/dbraw/zinc/88/37/15/1073883715.db2.gz HMJOOZKIBUVMKP-UHFFFAOYSA-N 0 3 377.445 -0.395 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1=O ZINC000583118863 1072434388 /nfs/dbraw/zinc/43/43/88/1072434388.db2.gz SDQBTGAJIFOVCI-MRRJBJDNSA-N 0 3 376.461 -0.734 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1=O ZINC000583118864 1072434128 /nfs/dbraw/zinc/43/41/28/1072434128.db2.gz SDQBTGAJIFOVCI-QEORTHHSSA-N 0 3 376.461 -0.734 20 0 GBADHN CN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H](C[NH3+])C1 ZINC000583148758 530330035 /nfs/dbraw/zinc/33/00/35/530330035.db2.gz OPXFMMQBVMEUGR-JTQLQIEISA-N 0 3 380.467 -0.539 20 0 GBADHN CN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H](C[NH3+])C1 ZINC000583148759 530329722 /nfs/dbraw/zinc/32/97/22/530329722.db2.gz OPXFMMQBVMEUGR-SNVBAGLBSA-N 0 3 380.467 -0.539 20 0 GBADHN COCCN(C)C[C@H](O)CN1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000583151571 530330002 /nfs/dbraw/zinc/33/00/02/530330002.db2.gz BTYQBJKBKZGANZ-AWEZNQCLSA-N 0 3 392.547 -0.303 20 0 GBADHN COCCN(C)C[C@@H](O)CN1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000583151572 530329959 /nfs/dbraw/zinc/32/99/59/530329959.db2.gz BTYQBJKBKZGANZ-CQSZACIVSA-N 0 3 392.547 -0.303 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000583158257 1072438063 /nfs/dbraw/zinc/43/80/63/1072438063.db2.gz KJCZNMQYTKHLJB-FGTMMUONSA-N 0 3 397.564 -0.398 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000583158258 1072437787 /nfs/dbraw/zinc/43/77/87/1072437787.db2.gz KJCZNMQYTKHLJB-KURKYZTESA-N 0 3 397.564 -0.398 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000583158259 1072437954 /nfs/dbraw/zinc/43/79/54/1072437954.db2.gz KJCZNMQYTKHLJB-KZNAEPCWSA-N 0 3 397.564 -0.398 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000583158260 1072437816 /nfs/dbraw/zinc/43/78/16/1072437816.db2.gz KJCZNMQYTKHLJB-SQNIBIBYSA-N 0 3 397.564 -0.398 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)CC2=O)cn1 ZINC000583189930 1072440402 /nfs/dbraw/zinc/44/04/02/1072440402.db2.gz LFYOPUNSYZBGBB-UHFFFAOYSA-N 0 3 390.488 -0.072 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000583190429 1072440268 /nfs/dbraw/zinc/44/02/68/1072440268.db2.gz XHDFMXRUMSOFDJ-INIZCTEOSA-N 0 3 381.502 -0.098 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000583190430 1072440231 /nfs/dbraw/zinc/44/02/31/1072440231.db2.gz XHDFMXRUMSOFDJ-MRXNPFEDSA-N 0 3 381.502 -0.098 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccncc3OC[C@H]3CCOC3)CCN2C1=O ZINC000583214264 1072443316 /nfs/dbraw/zinc/44/33/16/1072443316.db2.gz DCZCCBYIWDIZEO-CWRNSKLLSA-N 0 3 389.456 -0.050 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccncc3OC[C@@H]3CCOC3)CCN2C1=O ZINC000583214265 1072443418 /nfs/dbraw/zinc/44/34/18/1072443418.db2.gz DCZCCBYIWDIZEO-FVQBIDKESA-N 0 3 389.456 -0.050 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccncc3OC[C@H]3CCOC3)CCN2C1=O ZINC000583214266 1072443406 /nfs/dbraw/zinc/44/34/06/1072443406.db2.gz DCZCCBYIWDIZEO-NUEKZKHPSA-N 0 3 389.456 -0.050 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccncc3OC[C@@H]3CCOC3)CCN2C1=O ZINC000583214267 1072443354 /nfs/dbraw/zinc/44/33/54/1072443354.db2.gz DCZCCBYIWDIZEO-VNQPRFMTSA-N 0 3 389.456 -0.050 20 0 GBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1S(N)(=O)=O ZINC000583214407 1072443166 /nfs/dbraw/zinc/44/31/66/1072443166.db2.gz FJOXREQOTSFUJX-CHWSQXEVSA-N 0 3 381.458 -0.904 20 0 GBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1S(N)(=O)=O ZINC000583214408 1072443197 /nfs/dbraw/zinc/44/31/97/1072443197.db2.gz FJOXREQOTSFUJX-OLZOCXBDSA-N 0 3 381.458 -0.904 20 0 GBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1S(N)(=O)=O ZINC000583214409 1072443233 /nfs/dbraw/zinc/44/32/33/1072443233.db2.gz FJOXREQOTSFUJX-QWHCGFSZSA-N 0 3 381.458 -0.904 20 0 GBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1S(N)(=O)=O ZINC000583214411 1072443304 /nfs/dbraw/zinc/44/33/04/1072443304.db2.gz FJOXREQOTSFUJX-STQMWFEESA-N 0 3 381.458 -0.904 20 0 GBADHN COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000583214999 1072443457 /nfs/dbraw/zinc/44/34/57/1072443457.db2.gz LBDHIPQDHZVVNI-CMPLNLGQSA-N 0 3 394.815 -0.165 20 0 GBADHN COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000583215002 1072443413 /nfs/dbraw/zinc/44/34/13/1072443413.db2.gz LBDHIPQDHZVVNI-JQWIXIFHSA-N 0 3 394.815 -0.165 20 0 GBADHN COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000583215005 1072443053 /nfs/dbraw/zinc/44/30/53/1072443053.db2.gz LBDHIPQDHZVVNI-PWSUYJOCSA-N 0 3 394.815 -0.165 20 0 GBADHN COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000583215007 1072442971 /nfs/dbraw/zinc/44/29/71/1072442971.db2.gz LBDHIPQDHZVVNI-ZYHUDNBSSA-N 0 3 394.815 -0.165 20 0 GBADHN CN(CCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000583216496 1072443215 /nfs/dbraw/zinc/44/32/15/1072443215.db2.gz KQQFIOIKUJWMOF-UHFFFAOYSA-N 0 3 393.488 -0.042 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)CC1=O ZINC000583220714 1072443764 /nfs/dbraw/zinc/44/37/64/1072443764.db2.gz UWWUGZUTTASITQ-DZGCQCFKSA-N 0 3 380.445 -0.307 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1=O ZINC000583220718 1072444162 /nfs/dbraw/zinc/44/41/62/1072444162.db2.gz UWWUGZUTTASITQ-HIFRSBDPSA-N 0 3 380.445 -0.307 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1=O ZINC000583220721 1072444122 /nfs/dbraw/zinc/44/41/22/1072444122.db2.gz UWWUGZUTTASITQ-UKRRQHHQSA-N 0 3 380.445 -0.307 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)CC1=O ZINC000583220722 1072443428 /nfs/dbraw/zinc/44/34/28/1072443428.db2.gz UWWUGZUTTASITQ-ZFWWWQNUSA-N 0 3 380.445 -0.307 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000583249606 1072446808 /nfs/dbraw/zinc/44/68/08/1072446808.db2.gz IGWGRPDUUJWRDL-IXDOHACOSA-N 0 3 391.516 -0.696 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000583249607 1072446377 /nfs/dbraw/zinc/44/63/77/1072446377.db2.gz IGWGRPDUUJWRDL-YESZJQIVSA-N 0 3 391.516 -0.696 20 0 GBADHN COc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)ncn1 ZINC000583255591 1072447389 /nfs/dbraw/zinc/44/73/89/1072447389.db2.gz RCJHJNUULBPORM-AWEZNQCLSA-N 0 3 388.472 -0.100 20 0 GBADHN COc1cc(N2CCN(C(=O)C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)ncn1 ZINC000583255592 1072447770 /nfs/dbraw/zinc/44/77/70/1072447770.db2.gz RCJHJNUULBPORM-CQSZACIVSA-N 0 3 388.472 -0.100 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274806 1072449398 /nfs/dbraw/zinc/44/93/98/1072449398.db2.gz QIJWRJCWXAPYTE-CABCVRRESA-N 0 3 387.419 -0.081 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274807 1072449216 /nfs/dbraw/zinc/44/92/16/1072449216.db2.gz QIJWRJCWXAPYTE-GJZGRUSLSA-N 0 3 387.419 -0.081 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274808 1072449488 /nfs/dbraw/zinc/44/94/88/1072449488.db2.gz QIJWRJCWXAPYTE-HUUCEWRRSA-N 0 3 387.419 -0.081 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274809 1072449454 /nfs/dbraw/zinc/44/94/54/1072449454.db2.gz QIJWRJCWXAPYTE-LSDHHAIUSA-N 0 3 387.419 -0.081 20 0 GBADHN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000583277247 1072449505 /nfs/dbraw/zinc/44/95/05/1072449505.db2.gz MQORIIUDPXAZRP-UHFFFAOYSA-N 0 3 392.504 -0.054 20 0 GBADHN Cc1c([C@H]2OCC[C@@H]2Nc2nc(NCCO)nc(NC(C)C)n2)cnn1C ZINC000583280274 1072450473 /nfs/dbraw/zinc/45/04/73/1072450473.db2.gz OHQNJDJMNQMKRY-UONOGXRCSA-N 0 3 376.465 -0.654 20 0 GBADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583290167 530331888 /nfs/dbraw/zinc/33/18/88/530331888.db2.gz LGPIWERRLZKMJM-KBPBESRZSA-N 0 3 376.523 -0.237 20 0 GBADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583290168 530331841 /nfs/dbraw/zinc/33/18/41/530331841.db2.gz LGPIWERRLZKMJM-KGLIPLIRSA-N 0 3 376.523 -0.237 20 0 GBADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583290169 530331986 /nfs/dbraw/zinc/33/19/86/530331986.db2.gz LGPIWERRLZKMJM-UONOGXRCSA-N 0 3 376.523 -0.237 20 0 GBADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583290170 530332022 /nfs/dbraw/zinc/33/20/22/530332022.db2.gz LGPIWERRLZKMJM-ZIAGYGMSSA-N 0 3 376.523 -0.237 20 0 GBADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)C[C@H]12 ZINC000583316493 1072452412 /nfs/dbraw/zinc/45/24/12/1072452412.db2.gz LWIGJJAXFOLONU-CWRNSKLLSA-N 0 3 386.452 -0.128 20 0 GBADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)C[C@@H]12 ZINC000583316494 1072451948 /nfs/dbraw/zinc/45/19/48/1072451948.db2.gz LWIGJJAXFOLONU-FVQBIDKESA-N 0 3 386.452 -0.128 20 0 GBADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)C[C@@H]12 ZINC000583316495 1072452089 /nfs/dbraw/zinc/45/20/89/1072452089.db2.gz LWIGJJAXFOLONU-NUEKZKHPSA-N 0 3 386.452 -0.128 20 0 GBADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)C[C@H]12 ZINC000583316496 1072452250 /nfs/dbraw/zinc/45/22/50/1072452250.db2.gz LWIGJJAXFOLONU-VNQPRFMTSA-N 0 3 386.452 -0.128 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333327 1072454039 /nfs/dbraw/zinc/45/40/39/1072454039.db2.gz LPSCSHSTKVODLZ-KBPBESRZSA-N 0 3 383.408 -0.158 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333328 1072454031 /nfs/dbraw/zinc/45/40/31/1072454031.db2.gz LPSCSHSTKVODLZ-KGLIPLIRSA-N 0 3 383.408 -0.158 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333329 1072453761 /nfs/dbraw/zinc/45/37/61/1072453761.db2.gz LPSCSHSTKVODLZ-UONOGXRCSA-N 0 3 383.408 -0.158 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333330 1072453953 /nfs/dbraw/zinc/45/39/53/1072453953.db2.gz LPSCSHSTKVODLZ-ZIAGYGMSSA-N 0 3 383.408 -0.158 20 0 GBADHN CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000583333375 1072453642 /nfs/dbraw/zinc/45/36/42/1072453642.db2.gz NHKSDMJMGFOGNC-KBPBESRZSA-N 0 3 375.429 -0.031 20 0 GBADHN CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000583333376 1072453586 /nfs/dbraw/zinc/45/35/86/1072453586.db2.gz NHKSDMJMGFOGNC-KGLIPLIRSA-N 0 3 375.429 -0.031 20 0 GBADHN CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000583333377 1072454051 /nfs/dbraw/zinc/45/40/51/1072454051.db2.gz NHKSDMJMGFOGNC-UONOGXRCSA-N 0 3 375.429 -0.031 20 0 GBADHN CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000583333378 1072453747 /nfs/dbraw/zinc/45/37/47/1072453747.db2.gz NHKSDMJMGFOGNC-ZIAGYGMSSA-N 0 3 375.429 -0.031 20 0 GBADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1S(=O)(=O)N1CCOCC1 ZINC000583375609 1072457158 /nfs/dbraw/zinc/45/71/58/1072457158.db2.gz DGPUDBCFPPTNNO-HNNXBMFYSA-N 0 3 383.470 -0.266 20 0 GBADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)cc1S(=O)(=O)N1CCOCC1 ZINC000583375610 1072457026 /nfs/dbraw/zinc/45/70/26/1072457026.db2.gz DGPUDBCFPPTNNO-OAHLLOKOSA-N 0 3 383.470 -0.266 20 0 GBADHN CN(C)[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1O ZINC000583409046 1072460037 /nfs/dbraw/zinc/46/00/37/1072460037.db2.gz XLBPNHKEMUMTFM-HOTGVXAUSA-N 0 3 375.473 -0.356 20 0 GBADHN Cn1cc(I)c(CNC(=O)N2CCN(C)C[C@H]2CN)n1 ZINC000583430736 530107935 /nfs/dbraw/zinc/10/79/35/530107935.db2.gz FFBQOWKGNUQOLY-SECBINFHSA-N 0 3 392.245 -0.191 20 0 GBADHN Cn1cc(I)c(CNC(=O)N2CCN(C)C[C@@H]2CN)n1 ZINC000583430737 530107957 /nfs/dbraw/zinc/10/79/57/530107957.db2.gz FFBQOWKGNUQOLY-VIFPVBQESA-N 0 3 392.245 -0.191 20 0 GBADHN CC1(C)C[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C(C)(C)O1 ZINC000583432700 1072461745 /nfs/dbraw/zinc/46/17/45/1072461745.db2.gz QMHXWYMNCFIWRF-INIZCTEOSA-N 0 3 398.548 -0.045 20 0 GBADHN CC1(C)C[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C(C)(C)O1 ZINC000583432701 1072461635 /nfs/dbraw/zinc/46/16/35/1072461635.db2.gz QMHXWYMNCFIWRF-MRXNPFEDSA-N 0 3 398.548 -0.045 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452295 1072462714 /nfs/dbraw/zinc/46/27/14/1072462714.db2.gz AYKKPRZBYLUIQO-DOMZBBRYSA-N 0 3 385.424 -0.374 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452296 1072462660 /nfs/dbraw/zinc/46/26/60/1072462660.db2.gz AYKKPRZBYLUIQO-IUODEOHRSA-N 0 3 385.424 -0.374 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452297 1072463150 /nfs/dbraw/zinc/46/31/50/1072463150.db2.gz AYKKPRZBYLUIQO-SWLSCSKDSA-N 0 3 385.424 -0.374 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452298 1072463338 /nfs/dbraw/zinc/46/33/38/1072463338.db2.gz AYKKPRZBYLUIQO-WFASDCNBSA-N 0 3 385.424 -0.374 20 0 GBADHN CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000583452593 1073325514 /nfs/dbraw/zinc/32/55/14/1073325514.db2.gz QTKRJYGJUMOFCZ-CABCVRRESA-N 0 3 376.482 -0.064 20 0 GBADHN CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000583452594 1073325980 /nfs/dbraw/zinc/32/59/80/1073325980.db2.gz QTKRJYGJUMOFCZ-GJZGRUSLSA-N 0 3 376.482 -0.064 20 0 GBADHN CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000583452595 1072462632 /nfs/dbraw/zinc/46/26/32/1072462632.db2.gz QTKRJYGJUMOFCZ-HUUCEWRRSA-N 0 3 376.482 -0.064 20 0 GBADHN CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000583452596 1073325760 /nfs/dbraw/zinc/32/57/60/1073325760.db2.gz QTKRJYGJUMOFCZ-LSDHHAIUSA-N 0 3 376.482 -0.064 20 0 GBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459224 1072464081 /nfs/dbraw/zinc/46/40/81/1072464081.db2.gz IQAKSOQHGZVMSV-GQIGUUNPSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459225 1072463976 /nfs/dbraw/zinc/46/39/76/1072463976.db2.gz IQAKSOQHGZVMSV-GUXCAODWSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459226 1072464050 /nfs/dbraw/zinc/46/40/50/1072464050.db2.gz IQAKSOQHGZVMSV-JXXFODFXSA-N 0 3 396.532 -0.077 20 0 GBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459227 1072463879 /nfs/dbraw/zinc/46/38/79/1072463879.db2.gz IQAKSOQHGZVMSV-QINHECLXSA-N 0 3 396.532 -0.077 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1 ZINC000583500514 1072468192 /nfs/dbraw/zinc/46/81/92/1072468192.db2.gz ATIAGSAJXSDURP-GFCCVEGCSA-N 0 3 387.414 -0.643 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1 ZINC000583500515 1072468280 /nfs/dbraw/zinc/46/82/80/1072468280.db2.gz ATIAGSAJXSDURP-LBPRGKRZSA-N 0 3 387.414 -0.643 20 0 GBADHN CN(C)Cc1ccc(N2CCN(C(=O)C(=O)NCc3ncccn3)CC2)nc1 ZINC000583510738 1072469387 /nfs/dbraw/zinc/46/93/87/1072469387.db2.gz BILSZGLVLNQZEF-UHFFFAOYSA-N 0 3 383.456 -0.102 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000583511537 1072468840 /nfs/dbraw/zinc/46/88/40/1072468840.db2.gz KYOFYOXEUSCEMZ-KBPBESRZSA-N 0 3 390.440 -0.867 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000583511538 1072469319 /nfs/dbraw/zinc/46/93/19/1072469319.db2.gz KYOFYOXEUSCEMZ-KGLIPLIRSA-N 0 3 390.440 -0.867 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000583511539 1072468866 /nfs/dbraw/zinc/46/88/66/1072468866.db2.gz KYOFYOXEUSCEMZ-UONOGXRCSA-N 0 3 390.440 -0.867 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000583511540 1072469056 /nfs/dbraw/zinc/46/90/56/1072469056.db2.gz KYOFYOXEUSCEMZ-ZIAGYGMSSA-N 0 3 390.440 -0.867 20 0 GBADHN COCCC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000583525546 1072471587 /nfs/dbraw/zinc/47/15/87/1072471587.db2.gz SCIUJTZUXIDZTR-UHFFFAOYSA-N 0 3 380.489 -0.314 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000583525574 1072471774 /nfs/dbraw/zinc/47/17/74/1072471774.db2.gz TXTDOXKSRXZMBT-INIZCTEOSA-N 0 3 392.500 -0.029 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000583525575 1072471909 /nfs/dbraw/zinc/47/19/09/1072471909.db2.gz TXTDOXKSRXZMBT-MRXNPFEDSA-N 0 3 392.500 -0.029 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000583565783 1072474484 /nfs/dbraw/zinc/47/44/84/1072474484.db2.gz NDDGUVLPMJPTBW-HOCLYGCPSA-N 0 3 388.534 -0.061 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000583565784 1072474451 /nfs/dbraw/zinc/47/44/51/1072474451.db2.gz NDDGUVLPMJPTBW-ZBFHGGJFSA-N 0 3 388.534 -0.061 20 0 GBADHN CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2C)nn1 ZINC000583575497 1072475822 /nfs/dbraw/zinc/47/58/22/1072475822.db2.gz IBTMENJREBCUEK-GXTWGEPZSA-N 0 3 385.428 -0.247 20 0 GBADHN CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2C)nn1 ZINC000583575498 1072476101 /nfs/dbraw/zinc/47/61/01/1072476101.db2.gz IBTMENJREBCUEK-JSGCOSHPSA-N 0 3 385.428 -0.247 20 0 GBADHN CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2C)nn1 ZINC000583575499 1072475808 /nfs/dbraw/zinc/47/58/08/1072475808.db2.gz IBTMENJREBCUEK-OCCSQVGLSA-N 0 3 385.428 -0.247 20 0 GBADHN CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2C)nn1 ZINC000583575500 1072476253 /nfs/dbraw/zinc/47/62/53/1072476253.db2.gz IBTMENJREBCUEK-TZMCWYRMSA-N 0 3 385.428 -0.247 20 0 GBADHN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583575921 1072475784 /nfs/dbraw/zinc/47/57/84/1072475784.db2.gz WLRFQARIJCNFQC-BZUAXINKSA-N 0 3 387.484 -0.327 20 0 GBADHN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583575922 1072476246 /nfs/dbraw/zinc/47/62/46/1072476246.db2.gz WLRFQARIJCNFQC-OAGGEKHMSA-N 0 3 387.484 -0.327 20 0 GBADHN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583575923 1072476094 /nfs/dbraw/zinc/47/60/94/1072476094.db2.gz WLRFQARIJCNFQC-OWCLPIDISA-N 0 3 387.484 -0.327 20 0 GBADHN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583575924 1072476172 /nfs/dbraw/zinc/47/61/72/1072476172.db2.gz WLRFQARIJCNFQC-PMPSAXMXSA-N 0 3 387.484 -0.327 20 0 GBADHN O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000583614588 1072481973 /nfs/dbraw/zinc/48/19/73/1072481973.db2.gz WCPLDYVDUYJLAS-INIZCTEOSA-N 0 3 384.444 -0.586 20 0 GBADHN O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000583614589 1072481897 /nfs/dbraw/zinc/48/18/97/1072481897.db2.gz WCPLDYVDUYJLAS-MRXNPFEDSA-N 0 3 384.444 -0.586 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614833 1072481770 /nfs/dbraw/zinc/48/17/70/1072481770.db2.gz HTBCWWGTPWHGOT-DLBZAZTESA-N 0 3 376.457 -0.256 20 0 GBADHN O=C(NC[C@H]1CNCCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614834 1072482066 /nfs/dbraw/zinc/48/20/66/1072482066.db2.gz HTBCWWGTPWHGOT-IAGOWNOFSA-N 0 3 376.457 -0.256 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614835 1072482004 /nfs/dbraw/zinc/48/20/04/1072482004.db2.gz HTBCWWGTPWHGOT-IRXDYDNUSA-N 0 3 376.457 -0.256 20 0 GBADHN O=C(NC[C@H]1CNCCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614836 1072481988 /nfs/dbraw/zinc/48/19/88/1072481988.db2.gz HTBCWWGTPWHGOT-SJORKVTESA-N 0 3 376.457 -0.256 20 0 GBADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642189 1072486950 /nfs/dbraw/zinc/48/69/50/1072486950.db2.gz RLQCATINJCXMEA-CABCVRRESA-N 0 3 398.471 -0.230 20 0 GBADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642190 1072487001 /nfs/dbraw/zinc/48/70/01/1072487001.db2.gz RLQCATINJCXMEA-GJZGRUSLSA-N 0 3 398.471 -0.230 20 0 GBADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642191 1072486932 /nfs/dbraw/zinc/48/69/32/1072486932.db2.gz RLQCATINJCXMEA-HUUCEWRRSA-N 0 3 398.471 -0.230 20 0 GBADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642192 1072486903 /nfs/dbraw/zinc/48/69/03/1072486903.db2.gz RLQCATINJCXMEA-LSDHHAIUSA-N 0 3 398.471 -0.230 20 0 GBADHN Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c[nH]c2c1 ZINC000583642466 1072489001 /nfs/dbraw/zinc/48/90/01/1072489001.db2.gz CWCQIIZKPFGNKB-GDBMZVCRSA-N 0 3 383.452 -0.095 20 0 GBADHN Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c[nH]c2c1 ZINC000583642467 1072489050 /nfs/dbraw/zinc/48/90/50/1072489050.db2.gz CWCQIIZKPFGNKB-GOEBONIOSA-N 0 3 383.452 -0.095 20 0 GBADHN Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c[nH]c2c1 ZINC000583642468 1072489110 /nfs/dbraw/zinc/48/91/10/1072489110.db2.gz CWCQIIZKPFGNKB-HOCLYGCPSA-N 0 3 383.452 -0.095 20 0 GBADHN Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c[nH]c2c1 ZINC000583642469 1072488969 /nfs/dbraw/zinc/48/89/69/1072488969.db2.gz CWCQIIZKPFGNKB-ZBFHGGJFSA-N 0 3 383.452 -0.095 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642522 1072486969 /nfs/dbraw/zinc/48/69/69/1072486969.db2.gz HFYKBXCSIQADGL-KBPBESRZSA-N 0 3 387.440 -0.245 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642523 1072487187 /nfs/dbraw/zinc/48/71/87/1072487187.db2.gz HFYKBXCSIQADGL-KGLIPLIRSA-N 0 3 387.440 -0.245 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642524 1072487558 /nfs/dbraw/zinc/48/75/58/1072487558.db2.gz HFYKBXCSIQADGL-UONOGXRCSA-N 0 3 387.440 -0.245 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642525 1072487643 /nfs/dbraw/zinc/48/76/43/1072487643.db2.gz HFYKBXCSIQADGL-ZIAGYGMSSA-N 0 3 387.440 -0.245 20 0 GBADHN CCc1nnc(C2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)[nH]1 ZINC000583669036 1072494558 /nfs/dbraw/zinc/49/45/58/1072494558.db2.gz MXPGCJSEPQLBTR-UHFFFAOYSA-N 0 3 391.520 -0.221 20 0 GBADHN CCc1n[nH]c(C2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000583669036 1072494555 /nfs/dbraw/zinc/49/45/55/1072494555.db2.gz MXPGCJSEPQLBTR-UHFFFAOYSA-N 0 3 391.520 -0.221 20 0 GBADHN CCc1nc(C2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n[nH]1 ZINC000583669036 1072494552 /nfs/dbraw/zinc/49/45/52/1072494552.db2.gz MXPGCJSEPQLBTR-UHFFFAOYSA-N 0 3 391.520 -0.221 20 0 GBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CCNCC1 ZINC000583682981 1072494320 /nfs/dbraw/zinc/49/43/20/1072494320.db2.gz ZDLVAKLVWFQODM-INIZCTEOSA-N 0 3 389.504 -0.677 20 0 GBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CCNCC1 ZINC000583682982 1072494363 /nfs/dbraw/zinc/49/43/63/1072494363.db2.gz ZDLVAKLVWFQODM-MRXNPFEDSA-N 0 3 389.504 -0.677 20 0 GBADHN NC(=O)NC(=O)CCNCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000583688341 1072495584 /nfs/dbraw/zinc/49/55/84/1072495584.db2.gz DWOVFCISKCNSHE-CYBMUJFWSA-N 0 3 384.458 -0.182 20 0 GBADHN NC(=O)NC(=O)CCNCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000583688342 1072496286 /nfs/dbraw/zinc/49/62/86/1072496286.db2.gz DWOVFCISKCNSHE-ZDUSSCGKSA-N 0 3 384.458 -0.182 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000583694173 1072496583 /nfs/dbraw/zinc/49/65/83/1072496583.db2.gz ABULMDUBWOFKGU-KRWDZBQOSA-N 0 3 376.457 -0.125 20 0 GBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705010 1072497311 /nfs/dbraw/zinc/49/73/11/1072497311.db2.gz YHMCMFGCEQYYQZ-BJJXKVORSA-N 0 3 394.497 -0.189 20 0 GBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705011 1072496967 /nfs/dbraw/zinc/49/69/67/1072496967.db2.gz YHMCMFGCEQYYQZ-DUVNUKRYSA-N 0 3 394.497 -0.189 20 0 GBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705012 1072497163 /nfs/dbraw/zinc/49/71/63/1072497163.db2.gz YHMCMFGCEQYYQZ-JGGQBBKZSA-N 0 3 394.497 -0.189 20 0 GBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705013 1072497568 /nfs/dbraw/zinc/49/75/68/1072497568.db2.gz YHMCMFGCEQYYQZ-NOLJZWGESA-N 0 3 394.497 -0.189 20 0 GBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000583719454 530331751 /nfs/dbraw/zinc/33/17/51/530331751.db2.gz NCPHXYLADUNHTJ-CQSZACIVSA-N 0 3 376.523 -0.427 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000583738896 1072499956 /nfs/dbraw/zinc/49/99/56/1072499956.db2.gz DRLTZSXOAKZNLL-CVEARBPZSA-N 0 3 378.473 -0.611 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000583738897 1072499983 /nfs/dbraw/zinc/49/99/83/1072499983.db2.gz DRLTZSXOAKZNLL-HOTGVXAUSA-N 0 3 378.473 -0.611 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000583738898 1072500124 /nfs/dbraw/zinc/50/01/24/1072500124.db2.gz DRLTZSXOAKZNLL-HZPDHXFCSA-N 0 3 378.473 -0.611 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000583738899 1072500347 /nfs/dbraw/zinc/50/03/47/1072500347.db2.gz DRLTZSXOAKZNLL-JKSUJKDBSA-N 0 3 378.473 -0.611 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764520 1072502188 /nfs/dbraw/zinc/50/21/88/1072502188.db2.gz LJPOXDIYJRRXHW-KBPBESRZSA-N 0 3 383.412 -0.965 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764521 1072501627 /nfs/dbraw/zinc/50/16/27/1072501627.db2.gz LJPOXDIYJRRXHW-KGLIPLIRSA-N 0 3 383.412 -0.965 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764522 1072502325 /nfs/dbraw/zinc/50/23/25/1072502325.db2.gz LJPOXDIYJRRXHW-UONOGXRCSA-N 0 3 383.412 -0.965 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764523 1072501667 /nfs/dbraw/zinc/50/16/67/1072501667.db2.gz LJPOXDIYJRRXHW-ZIAGYGMSSA-N 0 3 383.412 -0.965 20 0 GBADHN CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000583764707 1072502202 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/nfs/dbraw/zinc/34/45/81/530344581.db2.gz QQHSUZGXDZXHMM-GFCCVEGCSA-N 0 3 377.492 -0.349 20 0 GBADHN O=S(=O)(CCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1)[N-]c1c[nH]cn1 ZINC000583883451 530344509 /nfs/dbraw/zinc/34/45/09/530344509.db2.gz QQHSUZGXDZXHMM-LBPRGKRZSA-N 0 3 377.492 -0.349 20 0 GBADHN O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1)[N-]c1c[nH]cn1 ZINC000583883451 530344507 /nfs/dbraw/zinc/34/45/07/530344507.db2.gz QQHSUZGXDZXHMM-LBPRGKRZSA-N 0 3 377.492 -0.349 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883610 1072513654 /nfs/dbraw/zinc/51/36/54/1072513654.db2.gz WDQMOOBFLCRXMQ-CABCVRRESA-N 0 3 385.424 -0.256 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883611 1072513692 /nfs/dbraw/zinc/51/36/92/1072513692.db2.gz WDQMOOBFLCRXMQ-GJZGRUSLSA-N 0 3 385.424 -0.256 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883612 1072513490 /nfs/dbraw/zinc/51/34/90/1072513490.db2.gz WDQMOOBFLCRXMQ-HUUCEWRRSA-N 0 3 385.424 -0.256 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883613 1072514093 /nfs/dbraw/zinc/51/40/93/1072514093.db2.gz WDQMOOBFLCRXMQ-LSDHHAIUSA-N 0 3 385.424 -0.256 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC(F)F)CC1 ZINC000583899559 1072514431 /nfs/dbraw/zinc/51/44/31/1072514431.db2.gz WFKYZTAQVBZYTI-GFCCVEGCSA-N 0 3 376.404 -0.503 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC(F)F)CC1 ZINC000583899560 1072514400 /nfs/dbraw/zinc/51/44/00/1072514400.db2.gz WFKYZTAQVBZYTI-LBPRGKRZSA-N 0 3 376.404 -0.503 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000583917546 1072515374 /nfs/dbraw/zinc/51/53/74/1072515374.db2.gz OMLJJZZYZCREOH-INIZCTEOSA-N 0 3 380.489 -0.221 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000583917547 1072515669 /nfs/dbraw/zinc/51/56/69/1072515669.db2.gz OMLJJZZYZCREOH-MRXNPFEDSA-N 0 3 380.489 -0.221 20 0 GBADHN CN1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](CN)C1 ZINC000583921922 530072328 /nfs/dbraw/zinc/07/23/28/530072328.db2.gz RYTJXBFGJCDCCM-SECBINFHSA-N 0 3 379.408 -0.078 20 0 GBADHN CN1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](CN)C1 ZINC000583921923 530072378 /nfs/dbraw/zinc/07/23/78/530072378.db2.gz RYTJXBFGJCDCCM-VIFPVBQESA-N 0 3 379.408 -0.078 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)N(C)Cc1ccccc1 ZINC000583939118 1072516816 /nfs/dbraw/zinc/51/68/16/1072516816.db2.gz ZDACDGYMVVRYCT-AWEZNQCLSA-N 0 3 399.451 -0.091 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)N(C)Cc1ccccc1 ZINC000583939119 1072516383 /nfs/dbraw/zinc/51/63/83/1072516383.db2.gz ZDACDGYMVVRYCT-CQSZACIVSA-N 0 3 399.451 -0.091 20 0 GBADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2)n1 ZINC000583946071 1072137733 /nfs/dbraw/zinc/13/77/33/1072137733.db2.gz PCKVDHYKZBXZTJ-CVEARBPZSA-N 0 3 382.424 -0.110 20 0 GBADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2)n1 ZINC000583946072 1072517347 /nfs/dbraw/zinc/51/73/47/1072517347.db2.gz PCKVDHYKZBXZTJ-HOTGVXAUSA-N 0 3 382.424 -0.110 20 0 GBADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)n1 ZINC000583946073 1072517649 /nfs/dbraw/zinc/51/76/49/1072517649.db2.gz PCKVDHYKZBXZTJ-HZPDHXFCSA-N 0 3 382.424 -0.110 20 0 GBADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)n1 ZINC000583946074 1072517175 /nfs/dbraw/zinc/51/71/75/1072517175.db2.gz PCKVDHYKZBXZTJ-JKSUJKDBSA-N 0 3 382.424 -0.110 20 0 GBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000583946249 1072517415 /nfs/dbraw/zinc/51/74/15/1072517415.db2.gz VDOGWZZEFRHMNJ-CABCVRRESA-N 0 3 386.518 -0.401 20 0 GBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000583946250 1072517774 /nfs/dbraw/zinc/51/77/74/1072517774.db2.gz VDOGWZZEFRHMNJ-GJZGRUSLSA-N 0 3 386.518 -0.401 20 0 GBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000583946251 1072517587 /nfs/dbraw/zinc/51/75/87/1072517587.db2.gz VDOGWZZEFRHMNJ-HUUCEWRRSA-N 0 3 386.518 -0.401 20 0 GBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000583946252 1072517523 /nfs/dbraw/zinc/51/75/23/1072517523.db2.gz VDOGWZZEFRHMNJ-LSDHHAIUSA-N 0 3 386.518 -0.401 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000583969258 530073626 /nfs/dbraw/zinc/07/36/26/530073626.db2.gz KSJFKGUNVLHIHY-CYBMUJFWSA-N 0 3 393.535 -0.626 20 0 GBADHN CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000583969259 530073763 /nfs/dbraw/zinc/07/37/63/530073763.db2.gz KSJFKGUNVLHIHY-ZDUSSCGKSA-N 0 3 393.535 -0.626 20 0 GBADHN O=C(C(=O)N1CCN(c2ncc(F)cn2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000583980331 1072519602 /nfs/dbraw/zinc/51/96/02/1072519602.db2.gz BTCRWPFYNABOEE-HNNXBMFYSA-N 0 3 376.436 -0.039 20 0 GBADHN O=C(C(=O)N1CCN(c2ncc(F)cn2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000583980332 1072519423 /nfs/dbraw/zinc/51/94/23/1072519423.db2.gz BTCRWPFYNABOEE-OAHLLOKOSA-N 0 3 376.436 -0.039 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000583980579 1072519008 /nfs/dbraw/zinc/51/90/08/1072519008.db2.gz VDPZMRVUJFDGBY-ILXRZTDVSA-N 0 3 386.518 -0.388 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000583980580 1072519199 /nfs/dbraw/zinc/51/91/99/1072519199.db2.gz VDPZMRVUJFDGBY-QLFBSQMISA-N 0 3 386.518 -0.388 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000583986166 1072520426 /nfs/dbraw/zinc/52/04/26/1072520426.db2.gz PDSWCTPWKSYQCB-UHFFFAOYSA-N 0 3 393.532 -0.258 20 0 GBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC000583994757 1072521189 /nfs/dbraw/zinc/52/11/89/1072521189.db2.gz NSXLAQILPOZYLU-INIZCTEOSA-N 0 3 399.455 -0.642 20 0 GBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC000583994758 1072521241 /nfs/dbraw/zinc/52/12/41/1072521241.db2.gz NSXLAQILPOZYLU-MRXNPFEDSA-N 0 3 399.455 -0.642 20 0 GBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000584005643 1072522191 /nfs/dbraw/zinc/52/21/91/1072522191.db2.gz CGWQBIYJXZSLDB-DVOMOZLQSA-N 0 3 390.440 -0.651 20 0 GBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000584005644 1072521740 /nfs/dbraw/zinc/52/17/40/1072521740.db2.gz CGWQBIYJXZSLDB-IOASZLSFSA-N 0 3 390.440 -0.651 20 0 GBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000584005645 1072522095 /nfs/dbraw/zinc/52/20/95/1072522095.db2.gz CGWQBIYJXZSLDB-WWGRRREGSA-N 0 3 390.440 -0.651 20 0 GBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000584005646 1072522140 /nfs/dbraw/zinc/52/21/40/1072522140.db2.gz CGWQBIYJXZSLDB-XJKCOSOUSA-N 0 3 390.440 -0.651 20 0 GBADHN Cc1ccc(C(=O)NCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000584005815 1072523164 /nfs/dbraw/zinc/52/31/64/1072523164.db2.gz LOCPNGIVYXXNLH-DZGCQCFKSA-N 0 3 377.420 -0.183 20 0 GBADHN Cc1ccc(C(=O)NCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000584005816 1072522770 /nfs/dbraw/zinc/52/27/70/1072522770.db2.gz LOCPNGIVYXXNLH-HIFRSBDPSA-N 0 3 377.420 -0.183 20 0 GBADHN Cc1ccc(C(=O)NCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000584005817 1072523119 /nfs/dbraw/zinc/52/31/19/1072523119.db2.gz LOCPNGIVYXXNLH-UKRRQHHQSA-N 0 3 377.420 -0.183 20 0 GBADHN Cc1ccc(C(=O)NCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000584005818 1072522672 /nfs/dbraw/zinc/52/26/72/1072522672.db2.gz LOCPNGIVYXXNLH-ZFWWWQNUSA-N 0 3 377.420 -0.183 20 0 GBADHN CN(C)C(=O)COc1cccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000584005997 1072522799 /nfs/dbraw/zinc/52/27/99/1072522799.db2.gz UCAGSKLZSFHLSY-DZGCQCFKSA-N 0 3 375.429 -0.071 20 0 GBADHN CN(C)C(=O)COc1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000584005998 1072523145 /nfs/dbraw/zinc/52/31/45/1072523145.db2.gz UCAGSKLZSFHLSY-HIFRSBDPSA-N 0 3 375.429 -0.071 20 0 GBADHN CN(C)C(=O)COc1cccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000584005999 1072522944 /nfs/dbraw/zinc/52/29/44/1072522944.db2.gz UCAGSKLZSFHLSY-UKRRQHHQSA-N 0 3 375.429 -0.071 20 0 GBADHN CN(C)C(=O)COc1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000584006000 1072523071 /nfs/dbraw/zinc/52/30/71/1072523071.db2.gz UCAGSKLZSFHLSY-ZFWWWQNUSA-N 0 3 375.429 -0.071 20 0 GBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)N1CCCC1 ZINC000584028223 1072525931 /nfs/dbraw/zinc/52/59/31/1072525931.db2.gz SUQKQBLEBNEFSB-AWEZNQCLSA-N 0 3 392.460 -0.719 20 0 GBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)N1CCCC1 ZINC000584028224 1072525719 /nfs/dbraw/zinc/52/57/19/1072525719.db2.gz SUQKQBLEBNEFSB-CQSZACIVSA-N 0 3 392.460 -0.719 20 0 GBADHN O=C(C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000584047539 1072526743 /nfs/dbraw/zinc/52/67/43/1072526743.db2.gz NISIIPINTBVZQT-DLBZAZTESA-N 0 3 389.500 -0.871 20 0 GBADHN O=C(C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000584047540 1072526676 /nfs/dbraw/zinc/52/66/76/1072526676.db2.gz NISIIPINTBVZQT-IAGOWNOFSA-N 0 3 389.500 -0.871 20 0 GBADHN O=C(C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000584047541 1072526717 /nfs/dbraw/zinc/52/67/17/1072526717.db2.gz NISIIPINTBVZQT-IRXDYDNUSA-N 0 3 389.500 -0.871 20 0 GBADHN O=C(C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000584047542 1072526929 /nfs/dbraw/zinc/52/69/29/1072526929.db2.gz NISIIPINTBVZQT-SJORKVTESA-N 0 3 389.500 -0.871 20 0 GBADHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584064660 1072527641 /nfs/dbraw/zinc/52/76/41/1072527641.db2.gz JRFHKGHGUVVVPA-GXTWGEPZSA-N 0 3 393.875 -0.053 20 0 GBADHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584064661 1072527342 /nfs/dbraw/zinc/52/73/42/1072527342.db2.gz JRFHKGHGUVVVPA-JSGCOSHPSA-N 0 3 393.875 -0.053 20 0 GBADHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584064662 1072527385 /nfs/dbraw/zinc/52/73/85/1072527385.db2.gz JRFHKGHGUVVVPA-OCCSQVGLSA-N 0 3 393.875 -0.053 20 0 GBADHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584064663 1072527769 /nfs/dbraw/zinc/52/77/69/1072527769.db2.gz JRFHKGHGUVVVPA-TZMCWYRMSA-N 0 3 393.875 -0.053 20 0 GBADHN CN(C(=O)[C@@H](N)CC(F)F)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000584114093 1072530036 /nfs/dbraw/zinc/53/00/36/1072530036.db2.gz BWFAGLXBTWPEMV-AWEZNQCLSA-N 0 3 375.464 -0.334 20 0 GBADHN CN(C(=O)[C@H](N)CC(F)F)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000584114094 1072530207 /nfs/dbraw/zinc/53/02/07/1072530207.db2.gz BWFAGLXBTWPEMV-CQSZACIVSA-N 0 3 375.464 -0.334 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000584119607 1072536765 /nfs/dbraw/zinc/53/67/65/1072536765.db2.gz WDFVZGYRKGUWIN-BBWFWOEESA-N 0 3 385.505 -0.151 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000584119608 1072531472 /nfs/dbraw/zinc/53/14/72/1072531472.db2.gz WDFVZGYRKGUWIN-BRWVUGGUSA-N 0 3 385.505 -0.151 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000584119609 1072531590 /nfs/dbraw/zinc/53/15/90/1072531590.db2.gz WDFVZGYRKGUWIN-GVDBMIGSSA-N 0 3 385.505 -0.151 20 0 GBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000584119610 1072531655 /nfs/dbraw/zinc/53/16/55/1072531655.db2.gz WDFVZGYRKGUWIN-ZACQAIPSSA-N 0 3 385.505 -0.151 20 0 GBADHN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2NC1=O ZINC000584124336 1072531076 /nfs/dbraw/zinc/53/10/76/1072531076.db2.gz CEWNTJMCAUYYIE-DLOVCJGASA-N 0 3 387.396 -0.885 20 0 GBADHN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2NC1=O ZINC000584124337 1072531820 /nfs/dbraw/zinc/53/18/20/1072531820.db2.gz CEWNTJMCAUYYIE-MVWJERBFSA-N 0 3 387.396 -0.885 20 0 GBADHN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2NC1=O ZINC000584124338 1072531041 /nfs/dbraw/zinc/53/10/41/1072531041.db2.gz CEWNTJMCAUYYIE-WCQGTBRESA-N 0 3 387.396 -0.885 20 0 GBADHN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2NC1=O ZINC000584124339 1072531352 /nfs/dbraw/zinc/53/13/52/1072531352.db2.gz CEWNTJMCAUYYIE-ZMLRMANQSA-N 0 3 387.396 -0.885 20 0 GBADHN Cn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000584125312 1072531445 /nfs/dbraw/zinc/53/14/45/1072531445.db2.gz YYOKIURRGBCKTE-CVEARBPZSA-N 0 3 396.451 -0.526 20 0 GBADHN Cn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000584125313 1072531265 /nfs/dbraw/zinc/53/12/65/1072531265.db2.gz YYOKIURRGBCKTE-HOTGVXAUSA-N 0 3 396.451 -0.526 20 0 GBADHN Cn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000584125314 1072531619 /nfs/dbraw/zinc/53/16/19/1072531619.db2.gz YYOKIURRGBCKTE-HZPDHXFCSA-N 0 3 396.451 -0.526 20 0 GBADHN Cn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000584125315 1072531685 /nfs/dbraw/zinc/53/16/85/1072531685.db2.gz YYOKIURRGBCKTE-JKSUJKDBSA-N 0 3 396.451 -0.526 20 0 GBADHN CC[NH2+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000584162744 1072534192 /nfs/dbraw/zinc/53/41/92/1072534192.db2.gz ZJUUIRBBMPBRMN-UHFFFAOYSA-N 0 3 392.428 -0.525 20 0 GBADHN CCn1cc(-c2[nH]ncc2C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cn1 ZINC000584172093 1072535352 /nfs/dbraw/zinc/53/53/52/1072535352.db2.gz XSSRANBALBHRHM-UHFFFAOYSA-N 0 3 393.473 -0.648 20 0 GBADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000584178030 1072536149 /nfs/dbraw/zinc/53/61/49/1072536149.db2.gz XZNAYOUCYLLWAM-MRXNPFEDSA-N 0 3 384.502 -0.740 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000584183898 1072536451 /nfs/dbraw/zinc/53/64/51/1072536451.db2.gz AYBPLYFYBJOBKP-GWCFXTLKSA-N 0 3 399.448 -0.148 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000584183899 1072536381 /nfs/dbraw/zinc/53/63/81/1072536381.db2.gz AYBPLYFYBJOBKP-GXFFZTMASA-N 0 3 399.448 -0.148 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000584183900 1072536222 /nfs/dbraw/zinc/53/62/22/1072536222.db2.gz AYBPLYFYBJOBKP-MFKMUULPSA-N 0 3 399.448 -0.148 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000584183901 1072536358 /nfs/dbraw/zinc/53/63/58/1072536358.db2.gz AYBPLYFYBJOBKP-ZWNOBZJWSA-N 0 3 399.448 -0.148 20 0 GBADHN Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1-c1ccccc1 ZINC000584183967 1072536533 /nfs/dbraw/zinc/53/65/33/1072536533.db2.gz FMCLOOMCWDIGKM-KBPBESRZSA-N 0 3 382.424 -0.204 20 0 GBADHN Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1-c1ccccc1 ZINC000584183968 1072536405 /nfs/dbraw/zinc/53/64/05/1072536405.db2.gz FMCLOOMCWDIGKM-KGLIPLIRSA-N 0 3 382.424 -0.204 20 0 GBADHN Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1-c1ccccc1 ZINC000584183969 1072536512 /nfs/dbraw/zinc/53/65/12/1072536512.db2.gz FMCLOOMCWDIGKM-UONOGXRCSA-N 0 3 382.424 -0.204 20 0 GBADHN Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1-c1ccccc1 ZINC000584183970 1072536599 /nfs/dbraw/zinc/53/65/99/1072536599.db2.gz FMCLOOMCWDIGKM-ZIAGYGMSSA-N 0 3 382.424 -0.204 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)CN1CCOCC1)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC000584193661 1072536301 /nfs/dbraw/zinc/53/63/01/1072536301.db2.gz ZMMMYLUWCHHSCB-BCDXTJNWSA-N 0 3 398.548 -0.209 20 0 GBADHN CC(CNC(=O)[C@H](C)CN1CCOCC1)CNC(=O)[C@H](C)CN1CCOCC1 ZINC000584193662 1072536086 /nfs/dbraw/zinc/53/60/86/1072536086.db2.gz ZMMMYLUWCHHSCB-QZTJIDSGSA-N 0 3 398.548 -0.209 20 0 GBADHN CC(CNC(=O)[C@@H](C)CN1CCOCC1)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC000584193663 1072535934 /nfs/dbraw/zinc/53/59/34/1072535934.db2.gz ZMMMYLUWCHHSCB-ROUUACIJSA-N 0 3 398.548 -0.209 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@H]1CN(C)C ZINC000584206016 530089635 /nfs/dbraw/zinc/08/96/35/530089635.db2.gz DMZLWHHJPGVVQE-AWEZNQCLSA-N 0 3 376.523 -0.237 20 0 GBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000584206017 530089569 /nfs/dbraw/zinc/08/95/69/530089569.db2.gz DMZLWHHJPGVVQE-CQSZACIVSA-N 0 3 376.523 -0.237 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000584217884 1072538856 /nfs/dbraw/zinc/53/88/56/1072538856.db2.gz WFPPBAZXTSECKO-KRWDZBQOSA-N 0 3 393.532 -0.304 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000584217885 1072538348 /nfs/dbraw/zinc/53/83/48/1072538348.db2.gz WFPPBAZXTSECKO-QGZVFWFLSA-N 0 3 393.532 -0.304 20 0 GBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000584218083 1072538153 /nfs/dbraw/zinc/53/81/53/1072538153.db2.gz CEBFVEPPHTXIIF-GOSISDBHSA-N 0 3 377.533 -0.080 20 0 GBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000584218084 1072539152 /nfs/dbraw/zinc/53/91/52/1072539152.db2.gz CEBFVEPPHTXIIF-SFHVURJKSA-N 0 3 377.533 -0.080 20 0 GBADHN O=S(=O)(NC[C@H]1CNCCO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000584222662 530089551 /nfs/dbraw/zinc/08/95/51/530089551.db2.gz ZBPLSQHADMBHGP-GFCCVEGCSA-N 0 3 375.472 -0.606 20 0 GBADHN O=S(=O)(NC[C@@H]1CNCCO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000584222663 530089545 /nfs/dbraw/zinc/08/95/45/530089545.db2.gz ZBPLSQHADMBHGP-LBPRGKRZSA-N 0 3 375.472 -0.606 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000584230645 1072538920 /nfs/dbraw/zinc/53/89/20/1072538920.db2.gz PVTVMDDUNJMEGH-BZPMIXESSA-N 0 3 381.433 -0.262 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584230646 1072540627 /nfs/dbraw/zinc/54/06/27/1072540627.db2.gz PVTVMDDUNJMEGH-MBNYWOFBSA-N 0 3 381.433 -0.262 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000584230647 1072538331 /nfs/dbraw/zinc/53/83/31/1072538331.db2.gz PVTVMDDUNJMEGH-OBJOEFQTSA-N 0 3 381.433 -0.262 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584230648 1072538810 /nfs/dbraw/zinc/53/88/10/1072538810.db2.gz PVTVMDDUNJMEGH-SCRDCRAPSA-N 0 3 381.433 -0.262 20 0 GBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000584232462 1072540190 /nfs/dbraw/zinc/54/01/90/1072540190.db2.gz WCNPOHCACLKASL-AEFFLSMTSA-N 0 3 390.484 -0.777 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000584232463 1072540654 /nfs/dbraw/zinc/54/06/54/1072540654.db2.gz WCNPOHCACLKASL-FUHWJXTLSA-N 0 3 390.484 -0.777 20 0 GBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000584232464 1072539643 /nfs/dbraw/zinc/53/96/43/1072539643.db2.gz WCNPOHCACLKASL-SJLPKXTDSA-N 0 3 390.484 -0.777 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000584232465 1072539886 /nfs/dbraw/zinc/53/98/86/1072539886.db2.gz WCNPOHCACLKASL-WMZOPIPTSA-N 0 3 390.484 -0.777 20 0 GBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000584248716 1072541691 /nfs/dbraw/zinc/54/16/91/1072541691.db2.gz BBHZTZKZSKDKPL-UHFFFAOYSA-N 0 3 387.550 -0.645 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000584260210 1072541870 /nfs/dbraw/zinc/54/18/70/1072541870.db2.gz UXJZOFOIUPKADZ-FMKPAKJESA-N 0 3 376.461 -0.544 20 0 GBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000584260211 1072541216 /nfs/dbraw/zinc/54/12/16/1072541216.db2.gz UXJZOFOIUPKADZ-LZWOXQAQSA-N 0 3 376.461 -0.544 20 0 GBADHN CSC1(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC[NH+](C)CC1 ZINC000584265042 530101693 /nfs/dbraw/zinc/10/16/93/530101693.db2.gz KNMSIPFIKXXIDT-UHFFFAOYSA-N 0 3 389.547 -0.050 20 0 GBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cn1C ZINC000584266342 1072542413 /nfs/dbraw/zinc/54/24/13/1072542413.db2.gz AYEHXOPBYBISCZ-CYBMUJFWSA-N 0 3 399.517 -0.281 20 0 GBADHN COc1ccc(CCNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1S(N)(=O)=O ZINC000584292291 1072543728 /nfs/dbraw/zinc/54/37/28/1072543728.db2.gz CZOLNRQUELAHKW-HNNXBMFYSA-N 0 3 386.474 -0.899 20 0 GBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000584302386 1072543865 /nfs/dbraw/zinc/54/38/65/1072543865.db2.gz BYZGJPYTRMYPRG-QLFBSQMISA-N 0 3 386.518 -0.954 20 0 GBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000584302387 1072543508 /nfs/dbraw/zinc/54/35/08/1072543508.db2.gz BYZGJPYTRMYPRG-RBSFLKMASA-N 0 3 386.518 -0.954 20 0 GBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000584302388 1072543077 /nfs/dbraw/zinc/54/30/77/1072543077.db2.gz BYZGJPYTRMYPRG-RRFJBIMHSA-N 0 3 386.518 -0.954 20 0 GBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000584302389 1072543188 /nfs/dbraw/zinc/54/31/88/1072543188.db2.gz BYZGJPYTRMYPRG-SOUVJXGZSA-N 0 3 386.518 -0.954 20 0 GBADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cn2)n1 ZINC000584302408 1072543577 /nfs/dbraw/zinc/54/35/77/1072543577.db2.gz CRBIZPASAVMMEI-CABCVRRESA-N 0 3 397.439 -0.407 20 0 GBADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cn2)n1 ZINC000584302409 1072543902 /nfs/dbraw/zinc/54/39/02/1072543902.db2.gz CRBIZPASAVMMEI-GJZGRUSLSA-N 0 3 397.439 -0.407 20 0 GBADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cn2)n1 ZINC000584302410 1072543249 /nfs/dbraw/zinc/54/32/49/1072543249.db2.gz CRBIZPASAVMMEI-HUUCEWRRSA-N 0 3 397.439 -0.407 20 0 GBADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cn2)n1 ZINC000584302411 1072543482 /nfs/dbraw/zinc/54/34/82/1072543482.db2.gz CRBIZPASAVMMEI-LSDHHAIUSA-N 0 3 397.439 -0.407 20 0 GBADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCC(=O)N1CCNCC1 ZINC000584340685 1072546570 /nfs/dbraw/zinc/54/65/70/1072546570.db2.gz ABCHCODGDWYCJF-UHFFFAOYSA-N 0 3 388.516 -0.118 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)CC1=O ZINC000584356821 1072547954 /nfs/dbraw/zinc/54/79/54/1072547954.db2.gz FWAKFMZOOCGRGL-AWEZNQCLSA-N 0 3 380.445 -0.387 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)CNC(=O)c2ccoc2C)CC1=O ZINC000584356822 1072547312 /nfs/dbraw/zinc/54/73/12/1072547312.db2.gz FWAKFMZOOCGRGL-CQSZACIVSA-N 0 3 380.445 -0.387 20 0 GBADHN COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)nn2)cc1 ZINC000584362543 1072547475 /nfs/dbraw/zinc/54/74/75/1072547475.db2.gz HGUYOXYYAFLEHK-GDBMZVCRSA-N 0 3 385.428 -0.271 20 0 GBADHN COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)nn2)cc1 ZINC000584362544 1072547787 /nfs/dbraw/zinc/54/77/87/1072547787.db2.gz HGUYOXYYAFLEHK-GOEBONIOSA-N 0 3 385.428 -0.271 20 0 GBADHN COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)nn2)cc1 ZINC000584362545 1072547630 /nfs/dbraw/zinc/54/76/30/1072547630.db2.gz HGUYOXYYAFLEHK-HOCLYGCPSA-N 0 3 385.428 -0.271 20 0 GBADHN COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)nn2)cc1 ZINC000584362546 1072548431 /nfs/dbraw/zinc/54/84/31/1072548431.db2.gz HGUYOXYYAFLEHK-ZBFHGGJFSA-N 0 3 385.428 -0.271 20 0 GBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1F ZINC000584362633 1072549054 /nfs/dbraw/zinc/54/90/54/1072549054.db2.gz MONWGEUPUUFBBW-GDBMZVCRSA-N 0 3 391.447 -0.726 20 0 GBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1F ZINC000584362634 1072548617 /nfs/dbraw/zinc/54/86/17/1072548617.db2.gz MONWGEUPUUFBBW-GOEBONIOSA-N 0 3 391.447 -0.726 20 0 GBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1F ZINC000584362635 1072548657 /nfs/dbraw/zinc/54/86/57/1072548657.db2.gz MONWGEUPUUFBBW-HOCLYGCPSA-N 0 3 391.447 -0.726 20 0 GBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1F ZINC000584362636 1072548553 /nfs/dbraw/zinc/54/85/53/1072548553.db2.gz MONWGEUPUUFBBW-ZBFHGGJFSA-N 0 3 391.447 -0.726 20 0 GBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nc(C2CC2)no1 ZINC000584362776 1072548996 /nfs/dbraw/zinc/54/89/96/1072548996.db2.gz YMAOHOWIWSEZNN-AGIUHOORSA-N 0 3 390.444 -0.469 20 0 GBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nc(C2CC2)no1 ZINC000584362777 1072548594 /nfs/dbraw/zinc/54/85/94/1072548594.db2.gz YMAOHOWIWSEZNN-AVGNSLFASA-N 0 3 390.444 -0.469 20 0 GBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nc(C2CC2)no1 ZINC000584362778 1072548788 /nfs/dbraw/zinc/54/87/88/1072548788.db2.gz YMAOHOWIWSEZNN-UPJWGTAASA-N 0 3 390.444 -0.469 20 0 GBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nc(C2CC2)no1 ZINC000584362779 1072548525 /nfs/dbraw/zinc/54/85/25/1072548525.db2.gz YMAOHOWIWSEZNN-XQQFMLRXSA-N 0 3 390.444 -0.469 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000584396860 1072551309 /nfs/dbraw/zinc/55/13/09/1072551309.db2.gz XKGQCHXKJODDJN-DLBZAZTESA-N 0 3 389.500 -0.776 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000584396861 1072551856 /nfs/dbraw/zinc/55/18/56/1072551856.db2.gz XKGQCHXKJODDJN-IAGOWNOFSA-N 0 3 389.500 -0.776 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000584396862 1072551279 /nfs/dbraw/zinc/55/12/79/1072551279.db2.gz XKGQCHXKJODDJN-IRXDYDNUSA-N 0 3 389.500 -0.776 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000584396863 1072551371 /nfs/dbraw/zinc/55/13/71/1072551371.db2.gz XKGQCHXKJODDJN-SJORKVTESA-N 0 3 389.500 -0.776 20 0 GBADHN C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)CN1 ZINC000584400025 1072552968 /nfs/dbraw/zinc/55/29/68/1072552968.db2.gz RZRWOBHVEHSRAO-CABCVRRESA-N 0 3 375.477 -0.093 20 0 GBADHN C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)CN1 ZINC000584400026 1072552316 /nfs/dbraw/zinc/55/23/16/1072552316.db2.gz RZRWOBHVEHSRAO-GJZGRUSLSA-N 0 3 375.477 -0.093 20 0 GBADHN C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)CN1 ZINC000584400027 1072552291 /nfs/dbraw/zinc/55/22/91/1072552291.db2.gz RZRWOBHVEHSRAO-HUUCEWRRSA-N 0 3 375.477 -0.093 20 0 GBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000584400028 1072552304 /nfs/dbraw/zinc/55/23/04/1072552304.db2.gz RZRWOBHVEHSRAO-LSDHHAIUSA-N 0 3 375.477 -0.093 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000584411344 1072553445 /nfs/dbraw/zinc/55/34/45/1072553445.db2.gz WWRSOZHXDMHGER-CABCVRRESA-N 0 3 383.470 -0.138 20 0 GBADHN O=C(NC[C@@H]1CNCCO1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000584411347 1072553624 /nfs/dbraw/zinc/55/36/24/1072553624.db2.gz WWRSOZHXDMHGER-GJZGRUSLSA-N 0 3 383.470 -0.138 20 0 GBADHN O=C(NC[C@H]1CNCCO1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000584411350 1072553581 /nfs/dbraw/zinc/55/35/81/1072553581.db2.gz WWRSOZHXDMHGER-HUUCEWRRSA-N 0 3 383.470 -0.138 20 0 GBADHN O=C(NC[C@H]1CNCCO1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000584411351 1072553998 /nfs/dbraw/zinc/55/39/98/1072553998.db2.gz WWRSOZHXDMHGER-LSDHHAIUSA-N 0 3 383.470 -0.138 20 0 GBADHN COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584421828 1072556111 /nfs/dbraw/zinc/55/61/11/1072556111.db2.gz FPOKGWNKSZECNX-DMDPSCGWSA-N 0 3 378.404 -0.218 20 0 GBADHN COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584421829 1072555767 /nfs/dbraw/zinc/55/57/67/1072555767.db2.gz FPOKGWNKSZECNX-GMXVVIOVSA-N 0 3 378.404 -0.218 20 0 GBADHN COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584421830 1072556242 /nfs/dbraw/zinc/55/62/42/1072556242.db2.gz FPOKGWNKSZECNX-GVXVVHGQSA-N 0 3 378.404 -0.218 20 0 GBADHN COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584421831 1072555880 /nfs/dbraw/zinc/55/58/80/1072555880.db2.gz FPOKGWNKSZECNX-LOWVWBTDSA-N 0 3 378.404 -0.218 20 0 GBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422481 1072555921 /nfs/dbraw/zinc/55/59/21/1072555921.db2.gz YOOLPIXENRIZNV-CVEARBPZSA-N 0 3 399.451 -0.800 20 0 GBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422482 1072556163 /nfs/dbraw/zinc/55/61/63/1072556163.db2.gz YOOLPIXENRIZNV-HOTGVXAUSA-N 0 3 399.451 -0.800 20 0 GBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422483 1072556030 /nfs/dbraw/zinc/55/60/30/1072556030.db2.gz YOOLPIXENRIZNV-HZPDHXFCSA-N 0 3 399.451 -0.800 20 0 GBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422484 1072555589 /nfs/dbraw/zinc/55/55/89/1072555589.db2.gz YOOLPIXENRIZNV-JKSUJKDBSA-N 0 3 399.451 -0.800 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCOCC2(CCOCC2)C1)CN1CCN(C)CC1 ZINC000584425469 1072556910 /nfs/dbraw/zinc/55/69/10/1072556910.db2.gz YNEGJRLMYREYGB-KRWDZBQOSA-N 0 3 396.532 -0.358 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCOCC2(CCOCC2)C1)CN1CCN(C)CC1 ZINC000584425470 1072556547 /nfs/dbraw/zinc/55/65/47/1072556547.db2.gz YNEGJRLMYREYGB-QGZVFWFLSA-N 0 3 396.532 -0.358 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000584438319 1072559363 /nfs/dbraw/zinc/55/93/63/1072559363.db2.gz SFHSYLISTGEMOS-INIZCTEOSA-N 0 3 395.548 -0.155 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000584438320 1072559777 /nfs/dbraw/zinc/55/97/77/1072559777.db2.gz SFHSYLISTGEMOS-MRXNPFEDSA-N 0 3 395.548 -0.155 20 0 GBADHN CCN1CCC(NC(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000584439231 530331817 /nfs/dbraw/zinc/33/18/17/530331817.db2.gz KVNDMJTUNYGXFS-UHFFFAOYSA-N 0 3 375.539 -0.599 20 0 GBADHN C[C@@H]1CN(C[C@@H](O)CNCCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000584464756 530343605 /nfs/dbraw/zinc/34/36/05/530343605.db2.gz HQRVHFMVRZVTRE-KFWWJZLASA-N 0 3 381.564 -0.575 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNCCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000584464757 530343503 /nfs/dbraw/zinc/34/35/03/530343503.db2.gz HQRVHFMVRZVTRE-QLFBSQMISA-N 0 3 381.564 -0.575 20 0 GBADHN C[C@@H]1CN(C[C@H](O)CNCCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000584464758 530343420 /nfs/dbraw/zinc/34/34/20/530343420.db2.gz HQRVHFMVRZVTRE-RBSFLKMASA-N 0 3 381.564 -0.575 20 0 GBADHN C[C@@H]1CN(C[C@@H](O)CNCCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000584464759 530343626 /nfs/dbraw/zinc/34/36/26/530343626.db2.gz HQRVHFMVRZVTRE-ZNMIVQPWSA-N 0 3 381.564 -0.575 20 0 GBADHN COc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1OC ZINC000584479356 1072817559 /nfs/dbraw/zinc/81/75/59/1072817559.db2.gz SPFFJOKHLMYFLU-STQMWFEESA-N 0 3 387.458 -0.885 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000584483916 1072824309 /nfs/dbraw/zinc/82/43/09/1072824309.db2.gz IXRMGWBLZFFNJH-GOSISDBHSA-N 0 3 399.561 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N[C@@H]1C[C@H]2CN(S(=O)(=O)Cc3ncsc3Br)CCN2C1=O ZINC000601342655 530144861 /nfs/dbraw/zinc/14/48/61/530144861.db2.gz FRAGNPMLQXUBSP-JGVFFNPUSA-N 0 3 395.304 -0.021 20 0 GBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ncsc3Br)CCN2C1=O ZINC000601342658 530144874 /nfs/dbraw/zinc/14/48/74/530144874.db2.gz FRAGNPMLQXUBSP-SFYZADRCSA-N 0 3 395.304 -0.021 20 0 GBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)Cc3ncsc3Br)CCN2C1=O ZINC000601342660 530145041 /nfs/dbraw/zinc/14/50/41/530145041.db2.gz FRAGNPMLQXUBSP-YUMQZZPRSA-N 0 3 395.304 -0.021 20 0 GBADHN COC(=O)CN(CCN1CCOCC1)S(=O)(=O)CCCN1CCCC1 ZINC000601343338 530144628 /nfs/dbraw/zinc/14/46/28/530144628.db2.gz NHPYPXXQBHZZKH-UHFFFAOYSA-N 0 3 377.507 -0.391 20 0 GBADHN COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)CC1(N(C)C)CC1 ZINC000601408786 530147173 /nfs/dbraw/zinc/14/71/73/530147173.db2.gz FHSMCAUSVDROJF-UHFFFAOYSA-N 0 3 376.523 -0.867 20 0 GBADHN CCN1CCN(CCC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)CC1 ZINC000601798180 530187995 /nfs/dbraw/zinc/18/79/95/530187995.db2.gz 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CCN1CCN(C[C@H](C)CNC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000608640013 530288394 /nfs/dbraw/zinc/28/83/94/530288394.db2.gz DIEMTTJUTDCKDH-OAHLLOKOSA-N 0 3 377.555 -0.159 20 0 GBADHN C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000608661040 530288337 /nfs/dbraw/zinc/28/83/37/530288337.db2.gz GCWWQGARAFODKE-CABCVRRESA-N 0 3 375.539 -0.312 20 0 GBADHN C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000608661041 530288562 /nfs/dbraw/zinc/28/85/62/530288562.db2.gz GCWWQGARAFODKE-GJZGRUSLSA-N 0 3 375.539 -0.312 20 0 GBADHN C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000608661042 530288313 /nfs/dbraw/zinc/28/83/13/530288313.db2.gz GCWWQGARAFODKE-HUUCEWRRSA-N 0 3 375.539 -0.312 20 0 GBADHN C[C@H]1C[C@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000608661043 530288514 /nfs/dbraw/zinc/28/85/14/530288514.db2.gz GCWWQGARAFODKE-LSDHHAIUSA-N 0 3 375.539 -0.312 20 0 GBADHN C[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)CN1CCN(C)CC1 ZINC000608664440 530288480 /nfs/dbraw/zinc/28/84/80/530288480.db2.gz CFRWACRAKCETEC-HNNXBMFYSA-N 0 3 375.539 -0.405 20 0 GBADHN C[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)CN1CCN(C)CC1 ZINC000608664441 530288511 /nfs/dbraw/zinc/28/85/11/530288511.db2.gz CFRWACRAKCETEC-OAHLLOKOSA-N 0 3 375.539 -0.405 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000608676555 530288958 /nfs/dbraw/zinc/28/89/58/530288958.db2.gz NWYNYVNACIIGTN-AWEZNQCLSA-N 0 3 377.555 -0.113 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000608676557 530288939 /nfs/dbraw/zinc/28/89/39/530288939.db2.gz NWYNYVNACIIGTN-CQSZACIVSA-N 0 3 377.555 -0.113 20 0 GBADHN C[C@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000608709070 530290099 /nfs/dbraw/zinc/29/00/99/530290099.db2.gz YBODOKXXZRJWPH-CABCVRRESA-N 0 3 375.539 -0.407 20 0 GBADHN C[C@@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000608709071 530290125 /nfs/dbraw/zinc/29/01/25/530290125.db2.gz YBODOKXXZRJWPH-GJZGRUSLSA-N 0 3 375.539 -0.407 20 0 GBADHN C[C@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000608709072 530290071 /nfs/dbraw/zinc/29/00/71/530290071.db2.gz YBODOKXXZRJWPH-HUUCEWRRSA-N 0 3 375.539 -0.407 20 0 GBADHN C[C@@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000608709073 530290140 /nfs/dbraw/zinc/29/01/40/530290140.db2.gz YBODOKXXZRJWPH-LSDHHAIUSA-N 0 3 375.539 -0.407 20 0 GBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000609157913 530082231 /nfs/dbraw/zinc/08/22/31/530082231.db2.gz IMLPPOPSUUDEKG-HNNXBMFYSA-N 0 3 378.539 -0.069 20 0 GBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000609157914 530082278 /nfs/dbraw/zinc/08/22/78/530082278.db2.gz IMLPPOPSUUDEKG-OAHLLOKOSA-N 0 3 378.539 -0.069 20 0 GBADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000609314503 530083640 /nfs/dbraw/zinc/08/36/40/530083640.db2.gz KIBJQOFSHWEHLE-HNNXBMFYSA-N 0 3 376.523 -0.124 20 0 GBADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000609314506 530083555 /nfs/dbraw/zinc/08/35/55/530083555.db2.gz KIBJQOFSHWEHLE-OAHLLOKOSA-N 0 3 376.523 -0.124 20 0 GBADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610727174 1072243420 /nfs/dbraw/zinc/24/34/20/1072243420.db2.gz HBRCXYRLMKYGSD-MSOLQXFVSA-N 0 3 393.532 -0.260 20 0 GBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610727175 1072243444 /nfs/dbraw/zinc/24/34/44/1072243444.db2.gz HBRCXYRLMKYGSD-QZTJIDSGSA-N 0 3 393.532 -0.260 20 0 GBADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000610727176 1072243232 /nfs/dbraw/zinc/24/32/32/1072243232.db2.gz HBRCXYRLMKYGSD-ROUUACIJSA-N 0 3 393.532 -0.260 20 0 GBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000610727177 1072243188 /nfs/dbraw/zinc/24/31/88/1072243188.db2.gz HBRCXYRLMKYGSD-ZWKOTPCHSA-N 0 3 393.532 -0.260 20 0 GBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000611019108 530345899 /nfs/dbraw/zinc/34/58/99/530345899.db2.gz BPQTZTFOKUFUKL-CABCVRRESA-N 0 3 377.507 -0.057 20 0 GBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000611019109 530345849 /nfs/dbraw/zinc/34/58/49/530345849.db2.gz BPQTZTFOKUFUKL-GJZGRUSLSA-N 0 3 377.507 -0.057 20 0 GBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000611019110 530346164 /nfs/dbraw/zinc/34/61/64/530346164.db2.gz BPQTZTFOKUFUKL-HUUCEWRRSA-N 0 3 377.507 -0.057 20 0 GBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000611019111 530346190 /nfs/dbraw/zinc/34/61/90/530346190.db2.gz BPQTZTFOKUFUKL-LSDHHAIUSA-N 0 3 377.507 -0.057 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)CC2 ZINC000611657532 1072376371 /nfs/dbraw/zinc/37/63/71/1072376371.db2.gz MOBFXWYANIBZKC-CHWSQXEVSA-N 0 3 378.477 -0.156 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)CC2 ZINC000611657533 1072376123 /nfs/dbraw/zinc/37/61/23/1072376123.db2.gz MOBFXWYANIBZKC-OLZOCXBDSA-N 0 3 378.477 -0.156 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)CC2 ZINC000611657534 1072375614 /nfs/dbraw/zinc/37/56/14/1072375614.db2.gz MOBFXWYANIBZKC-QWHCGFSZSA-N 0 3 378.477 -0.156 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)CC2 ZINC000611657535 1072375728 /nfs/dbraw/zinc/37/57/28/1072375728.db2.gz MOBFXWYANIBZKC-STQMWFEESA-N 0 3 378.477 -0.156 20 0 GBADHN CCN(C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1)[C@H]1CCN(CC)C1 ZINC000611657576 1072376400 /nfs/dbraw/zinc/37/64/00/1072376400.db2.gz NEPOXAUIBPMKLL-KBPBESRZSA-N 0 3 378.477 -0.202 20 0 GBADHN CCN(C(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1)[C@H]1CCN(CC)C1 ZINC000611657577 1072375894 /nfs/dbraw/zinc/37/58/94/1072375894.db2.gz NEPOXAUIBPMKLL-KGLIPLIRSA-N 0 3 378.477 -0.202 20 0 GBADHN CCN(C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1)[C@@H]1CCN(CC)C1 ZINC000611657578 1072376249 /nfs/dbraw/zinc/37/62/49/1072376249.db2.gz NEPOXAUIBPMKLL-UONOGXRCSA-N 0 3 378.477 -0.202 20 0 GBADHN CCN(C(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1)[C@@H]1CCN(CC)C1 ZINC000611657579 1072376305 /nfs/dbraw/zinc/37/63/05/1072376305.db2.gz NEPOXAUIBPMKLL-ZIAGYGMSSA-N 0 3 378.477 -0.202 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000611722309 1072402330 /nfs/dbraw/zinc/40/23/30/1072402330.db2.gz GAMCUNZOBYNQRC-HUUCEWRRSA-N 0 3 388.534 -0.237 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H](C)C3=CCN(C)CC3)C[C@H]21 ZINC000611760926 1072450452 /nfs/dbraw/zinc/45/04/52/1072450452.db2.gz XQGIKDJSBCRDJD-BEAPCOKYSA-N 0 3 385.486 -0.977 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H](C)C3=CCN(C)CC3)C[C@H]21 ZINC000611760927 1072450087 /nfs/dbraw/zinc/45/00/87/1072450087.db2.gz XQGIKDJSBCRDJD-MHEUCROKSA-N 0 3 385.486 -0.977 20 0 GBADHN CCNC(=O)C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1 ZINC000611769133 1072462237 /nfs/dbraw/zinc/46/22/37/1072462237.db2.gz WEIWHJYOXSJJEJ-HNNXBMFYSA-N 0 3 380.489 -0.222 20 0 GBADHN CCNC(=O)C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC000611769134 1072462651 /nfs/dbraw/zinc/46/26/51/1072462651.db2.gz WEIWHJYOXSJJEJ-OAHLLOKOSA-N 0 3 380.489 -0.222 20 0 GBADHN CCCN1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC(OCC)C2)C1 ZINC000611817783 1072544899 /nfs/dbraw/zinc/54/48/99/1072544899.db2.gz BAOSPUVVSBCVFP-VXESANQCSA-N 0 3 396.532 -0.027 20 0 GBADHN CCCN1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC(OCC)C2)C1 ZINC000611817784 1072544880 /nfs/dbraw/zinc/54/48/80/1072544880.db2.gz BAOSPUVVSBCVFP-ZRZPHAQCSA-N 0 3 396.532 -0.027 20 0 GBADHN CCCN1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000611956005 1072603719 /nfs/dbraw/zinc/60/37/19/1072603719.db2.gz MMWLYDVCCPJWPE-INIZCTEOSA-N 0 3 382.505 -0.416 20 0 GBADHN CCCN1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000611956006 1072603789 /nfs/dbraw/zinc/60/37/89/1072603789.db2.gz MMWLYDVCCPJWPE-MRXNPFEDSA-N 0 3 382.505 -0.416 20 0 GBADHN CCN(C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1)[C@H]1CCN(CC)C1 ZINC000611957038 1072604988 /nfs/dbraw/zinc/60/49/88/1072604988.db2.gz VWOZQAPCYJUTEX-KRWDZBQOSA-N 0 3 396.532 -0.073 20 0 GBADHN CCN(C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1)[C@@H]1CCN(CC)C1 ZINC000611957040 1072605104 /nfs/dbraw/zinc/60/51/04/1072605104.db2.gz VWOZQAPCYJUTEX-QGZVFWFLSA-N 0 3 396.532 -0.073 20 0 GBADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCC(=O)N2CCN(C)CC2)CC1 ZINC000611963342 1072610880 /nfs/dbraw/zinc/61/08/80/1072610880.db2.gz ZMIJYVCLQRKDDE-HNNXBMFYSA-N 0 3 382.505 -0.070 20 0 GBADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCC(=O)N2CCN(C)CC2)CC1 ZINC000611963343 1072610779 /nfs/dbraw/zinc/61/07/79/1072610779.db2.gz ZMIJYVCLQRKDDE-OAHLLOKOSA-N 0 3 382.505 -0.070 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612037717 1072657905 /nfs/dbraw/zinc/65/79/05/1072657905.db2.gz QSQUSYZZRSPKEA-CBZIJGRNSA-N 0 3 396.532 -0.030 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612037718 1072658016 /nfs/dbraw/zinc/65/80/16/1072658016.db2.gz QSQUSYZZRSPKEA-CUSZFKRNSA-N 0 3 396.532 -0.030 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612037719 1072657864 /nfs/dbraw/zinc/65/78/64/1072657864.db2.gz QSQUSYZZRSPKEA-LISAXSMJSA-N 0 3 396.532 -0.030 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612037720 1072657577 /nfs/dbraw/zinc/65/75/77/1072657577.db2.gz QSQUSYZZRSPKEA-XLMAVXFVSA-N 0 3 396.532 -0.030 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000612058419 530356990 /nfs/dbraw/zinc/35/69/90/530356990.db2.gz ZGAFMGKBKUZJNY-KFWWJZLASA-N 0 3 376.523 -0.093 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000612058420 530356949 /nfs/dbraw/zinc/35/69/49/530356949.db2.gz ZGAFMGKBKUZJNY-QLFBSQMISA-N 0 3 376.523 -0.093 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000612058422 530356842 /nfs/dbraw/zinc/35/68/42/530356842.db2.gz ZGAFMGKBKUZJNY-RBSFLKMASA-N 0 3 376.523 -0.093 20 0 GBADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000612058424 530357016 /nfs/dbraw/zinc/35/70/16/530357016.db2.gz ZGAFMGKBKUZJNY-ZNMIVQPWSA-N 0 3 376.523 -0.093 20 0 GBADHN O=C(CN1CCC[C@@H](CO)C1)N1CCN(C(=O)CN2CCC[C@@H](CO)C2)CC1 ZINC000612095464 1072660615 /nfs/dbraw/zinc/66/06/15/1072660615.db2.gz UCCKTVXDJAVECI-QZTJIDSGSA-N 0 3 396.532 -0.934 20 0 GBADHN O=C(CN1CCC[C@H](CO)C1)N1CCN(C(=O)CN2CCC[C@H](CO)C2)CC1 ZINC000612095465 1072660918 /nfs/dbraw/zinc/66/09/18/1072660918.db2.gz UCCKTVXDJAVECI-ROUUACIJSA-N 0 3 396.532 -0.934 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000612192338 530359823 /nfs/dbraw/zinc/35/98/23/530359823.db2.gz GFGGHQRDUCYDOI-FPMFFAJLSA-N 0 3 375.491 -0.897 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000612192339 530360089 /nfs/dbraw/zinc/36/00/89/530360089.db2.gz GFGGHQRDUCYDOI-IACUBPJLSA-N 0 3 375.491 -0.897 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000612192340 530360007 /nfs/dbraw/zinc/36/00/07/530360007.db2.gz GFGGHQRDUCYDOI-KWCYVHTRSA-N 0 3 375.491 -0.897 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000612192341 530359849 /nfs/dbraw/zinc/35/98/49/530359849.db2.gz GFGGHQRDUCYDOI-MRVWCRGKSA-N 0 3 375.491 -0.897 20 0 GBADHN CN(CCOCCO)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612220362 1072776448 /nfs/dbraw/zinc/77/64/48/1072776448.db2.gz ATGVQRXXKKPFBT-UHFFFAOYSA-N 0 3 378.473 -0.123 20 0 GBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000612226163 1072778528 /nfs/dbraw/zinc/77/85/28/1072778528.db2.gz IGNQMDQMZGJGNC-INIZCTEOSA-N 0 3 389.456 -0.878 20 0 GBADHN NC(=O)[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000612226164 1072778382 /nfs/dbraw/zinc/77/83/82/1072778382.db2.gz IGNQMDQMZGJGNC-MRXNPFEDSA-N 0 3 389.456 -0.878 20 0 GBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612388006 1072814689 /nfs/dbraw/zinc/81/46/89/1072814689.db2.gz KVBPUBUTASUYIX-AWEZNQCLSA-N 0 3 382.486 -0.083 20 0 GBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612388007 1072814259 /nfs/dbraw/zinc/81/42/59/1072814259.db2.gz KVBPUBUTASUYIX-CQSZACIVSA-N 0 3 382.486 -0.083 20 0 GBADHN CN(C)CCN1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000612403087 530362089 /nfs/dbraw/zinc/36/20/89/530362089.db2.gz WQVUJAWAOPCTEX-HNNXBMFYSA-N 0 3 375.539 -0.264 20 0 GBADHN CN(C)CCN1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000612403088 530361979 /nfs/dbraw/zinc/36/19/79/530361979.db2.gz WQVUJAWAOPCTEX-OAHLLOKOSA-N 0 3 375.539 -0.264 20 0 GBADHN NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000612413794 1072815611 /nfs/dbraw/zinc/81/56/11/1072815611.db2.gz ZMJLJSPDUJUYLT-DLBZAZTESA-N 0 3 396.513 -0.563 20 0 GBADHN NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000612413795 1072815835 /nfs/dbraw/zinc/81/58/35/1072815835.db2.gz ZMJLJSPDUJUYLT-IAGOWNOFSA-N 0 3 396.513 -0.563 20 0 GBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C1(n2cnnn2)CCOCC1 ZINC000612415461 1072816367 /nfs/dbraw/zinc/81/63/67/1072816367.db2.gz YNOLRPXGYZAXGI-QGZVFWFLSA-N 0 3 386.456 -0.286 20 0 GBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@@H](OCCN2CCCC2)C1 ZINC000612431901 1072817239 /nfs/dbraw/zinc/81/72/39/1072817239.db2.gz NSNIWHKGQHACEY-CYBMUJFWSA-N 0 3 398.485 -0.432 20 0 GBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@H](OCCN2CCCC2)C1 ZINC000612431902 1072817254 /nfs/dbraw/zinc/81/72/54/1072817254.db2.gz NSNIWHKGQHACEY-ZDUSSCGKSA-N 0 3 398.485 -0.432 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000612479689 1072824354 /nfs/dbraw/zinc/82/43/54/1072824354.db2.gz DXJRPPUCINVLDU-HNNXBMFYSA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000612479695 1072824026 /nfs/dbraw/zinc/82/40/26/1072824026.db2.gz DXJRPPUCINVLDU-OAHLLOKOSA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000612480095 1072824099 /nfs/dbraw/zinc/82/40/99/1072824099.db2.gz HDLJOFCPJTYBCO-HNNXBMFYSA-N 0 3 388.534 -0.283 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000612480096 1072824146 /nfs/dbraw/zinc/82/41/46/1072824146.db2.gz HDLJOFCPJTYBCO-OAHLLOKOSA-N 0 3 388.534 -0.283 20 0 GBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1=O ZINC000612482511 1072824626 /nfs/dbraw/zinc/82/46/26/1072824626.db2.gz OKKZAGNUJXJRGL-INIZCTEOSA-N 0 3 382.505 -0.070 20 0 GBADHN COCCN1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1=O ZINC000612482512 1072824397 /nfs/dbraw/zinc/82/43/97/1072824397.db2.gz OKKZAGNUJXJRGL-MRXNPFEDSA-N 0 3 382.505 -0.070 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000612484884 1072825890 /nfs/dbraw/zinc/82/58/90/1072825890.db2.gz FAWHVPJSTJPQRY-INIZCTEOSA-N 0 3 381.521 -0.497 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000612484895 1072825646 /nfs/dbraw/zinc/82/56/46/1072825646.db2.gz FAWHVPJSTJPQRY-MRXNPFEDSA-N 0 3 381.521 -0.497 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000612484998 1072824609 /nfs/dbraw/zinc/82/46/09/1072824609.db2.gz FGJJHKNCFIEFLW-KRWDZBQOSA-N 0 3 395.548 -0.155 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000612484999 1072824238 /nfs/dbraw/zinc/82/42/38/1072824238.db2.gz FGJJHKNCFIEFLW-QGZVFWFLSA-N 0 3 395.548 -0.155 20 0 GBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000612485022 1072824434 /nfs/dbraw/zinc/82/44/34/1072824434.db2.gz FWQKDOHUNRPBLX-CABCVRRESA-N 0 3 388.534 -0.237 20 0 GBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000612485023 1072824849 /nfs/dbraw/zinc/82/48/49/1072824849.db2.gz FWQKDOHUNRPBLX-GJZGRUSLSA-N 0 3 388.534 -0.237 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000612485024 1072824456 /nfs/dbraw/zinc/82/44/56/1072824456.db2.gz FWQKDOHUNRPBLX-HUUCEWRRSA-N 0 3 388.534 -0.237 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000612485025 1072824413 /nfs/dbraw/zinc/82/44/13/1072824413.db2.gz FWQKDOHUNRPBLX-LSDHHAIUSA-N 0 3 388.534 -0.237 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000612485290 1072824836 /nfs/dbraw/zinc/82/48/36/1072824836.db2.gz IBOUVTJMGADERK-HNNXBMFYSA-N 0 3 381.521 -0.369 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000612485291 1072824203 /nfs/dbraw/zinc/82/42/03/1072824203.db2.gz IBOUVTJMGADERK-OAHLLOKOSA-N 0 3 381.521 -0.369 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000612485610 1072825967 /nfs/dbraw/zinc/82/59/67/1072825967.db2.gz IYFXKZUBLKSHNF-HNNXBMFYSA-N 0 3 390.488 -0.168 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000612485611 1072825995 /nfs/dbraw/zinc/82/59/95/1072825995.db2.gz IYFXKZUBLKSHNF-OAHLLOKOSA-N 0 3 390.488 -0.168 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000612487224 1072825440 /nfs/dbraw/zinc/82/54/40/1072825440.db2.gz RCJQNMRIRWYKCT-INIZCTEOSA-N 0 3 393.532 -0.354 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000612487226 1072825294 /nfs/dbraw/zinc/82/52/94/1072825294.db2.gz RCJQNMRIRWYKCT-MRXNPFEDSA-N 0 3 393.532 -0.354 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000612487533 1072825902 /nfs/dbraw/zinc/82/59/02/1072825902.db2.gz XYLZMAAZEXQARN-HUUCEWRRSA-N 0 3 388.534 -0.237 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000612487534 1072825563 /nfs/dbraw/zinc/82/55/63/1072825563.db2.gz XYLZMAAZEXQARN-LSDHHAIUSA-N 0 3 388.534 -0.237 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000612487689 1072825832 /nfs/dbraw/zinc/82/58/32/1072825832.db2.gz WXGWWXUPIMVKKF-DLBZAZTESA-N 0 3 384.521 -0.626 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000612487690 1072825208 /nfs/dbraw/zinc/82/52/08/1072825208.db2.gz WXGWWXUPIMVKKF-IAGOWNOFSA-N 0 3 384.521 -0.626 20 0 GBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000612487691 1072825375 /nfs/dbraw/zinc/82/53/75/1072825375.db2.gz WXGWWXUPIMVKKF-IRXDYDNUSA-N 0 3 384.521 -0.626 20 0 GBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000612487692 1072825478 /nfs/dbraw/zinc/82/54/78/1072825478.db2.gz WXGWWXUPIMVKKF-SJORKVTESA-N 0 3 384.521 -0.626 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000612487979 1072825594 /nfs/dbraw/zinc/82/55/94/1072825594.db2.gz ZCPTXWIBFTULSV-CABCVRRESA-N 0 3 388.534 -0.237 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000612487981 1072825945 /nfs/dbraw/zinc/82/59/45/1072825945.db2.gz ZCPTXWIBFTULSV-GJZGRUSLSA-N 0 3 388.534 -0.237 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000612487983 1072825931 /nfs/dbraw/zinc/82/59/31/1072825931.db2.gz ZCPTXWIBFTULSV-HUUCEWRRSA-N 0 3 388.534 -0.237 20 0 GBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000612487985 1072825855 /nfs/dbraw/zinc/82/58/55/1072825855.db2.gz ZCPTXWIBFTULSV-LSDHHAIUSA-N 0 3 388.534 -0.237 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000612488188 1072825766 /nfs/dbraw/zinc/82/57/66/1072825766.db2.gz YGHQFPGQHSYDFQ-KRWDZBQOSA-N 0 3 395.548 -0.108 20 0 GBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000612488189 1072825409 /nfs/dbraw/zinc/82/54/09/1072825409.db2.gz YGHQFPGQHSYDFQ-QGZVFWFLSA-N 0 3 395.548 -0.108 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612522117 1072828922 /nfs/dbraw/zinc/82/89/22/1072828922.db2.gz GZXAXGSPKQRFFR-HNNXBMFYSA-N 0 3 391.476 -0.666 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612522118 1072828956 /nfs/dbraw/zinc/82/89/56/1072828956.db2.gz GZXAXGSPKQRFFR-OAHLLOKOSA-N 0 3 391.476 -0.666 20 0 GBADHN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000612522151 1072828882 /nfs/dbraw/zinc/82/88/82/1072828882.db2.gz HGPHPVRUNDKOCA-CYBMUJFWSA-N 0 3 395.485 -0.433 20 0 GBADHN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000612522152 1072828785 /nfs/dbraw/zinc/82/87/85/1072828785.db2.gz HGPHPVRUNDKOCA-ZDUSSCGKSA-N 0 3 395.485 -0.433 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000612522595 530362259 /nfs/dbraw/zinc/36/22/59/530362259.db2.gz KADWAMIFVHMGQN-LLVKDONJSA-N 0 3 386.499 -0.226 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000612522596 530362153 /nfs/dbraw/zinc/36/21/53/530362153.db2.gz KADWAMIFVHMGQN-NSHDSACASA-N 0 3 386.499 -0.226 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000612523668 1072829380 /nfs/dbraw/zinc/82/93/80/1072829380.db2.gz QQIUFMBDDPCXGG-CYBMUJFWSA-N 0 3 386.460 -0.436 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000612523685 1072828741 /nfs/dbraw/zinc/82/87/41/1072828741.db2.gz QQIUFMBDDPCXGG-ZDUSSCGKSA-N 0 3 386.460 -0.436 20 0 GBADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1cnc2c1ncnc2N ZINC000612524945 1072829108 /nfs/dbraw/zinc/82/91/08/1072829108.db2.gz YXRDPKOHSPCYFS-CHWSQXEVSA-N 0 3 386.460 -0.266 20 0 GBADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)n1cnc2c1ncnc2N ZINC000612524949 1072828688 /nfs/dbraw/zinc/82/86/88/1072828688.db2.gz YXRDPKOHSPCYFS-OLZOCXBDSA-N 0 3 386.460 -0.266 20 0 GBADHN C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1cnc2c1ncnc2N ZINC000612524951 1072828458 /nfs/dbraw/zinc/82/84/58/1072828458.db2.gz YXRDPKOHSPCYFS-QWHCGFSZSA-N 0 3 386.460 -0.266 20 0 GBADHN C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)n1cnc2c1ncnc2N ZINC000612524953 1072829065 /nfs/dbraw/zinc/82/90/65/1072829065.db2.gz YXRDPKOHSPCYFS-STQMWFEESA-N 0 3 386.460 -0.266 20 0 GBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000612544030 1072831844 /nfs/dbraw/zinc/83/18/44/1072831844.db2.gz VIRCNHCGJYQFKH-CABCVRRESA-N 0 3 386.518 -0.387 20 0 GBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000612544032 1072831743 /nfs/dbraw/zinc/83/17/43/1072831743.db2.gz 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CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1 ZINC000612544330 1072831507 /nfs/dbraw/zinc/83/15/07/1072831507.db2.gz ZFDNINKFVCXMIO-CQSZACIVSA-N 0 3 394.476 -0.539 20 0 GBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545559 1072835317 /nfs/dbraw/zinc/83/53/17/1072835317.db2.gz LGXSYSKEIYBFOT-DLBZAZTESA-N 0 3 393.532 -0.258 20 0 GBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545560 1072834570 /nfs/dbraw/zinc/83/45/70/1072834570.db2.gz LGXSYSKEIYBFOT-IAGOWNOFSA-N 0 3 393.532 -0.258 20 0 GBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545561 1072834992 /nfs/dbraw/zinc/83/49/92/1072834992.db2.gz LGXSYSKEIYBFOT-IRXDYDNUSA-N 0 3 393.532 -0.258 20 0 GBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545562 1072835476 /nfs/dbraw/zinc/83/54/76/1072835476.db2.gz LGXSYSKEIYBFOT-SJORKVTESA-N 0 3 393.532 -0.258 20 0 GBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 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1072841500 /nfs/dbraw/zinc/84/15/00/1072841500.db2.gz IHNIKAWAQIVNFD-WFASDCNBSA-N 0 3 379.379 -0.118 20 0 GBADHN CC(C)CN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000612594297 1072841687 /nfs/dbraw/zinc/84/16/87/1072841687.db2.gz JJINKVVRSIMUNI-INIZCTEOSA-N 0 3 380.489 -0.317 20 0 GBADHN CC(C)CN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000612594298 1072841374 /nfs/dbraw/zinc/84/13/74/1072841374.db2.gz JJINKVVRSIMUNI-MRXNPFEDSA-N 0 3 380.489 -0.317 20 0 GBADHN CCCN1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000612594321 1072842255 /nfs/dbraw/zinc/84/22/55/1072842255.db2.gz JUWGLHTUDARXNI-INIZCTEOSA-N 0 3 380.489 -0.173 20 0 GBADHN CCCN1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000612594322 1072841772 /nfs/dbraw/zinc/84/17/72/1072841772.db2.gz JUWGLHTUDARXNI-MRXNPFEDSA-N 0 3 380.489 -0.173 20 0 GBADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594376 1072841901 /nfs/dbraw/zinc/84/19/01/1072841901.db2.gz LGFXTXDVNRNNNK-KRWDZBQOSA-N 0 3 396.532 -0.075 20 0 GBADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594377 1072841640 /nfs/dbraw/zinc/84/16/40/1072841640.db2.gz LGFXTXDVNRNNNK-QGZVFWFLSA-N 0 3 396.532 -0.075 20 0 GBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594686 1072843173 /nfs/dbraw/zinc/84/31/73/1072843173.db2.gz PGGWBVLKTBOSKK-DOTOQJQBSA-N 0 3 396.532 -0.341 20 0 GBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594687 1072843411 /nfs/dbraw/zinc/84/34/11/1072843411.db2.gz PGGWBVLKTBOSKK-NVXWUHKLSA-N 0 3 396.532 -0.341 20 0 GBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594688 1072843615 /nfs/dbraw/zinc/84/36/15/1072843615.db2.gz PGGWBVLKTBOSKK-RDJZCZTQSA-N 0 3 396.532 -0.341 20 0 GBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594689 1072843499 /nfs/dbraw/zinc/84/34/99/1072843499.db2.gz PGGWBVLKTBOSKK-WBVHZDCISA-N 0 3 396.532 -0.341 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2)cn1 ZINC000612594838 1072842882 /nfs/dbraw/zinc/84/28/82/1072842882.db2.gz BUSDGXDPGVKOCU-INIZCTEOSA-N 0 3 390.488 -0.562 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2)cn1 ZINC000612594839 1072842913 /nfs/dbraw/zinc/84/29/13/1072842913.db2.gz BUSDGXDPGVKOCU-MRXNPFEDSA-N 0 3 390.488 -0.562 20 0 GBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594990 1072843361 /nfs/dbraw/zinc/84/33/61/1072843361.db2.gz RYYMOXZTUNIFIB-CVEARBPZSA-N 0 3 380.489 -0.175 20 0 GBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594991 1072843532 /nfs/dbraw/zinc/84/35/32/1072843532.db2.gz RYYMOXZTUNIFIB-HOTGVXAUSA-N 0 3 380.489 -0.175 20 0 GBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594992 1072843644 /nfs/dbraw/zinc/84/36/44/1072843644.db2.gz RYYMOXZTUNIFIB-HZPDHXFCSA-N 0 3 380.489 -0.175 20 0 GBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594993 1072843323 /nfs/dbraw/zinc/84/33/23/1072843323.db2.gz RYYMOXZTUNIFIB-JKSUJKDBSA-N 0 3 380.489 -0.175 20 0 GBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612595378 1072841555 /nfs/dbraw/zinc/84/15/55/1072841555.db2.gz GVJQQKOIRUHHHN-GOSISDBHSA-N 0 3 396.532 -0.075 20 0 GBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612595380 1072841422 /nfs/dbraw/zinc/84/14/22/1072841422.db2.gz GVJQQKOIRUHHHN-SFHVURJKSA-N 0 3 396.532 -0.075 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000612595457 1072841401 /nfs/dbraw/zinc/84/14/01/1072841401.db2.gz XGSUNSGKWJIUCM-GFCCVEGCSA-N 0 3 392.378 -0.454 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000612595463 1072841834 /nfs/dbraw/zinc/84/18/34/1072841834.db2.gz XGSUNSGKWJIUCM-LBPRGKRZSA-N 0 3 392.378 -0.454 20 0 GBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612595604 1072843230 /nfs/dbraw/zinc/84/32/30/1072843230.db2.gz YASZGMRGLCKRBA-JZXOWHBKSA-N 0 3 396.532 -0.077 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000612595760 1072843276 /nfs/dbraw/zinc/84/32/76/1072843276.db2.gz KWRKOADRGVVXRW-BZUAXINKSA-N 0 3 378.473 -0.375 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000612595761 1072843021 /nfs/dbraw/zinc/84/30/21/1072843021.db2.gz KWRKOADRGVVXRW-OAGGEKHMSA-N 0 3 378.473 -0.375 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000612595762 1072842831 /nfs/dbraw/zinc/84/28/31/1072842831.db2.gz KWRKOADRGVVXRW-OWCLPIDISA-N 0 3 378.473 -0.375 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000612595764 1072842773 /nfs/dbraw/zinc/84/27/73/1072842773.db2.gz KWRKOADRGVVXRW-PMPSAXMXSA-N 0 3 378.473 -0.375 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000612596704 1072843307 /nfs/dbraw/zinc/84/33/07/1072843307.db2.gz SBRZFOSFLFUVCD-MSOLQXFVSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000612596705 1072842627 /nfs/dbraw/zinc/84/26/27/1072842627.db2.gz SBRZFOSFLFUVCD-QZTJIDSGSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000612596706 1072842845 /nfs/dbraw/zinc/84/28/45/1072842845.db2.gz SBRZFOSFLFUVCD-ROUUACIJSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000612596708 1072843047 /nfs/dbraw/zinc/84/30/47/1072843047.db2.gz SBRZFOSFLFUVCD-ZWKOTPCHSA-N 0 3 394.516 -0.321 20 0 GBADHN CC(C)(O)CN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612596718 1072842973 /nfs/dbraw/zinc/84/29/73/1072842973.db2.gz SGJCTLKCPCUFJF-INIZCTEOSA-N 0 3 382.505 -0.729 20 0 GBADHN CC(C)(O)CN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612596719 1072842901 /nfs/dbraw/zinc/84/29/01/1072842901.db2.gz SGJCTLKCPCUFJF-MRXNPFEDSA-N 0 3 382.505 -0.729 20 0 GBADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597058 1072842867 /nfs/dbraw/zinc/84/28/67/1072842867.db2.gz AQXNOVCHXMJXHW-CVEARBPZSA-N 0 3 393.488 -0.582 20 0 GBADHN O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597059 1072843078 /nfs/dbraw/zinc/84/30/78/1072843078.db2.gz AQXNOVCHXMJXHW-HOTGVXAUSA-N 0 3 393.488 -0.582 20 0 GBADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597060 1072842741 /nfs/dbraw/zinc/84/27/41/1072842741.db2.gz AQXNOVCHXMJXHW-HZPDHXFCSA-N 0 3 393.488 -0.582 20 0 GBADHN O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597061 1072842794 /nfs/dbraw/zinc/84/27/94/1072842794.db2.gz AQXNOVCHXMJXHW-JKSUJKDBSA-N 0 3 393.488 -0.582 20 0 GBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612598322 1072844815 /nfs/dbraw/zinc/84/48/15/1072844815.db2.gz BUXNLCMSIJUPQH-INIZCTEOSA-N 0 3 380.489 -0.317 20 0 GBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612598323 1072843954 /nfs/dbraw/zinc/84/39/54/1072843954.db2.gz BUXNLCMSIJUPQH-MRXNPFEDSA-N 0 3 380.489 -0.317 20 0 GBADHN CC1(C)COCCN1CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612598593 1072844743 /nfs/dbraw/zinc/84/47/43/1072844743.db2.gz GJAHWBLLCDAMIJ-INIZCTEOSA-N 0 3 382.505 -0.417 20 0 GBADHN CC1(C)COCCN1CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612598595 1072844461 /nfs/dbraw/zinc/84/44/61/1072844461.db2.gz GJAHWBLLCDAMIJ-MRXNPFEDSA-N 0 3 382.505 -0.417 20 0 GBADHN CCOCCN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612599607 1072844533 /nfs/dbraw/zinc/84/45/33/1072844533.db2.gz YXIAWOFIKVYKPG-KRWDZBQOSA-N 0 3 382.505 -0.463 20 0 GBADHN CCOCCN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612599608 1072844694 /nfs/dbraw/zinc/84/46/94/1072844694.db2.gz YXIAWOFIKVYKPG-QGZVFWFLSA-N 0 3 382.505 -0.463 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000612601421 1072844340 /nfs/dbraw/zinc/84/43/40/1072844340.db2.gz QEJTZSZIESERGO-MSOLQXFVSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000612601424 1072844002 /nfs/dbraw/zinc/84/40/02/1072844002.db2.gz QEJTZSZIESERGO-QZTJIDSGSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000612601426 1072844428 /nfs/dbraw/zinc/84/44/28/1072844428.db2.gz QEJTZSZIESERGO-ROUUACIJSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000612601438 1072844236 /nfs/dbraw/zinc/84/42/36/1072844236.db2.gz QEJTZSZIESERGO-ZWKOTPCHSA-N 0 3 394.516 -0.321 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000612601627 1072844439 /nfs/dbraw/zinc/84/44/39/1072844439.db2.gz ROYXBFGXIQUBAT-INIZCTEOSA-N 0 3 388.472 -0.505 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000612601628 1072843980 /nfs/dbraw/zinc/84/39/80/1072843980.db2.gz ROYXBFGXIQUBAT-MRXNPFEDSA-N 0 3 388.472 -0.505 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000612602117 1072844612 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380.489 -0.127 20 0 GBADHN CC1(C)CN(CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000612604819 1072843454 /nfs/dbraw/zinc/84/34/54/1072843454.db2.gz XBKFWNJPZWLXMC-INIZCTEOSA-N 0 3 382.505 -0.417 20 0 GBADHN CC1(C)CN(CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000612604820 1072843110 /nfs/dbraw/zinc/84/31/10/1072843110.db2.gz XBKFWNJPZWLXMC-MRXNPFEDSA-N 0 3 382.505 -0.417 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000612721819 1072861064 /nfs/dbraw/zinc/86/10/64/1072861064.db2.gz FNIBHZJZPWENFF-GOSISDBHSA-N 0 3 375.517 -0.061 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000612721820 1072860919 /nfs/dbraw/zinc/86/09/19/1072860919.db2.gz FNIBHZJZPWENFF-SFHVURJKSA-N 0 3 375.517 -0.061 20 0 GBADHN CCn1nccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000612824849 1072877927 /nfs/dbraw/zinc/87/79/27/1072877927.db2.gz YNRXUCGYKCLJDO-HNNXBMFYSA-N 0 3 376.461 -0.716 20 0 GBADHN CCn1nccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000612824850 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UWDVXHWDXSGPTF-SJORKVTESA-N 0 3 376.505 -0.011 20 0 GBADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000614505946 1072616251 /nfs/dbraw/zinc/61/62/51/1072616251.db2.gz UWDVXHWDXSGPTF-SJORKVTESA-N 0 3 376.505 -0.011 20 0 GBADHN CN1C(=O)CO[C@H](C(=O)N[C@H](CO)CN2CCCCC2)[C@H]1c1cccnc1 ZINC000614661435 1073196887 /nfs/dbraw/zinc/19/68/87/1073196887.db2.gz QFZKTZUEDPUWJG-JQHSSLGASA-N 0 3 376.457 -0.057 20 0 GBADHN CN1C(=O)CO[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@H]1c1cccnc1 ZINC000614661436 1073196937 /nfs/dbraw/zinc/19/69/37/1073196937.db2.gz QFZKTZUEDPUWJG-NXHRZFHOSA-N 0 3 376.457 -0.057 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000614847188 530473370 /nfs/dbraw/zinc/47/33/70/530473370.db2.gz KLFQOPGSXQYIMI-SECBINFHSA-N 0 3 380.264 -0.251 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000614847199 530473416 /nfs/dbraw/zinc/47/34/16/530473416.db2.gz KLFQOPGSXQYIMI-VIFPVBQESA-N 0 3 380.264 -0.251 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000614853496 530473661 /nfs/dbraw/zinc/47/36/61/530473661.db2.gz XMWKRJORZZYSCI-GFCCVEGCSA-N 0 3 391.515 -0.650 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000614853497 530473534 /nfs/dbraw/zinc/47/35/34/530473534.db2.gz XMWKRJORZZYSCI-LBPRGKRZSA-N 0 3 391.515 -0.650 20 0 GBADHN COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN(C)C)cc1OC ZINC000614858169 530474234 /nfs/dbraw/zinc/47/42/34/530474234.db2.gz FYENKWDLMWPHBQ-LLVKDONJSA-N 0 3 375.447 -0.979 20 0 GBADHN COc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN(C)C)cc1OC ZINC000614858170 530474079 /nfs/dbraw/zinc/47/40/79/530474079.db2.gz FYENKWDLMWPHBQ-NSHDSACASA-N 0 3 375.447 -0.979 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000614859605 530474217 /nfs/dbraw/zinc/47/42/17/530474217.db2.gz QWZOJCMDGPYGSG-LLVKDONJSA-N 0 3 394.291 -0.234 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000614859616 530473948 /nfs/dbraw/zinc/47/39/48/530473948.db2.gz QWZOJCMDGPYGSG-NSHDSACASA-N 0 3 394.291 -0.234 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000614861179 530474242 /nfs/dbraw/zinc/47/42/42/530474242.db2.gz XFPSQPDSYUWEND-LLVKDONJSA-N 0 3 394.291 -0.234 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000614861180 530473928 /nfs/dbraw/zinc/47/39/28/530473928.db2.gz XFPSQPDSYUWEND-NSHDSACASA-N 0 3 394.291 -0.234 20 0 GBADHN COCCCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CCN(C)CC1 ZINC000615046138 530482795 /nfs/dbraw/zinc/48/27/95/530482795.db2.gz JCDSCKGDTHEBHA-AWEZNQCLSA-N 0 3 376.523 -0.139 20 0 GBADHN COCCCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CCN(C)CC1 ZINC000615046149 530482683 /nfs/dbraw/zinc/48/26/83/530482683.db2.gz JCDSCKGDTHEBHA-CQSZACIVSA-N 0 3 376.523 -0.139 20 0 GBADHN CC(C)C[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000615230305 530489567 /nfs/dbraw/zinc/48/95/67/530489567.db2.gz HWOOHRGMDAQURU-KBPBESRZSA-N 0 3 376.523 -0.381 20 0 GBADHN CC(C)C[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000615230306 530489830 /nfs/dbraw/zinc/48/98/30/530489830.db2.gz HWOOHRGMDAQURU-KGLIPLIRSA-N 0 3 376.523 -0.381 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN3CC[C@H]2C3)s1 ZINC000615565380 530106124 /nfs/dbraw/zinc/10/61/24/530106124.db2.gz SYCHUSKIVCSIAU-LBPRGKRZSA-N 0 3 386.499 -0.421 20 0 GBADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000616257206 530152370 /nfs/dbraw/zinc/15/23/70/530152370.db2.gz IXGFGZMRCMINNP-AWEZNQCLSA-N 0 3 376.523 -0.773 20 0 GBADHN CCS(=O)(=O)N[C@H](C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000616257207 530152448 /nfs/dbraw/zinc/15/24/48/530152448.db2.gz IXGFGZMRCMINNP-CQSZACIVSA-N 0 3 376.523 -0.773 20 0 GBADHN CCC[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)S(N)(=O)=O ZINC000616257331 530152346 /nfs/dbraw/zinc/15/23/46/530152346.db2.gz LKNGGJUXLFNYGD-AWEZNQCLSA-N 0 3 376.523 -0.644 20 0 GBADHN CCC[C@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)S(N)(=O)=O ZINC000616257332 530152319 /nfs/dbraw/zinc/15/23/19/530152319.db2.gz LKNGGJUXLFNYGD-CQSZACIVSA-N 0 3 376.523 -0.644 20 0 GBADHN NC(=O)Cn1cc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)cn1 ZINC000616375629 1072139888 /nfs/dbraw/zinc/13/98/88/1072139888.db2.gz BVLSAVNNHPEHMN-UHFFFAOYSA-N 0 3 384.440 -0.129 20 0 GBADHN CN(C)S(=O)(=O)NCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000616535423 1072410171 /nfs/dbraw/zinc/41/01/71/1072410171.db2.gz HLBPYVMRBPZTLZ-IAGOWNOFSA-N 0 3 396.513 -0.116 20 0 GBADHN CN(C)S(=O)(=O)NCC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000616535424 1072410573 /nfs/dbraw/zinc/41/05/73/1072410573.db2.gz HLBPYVMRBPZTLZ-IRXDYDNUSA-N 0 3 396.513 -0.116 20 0 GBADHN CN(CCC[NH+](C)C)CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000617768476 530297145 /nfs/dbraw/zinc/29/71/45/530297145.db2.gz FWDPRFHDCDNQIY-UHFFFAOYSA-N 0 3 390.282 -0.289 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000618299810 530111171 /nfs/dbraw/zinc/11/11/71/530111171.db2.gz AWSPNYNQNNZGJX-UHFFFAOYSA-N 0 3 376.523 -0.474 20 0 GBADHN CCS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000618302083 530114173 /nfs/dbraw/zinc/11/41/73/530114173.db2.gz DIEZVQSMXOKYDP-UHFFFAOYSA-N 0 3 376.523 -0.474 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000618302376 530111319 /nfs/dbraw/zinc/11/13/19/530111319.db2.gz NDPYLRPLELBFEP-UHFFFAOYSA-N 0 3 390.531 -0.105 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000618302406 1072589884 /nfs/dbraw/zinc/58/98/84/1072589884.db2.gz OTPSZMJUIXZZCM-UHFFFAOYSA-N 0 3 384.502 -0.255 20 0 GBADHN Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000618302619 1072589920 /nfs/dbraw/zinc/58/99/20/1072589920.db2.gz ZKMVYUPTDPGXNX-UHFFFAOYSA-N 0 3 384.502 -0.248 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618303351 530111233 /nfs/dbraw/zinc/11/12/33/530111233.db2.gz DEXQMCBGAZWOKX-GFCCVEGCSA-N 0 3 390.531 -0.107 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618303352 530111273 /nfs/dbraw/zinc/11/12/73/530111273.db2.gz DEXQMCBGAZWOKX-LBPRGKRZSA-N 0 3 390.531 -0.107 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000618304348 530114032 /nfs/dbraw/zinc/11/40/32/530114032.db2.gz XFYGLZFBQIWRPT-UHFFFAOYSA-N 0 3 376.504 -0.584 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000618304396 530114452 /nfs/dbraw/zinc/11/44/52/530114452.db2.gz ZKKYNNZSYIVKEU-UHFFFAOYSA-N 0 3 376.504 -0.495 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000618304879 530111735 /nfs/dbraw/zinc/11/17/35/530111735.db2.gz BSPNBRKMRNWNKE-UHFFFAOYSA-N 0 3 376.523 -0.329 20 0 GBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000618304976 530111444 /nfs/dbraw/zinc/11/14/44/530111444.db2.gz FKVXCALKKLZFNE-AWEZNQCLSA-N 0 3 376.523 -0.474 20 0 GBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000618304977 530111725 /nfs/dbraw/zinc/11/17/25/530111725.db2.gz FKVXCALKKLZFNE-CQSZACIVSA-N 0 3 376.523 -0.474 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1nc2ncc(Br)cn2n1 ZINC000618305303 530114386 /nfs/dbraw/zinc/11/43/86/530114386.db2.gz OFBHFSJNHVGQJK-UHFFFAOYSA-N 0 3 398.265 -0.021 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000618305439 1072592601 /nfs/dbraw/zinc/59/26/01/1072592601.db2.gz UXPDKCROAWZEPJ-OAHLLOKOSA-N 0 3 375.473 -0.092 20 0 GBADHN Cc1cc(S(N)(=O)=O)sc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618305575 530114182 /nfs/dbraw/zinc/11/41/82/530114182.db2.gz ZRWCLPDJGGVXBO-UHFFFAOYSA-N 0 3 376.504 -0.204 20 0 GBADHN CNS(=O)(=O)c1csc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000618305723 530114071 /nfs/dbraw/zinc/11/40/71/530114071.db2.gz FFTGGVAJFGWLQE-UHFFFAOYSA-N 0 3 376.504 -0.252 20 0 GBADHN COc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)sc1S(N)(=O)=O ZINC000618306892 530111416 /nfs/dbraw/zinc/11/14/16/530111416.db2.gz MYKMPBRTPPHNTH-UHFFFAOYSA-N 0 3 392.503 -0.504 20 0 GBADHN CC(C(=O)N(CCN(C)C)CC(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000618307104 530114679 /nfs/dbraw/zinc/11/46/79/530114679.db2.gz WSTIPDKNEPUJGF-CYBMUJFWSA-N 0 3 377.507 -0.553 20 0 GBADHN CC(C(=O)N(CCN(C)C)CC(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000618307105 530114846 /nfs/dbraw/zinc/11/48/46/530114846.db2.gz WSTIPDKNEPUJGF-ZDUSSCGKSA-N 0 3 377.507 -0.553 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000618308206 1072597106 /nfs/dbraw/zinc/59/71/06/1072597106.db2.gz BCJRAPGWWTUBMO-UHFFFAOYSA-N 0 3 398.529 -0.042 20 0 GBADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618308512 530114990 /nfs/dbraw/zinc/11/49/90/530114990.db2.gz MZMSQWXTSWHYCR-OAHLLOKOSA-N 0 3 376.523 -0.429 20 0 GBADHN CC(C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000618676434 530111510 /nfs/dbraw/zinc/11/15/10/530111510.db2.gz SOLPYRGYACGMPC-NEPJUHHUSA-N 0 3 382.504 -0.539 20 0 GBADHN CC(C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000618676435 530111433 /nfs/dbraw/zinc/11/14/33/530111433.db2.gz SOLPYRGYACGMPC-VXGBXAGGSA-N 0 3 382.504 -0.539 20 0 GBADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000620913189 530116299 /nfs/dbraw/zinc/11/62/99/530116299.db2.gz XVDJMFMZGGTLLR-AWEZNQCLSA-N 0 3 376.523 -0.174 20 0 GBADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000620913190 530115999 /nfs/dbraw/zinc/11/59/99/530115999.db2.gz XVDJMFMZGGTLLR-CQSZACIVSA-N 0 3 376.523 -0.174 20 0 GBADHN CN(C)CCNC(=O)C1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 ZINC000620995140 530116330 /nfs/dbraw/zinc/11/63/30/530116330.db2.gz JCPSYNAWGIEVMY-UHFFFAOYSA-N 0 3 376.523 -0.379 20 0 GBADHN CNS(=O)(=O)CCN(C)[C@H]1CCCC[C@@H]1N(C)CCS(=O)(=O)NC ZINC000621274618 530117040 /nfs/dbraw/zinc/11/70/40/530117040.db2.gz SRJBSSFNYXTVSA-KBPBESRZSA-N 0 3 384.568 -0.740 20 0 GBADHN CNS(=O)(=O)CCN(C)[C@@H]1CCCC[C@@H]1N(C)CCS(=O)(=O)NC ZINC000621274619 530117135 /nfs/dbraw/zinc/11/71/35/530117135.db2.gz SRJBSSFNYXTVSA-OKILXGFUSA-N 0 3 384.568 -0.740 20 0 GBADHN CNS(=O)(=O)CCN(C)[C@@H]1CCCC[C@H]1N(C)CCS(=O)(=O)NC ZINC000621274620 530117065 /nfs/dbraw/zinc/11/70/65/530117065.db2.gz SRJBSSFNYXTVSA-ZIAGYGMSSA-N 0 3 384.568 -0.740 20 0 GBADHN CNS(=O)(=O)CCN1CCCC2(CCCN(CCS(=O)(=O)NC)C2)C1 ZINC000621296310 530116936 /nfs/dbraw/zinc/11/69/36/530116936.db2.gz OKJSQMSDQMGMBD-UHFFFAOYSA-N 0 3 396.579 -0.737 20 0 GBADHN CO[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1cn[nH]n1 ZINC000621318950 1072440193 /nfs/dbraw/zinc/44/01/93/1072440193.db2.gz JKTABDKOYQTOSG-RIEGTJTDSA-N 0 3 394.457 -0.107 20 0 GBADHN CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1cn[nH]n1 ZINC000621318951 1072440660 /nfs/dbraw/zinc/44/06/60/1072440660.db2.gz JKTABDKOYQTOSG-VZJVUDMVSA-N 0 3 394.457 -0.107 20 0 GBADHN CC(C)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000621517482 530120607 /nfs/dbraw/zinc/12/06/07/530120607.db2.gz XXFNMXBBZJHOMP-QLFBSQMISA-N 0 3 376.523 -0.142 20 0 GBADHN NC(=O)c1cc(F)ccc1N1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000621677111 1072518445 /nfs/dbraw/zinc/51/84/45/1072518445.db2.gz RXTDDGDWMWOBOC-HNNXBMFYSA-N 0 3 391.447 -0.087 20 0 GBADHN NC(=O)c1cc(F)ccc1N1CCN(C(=O)CN2CCCC[C@@H](N)C2=O)CC1 ZINC000621677112 1072518123 /nfs/dbraw/zinc/51/81/23/1072518123.db2.gz RXTDDGDWMWOBOC-OAHLLOKOSA-N 0 3 391.447 -0.087 20 0 GBADHN CCOCCS(=O)(=O)NCC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000622132404 530129066 /nfs/dbraw/zinc/12/90/66/530129066.db2.gz IBSYOMFDPABNOB-UHFFFAOYSA-N 0 3 378.539 -0.525 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCN(C)CCC[NH+](C)C ZINC000622144683 530129028 /nfs/dbraw/zinc/12/90/28/530129028.db2.gz VALVFXYPTPVLKA-UHFFFAOYSA-N 0 3 375.495 -0.431 20 0 GBADHN CCS(=O)(=O)N1CCN(C(=O)NC2CCN(CCN(C)C)CC2)CC1 ZINC000623025051 530137311 /nfs/dbraw/zinc/13/73/11/530137311.db2.gz PIUYSVAEXFCJHL-UHFFFAOYSA-N 0 3 375.539 -0.311 20 0 GBADHN COCCCN1CCC(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000623632263 530490541 /nfs/dbraw/zinc/49/05/41/530490541.db2.gz RWMGDIKKBUYDPD-UHFFFAOYSA-N 0 3 377.511 -0.723 20 0 GBADHN CC(C)CN(CCN(C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623769742 530130977 /nfs/dbraw/zinc/13/09/77/530130977.db2.gz KGPXYCQKBINFHR-UHFFFAOYSA-N 0 3 377.555 -0.207 20 0 GBADHN Nc1nc(N)nc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 ZINC000623798785 530466027 /nfs/dbraw/zinc/46/60/27/530466027.db2.gz DSQRYZPLHIUUSX-UHFFFAOYSA-N 0 3 375.867 -0.077 20 0 GBADHN COc1nc(N2CCN(c3nc(N)nc(N)n3)CC2)ncc1Br ZINC000624025279 530133162 /nfs/dbraw/zinc/13/31/62/530133162.db2.gz UXPCSDOEZIWBTD-UHFFFAOYSA-N 0 3 382.226 -0.416 20 0 GBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000624382459 530088410 /nfs/dbraw/zinc/08/84/10/530088410.db2.gz CKTRNTVYHWXOQW-AWEZNQCLSA-N 0 3 375.495 -0.971 20 0 GBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000624382460 530088236 /nfs/dbraw/zinc/08/82/36/530088236.db2.gz CKTRNTVYHWXOQW-CQSZACIVSA-N 0 3 375.495 -0.971 20 0 GBADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1F ZINC000624387026 530088267 /nfs/dbraw/zinc/08/82/67/530088267.db2.gz CHAZHRYXURENRG-UHFFFAOYSA-N 0 3 381.451 -0.017 20 0 GBADHN 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393.532 -0.258 20 0 GBADHN CCC(O)(CC)CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000625570090 1072614633 /nfs/dbraw/zinc/61/46/33/1072614633.db2.gz IHIRYPLWWYFEEH-HNNXBMFYSA-N 0 3 382.505 -0.239 20 0 GBADHN CCC(O)(CC)CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000625570093 1072614007 /nfs/dbraw/zinc/61/40/07/1072614007.db2.gz IHIRYPLWWYFEEH-OAHLLOKOSA-N 0 3 382.505 -0.239 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)CC1 ZINC000625570520 1072614330 /nfs/dbraw/zinc/61/43/30/1072614330.db2.gz KKIDYFPEHDJGBY-GJZGRUSLSA-N 0 3 384.452 -0.662 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000625570583 1072614141 /nfs/dbraw/zinc/61/41/41/1072614141.db2.gz LHVPHQBBTPHMTI-TWOQFEAHSA-N 0 3 392.500 -0.628 20 0 GBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)cc1 ZINC000625586944 530092859 /nfs/dbraw/zinc/09/28/59/530092859.db2.gz QSGXKGQYXGYCJP-UHFFFAOYSA-N 0 3 376.504 -0.306 20 0 GBADHN 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ZINC000636676252 1073545148 /nfs/dbraw/zinc/54/51/48/1073545148.db2.gz YQAOUEGTAAPLJC-RZQQEMMASA-N 0 3 394.516 -0.334 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000636676254 1073544872 /nfs/dbraw/zinc/54/48/72/1073544872.db2.gz YQAOUEGTAAPLJC-TWOQFEAHSA-N 0 3 394.516 -0.334 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000636690268 1073550957 /nfs/dbraw/zinc/55/09/57/1073550957.db2.gz MYGVBEVUPMMFOQ-KRWDZBQOSA-N 0 3 393.532 -0.212 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000636690269 1073550810 /nfs/dbraw/zinc/55/08/10/1073550810.db2.gz MYGVBEVUPMMFOQ-QGZVFWFLSA-N 0 3 393.532 -0.212 20 0 GBADHN CO[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@](C)(CO)C1 ZINC000636696210 1073552107 /nfs/dbraw/zinc/55/21/07/1073552107.db2.gz CTNNYVKFOZWPMQ-BEFAXECRSA-N 0 3 385.505 -0.010 20 0 GBADHN CO[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@@](C)(CO)C1 ZINC000636696211 1073551594 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1073584793 /nfs/dbraw/zinc/58/47/93/1073584793.db2.gz BXEYUFPGTXSXRU-DLBZAZTESA-N 0 3 396.532 -0.075 20 0 GBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000636876319 1073585661 /nfs/dbraw/zinc/58/56/61/1073585661.db2.gz BXEYUFPGTXSXRU-IAGOWNOFSA-N 0 3 396.532 -0.075 20 0 GBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000636876320 1073585539 /nfs/dbraw/zinc/58/55/39/1073585539.db2.gz BXEYUFPGTXSXRU-IRXDYDNUSA-N 0 3 396.532 -0.075 20 0 GBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000636876321 1073585762 /nfs/dbraw/zinc/58/57/62/1073585762.db2.gz BXEYUFPGTXSXRU-SJORKVTESA-N 0 3 396.532 -0.075 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636893097 1073586600 /nfs/dbraw/zinc/58/66/00/1073586600.db2.gz SEYQHZJWJYPUDQ-HUUCEWRRSA-N 0 3 386.518 -0.340 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636893098 1073586215 /nfs/dbraw/zinc/58/62/15/1073586215.db2.gz 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/nfs/dbraw/zinc/20/87/50/530208750.db2.gz JTBGMRWAVMUZCN-CHWSQXEVSA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000645175854 530209079 /nfs/dbraw/zinc/20/90/79/530209079.db2.gz JTBGMRWAVMUZCN-OLZOCXBDSA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000645175855 530208980 /nfs/dbraw/zinc/20/89/80/530208980.db2.gz JTBGMRWAVMUZCN-QWHCGFSZSA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000645175856 530208931 /nfs/dbraw/zinc/20/89/31/530208931.db2.gz JTBGMRWAVMUZCN-STQMWFEESA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCN1CCCS1(=O)=O ZINC000645195431 530209218 /nfs/dbraw/zinc/20/92/18/530209218.db2.gz MYHREEMBGHVJNF-CYBMUJFWSA-N 0 3 375.495 -0.827 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCN1CCCS1(=O)=O ZINC000645195432 530209538 /nfs/dbraw/zinc/20/95/38/530209538.db2.gz MYHREEMBGHVJNF-ZDUSSCGKSA-N 0 3 375.495 -0.827 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000645207210 530209852 /nfs/dbraw/zinc/20/98/52/530209852.db2.gz GDZLDLNQWNZVOP-GFCCVEGCSA-N 0 3 377.511 -0.534 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000645207212 530209608 /nfs/dbraw/zinc/20/96/08/530209608.db2.gz GDZLDLNQWNZVOP-LBPRGKRZSA-N 0 3 377.511 -0.534 20 0 GBADHN CCCN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CCN(C)C1 ZINC000645232597 530210122 /nfs/dbraw/zinc/21/01/22/530210122.db2.gz HRDQKHYEPOSTHI-HNNXBMFYSA-N 0 3 375.539 -0.311 20 0 GBADHN CCCN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCN(C)C1 ZINC000645232598 530209976 /nfs/dbraw/zinc/20/99/76/530209976.db2.gz HRDQKHYEPOSTHI-OAHLLOKOSA-N 0 3 375.539 -0.311 20 0 GBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000645254527 1073975164 /nfs/dbraw/zinc/97/51/64/1073975164.db2.gz JHQVJHSSQBGMEB-XHSDSOJGSA-N 0 3 388.468 -0.122 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000645290798 530250507 /nfs/dbraw/zinc/25/05/07/530250507.db2.gz PJLORPPFPNCOFY-CHWSQXEVSA-N 0 3 375.495 -0.971 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000645290801 530250288 /nfs/dbraw/zinc/25/02/88/530250288.db2.gz PJLORPPFPNCOFY-OLZOCXBDSA-N 0 3 375.495 -0.971 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000645290807 530250485 /nfs/dbraw/zinc/25/04/85/530250485.db2.gz PJLORPPFPNCOFY-QWHCGFSZSA-N 0 3 375.495 -0.971 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000645290809 530250243 /nfs/dbraw/zinc/25/02/43/530250243.db2.gz PJLORPPFPNCOFY-STQMWFEESA-N 0 3 375.495 -0.971 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000645290814 530250216 /nfs/dbraw/zinc/25/02/16/530250216.db2.gz PQXSZTBPWSCQKQ-CHWSQXEVSA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000645290816 530250597 /nfs/dbraw/zinc/25/05/97/530250597.db2.gz PQXSZTBPWSCQKQ-QWHCGFSZSA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000645391235 1073172322 /nfs/dbraw/zinc/17/23/22/1073172322.db2.gz OYKKNTYSQVHBBH-KBPBESRZSA-N 0 3 389.522 -0.438 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645473931 530285225 /nfs/dbraw/zinc/28/52/25/530285225.db2.gz CXXPNDBBRWEHPO-UHFFFAOYSA-N 0 3 377.511 -0.675 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000645609134 1073858281 /nfs/dbraw/zinc/85/82/81/1073858281.db2.gz AGOFBMAKRCLMAU-INIZCTEOSA-N 0 3 392.485 -0.105 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000645609135 1073858518 /nfs/dbraw/zinc/85/85/18/1073858518.db2.gz AGOFBMAKRCLMAU-MRXNPFEDSA-N 0 3 392.485 -0.105 20 0 GBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H]3CN(C)C[C@@H]31)CC2 ZINC000645617358 1073858777 /nfs/dbraw/zinc/85/87/77/1073858777.db2.gz GBQLVMOTWHOQKO-CJNGLKHVSA-N 0 3 392.481 -0.354 20 0 GBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000645617747 1073858620 /nfs/dbraw/zinc/85/86/20/1073858620.db2.gz CWUQSJJODSLRPQ-UKRRQHHQSA-N 0 3 387.440 -0.737 20 0 GBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1F ZINC000645619326 1073858410 /nfs/dbraw/zinc/85/84/10/1073858410.db2.gz NMVSKORSBJBSLY-GWCFXTLKSA-N 0 3 384.433 -0.165 20 0 GBADHN CCc1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1S(N)(=O)=O ZINC000645626274 1073859609 /nfs/dbraw/zinc/85/96/09/1073859609.db2.gz QFEKUIGMSOAQMK-JSGCOSHPSA-N 0 3 380.470 -0.003 20 0 GBADHN CCO[C@H]1C[C@](N)(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699300 530331380 /nfs/dbraw/zinc/33/13/80/530331380.db2.gz XJGHJQATAHHNHQ-BBRMVZONSA-N 0 3 376.523 -0.788 20 0 GBADHN CCO[C@@H]1C[C@](N)(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699302 530331600 /nfs/dbraw/zinc/33/16/00/530331600.db2.gz XJGHJQATAHHNHQ-CJNGLKHVSA-N 0 3 376.523 -0.788 20 0 GBADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699306 530331414 /nfs/dbraw/zinc/33/14/14/530331414.db2.gz XJGHJQATAHHNHQ-CZUORRHYSA-N 0 3 376.523 -0.788 20 0 GBADHN CCO[C@H]1C[C@@](N)(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699307 530331317 /nfs/dbraw/zinc/33/13/17/530331317.db2.gz XJGHJQATAHHNHQ-XJKSGUPXSA-N 0 3 376.523 -0.788 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000645834455 530387430 /nfs/dbraw/zinc/38/74/30/530387430.db2.gz NZJPKJMLQJYGKS-GFCCVEGCSA-N 0 3 389.499 -0.169 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000645834456 530387210 /nfs/dbraw/zinc/38/72/10/530387210.db2.gz NZJPKJMLQJYGKS-LBPRGKRZSA-N 0 3 389.499 -0.169 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000645834552 530387377 /nfs/dbraw/zinc/38/73/77/530387377.db2.gz RZAGFHYLGDCSHM-LLVKDONJSA-N 0 3 390.487 -0.926 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000645834553 530387446 /nfs/dbraw/zinc/38/74/46/530387446.db2.gz RZAGFHYLGDCSHM-NSHDSACASA-N 0 3 390.487 -0.926 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000645834564 530387424 /nfs/dbraw/zinc/38/74/24/530387424.db2.gz SIGDZINUTKKCAT-LLVKDONJSA-N 0 3 390.487 -0.926 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000645834565 530387407 /nfs/dbraw/zinc/38/74/07/530387407.db2.gz SIGDZINUTKKCAT-NSHDSACASA-N 0 3 390.487 -0.926 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000645834637 530387238 /nfs/dbraw/zinc/38/72/38/530387238.db2.gz VZIOSQYREMJEEM-GFCCVEGCSA-N 0 3 389.499 -0.169 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000645834638 530387333 /nfs/dbraw/zinc/38/73/33/530387333.db2.gz VZIOSQYREMJEEM-LBPRGKRZSA-N 0 3 389.499 -0.169 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000645834947 530387279 /nfs/dbraw/zinc/38/72/79/530387279.db2.gz AYGVVUPWIIDCMF-LLVKDONJSA-N 0 3 390.487 -0.774 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000645834948 530387404 /nfs/dbraw/zinc/38/74/04/530387404.db2.gz AYGVVUPWIIDCMF-NSHDSACASA-N 0 3 390.487 -0.774 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000645835229 530387217 /nfs/dbraw/zinc/38/72/17/530387217.db2.gz LNXPIDXLSSZNSW-GFCCVEGCSA-N 0 3 381.520 -0.807 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000645835230 530387441 /nfs/dbraw/zinc/38/74/41/530387441.db2.gz LNXPIDXLSSZNSW-LBPRGKRZSA-N 0 3 381.520 -0.807 20 0 GBADHN CC(=O)Nc1ncc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC000645835740 530387800 /nfs/dbraw/zinc/38/78/00/530387800.db2.gz XVWDOBSEGMZAAI-SECBINFHSA-N 0 3 375.476 -0.158 20 0 GBADHN CC(=O)Nc1ncc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC000645835743 530387789 /nfs/dbraw/zinc/38/77/89/530387789.db2.gz XVWDOBSEGMZAAI-VIFPVBQESA-N 0 3 375.476 -0.158 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000645836101 530387773 /nfs/dbraw/zinc/38/77/73/530387773.db2.gz FYIVHSASRBOGJL-GFCCVEGCSA-N 0 3 383.536 -0.419 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000645836102 530387832 /nfs/dbraw/zinc/38/78/32/530387832.db2.gz FYIVHSASRBOGJL-LBPRGKRZSA-N 0 3 383.536 -0.419 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000645836277 530387858 /nfs/dbraw/zinc/38/78/58/530387858.db2.gz LRQMVKCHHBNJNU-CHWSQXEVSA-N 0 3 381.520 -0.807 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000645836278 530387562 /nfs/dbraw/zinc/38/75/62/530387562.db2.gz LRQMVKCHHBNJNU-OLZOCXBDSA-N 0 3 381.520 -0.807 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000645836279 530387776 /nfs/dbraw/zinc/38/77/76/530387776.db2.gz LRQMVKCHHBNJNU-QWHCGFSZSA-N 0 3 381.520 -0.807 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000645836280 530387798 /nfs/dbraw/zinc/38/77/98/530387798.db2.gz LRQMVKCHHBNJNU-STQMWFEESA-N 0 3 381.520 -0.807 20 0 GBADHN CO[C@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1CCOCC1 ZINC000645836692 530387674 /nfs/dbraw/zinc/38/76/74/530387674.db2.gz YUYZUXLTAKDGAG-DZGCQCFKSA-N 0 3 377.507 -0.190 20 0 GBADHN CO[C@@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1CCOCC1 ZINC000645836693 530387619 /nfs/dbraw/zinc/38/76/19/530387619.db2.gz YUYZUXLTAKDGAG-HIFRSBDPSA-N 0 3 377.507 -0.190 20 0 GBADHN CO[C@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1CCOCC1 ZINC000645836694 530387670 /nfs/dbraw/zinc/38/76/70/530387670.db2.gz YUYZUXLTAKDGAG-UKRRQHHQSA-N 0 3 377.507 -0.190 20 0 GBADHN CO[C@@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1CCOCC1 ZINC000645836695 530387811 /nfs/dbraw/zinc/38/78/11/530387811.db2.gz YUYZUXLTAKDGAG-ZFWWWQNUSA-N 0 3 377.507 -0.190 20 0 GBADHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000645855463 530392389 /nfs/dbraw/zinc/39/23/89/530392389.db2.gz CVUJILXBYSEGTL-UHFFFAOYSA-N 0 3 389.499 -0.181 20 0 GBADHN CN1CCC2(CC1)CN(S(=O)(=O)c1cccc(S(N)(=O)=O)c1)CCO2 ZINC000645855482 530392785 /nfs/dbraw/zinc/39/27/85/530392785.db2.gz DQHGRIKEGPOIRX-UHFFFAOYSA-N 0 3 389.499 -0.181 20 0 GBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645856458 530393401 /nfs/dbraw/zinc/39/34/01/530393401.db2.gz FHLCMWDQAJEGGV-UHFFFAOYSA-N 0 3 383.536 -0.606 20 0 GBADHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CCO2 ZINC000645856542 530393286 /nfs/dbraw/zinc/39/32/86/530393286.db2.gz JCIDIEXGXOAHDV-UHFFFAOYSA-N 0 3 389.499 -0.030 20 0 GBADHN COCCOCCOCCS(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645856589 530393373 /nfs/dbraw/zinc/39/33/73/530393373.db2.gz LOBQCGBQJZEPNV-UHFFFAOYSA-N 0 3 380.507 -0.208 20 0 GBADHN CC(C)C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000646416617 530445820 /nfs/dbraw/zinc/44/58/20/530445820.db2.gz BUGDRRHWAUMGEI-KBPBESRZSA-N 0 3 376.523 -0.429 20 0 GBADHN CC(C)C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000646416618 530445664 /nfs/dbraw/zinc/44/56/64/530445664.db2.gz BUGDRRHWAUMGEI-KGLIPLIRSA-N 0 3 376.523 -0.429 20 0 GBADHN CC(C)C[C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000646416969 530445725 /nfs/dbraw/zinc/44/57/25/530445725.db2.gz QFPIGSZAKFRTIM-KBPBESRZSA-N 0 3 376.523 -0.429 20 0 GBADHN CC(C)C[C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000646416970 530445878 /nfs/dbraw/zinc/44/58/78/530445878.db2.gz QFPIGSZAKFRTIM-KGLIPLIRSA-N 0 3 376.523 -0.429 20 0 GBADHN CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@H](CN)C1 ZINC000646833800 530462324 /nfs/dbraw/zinc/46/23/24/530462324.db2.gz ZNEFZOHKZYAUCM-GFCCVEGCSA-N 0 3 387.531 -0.533 20 0 GBADHN CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@@H](CN)C1 ZINC000646833801 530462146 /nfs/dbraw/zinc/46/21/46/530462146.db2.gz ZNEFZOHKZYAUCM-LBPRGKRZSA-N 0 3 387.531 -0.533 20 0 GBADHN CC(C)OCCN1CCC(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646893119 530074992 /nfs/dbraw/zinc/07/49/92/530074992.db2.gz JGNIDFMFOCRABY-AWEZNQCLSA-N 0 3 376.523 -0.093 20 0 GBADHN CC(C)OCCN1CCC(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646893120 530074863 /nfs/dbraw/zinc/07/48/63/530074863.db2.gz JGNIDFMFOCRABY-CQSZACIVSA-N 0 3 376.523 -0.093 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646901172 530077666 /nfs/dbraw/zinc/07/76/66/530077666.db2.gz XEEGBVQMGXYIHX-CABCVRRESA-N 0 3 375.539 -0.708 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646901173 530077378 /nfs/dbraw/zinc/07/73/78/530077378.db2.gz XEEGBVQMGXYIHX-GJZGRUSLSA-N 0 3 375.539 -0.708 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646901174 530077414 /nfs/dbraw/zinc/07/74/14/530077414.db2.gz XEEGBVQMGXYIHX-HUUCEWRRSA-N 0 3 375.539 -0.708 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646901175 530077606 /nfs/dbraw/zinc/07/76/06/530077606.db2.gz XEEGBVQMGXYIHX-LSDHHAIUSA-N 0 3 375.539 -0.708 20 0 GBADHN CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000646972661 1072311542 /nfs/dbraw/zinc/31/15/42/1072311542.db2.gz MVSPDGREWMRJTE-UHFFFAOYSA-N 0 3 388.534 -0.139 20 0 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ZINC000652466918 1073522320 /nfs/dbraw/zinc/52/23/20/1073522320.db2.gz CRKPSGWDLQDUPF-UHFFFAOYSA-N 0 3 381.502 -0.234 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)CC1=O ZINC000652468339 1073522369 /nfs/dbraw/zinc/52/23/69/1073522369.db2.gz DRIYFDGFTURJCX-HNNXBMFYSA-N 0 3 394.497 -0.120 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)CC1=O ZINC000652468340 1073522978 /nfs/dbraw/zinc/52/29/78/1073522978.db2.gz DRIYFDGFTURJCX-OAHLLOKOSA-N 0 3 394.497 -0.120 20 0 GBADHN Cc1cnc(CCN(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)s1 ZINC000652468442 1073523100 /nfs/dbraw/zinc/52/31/00/1073523100.db2.gz HFIKTXHPDHSDQH-UHFFFAOYSA-N 0 3 381.502 -0.315 20 0 GBADHN CCc1cnc(CN(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)s1 ZINC000652468578 1073522790 /nfs/dbraw/zinc/52/27/90/1073522790.db2.gz LBAWITLKVQBECI-UHFFFAOYSA-N 0 3 381.502 -0.104 20 0 GBADHN CC(C)c1ncc(CN(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cn1 ZINC000652469536 1073522458 /nfs/dbraw/zinc/52/24/58/1073522458.db2.gz ZXSWVQVRXXQEAA-UHFFFAOYSA-N 0 3 390.488 -0.209 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(C3(O)CC3)CC2)CC1 ZINC000652471759 1073523608 /nfs/dbraw/zinc/52/36/08/1073523608.db2.gz FJLVSFKCSIDJDK-INIZCTEOSA-N 0 3 392.500 -0.485 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(C3(O)CC3)CC2)CC1 ZINC000652471760 1073523465 /nfs/dbraw/zinc/52/34/65/1073523465.db2.gz FJLVSFKCSIDJDK-MRXNPFEDSA-N 0 3 392.500 -0.485 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@H](c3ccco3)C2)CC1=O ZINC000652472937 1073523643 /nfs/dbraw/zinc/52/36/43/1073523643.db2.gz KJDKDRPWZMPOFI-HNNXBMFYSA-N 0 3 378.429 -0.588 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)CC1=O ZINC000652472938 1073523402 /nfs/dbraw/zinc/52/34/02/1073523402.db2.gz KJDKDRPWZMPOFI-OAHLLOKOSA-N 0 3 378.429 -0.588 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1=O ZINC000652473447 1073523726 /nfs/dbraw/zinc/52/37/26/1073523726.db2.gz MFJZZXYDKWCLDU-HNNXBMFYSA-N 0 3 390.488 -0.512 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1=O ZINC000652473448 1073523821 /nfs/dbraw/zinc/52/38/21/1073523821.db2.gz MFJZZXYDKWCLDU-OAHLLOKOSA-N 0 3 390.488 -0.512 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1=O ZINC000652474630 1073522952 /nfs/dbraw/zinc/52/29/52/1073522952.db2.gz VTLYUGLGKJPCTI-HNNXBMFYSA-N 0 3 390.488 -0.957 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CC1=O ZINC000652474631 1073522864 /nfs/dbraw/zinc/52/28/64/1073522864.db2.gz VTLYUGLGKJPCTI-OAHLLOKOSA-N 0 3 390.488 -0.957 20 0 GBADHN COCCN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CC[C@@H](C)C1 ZINC000652475909 1073524540 /nfs/dbraw/zinc/52/45/40/1073524540.db2.gz LKNSQCIDUAAAPT-CVEARBPZSA-N 0 3 382.505 -0.118 20 0 GBADHN COCCN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CC[C@H](C)C1 ZINC000652475910 1073524482 /nfs/dbraw/zinc/52/44/82/1073524482.db2.gz LKNSQCIDUAAAPT-HOTGVXAUSA-N 0 3 382.505 -0.118 20 0 GBADHN COCCN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CC[C@@H](C)C1 ZINC000652475911 1073524355 /nfs/dbraw/zinc/52/43/55/1073524355.db2.gz LKNSQCIDUAAAPT-HZPDHXFCSA-N 0 3 382.505 -0.118 20 0 GBADHN COCCN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CC[C@H](C)C1 ZINC000652475912 1073524782 /nfs/dbraw/zinc/52/47/82/1073524782.db2.gz LKNSQCIDUAAAPT-JKSUJKDBSA-N 0 3 382.505 -0.118 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CCOCCOC)CC1 ZINC000652476577 1073524340 /nfs/dbraw/zinc/52/43/40/1073524340.db2.gz FFRNKGYPRQIOMY-MSOLQXFVSA-N 0 3 396.532 -0.121 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1=O ZINC000652476771 1073524753 /nfs/dbraw/zinc/52/47/53/1073524753.db2.gz DWIMYXDFAXRHQH-IBGZPJMESA-N 0 3 396.488 -0.985 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1=O ZINC000652476772 1073524293 /nfs/dbraw/zinc/52/42/93/1073524293.db2.gz DWIMYXDFAXRHQH-LJQANCHMSA-N 0 3 396.488 -0.985 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@]2(CCCOC2)O1 ZINC000652476801 1073524370 /nfs/dbraw/zinc/52/43/70/1073524370.db2.gz GAHUVAXQJQXXPM-BEFAXECRSA-N 0 3 396.488 -0.985 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@@]2(CCCOC2)O1 ZINC000652476802 1073524951 /nfs/dbraw/zinc/52/49/51/1073524951.db2.gz GAHUVAXQJQXXPM-DNVCBOLYSA-N 0 3 396.488 -0.985 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@@]2(CCCOC2)O1 ZINC000652476803 1073524896 /nfs/dbraw/zinc/52/48/96/1073524896.db2.gz GAHUVAXQJQXXPM-HNAYVOBHSA-N 0 3 396.488 -0.985 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@]2(CCCOC2)O1 ZINC000652476804 1073524729 /nfs/dbraw/zinc/52/47/29/1073524729.db2.gz GAHUVAXQJQXXPM-KXBFYZLASA-N 0 3 396.488 -0.985 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@]2(CCOC2)O1 ZINC000652476862 1073524397 /nfs/dbraw/zinc/52/43/97/1073524397.db2.gz JKHCLPIVNBTXPF-BEFAXECRSA-N 0 3 396.488 -0.985 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@@]2(CCOC2)O1 ZINC000652476863 1073524382 /nfs/dbraw/zinc/52/43/82/1073524382.db2.gz JKHCLPIVNBTXPF-DNVCBOLYSA-N 0 3 396.488 -0.985 20 0 GBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@@]2(CCOC2)O1 ZINC000652476864 1073524521 /nfs/dbraw/zinc/52/45/21/1073524521.db2.gz JKHCLPIVNBTXPF-HNAYVOBHSA-N 0 3 396.488 -0.985 20 0 GBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@]2(CCOC2)O1 ZINC000652476865 1073524611 /nfs/dbraw/zinc/52/46/11/1073524611.db2.gz JKHCLPIVNBTXPF-KXBFYZLASA-N 0 3 396.488 -0.985 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cn2C)CC1=O ZINC000652477932 1073525997 /nfs/dbraw/zinc/52/59/97/1073525997.db2.gz WKKNXTWUDIBPET-UHFFFAOYSA-N 0 3 383.880 -0.131 20 0 GBADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652478766 1073525836 /nfs/dbraw/zinc/52/58/36/1073525836.db2.gz WYSMBMSHWCPINO-INIZCTEOSA-N 0 3 390.488 -0.376 20 0 GBADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652478767 1073525731 /nfs/dbraw/zinc/52/57/31/1073525731.db2.gz WYSMBMSHWCPINO-MRXNPFEDSA-N 0 3 390.488 -0.376 20 0 GBADHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652479471 1073524880 /nfs/dbraw/zinc/52/48/80/1073524880.db2.gz RONSDNCOMZBWJL-HNNXBMFYSA-N 0 3 390.488 -0.078 20 0 GBADHN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652479472 1073524312 /nfs/dbraw/zinc/52/43/12/1073524312.db2.gz RONSDNCOMZBWJL-OAHLLOKOSA-N 0 3 390.488 -0.078 20 0 GBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C[C@@H](C)O2 ZINC000652483347 1073525867 /nfs/dbraw/zinc/52/58/67/1073525867.db2.gz SSJGDBSJPDLOOE-SPYBWZPUSA-N 0 3 396.488 -0.986 20 0 GBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C[C@@H](C)O2 ZINC000652483348 1073525759 /nfs/dbraw/zinc/52/57/59/1073525759.db2.gz SSJGDBSJPDLOOE-VCBZYWHSSA-N 0 3 396.488 -0.986 20 0 GBADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652483368 1073525348 /nfs/dbraw/zinc/52/53/48/1073525348.db2.gz UHPPAEWRUKRVSM-IBGZPJMESA-N 0 3 382.505 -0.382 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCOCC3(CCCC3)C2)CC1=O ZINC000652483391 1073525653 /nfs/dbraw/zinc/52/56/53/1073525653.db2.gz WXAOOLKBUOHYBP-UHFFFAOYSA-N 0 3 380.489 -0.362 20 0 GBADHN COCC[C@H]1CCCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652483684 1073525407 /nfs/dbraw/zinc/52/54/07/1073525407.db2.gz XFQAAGILWQAIOP-MRXNPFEDSA-N 0 3 382.505 -0.116 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1=O ZINC000652483787 1073525678 /nfs/dbraw/zinc/52/56/78/1073525678.db2.gz QBXWCUPUTZATNT-UHFFFAOYSA-N 0 3 398.529 -0.657 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1=O ZINC000652483791 1073526539 /nfs/dbraw/zinc/52/65/39/1073526539.db2.gz RBFUQSNCHNWSHW-UHFFFAOYSA-N 0 3 396.488 -0.983 20 0 GBADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652484135 1073527247 /nfs/dbraw/zinc/52/72/47/1073527247.db2.gz KLOKHOYZIPTMSL-DLBZAZTESA-N 0 3 385.505 -0.197 20 0 GBADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652484136 1073526791 /nfs/dbraw/zinc/52/67/91/1073526791.db2.gz KLOKHOYZIPTMSL-IAGOWNOFSA-N 0 3 385.505 -0.197 20 0 GBADHN COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652484137 1073526519 /nfs/dbraw/zinc/52/65/19/1073526519.db2.gz KLOKHOYZIPTMSL-IRXDYDNUSA-N 0 3 385.505 -0.197 20 0 GBADHN COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652484138 1073527188 /nfs/dbraw/zinc/52/71/88/1073527188.db2.gz KLOKHOYZIPTMSL-SJORKVTESA-N 0 3 385.505 -0.197 20 0 GBADHN CC(C)CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652487080 1073526490 /nfs/dbraw/zinc/52/64/90/1073526490.db2.gz PPIAIWZDOUHAGU-UHFFFAOYSA-N 0 3 392.504 -0.363 20 0 GBADHN COCCOCCN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000652487167 1073526654 /nfs/dbraw/zinc/52/66/54/1073526654.db2.gz UTOCZZHJZQAZDT-KRWDZBQOSA-N 0 3 384.521 -0.265 20 0 GBADHN COCCOCCN1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000652487168 1073527119 /nfs/dbraw/zinc/52/71/19/1073527119.db2.gz UTOCZZHJZQAZDT-QGZVFWFLSA-N 0 3 384.521 -0.265 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000652492040 1073527795 /nfs/dbraw/zinc/52/77/95/1073527795.db2.gz UHLXDKSFRJOIGN-DOMZBBRYSA-N 0 3 380.420 -0.505 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000652492072 1073527494 /nfs/dbraw/zinc/52/74/94/1073527494.db2.gz WADMEJIDANESCV-BBRMVZONSA-N 0 3 394.447 -0.576 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000652492073 1073528205 /nfs/dbraw/zinc/52/82/05/1073528205.db2.gz WADMEJIDANESCV-CJNGLKHVSA-N 0 3 394.447 -0.576 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1=O ZINC000652493757 1073528433 /nfs/dbraw/zinc/52/84/33/1073528433.db2.gz LBFYFEQMIROEPL-KRWDZBQOSA-N 0 3 388.468 -0.101 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC2(CCCC2)O1 ZINC000652495037 1073526977 /nfs/dbraw/zinc/52/69/77/1073526977.db2.gz JKCPUWJZLMTKPP-HNNXBMFYSA-N 0 3 380.489 -0.221 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC2(CCCC2)O1 ZINC000652495038 1073526876 /nfs/dbraw/zinc/52/68/76/1073526876.db2.gz JKCPUWJZLMTKPP-OAHLLOKOSA-N 0 3 380.489 -0.221 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)C[C@@H](O)Cc2ccccc2)CC1=O ZINC000652505314 1073527716 /nfs/dbraw/zinc/52/77/16/1073527716.db2.gz BBEFGBPJYIONBY-KRWDZBQOSA-N 0 3 390.484 -0.719 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)C[C@H](O)Cc2ccccc2)CC1=O ZINC000652505315 1073527819 /nfs/dbraw/zinc/52/78/19/1073527819.db2.gz BBEFGBPJYIONBY-QGZVFWFLSA-N 0 3 390.484 -0.719 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCC3(CCOCC3)CC2)CC1=O ZINC000652505488 1073528265 /nfs/dbraw/zinc/52/82/65/1073528265.db2.gz YHFMRMXENHVPBK-UHFFFAOYSA-N 0 3 380.489 -0.362 20 0 GBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C)CO1 ZINC000652517857 1073528717 /nfs/dbraw/zinc/52/87/17/1073528717.db2.gz YAMDJZBFZWZONT-CVEARBPZSA-N 0 3 380.489 -0.221 20 0 GBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H](C)CO1 ZINC000652517858 1073529116 /nfs/dbraw/zinc/52/91/16/1073529116.db2.gz YAMDJZBFZWZONT-HOTGVXAUSA-N 0 3 380.489 -0.221 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@@H](C)CO1 ZINC000652519871 1073528368 /nfs/dbraw/zinc/52/83/68/1073528368.db2.gz ZPLZTDGGTDAZSD-ARFHVFGLSA-N 0 3 380.489 -0.223 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H](C)CO1 ZINC000652519872 1073528024 /nfs/dbraw/zinc/52/80/24/1073528024.db2.gz ZPLZTDGGTDAZSD-BZUAXINKSA-N 0 3 380.489 -0.223 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H](C)CO1 ZINC000652519873 1073528049 /nfs/dbraw/zinc/52/80/49/1073528049.db2.gz ZPLZTDGGTDAZSD-OAGGEKHMSA-N 0 3 380.489 -0.223 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H](C)CO1 ZINC000652519874 1073527857 /nfs/dbraw/zinc/52/78/57/1073527857.db2.gz ZPLZTDGGTDAZSD-XHSDSOJGSA-N 0 3 380.489 -0.223 20 0 GBADHN CCn1cc(CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C(C)C)cn1 ZINC000652527652 1073529680 /nfs/dbraw/zinc/52/96/80/1073529680.db2.gz XKCUSRJBARJSTR-UHFFFAOYSA-N 0 3 392.504 -0.128 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652544572 1073533552 /nfs/dbraw/zinc/53/35/52/1073533552.db2.gz NONVBYCEYSEILQ-KRWDZBQOSA-N 0 3 392.504 -0.584 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652544573 1073533681 /nfs/dbraw/zinc/53/36/81/1073533681.db2.gz NONVBYCEYSEILQ-QGZVFWFLSA-N 0 3 392.504 -0.584 20 0 GBADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000652545533 1073534315 /nfs/dbraw/zinc/53/43/15/1073534315.db2.gz JBRGJXSZTYSZND-UHFFFAOYSA-N 0 3 382.505 -0.332 20 0 GBADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000652546773 1073534723 /nfs/dbraw/zinc/53/47/23/1073534723.db2.gz ADKCRADWCHGUON-UHFFFAOYSA-N 0 3 388.534 -0.282 20 0 GBADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000652546981 1073534475 /nfs/dbraw/zinc/53/44/75/1073534475.db2.gz CYLRWGAERNXAKY-INIZCTEOSA-N 0 3 378.477 -0.122 20 0 GBADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000652546982 1073535022 /nfs/dbraw/zinc/53/50/22/1073535022.db2.gz CYLRWGAERNXAKY-MRXNPFEDSA-N 0 3 378.477 -0.122 20 0 GBADHN COCCOCCN1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652547891 1073536190 /nfs/dbraw/zinc/53/61/90/1073536190.db2.gz WKVXILZJARDXQT-UHFFFAOYSA-N 0 3 384.521 -0.262 20 0 GBADHN COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000652550402 1073536347 /nfs/dbraw/zinc/53/63/47/1073536347.db2.gz KZDRWXCWQUICIV-DLBZAZTESA-N 0 3 382.505 -0.654 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652551703 1073536166 /nfs/dbraw/zinc/53/61/66/1073536166.db2.gz XATOVSVHLRHJSW-HZPDHXFCSA-N 0 3 382.505 -0.513 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CNc3ccccc3C2)CC1 ZINC000652717857 1072157777 /nfs/dbraw/zinc/15/77/77/1072157777.db2.gz SMFUSBBPXXEOQO-SJLPKXTDSA-N 0 3 399.495 -0.096 20 0 GBADHN CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(CCN(C)C)C(=O)C3)c2C1 ZINC000652734494 1072791069 /nfs/dbraw/zinc/79/10/69/1072791069.db2.gz MLJZYQVZKGHYLN-HNNXBMFYSA-N 0 3 390.488 -0.572 20 0 GBADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000652734852 1072796370 /nfs/dbraw/zinc/79/63/70/1072796370.db2.gz YEVFCFIZASPAAK-UHFFFAOYSA-N 0 3 396.513 -0.240 20 0 GBADHN CN(C)CCN1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1=O ZINC000652735130 1072807804 /nfs/dbraw/zinc/80/78/04/1072807804.db2.gz CDKPKFYEVIGTKU-KEYYUXOJSA-N 0 3 397.545 -0.055 20 0 GBADHN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652735322 1072811224 /nfs/dbraw/zinc/81/12/24/1072811224.db2.gz HEOQIRZEGXWVMS-CYBMUJFWSA-N 0 3 386.456 -0.086 20 0 GBADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652735323 1072811480 /nfs/dbraw/zinc/81/14/80/1072811480.db2.gz HEOQIRZEGXWVMS-ZDUSSCGKSA-N 0 3 386.456 -0.086 20 0 GBADHN CN(C)CCN1CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1=O ZINC000652735717 1072817918 /nfs/dbraw/zinc/81/79/18/1072817918.db2.gz RGNJSVXIYPTTGE-UHFFFAOYSA-N 0 3 386.456 -0.085 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652735770 530257736 /nfs/dbraw/zinc/25/77/36/530257736.db2.gz SXZHYYIOQHLXKP-GFCCVEGCSA-N 0 3 388.515 -0.353 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652735771 530257629 /nfs/dbraw/zinc/25/76/29/530257629.db2.gz SXZHYYIOQHLXKP-LBPRGKRZSA-N 0 3 388.515 -0.353 20 0 GBADHN CN(C)CCN1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1=O ZINC000652735945 1072819558 /nfs/dbraw/zinc/81/95/58/1072819558.db2.gz YBJSNWCEKOXJDC-UHFFFAOYSA-N 0 3 378.433 -0.102 20 0 GBADHN CN(C)CCN1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1=O ZINC000652736837 530259006 /nfs/dbraw/zinc/25/90/06/530259006.db2.gz QQXCLJUZJPYPNV-UHFFFAOYSA-N 0 3 388.515 -0.351 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652736849 1072844418 /nfs/dbraw/zinc/84/44/18/1072844418.db2.gz RAMWSEONANALRD-UHFFFAOYSA-N 0 3 384.458 -0.811 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000652736902 1072846375 /nfs/dbraw/zinc/84/63/75/1072846375.db2.gz STBCRABDJBTXSP-UHFFFAOYSA-N 0 3 396.513 -0.104 20 0 GBADHN CN(C)CCN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1=O ZINC000652736919 1072848211 /nfs/dbraw/zinc/84/82/11/1072848211.db2.gz TWEAYGUIPMUSOB-UHFFFAOYSA-N 0 3 382.486 -0.413 20 0 GBADHN COc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1OCC(N)=O ZINC000652737098 1072858468 /nfs/dbraw/zinc/85/84/68/1072858468.db2.gz ZERRFKBCANNELD-UHFFFAOYSA-N 0 3 378.429 -0.595 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000652737110 1072858955 /nfs/dbraw/zinc/85/89/55/1072858955.db2.gz ZQHVQNVWCHUVNJ-HNNXBMFYSA-N 0 3 396.513 -0.106 20 0 GBADHN CNS(=O)(=O)NCC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652812856 1073196045 /nfs/dbraw/zinc/19/60/45/1073196045.db2.gz UCCHTYZIYIWYOQ-CVEARBPZSA-N 0 3 382.486 -0.458 20 0 GBADHN CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652812859 1073196073 /nfs/dbraw/zinc/19/60/73/1073196073.db2.gz UCCHTYZIYIWYOQ-JKSUJKDBSA-N 0 3 382.486 -0.458 20 0 GBADHN CC(=O)N[C@@H](CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)C(N)=O ZINC000652813497 1073198599 /nfs/dbraw/zinc/19/85/99/1073198599.db2.gz DTWBIXQKODCUMS-OKZBNKHCSA-N 0 3 388.468 -0.132 20 0 GBADHN CC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652814319 1073198193 /nfs/dbraw/zinc/19/81/93/1073198193.db2.gz WFZZDSMUVAXAFA-QZTJIDSGSA-N 0 3 388.468 -0.259 20 0 GBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653161420 530098721 /nfs/dbraw/zinc/09/87/21/530098721.db2.gz NVULNQWAGFVHTG-BONVTDFDSA-N 0 3 375.397 -0.405 20 0 GBADHN CCO[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H]1C[NH3+] ZINC000653244623 530104307 /nfs/dbraw/zinc/10/43/07/530104307.db2.gz RRUOQCONUGRGRK-PSASIEDQSA-N 0 3 375.223 -0.466 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000653350687 1072324791 /nfs/dbraw/zinc/32/47/91/1072324791.db2.gz CDYOJBOXDBBHFG-UHFFFAOYSA-N 0 3 376.457 -0.414 20 0 GBADHN COc1ccccc1OCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653353137 1072280454 /nfs/dbraw/zinc/28/04/54/1072280454.db2.gz VMZGINOWZQMBEZ-UHFFFAOYSA-N 0 3 392.456 -0.577 20 0 GBADHN COc1ccccc1CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653355219 1072613287 /nfs/dbraw/zinc/61/32/87/1072613287.db2.gz MMZXJHBIQUUQOS-UHFFFAOYSA-N 0 3 376.457 -0.414 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)CC1=O ZINC000653360304 1072694721 /nfs/dbraw/zinc/69/47/21/1072694721.db2.gz KGICKYBPAVXJEJ-UHFFFAOYSA-N 0 3 398.467 -0.279 20 0 GBADHN CCOc1cccc(CNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000653366293 1072850596 /nfs/dbraw/zinc/85/05/96/1072850596.db2.gz XOQCBNJWBRPICP-UHFFFAOYSA-N 0 3 376.457 -0.066 20 0 GBADHN CCOc1ncccc1CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653366353 1072850435 /nfs/dbraw/zinc/85/04/35/1072850435.db2.gz ZGZBBDDTUROMBY-UHFFFAOYSA-N 0 3 377.445 -0.671 20 0 GBADHN COCCOCCN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000653368827 1072907786 /nfs/dbraw/zinc/90/77/86/1072907786.db2.gz CFJRBLOENQHZGS-KRWDZBQOSA-N 0 3 384.521 -0.216 20 0 GBADHN COCCOCCN1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000653369236 1072909550 /nfs/dbraw/zinc/90/95/50/1072909550.db2.gz NUJBCUXMGXTCLC-KRWDZBQOSA-N 0 3 384.521 -0.358 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)N(C)c1ccccc1 ZINC000653369390 1072909743 /nfs/dbraw/zinc/90/97/43/1072909743.db2.gz RHFPRBXEUBWKQB-INIZCTEOSA-N 0 3 389.500 -0.140 20 0 GBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653371337 1072914624 /nfs/dbraw/zinc/91/46/24/1072914624.db2.gz HYNAWMVHGSABGC-CVEARBPZSA-N 0 3 382.505 -0.070 20 0 GBADHN C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653371338 1072914556 /nfs/dbraw/zinc/91/45/56/1072914556.db2.gz HYNAWMVHGSABGC-HOTGVXAUSA-N 0 3 382.505 -0.070 20 0 GBADHN C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653371340 1072914493 /nfs/dbraw/zinc/91/44/93/1072914493.db2.gz HYNAWMVHGSABGC-JKSUJKDBSA-N 0 3 382.505 -0.070 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653374479 530262509 /nfs/dbraw/zinc/26/25/09/530262509.db2.gz IHFGNTDSDCOXFQ-UHFFFAOYSA-N 0 3 376.523 -0.282 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)NCCCN(C)CC(F)(F)F)CC1=O ZINC000653374550 1072919675 /nfs/dbraw/zinc/91/96/75/1072919675.db2.gz KHVJFZLHIKXNHH-UHFFFAOYSA-N 0 3 395.426 -0.781 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)NCCCNc2ccccn2)CC1=O ZINC000653374610 1072919208 /nfs/dbraw/zinc/91/92/08/1072919208.db2.gz LNXHXDMXYDJAJX-UHFFFAOYSA-N 0 3 376.461 -0.768 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)CN1CCN(C)CC1 ZINC000653377340 1072951763 /nfs/dbraw/zinc/95/17/63/1072951763.db2.gz WOMDFJPANUGPGZ-NVXWUHKLSA-N 0 3 392.504 -0.680 20 0 GBADHN CCN(CCCNC(=O)C(=O)N(C)CCN1CCCCC1)S(C)(=O)=O ZINC000653379138 530263852 /nfs/dbraw/zinc/26/38/52/530263852.db2.gz KHAZQDSYEBVSKY-UHFFFAOYSA-N 0 3 376.523 -0.282 20 0 GBADHN CCCOc1ncccc1CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653383343 1072963595 /nfs/dbraw/zinc/96/35/95/1072963595.db2.gz LXRHQBUFGKMIPF-UHFFFAOYSA-N 0 3 391.472 -0.281 20 0 GBADHN C[C@@H](CO)C1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 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ZINC000656284360 1072484172 /nfs/dbraw/zinc/48/41/72/1072484172.db2.gz PYLRVCKSOUONNT-ARFHVFGLSA-N 0 3 376.457 -0.190 20 0 GBADHN O=C(NC[C@@H](c1ccco1)N1CCCC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656284361 1072483826 /nfs/dbraw/zinc/48/38/26/1072483826.db2.gz PYLRVCKSOUONNT-XHSDSOJGSA-N 0 3 376.457 -0.190 20 0 GBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)Cc1ccccc1 ZINC000656285697 1072485799 /nfs/dbraw/zinc/48/57/99/1072485799.db2.gz FUVOEIXDMLHYDX-KRWDZBQOSA-N 0 3 399.499 -0.247 20 0 GBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)Cc1ccccc1 ZINC000656285698 1072485515 /nfs/dbraw/zinc/48/55/15/1072485515.db2.gz FUVOEIXDMLHYDX-QGZVFWFLSA-N 0 3 399.499 -0.247 20 0 GBADHN COc1cccc([C@H](CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)N(C)C)c1 ZINC000656287343 1072488230 /nfs/dbraw/zinc/48/82/30/1072488230.db2.gz WAKBYTHFDZNUTQ-JZXOWHBKSA-N 0 3 390.484 -0.309 20 0 GBADHN COc1cccc([C@@H](CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)N(C)C)c1 ZINC000656287345 1072488483 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387.484 -0.560 20 0 GBADHN O=C(NC1CCN(Cc2ccccn2)CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656292464 1072494414 /nfs/dbraw/zinc/49/44/14/1072494414.db2.gz CGSJWGOWCDTGHR-ZWKOTPCHSA-N 0 3 387.484 -0.560 20 0 GBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295194 1072493189 /nfs/dbraw/zinc/49/31/89/1072493189.db2.gz GIHJCHPGUKZAAP-BBWFWOEESA-N 0 3 378.448 -0.178 20 0 GBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295195 1072493102 /nfs/dbraw/zinc/49/31/02/1072493102.db2.gz GIHJCHPGUKZAAP-GVDBMIGSSA-N 0 3 378.448 -0.178 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656296208 1072494317 /nfs/dbraw/zinc/49/43/17/1072494317.db2.gz HCSKEQQDRMWVNG-CVEARBPZSA-N 0 3 379.505 -0.554 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656296209 1072493978 /nfs/dbraw/zinc/49/39/78/1072493978.db2.gz HCSKEQQDRMWVNG-HOTGVXAUSA-N 0 3 379.505 -0.554 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656296210 1072493795 /nfs/dbraw/zinc/49/37/95/1072493795.db2.gz HCSKEQQDRMWVNG-HZPDHXFCSA-N 0 3 379.505 -0.554 20 0 GBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656296211 1072494303 /nfs/dbraw/zinc/49/43/03/1072494303.db2.gz HCSKEQQDRMWVNG-JKSUJKDBSA-N 0 3 379.505 -0.554 20 0 GBADHN CCC(C)(C)N1CCN(C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)CC1 ZINC000656296585 1072494979 /nfs/dbraw/zinc/49/49/79/1072494979.db2.gz LXZMNKAFFHMZKO-UHFFFAOYSA-N 0 3 381.521 -0.354 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656297072 1072496105 /nfs/dbraw/zinc/49/61/05/1072496105.db2.gz SEKLLRUGLLEKNV-KURKYZTESA-N 0 3 397.564 -0.256 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656297073 1072496147 /nfs/dbraw/zinc/49/61/47/1072496147.db2.gz SEKLLRUGLLEKNV-OKZBNKHCSA-N 0 3 397.564 -0.256 20 0 GBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3nncn3C)CC2)CCSC1 ZINC000656298534 1072497522 /nfs/dbraw/zinc/49/75/22/1072497522.db2.gz HGOUDLCUZUBLEF-INIZCTEOSA-N 0 3 381.506 -0.983 20 0 GBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3nncn3C)CC2)CCSC1 ZINC000656298535 1072496936 /nfs/dbraw/zinc/49/69/36/1072496936.db2.gz HGOUDLCUZUBLEF-MRXNPFEDSA-N 0 3 381.506 -0.983 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656298965 1072497122 /nfs/dbraw/zinc/49/71/22/1072497122.db2.gz WFKYNRDMRJYVOW-CABCVRRESA-N 0 3 388.534 -0.093 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656298966 1072496928 /nfs/dbraw/zinc/49/69/28/1072496928.db2.gz WFKYNRDMRJYVOW-GJZGRUSLSA-N 0 3 388.534 -0.093 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656298967 1072497496 /nfs/dbraw/zinc/49/74/96/1072497496.db2.gz WFKYNRDMRJYVOW-HUUCEWRRSA-N 0 3 388.534 -0.093 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656299054 1072497446 /nfs/dbraw/zinc/49/74/46/1072497446.db2.gz WFKYNRDMRJYVOW-LSDHHAIUSA-N 0 3 388.534 -0.093 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)CN1CCN(C)CC1 ZINC000656299992 1072498666 /nfs/dbraw/zinc/49/86/66/1072498666.db2.gz GORQWIOBYKKUOD-TVFCKZIOSA-N 0 3 397.564 -0.400 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)CN1CCN(C)CC1 ZINC000656299993 1072498115 /nfs/dbraw/zinc/49/81/15/1072498115.db2.gz GORQWIOBYKKUOD-XDNAFOTISA-N 0 3 397.564 -0.400 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)CN1CCN(C)CC1 ZINC000656299994 1072498699 /nfs/dbraw/zinc/49/86/99/1072498699.db2.gz GORQWIOBYKKUOD-XLAORIBOSA-N 0 3 397.564 -0.400 20 0 GBADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656299995 1072498588 /nfs/dbraw/zinc/49/85/88/1072498588.db2.gz GORQWIOBYKKUOD-XWTMOSNGSA-N 0 3 397.564 -0.400 20 0 GBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656301164 1072498274 /nfs/dbraw/zinc/49/82/74/1072498274.db2.gz YRWNSGHSQJZAJP-KRWDZBQOSA-N 0 3 399.499 -0.247 20 0 GBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656301166 1072498498 /nfs/dbraw/zinc/49/84/98/1072498498.db2.gz YRWNSGHSQJZAJP-QGZVFWFLSA-N 0 3 399.499 -0.247 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656301229 1072498530 /nfs/dbraw/zinc/49/85/30/1072498530.db2.gz ZIVBCONUAOQXGQ-AWEZNQCLSA-N 0 3 394.524 -0.566 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656301230 1072499042 /nfs/dbraw/zinc/49/90/42/1072499042.db2.gz ZIVBCONUAOQXGQ-CQSZACIVSA-N 0 3 394.524 -0.566 20 0 GBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656302804 1072499247 /nfs/dbraw/zinc/49/92/47/1072499247.db2.gz CWWPHCWUZUTBEH-CABCVRRESA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656302806 1072499469 /nfs/dbraw/zinc/49/94/69/1072499469.db2.gz CWWPHCWUZUTBEH-GJZGRUSLSA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656302808 1072499566 /nfs/dbraw/zinc/49/95/66/1072499566.db2.gz CWWPHCWUZUTBEH-HUUCEWRRSA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656302809 1072499630 /nfs/dbraw/zinc/49/96/30/1072499630.db2.gz CWWPHCWUZUTBEH-LSDHHAIUSA-N 0 3 377.493 -0.300 20 0 GBADHN CCN(CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)S(C)(=O)=O ZINC000656303972 1072500480 /nfs/dbraw/zinc/50/04/80/1072500480.db2.gz YVIKOOOZSUDZPQ-CABCVRRESA-N 0 3 388.534 -0.093 20 0 GBADHN CCN(CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)S(C)(=O)=O ZINC000656303973 1072500530 /nfs/dbraw/zinc/50/05/30/1072500530.db2.gz YVIKOOOZSUDZPQ-GJZGRUSLSA-N 0 3 388.534 -0.093 20 0 GBADHN CCN(CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)S(C)(=O)=O ZINC000656303974 1072500506 /nfs/dbraw/zinc/50/05/06/1072500506.db2.gz YVIKOOOZSUDZPQ-HUUCEWRRSA-N 0 3 388.534 -0.093 20 0 GBADHN CCN(CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)S(C)(=O)=O ZINC000656303975 1072500150 /nfs/dbraw/zinc/50/01/50/1072500150.db2.gz YVIKOOOZSUDZPQ-LSDHHAIUSA-N 0 3 388.534 -0.093 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)N1CCC(C)CC1 ZINC000656305062 1072500072 /nfs/dbraw/zinc/50/00/72/1072500072.db2.gz OJTLZHBRWYAUHB-HNNXBMFYSA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)N1CCC(C)CC1 ZINC000656305063 1072500123 /nfs/dbraw/zinc/50/01/23/1072500123.db2.gz OJTLZHBRWYAUHB-OAHLLOKOSA-N 0 3 377.493 -0.300 20 0 GBADHN C[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCc2ccccc2C1 ZINC000656306079 1072501217 /nfs/dbraw/zinc/50/12/17/1072501217.db2.gz HGZDIWMECJETEM-ZYSHUDEJSA-N 0 3 386.496 -0.173 20 0 GBADHN CCC(C)(C)N1CCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000656311971 1072504665 /nfs/dbraw/zinc/50/46/65/1072504665.db2.gz JXGSXERIONSSFG-UHFFFAOYSA-N 0 3 395.548 -0.012 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656312593 1072507296 /nfs/dbraw/zinc/50/72/96/1072507296.db2.gz OJFZZAQPAYLOGW-DLBZAZTESA-N 0 3 393.532 -0.212 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656312597 1072506566 /nfs/dbraw/zinc/50/65/66/1072506566.db2.gz OJFZZAQPAYLOGW-IAGOWNOFSA-N 0 3 393.532 -0.212 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656312599 1072507168 /nfs/dbraw/zinc/50/71/68/1072507168.db2.gz OJFZZAQPAYLOGW-IRXDYDNUSA-N 0 3 393.532 -0.212 20 0 GBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656312601 1072506816 /nfs/dbraw/zinc/50/68/16/1072506816.db2.gz OJFZZAQPAYLOGW-SJORKVTESA-N 0 3 393.532 -0.212 20 0 GBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656316707 1072508795 /nfs/dbraw/zinc/50/87/95/1072508795.db2.gz TYHPGQDLPRPEQZ-HNNXBMFYSA-N 0 3 377.493 -0.156 20 0 GBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656316708 1072509324 /nfs/dbraw/zinc/50/93/24/1072509324.db2.gz TYHPGQDLPRPEQZ-OAHLLOKOSA-N 0 3 377.493 -0.156 20 0 GBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccc1F ZINC000656316755 1072509110 /nfs/dbraw/zinc/50/91/10/1072509110.db2.gz ULJPKLSILIQJTJ-JKSUJKDBSA-N 0 3 378.448 -0.219 20 0 GBADHN CN1CCN(CCNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1(C)C ZINC000656318890 1072511176 /nfs/dbraw/zinc/51/11/76/1072511176.db2.gz UXSKOENOFORPDI-UHFFFAOYSA-N 0 3 380.497 -0.814 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656319112 1072511367 /nfs/dbraw/zinc/51/13/67/1072511367.db2.gz YPHVWSFGHLWTHZ-YESZJQIVSA-N 0 3 397.564 -0.258 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656319114 1072510880 /nfs/dbraw/zinc/51/08/80/1072510880.db2.gz YPHVWSFGHLWTHZ-ZACQAIPSSA-N 0 3 397.564 -0.258 20 0 GBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)C2=O)cn1 ZINC000656319652 1072512082 /nfs/dbraw/zinc/51/20/82/1072512082.db2.gz YSTJDYZPYVODQQ-HRCADAONSA-N 0 3 388.472 -0.225 20 0 GBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C2=O)cn1 ZINC000656319653 1072512027 /nfs/dbraw/zinc/51/20/27/1072512027.db2.gz YSTJDYZPYVODQQ-JYJNAYRXSA-N 0 3 388.472 -0.225 20 0 GBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C2=O)cn1 ZINC000656319654 1072512045 /nfs/dbraw/zinc/51/20/45/1072512045.db2.gz YSTJDYZPYVODQQ-OWCLPIDISA-N 0 3 388.472 -0.225 20 0 GBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C2=O)cn1 ZINC000656319655 1072511228 /nfs/dbraw/zinc/51/12/28/1072511228.db2.gz YSTJDYZPYVODQQ-PMPSAXMXSA-N 0 3 388.472 -0.225 20 0 GBADHN CC[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCOCC1 ZINC000656325543 1072516014 /nfs/dbraw/zinc/51/60/14/1072516014.db2.gz URTIYLMJRDCFNN-ARFHVFGLSA-N 0 3 380.489 -0.127 20 0 GBADHN CC[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCOCC1 ZINC000656325544 1072515332 /nfs/dbraw/zinc/51/53/32/1072515332.db2.gz URTIYLMJRDCFNN-HRCADAONSA-N 0 3 380.489 -0.127 20 0 GBADHN CC[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCOCC1 ZINC000656325545 1072516059 /nfs/dbraw/zinc/51/60/59/1072516059.db2.gz URTIYLMJRDCFNN-JYJNAYRXSA-N 0 3 380.489 -0.127 20 0 GBADHN CC[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCOCC1 ZINC000656325646 1072515764 /nfs/dbraw/zinc/51/57/64/1072515764.db2.gz URTIYLMJRDCFNN-XHSDSOJGSA-N 0 3 380.489 -0.127 20 0 GBADHN CCN(CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000656332689 1072518232 /nfs/dbraw/zinc/51/82/32/1072518232.db2.gz ZZXPWJURJSFASE-QWHCGFSZSA-N 0 3 380.411 -0.346 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1CCCN3CCCC[C@@H]13)CC2 ZINC000656334324 1072519491 /nfs/dbraw/zinc/51/94/91/1072519491.db2.gz PBLSMNGISRMUDF-ILXRZTDVSA-N 0 3 390.488 -0.011 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)CC2 ZINC000656334325 1072519623 /nfs/dbraw/zinc/51/96/23/1072519623.db2.gz PBLSMNGISRMUDF-KFWWJZLASA-N 0 3 390.488 -0.011 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1CCCN3CCCC[C@H]13)CC2 ZINC000656334326 1072519569 /nfs/dbraw/zinc/51/95/69/1072519569.db2.gz PBLSMNGISRMUDF-QLFBSQMISA-N 0 3 390.488 -0.011 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)CC2 ZINC000656334405 1072520465 /nfs/dbraw/zinc/52/04/65/1072520465.db2.gz PBLSMNGISRMUDF-RBSFLKMASA-N 0 3 390.488 -0.011 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656335812 1072519259 /nfs/dbraw/zinc/51/92/59/1072519259.db2.gz OYYLQIHVXLDRAZ-ILXRZTDVSA-N 0 3 386.518 -0.340 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656335813 1072519111 /nfs/dbraw/zinc/51/91/11/1072519111.db2.gz OYYLQIHVXLDRAZ-KFWWJZLASA-N 0 3 386.518 -0.340 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656335814 1072519435 /nfs/dbraw/zinc/51/94/35/1072519435.db2.gz OYYLQIHVXLDRAZ-QLFBSQMISA-N 0 3 386.518 -0.340 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656335815 1072519795 /nfs/dbraw/zinc/51/97/95/1072519795.db2.gz OYYLQIHVXLDRAZ-RBSFLKMASA-N 0 3 386.518 -0.340 20 0 GBADHN Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000656337577 1072520524 /nfs/dbraw/zinc/52/05/24/1072520524.db2.gz VFIHLTXPBRDWCG-AWEZNQCLSA-N 0 3 377.493 -0.300 20 0 GBADHN Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000656337581 1072520500 /nfs/dbraw/zinc/52/05/00/1072520500.db2.gz VFIHLTXPBRDWCG-CQSZACIVSA-N 0 3 377.493 -0.300 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)CC1=O ZINC000656341902 1072521515 /nfs/dbraw/zinc/52/15/15/1072521515.db2.gz REOIRSCOACYFBQ-DOTOQJQBSA-N 0 3 380.489 -0.317 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)CC1=O ZINC000656341903 1072521671 /nfs/dbraw/zinc/52/16/71/1072521671.db2.gz REOIRSCOACYFBQ-NVXWUHKLSA-N 0 3 380.489 -0.317 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)CC1=O ZINC000656341904 1072521904 /nfs/dbraw/zinc/52/19/04/1072521904.db2.gz REOIRSCOACYFBQ-RDJZCZTQSA-N 0 3 380.489 -0.317 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)CC1=O ZINC000656341905 1072521915 /nfs/dbraw/zinc/52/19/15/1072521915.db2.gz REOIRSCOACYFBQ-WBVHZDCISA-N 0 3 380.489 -0.317 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656353299 1072524807 /nfs/dbraw/zinc/52/48/07/1072524807.db2.gz ADSXTWQAQGDXCN-ILXRZTDVSA-N 0 3 386.518 -0.340 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656353301 1072524748 /nfs/dbraw/zinc/52/47/48/1072524748.db2.gz ADSXTWQAQGDXCN-KFWWJZLASA-N 0 3 386.518 -0.340 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656353303 1072524835 /nfs/dbraw/zinc/52/48/35/1072524835.db2.gz ADSXTWQAQGDXCN-QLFBSQMISA-N 0 3 386.518 -0.340 20 0 GBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656353305 1072524868 /nfs/dbraw/zinc/52/48/68/1072524868.db2.gz ADSXTWQAQGDXCN-RBSFLKMASA-N 0 3 386.518 -0.340 20 0 GBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353680 1072525202 /nfs/dbraw/zinc/52/52/02/1072525202.db2.gz BWYVYZFBGMCLPC-CABCVRRESA-N 0 3 379.505 -0.472 20 0 GBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353682 1072524904 /nfs/dbraw/zinc/52/49/04/1072524904.db2.gz BWYVYZFBGMCLPC-GJZGRUSLSA-N 0 3 379.505 -0.472 20 0 GBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353684 1072525087 /nfs/dbraw/zinc/52/50/87/1072525087.db2.gz BWYVYZFBGMCLPC-HUUCEWRRSA-N 0 3 379.505 -0.472 20 0 GBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353686 1072525181 /nfs/dbraw/zinc/52/51/81/1072525181.db2.gz BWYVYZFBGMCLPC-LSDHHAIUSA-N 0 3 379.505 -0.472 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656355162 1072526697 /nfs/dbraw/zinc/52/66/97/1072526697.db2.gz JWWNLHXAQFLQHL-ILXRZTDVSA-N 0 3 386.518 -0.340 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656355163 1072526487 /nfs/dbraw/zinc/52/64/87/1072526487.db2.gz JWWNLHXAQFLQHL-KFWWJZLASA-N 0 3 386.518 -0.340 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656355164 1072526388 /nfs/dbraw/zinc/52/63/88/1072526388.db2.gz JWWNLHXAQFLQHL-QLFBSQMISA-N 0 3 386.518 -0.340 20 0 GBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656355165 1072526249 /nfs/dbraw/zinc/52/62/49/1072526249.db2.gz JWWNLHXAQFLQHL-RBSFLKMASA-N 0 3 386.518 -0.340 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656355515 1072525716 /nfs/dbraw/zinc/52/57/16/1072525716.db2.gz KZBPIDNICVMMOX-DLBZAZTESA-N 0 3 393.532 -0.258 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656355516 1072525810 /nfs/dbraw/zinc/52/58/10/1072525810.db2.gz KZBPIDNICVMMOX-IAGOWNOFSA-N 0 3 393.532 -0.258 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656355517 1072525857 /nfs/dbraw/zinc/52/58/57/1072525857.db2.gz KZBPIDNICVMMOX-IRXDYDNUSA-N 0 3 393.532 -0.258 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656355518 1072525929 /nfs/dbraw/zinc/52/59/29/1072525929.db2.gz KZBPIDNICVMMOX-SJORKVTESA-N 0 3 393.532 -0.258 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355703 1072526002 /nfs/dbraw/zinc/52/60/02/1072526002.db2.gz NEXKUQRGXVZMJG-BBWFWOEESA-N 0 3 382.505 -0.729 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355704 1072526272 /nfs/dbraw/zinc/52/62/72/1072526272.db2.gz NEXKUQRGXVZMJG-GVDBMIGSSA-N 0 3 382.505 -0.729 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355705 1072525660 /nfs/dbraw/zinc/52/56/60/1072525660.db2.gz NEXKUQRGXVZMJG-ULQDDVLXSA-N 0 3 382.505 -0.729 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355706 1072526605 /nfs/dbraw/zinc/52/66/05/1072526605.db2.gz NEXKUQRGXVZMJG-YESZJQIVSA-N 0 3 382.505 -0.729 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2=O)cn1 ZINC000656356351 1072527332 /nfs/dbraw/zinc/52/73/32/1072527332.db2.gz SMRLHQDCAURLRD-CVEARBPZSA-N 0 3 388.472 -0.272 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2=O)cn1 ZINC000656356352 1072527640 /nfs/dbraw/zinc/52/76/40/1072527640.db2.gz SMRLHQDCAURLRD-HOTGVXAUSA-N 0 3 388.472 -0.272 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2=O)cn1 ZINC000656356353 1072527852 /nfs/dbraw/zinc/52/78/52/1072527852.db2.gz SMRLHQDCAURLRD-HZPDHXFCSA-N 0 3 388.472 -0.272 20 0 GBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2=O)cn1 ZINC000656356354 1072527679 /nfs/dbraw/zinc/52/76/79/1072527679.db2.gz SMRLHQDCAURLRD-JKSUJKDBSA-N 0 3 388.472 -0.272 20 0 GBADHN CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356675 1072527244 /nfs/dbraw/zinc/52/72/44/1072527244.db2.gz GKDCVLXBENDXSH-CABCVRRESA-N 0 3 386.518 -0.387 20 0 GBADHN CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356676 1072527433 /nfs/dbraw/zinc/52/74/33/1072527433.db2.gz GKDCVLXBENDXSH-GJZGRUSLSA-N 0 3 386.518 -0.387 20 0 GBADHN CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356677 1072527586 /nfs/dbraw/zinc/52/75/86/1072527586.db2.gz GKDCVLXBENDXSH-HUUCEWRRSA-N 0 3 386.518 -0.387 20 0 GBADHN CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356678 1072527532 /nfs/dbraw/zinc/52/75/32/1072527532.db2.gz GKDCVLXBENDXSH-LSDHHAIUSA-N 0 3 386.518 -0.387 20 0 GBADHN Nc1nsc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)n1 ZINC000656356755 1072527496 /nfs/dbraw/zinc/52/74/96/1072527496.db2.gz WFRDAVMUXCFDGQ-CHWSQXEVSA-N 0 3 393.517 -0.098 20 0 GBADHN Nc1nsc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)n1 ZINC000656356756 1072527784 /nfs/dbraw/zinc/52/77/84/1072527784.db2.gz WFRDAVMUXCFDGQ-OLZOCXBDSA-N 0 3 393.517 -0.098 20 0 GBADHN Nc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)n1 ZINC000656356757 1072527158 /nfs/dbraw/zinc/52/71/58/1072527158.db2.gz WFRDAVMUXCFDGQ-QWHCGFSZSA-N 0 3 393.517 -0.098 20 0 GBADHN Nc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)n1 ZINC000656356758 1072527818 /nfs/dbraw/zinc/52/78/18/1072527818.db2.gz WFRDAVMUXCFDGQ-STQMWFEESA-N 0 3 393.517 -0.098 20 0 GBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1=O ZINC000656356987 1072527394 /nfs/dbraw/zinc/52/73/94/1072527394.db2.gz XRNQPUCWECTKOO-CVEARBPZSA-N 0 3 380.489 -0.173 20 0 GBADHN COCCN1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1=O ZINC000656356988 1072527033 /nfs/dbraw/zinc/52/70/33/1072527033.db2.gz XRNQPUCWECTKOO-HOTGVXAUSA-N 0 3 380.489 -0.173 20 0 GBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1=O ZINC000656356989 1072527067 /nfs/dbraw/zinc/52/70/67/1072527067.db2.gz XRNQPUCWECTKOO-HZPDHXFCSA-N 0 3 380.489 -0.173 20 0 GBADHN COCCN1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1=O ZINC000656356990 1072527459 /nfs/dbraw/zinc/52/74/59/1072527459.db2.gz XRNQPUCWECTKOO-JKSUJKDBSA-N 0 3 380.489 -0.173 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656357259 1072526638 /nfs/dbraw/zinc/52/66/38/1072526638.db2.gz YLTATLNOJAYQRC-KKUMJFAQSA-N 0 3 386.518 -0.340 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656357260 1072526100 /nfs/dbraw/zinc/52/61/00/1072526100.db2.gz YLTATLNOJAYQRC-RRFJBIMHSA-N 0 3 386.518 -0.340 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656357261 1072526291 /nfs/dbraw/zinc/52/62/91/1072526291.db2.gz YLTATLNOJAYQRC-SOUVJXGZSA-N 0 3 386.518 -0.340 20 0 GBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656357262 1072526332 /nfs/dbraw/zinc/52/63/32/1072526332.db2.gz YLTATLNOJAYQRC-ZNMIVQPWSA-N 0 3 386.518 -0.340 20 0 GBADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000656357742 1072527317 /nfs/dbraw/zinc/52/73/17/1072527317.db2.gz HBJZLDDJXYMMOK-BRWVUGGUSA-N 0 3 392.500 -0.031 20 0 GBADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000656357746 1072527744 /nfs/dbraw/zinc/52/77/44/1072527744.db2.gz HBJZLDDJXYMMOK-IKGGRYGDSA-N 0 3 392.500 -0.031 20 0 GBADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000656357748 1072528842 /nfs/dbraw/zinc/52/88/42/1072528842.db2.gz HBJZLDDJXYMMOK-IXDOHACOSA-N 0 3 392.500 -0.031 20 0 GBADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000656357751 1072528761 /nfs/dbraw/zinc/52/87/61/1072528761.db2.gz HBJZLDDJXYMMOK-ZACQAIPSSA-N 0 3 392.500 -0.031 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656357919 1072527299 /nfs/dbraw/zinc/52/72/99/1072527299.db2.gz MTHZCPJMDTZTLH-ROUUACIJSA-N 0 3 396.532 -0.075 20 0 GBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656357921 1072527278 /nfs/dbraw/zinc/52/72/78/1072527278.db2.gz MTHZCPJMDTZTLH-ZWKOTPCHSA-N 0 3 396.532 -0.075 20 0 GBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656358700 1072528536 /nfs/dbraw/zinc/52/85/36/1072528536.db2.gz LXJXXYHKQWQWGC-CVEARBPZSA-N 0 3 379.505 -0.600 20 0 GBADHN 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CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000657099334 530125326 /nfs/dbraw/zinc/12/53/26/530125326.db2.gz DYAPCBJGJVSKMH-STQMWFEESA-N 0 3 394.519 -0.848 20 0 GBADHN CN(CC1CN(C)C1)C(=O)c1cc(S(=O)(=O)N(C)CC2CN(C)C2)c[nH]1 ZINC000657124971 1072246217 /nfs/dbraw/zinc/24/62/17/1072246217.db2.gz WSDMVDNPFWSYBY-UHFFFAOYSA-N 0 3 383.518 -0.170 20 0 GBADHN Cn1cc(CNC[C@H](O)Cn2ccnn2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657492059 1072373931 /nfs/dbraw/zinc/37/39/31/1072373931.db2.gz PZBPUTCWJFIUIX-AWEZNQCLSA-N 0 3 395.423 -0.042 20 0 GBADHN Cn1cc(CNC[C@@H](O)Cn2ccnn2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657492060 1072374205 /nfs/dbraw/zinc/37/42/05/1072374205.db2.gz PZBPUTCWJFIUIX-CQSZACIVSA-N 0 3 395.423 -0.042 20 0 GBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C)nnc2N(C)C)CC1 ZINC000657522411 1072385619 /nfs/dbraw/zinc/38/56/19/1072385619.db2.gz VUJFDAQFVKAYRN-AWEZNQCLSA-N 0 3 377.493 -0.068 20 0 GBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C)nnc2N(C)C)CC1 ZINC000657522415 1072385457 /nfs/dbraw/zinc/38/54/57/1072385457.db2.gz VUJFDAQFVKAYRN-CQSZACIVSA-N 0 3 377.493 -0.068 20 0 GBADHN Cn1cc(CNCCNC(=O)c2ccc(Br)cn2)c(=O)n(C)c1=O ZINC000657564634 530129497 /nfs/dbraw/zinc/12/94/97/530129497.db2.gz XKVARZRKDMYLQW-UHFFFAOYSA-N 0 3 396.245 -0.239 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000657577785 1072394976 /nfs/dbraw/zinc/39/49/76/1072394976.db2.gz MHNDHYWEXQRLNZ-HNNXBMFYSA-N 0 3 393.488 -0.219 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000657577786 1072394885 /nfs/dbraw/zinc/39/48/85/1072394885.db2.gz MHNDHYWEXQRLNZ-OAHLLOKOSA-N 0 3 393.488 -0.219 20 0 GBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657613081 1072397385 /nfs/dbraw/zinc/39/73/85/1072397385.db2.gz QUCQDGDIHMJQMB-HNNXBMFYSA-N 0 3 380.445 -0.040 20 0 GBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657613083 1072397460 /nfs/dbraw/zinc/39/74/60/1072397460.db2.gz QUCQDGDIHMJQMB-OAHLLOKOSA-N 0 3 380.445 -0.040 20 0 GBADHN COCc1nccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000657623299 1072399659 /nfs/dbraw/zinc/39/96/59/1072399659.db2.gz ZHNVKIVGSPLWLU-UHFFFAOYSA-N 0 3 390.444 -0.672 20 0 GBADHN CCn1ncc(C)c1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000657623301 1072399527 /nfs/dbraw/zinc/39/95/27/1072399527.db2.gz ZUSXEHTXFHKVMY-UHFFFAOYSA-N 0 3 376.461 -0.083 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnc(COC)n2)CC1 ZINC000657623769 1072398684 /nfs/dbraw/zinc/39/86/84/1072398684.db2.gz YKLGUISASBNRMW-UHFFFAOYSA-N 0 3 392.460 -0.426 20 0 GBADHN CCn1ncc(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000657738384 1072438597 /nfs/dbraw/zinc/43/85/97/1072438597.db2.gz BWLOEYLSIQNMJB-AWEZNQCLSA-N 0 3 376.461 -0.085 20 0 GBADHN CCn1ncc(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000657738385 1072438707 /nfs/dbraw/zinc/43/87/07/1072438707.db2.gz BWLOEYLSIQNMJB-CQSZACIVSA-N 0 3 376.461 -0.085 20 0 GBADHN COCc1nccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000657738858 1072440649 /nfs/dbraw/zinc/44/06/49/1072440649.db2.gz VRBDPGBRCRTQNT-CYBMUJFWSA-N 0 3 390.444 -0.674 20 0 GBADHN COCc1nccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000657738859 1072440572 /nfs/dbraw/zinc/44/05/72/1072440572.db2.gz VRBDPGBRCRTQNT-ZDUSSCGKSA-N 0 3 390.444 -0.674 20 0 GBADHN Cn1cc(CNC[C@]2(CO)COCCN2Cc2ccccc2)c(=O)n(C)c1=O ZINC000657743765 1072445345 /nfs/dbraw/zinc/44/53/45/1072445345.db2.gz HFFWKCIOSYFTRF-FQEVSTJZSA-N 0 3 388.468 -0.563 20 0 GBADHN Cn1cc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)c(=O)n(C)c1=O ZINC000657743770 1072445477 /nfs/dbraw/zinc/44/54/77/1072445477.db2.gz HFFWKCIOSYFTRF-HXUWFJFHSA-N 0 3 388.468 -0.563 20 0 GBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657840038 1072547651 /nfs/dbraw/zinc/54/76/51/1072547651.db2.gz AEFANRZBJIZXBL-UHFFFAOYSA-N 0 3 392.456 -0.690 20 0 GBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000657840785 1072547927 /nfs/dbraw/zinc/54/79/27/1072547927.db2.gz JTHCGEXIDTZFGH-UHFFFAOYSA-N 0 3 390.440 -0.134 20 0 GBADHN Cc1cn2ccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)cc2n1 ZINC000657841262 1072548956 /nfs/dbraw/zinc/54/89/56/1072548956.db2.gz OLZMHCJSAFNHEI-UHFFFAOYSA-N 0 3 377.445 -0.020 20 0 GBADHN C[C@@H](Cn1cncn1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000657841864 1072548403 /nfs/dbraw/zinc/54/84/03/1072548403.db2.gz HMKZGWDOXOKJTK-HNNXBMFYSA-N 0 3 379.490 -0.197 20 0 GBADHN C[C@H](Cn1cncn1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000657841867 1072548929 /nfs/dbraw/zinc/54/89/29/1072548929.db2.gz HMKZGWDOXOKJTK-OAHLLOKOSA-N 0 3 379.490 -0.197 20 0 GBADHN CN1CCN(CCNC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1(C)C ZINC000657926768 1072629919 /nfs/dbraw/zinc/62/99/19/1072629919.db2.gz HTUDKLHBQKIYNE-UHFFFAOYSA-N 0 3 379.461 -0.467 20 0 GBADHN Cc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(N(C)C)nn1 ZINC000657931086 1072631395 /nfs/dbraw/zinc/63/13/95/1072631395.db2.gz ZDXLUFIDNYJZTA-UHFFFAOYSA-N 0 3 377.493 -0.068 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(N(C)C)nn1 ZINC000658039708 1072655073 /nfs/dbraw/zinc/65/50/73/1072655073.db2.gz BCQHCTZHLKJQSW-GFCCVEGCSA-N 0 3 377.449 -0.632 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(N(C)C)nn1 ZINC000658039712 1072654682 /nfs/dbraw/zinc/65/46/82/1072654682.db2.gz BCQHCTZHLKJQSW-LBPRGKRZSA-N 0 3 377.449 -0.632 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC000658039852 1072654861 /nfs/dbraw/zinc/65/48/61/1072654861.db2.gz FXAZGIROPGZQIE-CYBMUJFWSA-N 0 3 392.460 -0.249 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC000658039853 1072654648 /nfs/dbraw/zinc/65/46/48/1072654648.db2.gz FXAZGIROPGZQIE-ZDUSSCGKSA-N 0 3 392.460 -0.249 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000658039886 1072655037 /nfs/dbraw/zinc/65/50/37/1072655037.db2.gz GMQZTBURFCRYCD-CYBMUJFWSA-N 0 3 399.455 -0.001 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000658039887 1072654803 /nfs/dbraw/zinc/65/48/03/1072654803.db2.gz GMQZTBURFCRYCD-ZDUSSCGKSA-N 0 3 399.455 -0.001 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000658039950 1072655064 /nfs/dbraw/zinc/65/50/64/1072655064.db2.gz HZOFNWTVYQMRMA-GFCCVEGCSA-N 0 3 387.440 -0.511 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000658039951 1072655082 /nfs/dbraw/zinc/65/50/82/1072655082.db2.gz HZOFNWTVYQMRMA-LBPRGKRZSA-N 0 3 387.440 -0.511 20 0 GBADHN Cc1cc(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c(N(C)C)nn1 ZINC000658045063 1072655109 /nfs/dbraw/zinc/65/51/09/1072655109.db2.gz DVZVNTRYVVGBKC-UHFFFAOYSA-N 0 3 377.449 -0.978 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1=O ZINC000658046247 1072654933 /nfs/dbraw/zinc/65/49/33/1072654933.db2.gz KCFUIEPIWNPWAI-UHFFFAOYSA-N 0 3 399.455 -0.347 20 0 GBADHN CCOc1ccc(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)nc1C ZINC000658047469 1072655096 /nfs/dbraw/zinc/65/50/96/1072655096.db2.gz QSJJFBWKYSOTDQ-UHFFFAOYSA-N 0 3 377.445 -0.040 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2ccn(C3CCOCC3)n2)CC1=O ZINC000658048303 1072654660 /nfs/dbraw/zinc/65/46/60/1072654660.db2.gz XCNLRINHWLGQFM-UHFFFAOYSA-N 0 3 392.460 -0.595 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1=O ZINC000658048494 1072654986 /nfs/dbraw/zinc/65/49/86/1072654986.db2.gz YSIQJHOQZZYZQG-UHFFFAOYSA-N 0 3 387.440 -0.857 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000658191514 1072660771 /nfs/dbraw/zinc/66/07/71/1072660771.db2.gz SEJRBACYCXHCGB-INIZCTEOSA-N 0 3 377.489 -0.942 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000658191515 1072660880 /nfs/dbraw/zinc/66/08/80/1072660880.db2.gz SEJRBACYCXHCGB-MRXNPFEDSA-N 0 3 377.489 -0.942 20 0 GBADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000658259852 1072663439 /nfs/dbraw/zinc/66/34/39/1072663439.db2.gz DTCJTKSCNWCUMX-AWEZNQCLSA-N 0 3 388.472 -0.055 20 0 GBADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000658259854 1072663331 /nfs/dbraw/zinc/66/33/31/1072663331.db2.gz DTCJTKSCNWCUMX-CQSZACIVSA-N 0 3 388.472 -0.055 20 0 GBADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000658260186 1072663564 /nfs/dbraw/zinc/66/35/64/1072663564.db2.gz GZGMMXUYVYUUSH-AWEZNQCLSA-N 0 3 389.456 -0.171 20 0 GBADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000658260188 1072663528 /nfs/dbraw/zinc/66/35/28/1072663528.db2.gz GZGMMXUYVYUUSH-CQSZACIVSA-N 0 3 389.456 -0.171 20 0 GBADHN CO[C@H](CS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCOC1 ZINC000658379747 530142904 /nfs/dbraw/zinc/14/29/04/530142904.db2.gz UXORYSJPDIUSGS-JHJVBQTASA-N 0 3 389.440 -0.207 20 0 GBADHN CO[C@H](CS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCOC1 ZINC000658379748 530142814 /nfs/dbraw/zinc/14/28/14/530142814.db2.gz UXORYSJPDIUSGS-UPJWGTAASA-N 0 3 389.440 -0.207 20 0 GBADHN CO[C@H](CS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCOC1 ZINC000658379749 530142460 /nfs/dbraw/zinc/14/24/60/530142460.db2.gz UXORYSJPDIUSGS-XQQFMLRXSA-N 0 3 389.440 -0.207 20 0 GBADHN CO[C@H](CS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCOC1 ZINC000658379750 530142517 /nfs/dbraw/zinc/14/25/17/530142517.db2.gz UXORYSJPDIUSGS-YNEHKIRRSA-N 0 3 389.440 -0.207 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000658379884 530143204 /nfs/dbraw/zinc/14/32/04/530143204.db2.gz XKGZNKSIZYGFMS-HNNXBMFYSA-N 0 3 388.515 -0.715 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000658379886 530143175 /nfs/dbraw/zinc/14/31/75/530143175.db2.gz XKGZNKSIZYGFMS-OAHLLOKOSA-N 0 3 388.515 -0.715 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000658383492 530149471 /nfs/dbraw/zinc/14/94/71/530149471.db2.gz ISOOLPBGAYFUNB-HNNXBMFYSA-N 0 3 388.515 -0.634 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000658383493 530149201 /nfs/dbraw/zinc/14/92/01/530149201.db2.gz ISOOLPBGAYFUNB-OAHLLOKOSA-N 0 3 388.515 -0.634 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000658391032 530148582 /nfs/dbraw/zinc/14/85/82/530148582.db2.gz MFHNTPYPTUONHU-HUUCEWRRSA-N 0 3 375.516 -0.009 20 0 GBADHN CC1(C)CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CCN1CCO ZINC000658393089 1072748642 /nfs/dbraw/zinc/74/86/42/1072748642.db2.gz OWNLYKHMGCGULM-UHFFFAOYSA-N 0 3 396.532 -0.528 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000658415038 1072673495 /nfs/dbraw/zinc/67/34/95/1072673495.db2.gz RTQAFAJCWSSYKF-IBGZPJMESA-N 0 3 395.456 -0.021 20 0 GBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000658415039 1072673548 /nfs/dbraw/zinc/67/35/48/1072673548.db2.gz RTQAFAJCWSSYKF-LJQANCHMSA-N 0 3 395.456 -0.021 20 0 GBADHN CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000658448358 1072689086 /nfs/dbraw/zinc/68/90/86/1072689086.db2.gz GAWQBSPLBKZZLB-UHFFFAOYSA-N 0 3 386.460 -0.968 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000658450002 1072690454 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1072699189 /nfs/dbraw/zinc/69/91/89/1072699189.db2.gz XAPGEJVIRIUQBS-NSHDSACASA-N 0 3 383.474 -0.573 20 0 GBADHN CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000658531196 1072697446 /nfs/dbraw/zinc/69/74/46/1072697446.db2.gz OBMSQGFUXOBTJE-INIZCTEOSA-N 0 3 380.489 -0.362 20 0 GBADHN CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000658531197 1072697475 /nfs/dbraw/zinc/69/74/75/1072697475.db2.gz OBMSQGFUXOBTJE-MRXNPFEDSA-N 0 3 380.489 -0.362 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(CC)C[C@@H]2CCOC2)CC1 ZINC000658531586 1072697299 /nfs/dbraw/zinc/69/72/99/1072697299.db2.gz VGUAEUBVCOLZKJ-INIZCTEOSA-N 0 3 382.505 -0.116 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(CC)C[C@H]2CCOC2)CC1 ZINC000658531587 1072697372 /nfs/dbraw/zinc/69/73/72/1072697372.db2.gz VGUAEUBVCOLZKJ-MRXNPFEDSA-N 0 3 382.505 -0.116 20 0 GBADHN C[C@@]1(C2CC2)CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000658534335 1072698221 /nfs/dbraw/zinc/69/82/21/1072698221.db2.gz AFIBDNBCAPVXEM-FQEVSTJZSA-N 0 3 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ZINC000658534835 1072702321 /nfs/dbraw/zinc/70/23/21/1072702321.db2.gz DJAPCHROLXJBIH-FQEVSTJZSA-N 0 3 394.516 -0.238 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)CC1 ZINC000658534837 1072702596 /nfs/dbraw/zinc/70/25/96/1072702596.db2.gz DJAPCHROLXJBIH-HXUWFJFHSA-N 0 3 394.516 -0.238 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000658534917 1072702974 /nfs/dbraw/zinc/70/29/74/1072702974.db2.gz GECHZNHDCAJINP-CVEARBPZSA-N 0 3 398.504 -0.833 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](OC)[C@H]2CCOC2)CC1 ZINC000658534918 1072702701 /nfs/dbraw/zinc/70/27/01/1072702701.db2.gz GECHZNHDCAJINP-HOTGVXAUSA-N 0 3 398.504 -0.833 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000658534919 1072702840 /nfs/dbraw/zinc/70/28/40/1072702840.db2.gz GECHZNHDCAJINP-HZPDHXFCSA-N 0 3 398.504 -0.833 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000658534920 1072702648 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/nfs/dbraw/zinc/85/77/55/1072857755.db2.gz QLHGPUCBKLUVRA-IAGOWNOFSA-N 0 3 394.516 -0.238 20 0 GBADHN C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000658822327 1072857878 /nfs/dbraw/zinc/85/78/78/1072857878.db2.gz QLHGPUCBKLUVRA-IRXDYDNUSA-N 0 3 394.516 -0.238 20 0 GBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000658822328 1072857540 /nfs/dbraw/zinc/85/75/40/1072857540.db2.gz QLHGPUCBKLUVRA-SJORKVTESA-N 0 3 394.516 -0.238 20 0 GBADHN CCN(C(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@H]1CCN(CC)C1 ZINC000658823198 1072858794 /nfs/dbraw/zinc/85/87/94/1072858794.db2.gz CHGYDTLGASOXDL-HNNXBMFYSA-N 0 3 388.534 -0.283 20 0 GBADHN CCN(C(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@@H]1CCN(CC)C1 ZINC000658823202 1072858711 /nfs/dbraw/zinc/85/87/11/1072858711.db2.gz CHGYDTLGASOXDL-OAHLLOKOSA-N 0 3 388.534 -0.283 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)[C@H]1CCN(CC)C1 ZINC000658823932 1072862815 /nfs/dbraw/zinc/86/28/15/1072862815.db2.gz GENQEHLLBUOSED-INIZCTEOSA-N 0 3 381.521 -0.448 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000658823938 1072862236 /nfs/dbraw/zinc/86/22/36/1072862236.db2.gz GENQEHLLBUOSED-MRXNPFEDSA-N 0 3 381.521 -0.448 20 0 GBADHN C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000658823974 1072863141 /nfs/dbraw/zinc/86/31/41/1072863141.db2.gz JMEBMTKQGBDDHK-BRWVUGGUSA-N 0 3 394.516 -0.239 20 0 GBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000658823976 1072862697 /nfs/dbraw/zinc/86/26/97/1072862697.db2.gz JMEBMTKQGBDDHK-IKGGRYGDSA-N 0 3 394.516 -0.239 20 0 GBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000658823978 1072862536 /nfs/dbraw/zinc/86/25/36/1072862536.db2.gz JMEBMTKQGBDDHK-IXDOHACOSA-N 0 3 394.516 -0.239 20 0 GBADHN C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000658823980 1072862979 /nfs/dbraw/zinc/86/29/79/1072862979.db2.gz JMEBMTKQGBDDHK-ZACQAIPSSA-N 0 3 394.516 -0.239 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CCOCCOC)CC1)[C@H]1CCN(CC)C1 ZINC000658824180 1072864117 /nfs/dbraw/zinc/86/41/17/1072864117.db2.gz YMLNZVZYDRTFEZ-KRWDZBQOSA-N 0 3 384.521 -0.264 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CCOCCOC)CC1)[C@@H]1CCN(CC)C1 ZINC000658824182 1072863878 /nfs/dbraw/zinc/86/38/78/1072863878.db2.gz YMLNZVZYDRTFEZ-QGZVFWFLSA-N 0 3 384.521 -0.264 20 0 GBADHN CCN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)[C@@H]1CCN(CC)C1 ZINC000658824307 1072860815 /nfs/dbraw/zinc/86/08/15/1072860815.db2.gz ZJCYOAZBECUPTL-BBWFWOEESA-N 0 3 377.489 -0.103 20 0 GBADHN CCN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)[C@H]1CCN(CC)C1 ZINC000658824318 1072862372 /nfs/dbraw/zinc/86/23/72/1072862372.db2.gz ZJCYOAZBECUPTL-ULQDDVLXSA-N 0 3 377.489 -0.103 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[C@H]1CCN(CC)C1 ZINC000658826033 1072867845 /nfs/dbraw/zinc/86/78/45/1072867845.db2.gz MRCGNARMABRLFZ-HNNXBMFYSA-N 0 3 390.488 -0.628 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[C@@H]1CCN(CC)C1 ZINC000658826034 1072867370 /nfs/dbraw/zinc/86/73/70/1072867370.db2.gz MRCGNARMABRLFZ-OAHLLOKOSA-N 0 3 390.488 -0.628 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[C@@H]1CCN(CC)C1 ZINC000658826037 1072866032 /nfs/dbraw/zinc/86/60/32/1072866032.db2.gz MUTBVMFDHWKPOT-GFCCVEGCSA-N 0 3 381.506 -0.288 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[C@H]1CCN(CC)C1 ZINC000658826038 1072866051 /nfs/dbraw/zinc/86/60/51/1072866051.db2.gz MUTBVMFDHWKPOT-LBPRGKRZSA-N 0 3 381.506 -0.288 20 0 GBADHN C[C@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000658826184 1072866581 /nfs/dbraw/zinc/86/65/81/1072866581.db2.gz DAWJULYCXHXDQS-INIZCTEOSA-N 0 3 392.500 -0.077 20 0 GBADHN C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000658826187 1072866476 /nfs/dbraw/zinc/86/64/76/1072866476.db2.gz DAWJULYCXHXDQS-MRXNPFEDSA-N 0 3 392.500 -0.077 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@H]1CCN(CC)C1 ZINC000658826748 1072865556 /nfs/dbraw/zinc/86/55/56/1072865556.db2.gz RWRXARQQSUPDCL-AWEZNQCLSA-N 0 3 376.461 -0.462 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@@H]1CCN(CC)C1 ZINC000658826750 1072865400 /nfs/dbraw/zinc/86/54/00/1072865400.db2.gz RWRXARQQSUPDCL-CQSZACIVSA-N 0 3 376.461 -0.462 20 0 GBADHN CCN(C(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[C@@H]1CCN(CC)C1 ZINC000658827784 1072869013 /nfs/dbraw/zinc/86/90/13/1072869013.db2.gz WRKZTBNYUCRSFQ-AUUYWEPGSA-N 0 3 393.488 -0.234 20 0 GBADHN CCN(C(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[C@H]1CCN(CC)C1 ZINC000658827786 1072868046 /nfs/dbraw/zinc/86/80/46/1072868046.db2.gz WRKZTBNYUCRSFQ-IFXJQAMLSA-N 0 3 393.488 -0.234 20 0 GBADHN CCN(C(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[C@@H]1CCN(CC)C1 ZINC000658827788 1072869056 /nfs/dbraw/zinc/86/90/56/1072869056.db2.gz WRKZTBNYUCRSFQ-KUHUBIRLSA-N 0 3 393.488 -0.234 20 0 GBADHN CCN(C(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[C@H]1CCN(CC)C1 ZINC000658827789 1072870157 /nfs/dbraw/zinc/87/01/57/1072870157.db2.gz WRKZTBNYUCRSFQ-LIRRHRJNSA-N 0 3 393.488 -0.234 20 0 GBADHN CCN(C(=O)C(=O)N1CCC(C(=O)NCCOC)CC1)[C@H]1CCN(CC)C1 ZINC000658828223 1072869277 /nfs/dbraw/zinc/86/92/77/1072869277.db2.gz BPDJOWDIDSEFBB-INIZCTEOSA-N 0 3 382.505 -0.070 20 0 GBADHN CCN(C(=O)C(=O)N1CCC(C(=O)NCCOC)CC1)[C@@H]1CCN(CC)C1 ZINC000658828224 1072869582 /nfs/dbraw/zinc/86/95/82/1072869582.db2.gz BPDJOWDIDSEFBB-MRXNPFEDSA-N 0 3 382.505 -0.070 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H]1CCN(CC)C1 ZINC000658828661 1072868407 /nfs/dbraw/zinc/86/84/07/1072868407.db2.gz FKKIXVUPXQLLDN-KRWDZBQOSA-N 0 3 393.532 -0.304 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@@H]1CCN(CC)C1 ZINC000658828662 1072868484 /nfs/dbraw/zinc/86/84/84/1072868484.db2.gz FKKIXVUPXQLLDN-QGZVFWFLSA-N 0 3 393.532 -0.304 20 0 GBADHN CCN(C(=O)C(=O)N1CCC(C(=O)NCCCO)CC1)[C@H]1CCN(CC)C1 ZINC000658828663 1072868727 /nfs/dbraw/zinc/86/87/27/1072868727.db2.gz FLINGJKIRWYSCV-INIZCTEOSA-N 0 3 382.505 -0.334 20 0 GBADHN CCN(C(=O)C(=O)N1CCC(C(=O)NCCCO)CC1)[C@@H]1CCN(CC)C1 ZINC000658828664 1072868848 /nfs/dbraw/zinc/86/88/48/1072868848.db2.gz FLINGJKIRWYSCV-MRXNPFEDSA-N 0 3 382.505 -0.334 20 0 GBADHN CCN(C(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[C@H]1CCN(CC)C1 ZINC000658829354 1072871563 /nfs/dbraw/zinc/87/15/63/1072871563.db2.gz KIFYJBYXAFTPHV-CABCVRRESA-N 0 3 388.534 -0.283 20 0 GBADHN CCN(C(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[C@H]1CCN(CC)C1 ZINC000658829357 1072871713 /nfs/dbraw/zinc/87/17/13/1072871713.db2.gz KIFYJBYXAFTPHV-GJZGRUSLSA-N 0 3 388.534 -0.283 20 0 GBADHN CCN(C(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[C@@H]1CCN(CC)C1 ZINC000658829364 1072872203 /nfs/dbraw/zinc/87/22/03/1072872203.db2.gz KIFYJBYXAFTPHV-HUUCEWRRSA-N 0 3 388.534 -0.283 20 0 GBADHN CCN(C(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[C@@H]1CCN(CC)C1 ZINC000658829366 1072871857 /nfs/dbraw/zinc/87/18/57/1072871857.db2.gz KIFYJBYXAFTPHV-LSDHHAIUSA-N 0 3 388.534 -0.283 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 ZINC000658830163 1072876515 /nfs/dbraw/zinc/87/65/15/1072876515.db2.gz QYYGPJFDBHEZKE-DLBZAZTESA-N 0 3 395.548 -0.012 20 0 GBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 ZINC000658830165 1072877207 /nfs/dbraw/zinc/87/72/07/1072877207.db2.gz QYYGPJFDBHEZKE-IAGOWNOFSA-N 0 3 395.548 -0.012 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000658830167 1072877429 /nfs/dbraw/zinc/87/74/29/1072877429.db2.gz QYYGPJFDBHEZKE-IRXDYDNUSA-N 0 3 395.548 -0.012 20 0 GBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000658830169 1072877289 /nfs/dbraw/zinc/87/72/89/1072877289.db2.gz QYYGPJFDBHEZKE-SJORKVTESA-N 0 3 395.548 -0.012 20 0 GBADHN C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000658830269 1072876661 /nfs/dbraw/zinc/87/66/61/1072876661.db2.gz NJLJIWMZVGJMCP-CVEARBPZSA-N 0 3 392.500 -0.079 20 0 GBADHN C[C@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000658830272 1072876075 /nfs/dbraw/zinc/87/60/75/1072876075.db2.gz NJLJIWMZVGJMCP-HOTGVXAUSA-N 0 3 392.500 -0.079 20 0 GBADHN C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000658830274 1072875539 /nfs/dbraw/zinc/87/55/39/1072875539.db2.gz NJLJIWMZVGJMCP-HZPDHXFCSA-N 0 3 392.500 -0.079 20 0 GBADHN C[C@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000658830276 1072875398 /nfs/dbraw/zinc/87/53/98/1072875398.db2.gz NJLJIWMZVGJMCP-JKSUJKDBSA-N 0 3 392.500 -0.079 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[C@H]1CCN(CC)C1 ZINC000658830436 1072874444 /nfs/dbraw/zinc/87/44/44/1072874444.db2.gz STHCDCCPFNQVNU-INIZCTEOSA-N 0 3 379.505 -0.648 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[C@@H]1CCN(CC)C1 ZINC000658830437 1072874263 /nfs/dbraw/zinc/87/42/63/1072874263.db2.gz STHCDCCPFNQVNU-MRXNPFEDSA-N 0 3 379.505 -0.648 20 0 GBADHN CCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCN(CC)C1 ZINC000658830925 1072879458 /nfs/dbraw/zinc/87/94/58/1072879458.db2.gz VNPHFUUBZFGEMA-DOTOQJQBSA-N 0 3 393.532 -0.260 20 0 GBADHN CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCN(CC)C1 ZINC000658830930 1072879094 /nfs/dbraw/zinc/87/90/94/1072879094.db2.gz VNPHFUUBZFGEMA-NVXWUHKLSA-N 0 3 393.532 -0.260 20 0 GBADHN CCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CCN(CC)C1 ZINC000658830935 1072879530 /nfs/dbraw/zinc/87/95/30/1072879530.db2.gz VNPHFUUBZFGEMA-RDJZCZTQSA-N 0 3 393.532 -0.260 20 0 GBADHN CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@H]1CCN(CC)C1 ZINC000658830942 1072878924 /nfs/dbraw/zinc/87/89/24/1072878924.db2.gz VNPHFUUBZFGEMA-WBVHZDCISA-N 0 3 393.532 -0.260 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1)[C@H]1CCN(CC)C1 ZINC000658831262 1072879385 /nfs/dbraw/zinc/87/93/85/1072879385.db2.gz WNORWAGGDQLLHL-INIZCTEOSA-N 0 3 381.521 -0.402 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000658831266 1072878769 /nfs/dbraw/zinc/87/87/69/1072878769.db2.gz WNORWAGGDQLLHL-MRXNPFEDSA-N 0 3 381.521 -0.402 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCN(CC)C1 ZINC000658831941 1072880706 /nfs/dbraw/zinc/88/07/06/1072880706.db2.gz YIWZKMGRORDHPF-CVEARBPZSA-N 0 3 380.489 -0.221 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCN(CC)C1 ZINC000658831943 1072881344 /nfs/dbraw/zinc/88/13/44/1072881344.db2.gz YIWZKMGRORDHPF-HOTGVXAUSA-N 0 3 380.489 -0.221 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCN(CC)C1 ZINC000658831944 1072880963 /nfs/dbraw/zinc/88/09/63/1072880963.db2.gz YIWZKMGRORDHPF-HZPDHXFCSA-N 0 3 380.489 -0.221 20 0 GBADHN CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCN(CC)C1 ZINC000658831945 1072881369 /nfs/dbraw/zinc/88/13/69/1072881369.db2.gz YIWZKMGRORDHPF-JKSUJKDBSA-N 0 3 380.489 -0.221 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000658831946 1072880731 /nfs/dbraw/zinc/88/07/31/1072880731.db2.gz YKAFXMQQXWPERE-KRWDZBQOSA-N 0 3 395.548 -0.058 20 0 GBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1CCO ZINC000658833946 1072885942 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[NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000659438576 1073049476 /nfs/dbraw/zinc/04/94/76/1073049476.db2.gz CEATYNIFJCICEZ-UHFFFAOYSA-N 0 3 376.421 -0.775 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)n1 ZINC000659438587 1073050132 /nfs/dbraw/zinc/05/01/32/1073050132.db2.gz CPACFXUUPDWUSL-UHFFFAOYSA-N 0 3 394.457 -0.440 20 0 GBADHN CN(C)S(=O)(=O)c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659438618 1073049640 /nfs/dbraw/zinc/04/96/40/1073049640.db2.gz DPVXVYYONVYDNX-UHFFFAOYSA-N 0 3 394.457 -0.109 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 ZINC000659441114 1073049497 /nfs/dbraw/zinc/04/94/97/1073049497.db2.gz ASYKGXZNHPDNBQ-INIZCTEOSA-N 0 3 382.490 -0.352 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC000659441116 1073049351 /nfs/dbraw/zinc/04/93/51/1073049351.db2.gz ASYKGXZNHPDNBQ-MRXNPFEDSA-N 0 3 382.490 -0.352 20 0 GBADHN Cc1noc([C@H](C)N2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)n1 ZINC000659446568 1073049243 /nfs/dbraw/zinc/04/92/43/1073049243.db2.gz PTUFGBLQBKQOGZ-AEGPPILISA-N 0 3 376.461 -0.254 20 0 GBADHN Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)n1 ZINC000659446569 1073049933 /nfs/dbraw/zinc/04/99/33/1073049933.db2.gz PTUFGBLQBKQOGZ-VHDGCEQUSA-N 0 3 376.461 -0.254 20 0 GBADHN N[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1F ZINC000659447606 1073050006 /nfs/dbraw/zinc/05/00/06/1073050006.db2.gz GACSSLXKSGKPGG-ZIAGYGMSSA-N 0 3 379.440 -0.404 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNC(=O)Cc2cccc(F)c2)n1 ZINC000659447849 1073049755 /nfs/dbraw/zinc/04/97/55/1073049755.db2.gz YOMUWMZDLBFUCC-UHFFFAOYSA-N 0 3 376.392 -0.062 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000659447877 1073049849 /nfs/dbraw/zinc/04/98/49/1073049849.db2.gz ZVNKGXJCEOKKRJ-UHFFFAOYSA-N 0 3 399.455 -0.211 20 0 GBADHN CS(=O)(=O)c1ccc(OCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659450553 1073050907 /nfs/dbraw/zinc/05/09/07/1073050907.db2.gz PPHQSTCQHKOSFZ-UHFFFAOYSA-N 0 3 395.441 -0.077 20 0 GBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659455338 1073050033 /nfs/dbraw/zinc/05/00/33/1073050033.db2.gz WSIKTKNQSQDBFA-ZIAGYGMSSA-N 0 3 388.465 -0.120 20 0 GBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)cn1 ZINC000659460070 1073050700 /nfs/dbraw/zinc/05/07/00/1073050700.db2.gz PJKZDFPESWRBQX-ZIAGYGMSSA-N 0 3 388.469 -0.346 20 0 GBADHN CCNS(=O)(=O)c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659470473 1073050578 /nfs/dbraw/zinc/05/05/78/1073050578.db2.gz CCVHMGNQYCYWHJ-UHFFFAOYSA-N 0 3 394.457 -0.062 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000659470971 1073050866 /nfs/dbraw/zinc/05/08/66/1073050866.db2.gz MWTJCLZMSQDLGW-SECBINFHSA-N 0 3 376.339 -0.007 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000659470972 1073050890 /nfs/dbraw/zinc/05/08/90/1073050890.db2.gz MWTJCLZMSQDLGW-VIFPVBQESA-N 0 3 376.339 -0.007 20 0 GBADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659479151 1073051832 /nfs/dbraw/zinc/05/18/32/1073051832.db2.gz HSSYSIIERYPAFH-UHFFFAOYSA-N 0 3 394.457 -0.109 20 0 GBADHN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CCO2)n1 ZINC000659487672 1073051219 /nfs/dbraw/zinc/05/12/19/1073051219.db2.gz XXYZZARDSAMWAN-IKGGRYGDSA-N 0 3 375.473 -0.110 20 0 GBADHN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CCO2)n1 ZINC000659487673 1073051515 /nfs/dbraw/zinc/05/15/15/1073051515.db2.gz XXYZZARDSAMWAN-ZACQAIPSSA-N 0 3 375.473 -0.110 20 0 GBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)CCN1C ZINC000659488936 1073052713 /nfs/dbraw/zinc/05/27/13/1073052713.db2.gz XALQGJRXXOALSZ-MSOLQXFVSA-N 0 3 395.548 -0.740 20 0 GBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)CCN1C ZINC000659488937 1073053084 /nfs/dbraw/zinc/05/30/84/1073053084.db2.gz XALQGJRXXOALSZ-QZTJIDSGSA-N 0 3 395.548 -0.740 20 0 GBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)CCN1C ZINC000659488938 1073052765 /nfs/dbraw/zinc/05/27/65/1073052765.db2.gz XALQGJRXXOALSZ-ROUUACIJSA-N 0 3 395.548 -0.740 20 0 GBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)CCN1C ZINC000659488939 1073052483 /nfs/dbraw/zinc/05/24/83/1073052483.db2.gz XALQGJRXXOALSZ-ZWKOTPCHSA-N 0 3 395.548 -0.740 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC000659493681 1073052671 /nfs/dbraw/zinc/05/26/71/1073052671.db2.gz AXHWGVXUIRSTRL-JTQLQIEISA-N 0 3 378.355 -0.297 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC000659493685 1073053234 /nfs/dbraw/zinc/05/32/34/1073053234.db2.gz AXHWGVXUIRSTRL-SNVBAGLBSA-N 0 3 378.355 -0.297 20 0 GBADHN CCNS(=O)(=O)c1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659503330 1073053052 /nfs/dbraw/zinc/05/30/52/1073053052.db2.gz KECCTXNCUYZNQK-UHFFFAOYSA-N 0 3 394.457 -0.062 20 0 GBADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC(=O)N2CCNCC2)C1 ZINC000659506408 1073053483 /nfs/dbraw/zinc/05/34/83/1073053483.db2.gz ABSOCXJRAIVHED-GOSISDBHSA-N 0 3 388.516 -0.466 20 0 GBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC(=O)N2CCNCC2)C1 ZINC000659506409 1073054199 /nfs/dbraw/zinc/05/41/99/1073054199.db2.gz ABSOCXJRAIVHED-SFHVURJKSA-N 0 3 388.516 -0.466 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000659521793 1073054334 /nfs/dbraw/zinc/05/43/34/1073054334.db2.gz VHTGEJMFJFRYKU-DLBZAZTESA-N 0 3 391.516 -0.552 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000659521794 1073053875 /nfs/dbraw/zinc/05/38/75/1073053875.db2.gz VHTGEJMFJFRYKU-IAGOWNOFSA-N 0 3 391.516 -0.552 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000659521796 1073054213 /nfs/dbraw/zinc/05/42/13/1073054213.db2.gz VHTGEJMFJFRYKU-IRXDYDNUSA-N 0 3 391.516 -0.552 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000659521797 1073054057 /nfs/dbraw/zinc/05/40/57/1073054057.db2.gz VHTGEJMFJFRYKU-SJORKVTESA-N 0 3 391.516 -0.552 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 ZINC000659556403 1073057333 /nfs/dbraw/zinc/05/73/33/1073057333.db2.gz SGPCFPCGIGTQEI-LLVKDONJSA-N 0 3 393.425 -0.325 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)n1 ZINC000659556405 1073056933 /nfs/dbraw/zinc/05/69/33/1073056933.db2.gz SGPCFPCGIGTQEI-NSHDSACASA-N 0 3 393.425 -0.325 20 0 GBADHN O=C(NCCNC(=O)c1ccc(Br)cn1)NC[C@H]1CNCCO1 ZINC000659557395 530149852 /nfs/dbraw/zinc/14/98/52/530149852.db2.gz RQGRTYDGHRIOEU-LLVKDONJSA-N 0 3 386.250 -0.139 20 0 GBADHN O=C(NCCNC(=O)c1ccc(Br)cn1)NC[C@@H]1CNCCO1 ZINC000659557396 530150253 /nfs/dbraw/zinc/15/02/53/530150253.db2.gz RQGRTYDGHRIOEU-NSHDSACASA-N 0 3 386.250 -0.139 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000659608552 1073059703 /nfs/dbraw/zinc/05/97/03/1073059703.db2.gz POUDYHKPCIISKT-DLBZAZTESA-N 0 3 379.505 -0.155 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000659608553 1073059782 /nfs/dbraw/zinc/05/97/82/1073059782.db2.gz POUDYHKPCIISKT-IAGOWNOFSA-N 0 3 379.505 -0.155 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000659608554 1073059495 /nfs/dbraw/zinc/05/94/95/1073059495.db2.gz POUDYHKPCIISKT-IRXDYDNUSA-N 0 3 379.505 -0.155 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000659608555 1073059371 /nfs/dbraw/zinc/05/93/71/1073059371.db2.gz POUDYHKPCIISKT-SJORKVTESA-N 0 3 379.505 -0.155 20 0 GBADHN CCOc1ccc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)nn1 ZINC000659628376 1073060592 /nfs/dbraw/zinc/06/05/92/1073060592.db2.gz BICNTCWIYHBBKH-UHFFFAOYSA-N 0 3 388.432 -0.139 20 0 GBADHN CC(C)CN1C[C@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCN2C1=O ZINC000659630030 1073061443 /nfs/dbraw/zinc/06/14/43/1073061443.db2.gz LWPMQOBAUWQGTK-CYBMUJFWSA-N 0 3 377.449 -0.072 20 0 GBADHN CC(C)CN1C[C@@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCN2C1=O ZINC000659630031 1073061392 /nfs/dbraw/zinc/06/13/92/1073061392.db2.gz LWPMQOBAUWQGTK-ZDUSSCGKSA-N 0 3 377.449 -0.072 20 0 GBADHN C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1c1nccn2cnnc12 ZINC000659630185 1073061364 /nfs/dbraw/zinc/06/13/64/1073061364.db2.gz GBIYNMPYOOMBNF-LLVKDONJSA-N 0 3 398.431 -0.501 20 0 GBADHN C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1c1nccn2cnnc12 ZINC000659630186 1073061535 /nfs/dbraw/zinc/06/15/35/1073061535.db2.gz GBIYNMPYOOMBNF-NSHDSACASA-N 0 3 398.431 -0.501 20 0 GBADHN COc1ccccc1CCNC(=O)CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630923 1073061011 /nfs/dbraw/zinc/06/10/11/1073061011.db2.gz WYUYFADEPZAPJK-UHFFFAOYSA-N 0 3 388.428 -0.192 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)cc1 ZINC000659631148 1073061607 /nfs/dbraw/zinc/06/16/07/1073061607.db2.gz ACWQDQYIUWJPMU-UHFFFAOYSA-N 0 3 385.428 -0.228 20 0 GBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631211 1073061412 /nfs/dbraw/zinc/06/14/12/1073061412.db2.gz BSDFXYCSUQFPQZ-LLVKDONJSA-N 0 3 377.449 -0.865 20 0 GBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631212 1073061434 /nfs/dbraw/zinc/06/14/34/1073061434.db2.gz BSDFXYCSUQFPQZ-NSHDSACASA-N 0 3 377.449 -0.865 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000659631277 1073060974 /nfs/dbraw/zinc/06/09/74/1073060974.db2.gz UBEQLEIHHXROAK-UHFFFAOYSA-N 0 3 384.462 -0.603 20 0 GBADHN NC(=O)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccc(F)cc1 ZINC000659631398 1073061255 /nfs/dbraw/zinc/06/12/55/1073061255.db2.gz DQZXYNYRAFPHIX-LLVKDONJSA-N 0 3 376.392 -0.077 20 0 GBADHN NC(=O)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccc(F)cc1 ZINC000659631399 1073061419 /nfs/dbraw/zinc/06/14/19/1073061419.db2.gz DQZXYNYRAFPHIX-NSHDSACASA-N 0 3 376.392 -0.077 20 0 GBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631466 1073061236 /nfs/dbraw/zinc/06/12/36/1073061236.db2.gz FLSPCLFWJPELLE-CYBMUJFWSA-N 0 3 391.476 -0.521 20 0 GBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631471 1073061647 /nfs/dbraw/zinc/06/16/47/1073061647.db2.gz FLSPCLFWJPELLE-ZDUSSCGKSA-N 0 3 391.476 -0.521 20 0 GBADHN CCN(CC)C(=O)CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631831 1073060996 /nfs/dbraw/zinc/06/09/96/1073060996.db2.gz HTXXCGCKJIMGAO-UHFFFAOYSA-N 0 3 379.465 -0.664 20 0 GBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632573 1073061674 /nfs/dbraw/zinc/06/16/74/1073061674.db2.gz BKSUBMSBTRNZAK-GFCCVEGCSA-N 0 3 379.465 -0.617 20 0 GBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632574 1073060960 /nfs/dbraw/zinc/06/09/60/1073060960.db2.gz BKSUBMSBTRNZAK-LBPRGKRZSA-N 0 3 379.465 -0.617 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000659632843 1073061278 /nfs/dbraw/zinc/06/12/78/1073061278.db2.gz JFARZWVYZQGEKZ-UHFFFAOYSA-N 0 3 377.449 -0.910 20 0 GBADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659632869 1073061401 /nfs/dbraw/zinc/06/14/01/1073061401.db2.gz JSXFTUQQWZBPPP-NEPJUHHUSA-N 0 3 380.449 -0.286 20 0 GBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659632870 1073061426 /nfs/dbraw/zinc/06/14/26/1073061426.db2.gz JSXFTUQQWZBPPP-NWDGAFQWSA-N 0 3 380.449 -0.286 20 0 GBADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659632871 1073061473 /nfs/dbraw/zinc/06/14/73/1073061473.db2.gz JSXFTUQQWZBPPP-RYUDHWBXSA-N 0 3 380.449 -0.286 20 0 GBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659632872 1073061325 /nfs/dbraw/zinc/06/13/25/1073061325.db2.gz JSXFTUQQWZBPPP-VXGBXAGGSA-N 0 3 380.449 -0.286 20 0 GBADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659633140 1073061463 /nfs/dbraw/zinc/06/14/63/1073061463.db2.gz QBPGFIOGCUWJTB-GFCCVEGCSA-N 0 3 386.478 -0.356 20 0 GBADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659633142 1073061049 /nfs/dbraw/zinc/06/10/49/1073061049.db2.gz QBPGFIOGCUWJTB-LBPRGKRZSA-N 0 3 386.478 -0.356 20 0 GBADHN CCN(CC)C(=O)CN1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659633320 1073061719 /nfs/dbraw/zinc/06/17/19/1073061719.db2.gz RRDNWQCIVQFEES-UHFFFAOYSA-N 0 3 393.492 -0.273 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000659633419 1073061348 /nfs/dbraw/zinc/06/13/48/1073061348.db2.gz UKSIIIZJJQLYOK-LLVKDONJSA-N 0 3 391.384 -0.391 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000659633424 1073061556 /nfs/dbraw/zinc/06/15/56/1073061556.db2.gz UKSIIIZJJQLYOK-NSHDSACASA-N 0 3 391.384 -0.391 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000659633800 1073062153 /nfs/dbraw/zinc/06/21/53/1073062153.db2.gz YSVMUMQVBXPXAD-UHFFFAOYSA-N 0 3 391.476 -0.519 20 0 GBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000659644474 1073062483 /nfs/dbraw/zinc/06/24/83/1073062483.db2.gz MPMBFHVWOCIULT-CVEARBPZSA-N 0 3 394.497 -0.391 20 0 GBADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000659644475 1073062448 /nfs/dbraw/zinc/06/24/48/1073062448.db2.gz MPMBFHVWOCIULT-HOTGVXAUSA-N 0 3 394.497 -0.391 20 0 GBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000659644476 1073062818 /nfs/dbraw/zinc/06/28/18/1073062818.db2.gz MPMBFHVWOCIULT-HZPDHXFCSA-N 0 3 394.497 -0.391 20 0 GBADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000659644477 1073062390 /nfs/dbraw/zinc/06/23/90/1073062390.db2.gz MPMBFHVWOCIULT-JKSUJKDBSA-N 0 3 394.497 -0.391 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659652715 1073065327 /nfs/dbraw/zinc/06/53/27/1073065327.db2.gz QNJDHVWEUYVXDP-CYBMUJFWSA-N 0 3 375.429 -0.524 20 0 GBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000659652717 1073065128 /nfs/dbraw/zinc/06/51/28/1073065128.db2.gz QNJDHVWEUYVXDP-ZDUSSCGKSA-N 0 3 375.429 -0.524 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000659673436 1073070764 /nfs/dbraw/zinc/07/07/64/1073070764.db2.gz JJKSRWSXXQAUMF-CYBMUJFWSA-N 0 3 388.428 -0.197 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000659673437 1073070485 /nfs/dbraw/zinc/07/04/85/1073070485.db2.gz JJKSRWSXXQAUMF-ZDUSSCGKSA-N 0 3 388.428 -0.197 20 0 GBADHN C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659675247 1073072229 /nfs/dbraw/zinc/07/22/29/1073072229.db2.gz MPMRRZUUZSZKEK-JTQLQIEISA-N 0 3 377.376 -0.020 20 0 GBADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659675248 1073072548 /nfs/dbraw/zinc/07/25/48/1073072548.db2.gz MPMRRZUUZSZKEK-SNVBAGLBSA-N 0 3 377.376 -0.020 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000659675268 1073072691 /nfs/dbraw/zinc/07/26/91/1073072691.db2.gz NAVOXPGKZBEKNP-CYBMUJFWSA-N 0 3 384.396 -0.821 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 ZINC000659675270 1073072257 /nfs/dbraw/zinc/07/22/57/1073072257.db2.gz NAVOXPGKZBEKNP-ZDUSSCGKSA-N 0 3 384.396 -0.821 20 0 GBADHN CCOc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1OC ZINC000659677360 1073074082 /nfs/dbraw/zinc/07/40/82/1073074082.db2.gz OQVFNCNDRYODHA-UHFFFAOYSA-N 0 3 389.412 -0.019 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCN2CCc3sccc3C2)n1 ZINC000659679326 1073071334 /nfs/dbraw/zinc/07/13/34/1073071334.db2.gz UQKUOTSGZLVUJH-UHFFFAOYSA-N 0 3 390.469 -0.507 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OC)c1 ZINC000659680962 1073073148 /nfs/dbraw/zinc/07/31/48/1073073148.db2.gz NNXNSASBVQOJIN-UHFFFAOYSA-N 0 3 389.412 -0.367 20 0 GBADHN COc1ccc(OCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659681140 1073072892 /nfs/dbraw/zinc/07/28/92/1073072892.db2.gz PIRYVWLQYRFKRM-UHFFFAOYSA-N 0 3 389.412 -0.149 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCn2cnc3ccccc32)n1 ZINC000659681154 1073072797 /nfs/dbraw/zinc/07/27/97/1073072797.db2.gz XTFAUTOLFVWACP-UHFFFAOYSA-N 0 3 383.412 -0.187 20 0 GBADHN COc1ccc(OCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659681613 1073072071 /nfs/dbraw/zinc/07/20/71/1073072071.db2.gz XRGUUBOXGZIAFZ-UHFFFAOYSA-N 0 3 375.385 -0.539 20 0 GBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659681760 1073076333 /nfs/dbraw/zinc/07/63/33/1073076333.db2.gz OALRRYBFUVUPPW-UHFFFAOYSA-N 0 3 383.412 -0.268 20 0 GBADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)O1 ZINC000659682725 1073076086 /nfs/dbraw/zinc/07/60/86/1073076086.db2.gz GZSCDLMNNBQYRS-RYUDHWBXSA-N 0 3 394.476 -0.739 20 0 GBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)O1 ZINC000659682726 1073076130 /nfs/dbraw/zinc/07/61/30/1073076130.db2.gz GZSCDLMNNBQYRS-TXEJJXNPSA-N 0 3 394.476 -0.739 20 0 GBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H](C)O1 ZINC000659682727 1073075995 /nfs/dbraw/zinc/07/59/95/1073075995.db2.gz GZSCDLMNNBQYRS-VXGBXAGGSA-N 0 3 394.476 -0.739 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000659682985 1073073711 /nfs/dbraw/zinc/07/37/11/1073073711.db2.gz QWSCEDYVZHVBOE-KBPBESRZSA-N 0 3 392.460 -0.983 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000659682986 1073073850 /nfs/dbraw/zinc/07/38/50/1073073850.db2.gz QWSCEDYVZHVBOE-KGLIPLIRSA-N 0 3 392.460 -0.983 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000659682987 1073073800 /nfs/dbraw/zinc/07/38/00/1073073800.db2.gz QWSCEDYVZHVBOE-UONOGXRCSA-N 0 3 392.460 -0.983 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000659682988 1073073926 /nfs/dbraw/zinc/07/39/26/1073073926.db2.gz QWSCEDYVZHVBOE-ZIAGYGMSSA-N 0 3 392.460 -0.983 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000659683631 1073073993 /nfs/dbraw/zinc/07/39/93/1073073993.db2.gz YRJRVSXIFHFJNH-GFCCVEGCSA-N 0 3 388.403 -0.209 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000659683632 1073073770 /nfs/dbraw/zinc/07/37/70/1073073770.db2.gz YRJRVSXIFHFJNH-LBPRGKRZSA-N 0 3 388.403 -0.209 20 0 GBADHN COc1ccc(OC)c(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659685548 1073074256 /nfs/dbraw/zinc/07/42/56/1073074256.db2.gz RWLAVRMPDTWISZ-UHFFFAOYSA-N 0 3 389.412 -0.367 20 0 GBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)cn2)CC1 ZINC000659685637 1073074889 /nfs/dbraw/zinc/07/48/89/1073074889.db2.gz UPSFZGMNSBOCSE-HUUCEWRRSA-N 0 3 378.452 -0.653 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000659687052 1073075337 /nfs/dbraw/zinc/07/53/37/1073075337.db2.gz POGCJDJBOGQYME-AWEZNQCLSA-N 0 3 398.423 -0.431 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000659687053 1073075319 /nfs/dbraw/zinc/07/53/19/1073075319.db2.gz POGCJDJBOGQYME-CQSZACIVSA-N 0 3 398.423 -0.431 20 0 GBADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659687494 1073074921 /nfs/dbraw/zinc/07/49/21/1073074921.db2.gz JRHVTYCVPFEKCO-HUUCEWRRSA-N 0 3 399.511 -0.373 20 0 GBADHN N[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC[C@H]1F ZINC000659688031 1073075460 /nfs/dbraw/zinc/07/54/60/1073075460.db2.gz TUIBMZFBWAVEFB-HUUCEWRRSA-N 0 3 393.467 -0.997 20 0 GBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659688709 1073075490 /nfs/dbraw/zinc/07/54/90/1073075490.db2.gz HOPBBGRPQRDMAI-HUUCEWRRSA-N 0 3 378.452 -0.653 20 0 GBADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)o1 ZINC000659689146 1073075776 /nfs/dbraw/zinc/07/57/76/1073075776.db2.gz UILLEJHHPFNNBG-GFCCVEGCSA-N 0 3 377.401 -0.084 20 0 GBADHN CCc1ccc([C@H](COC)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)o1 ZINC000659689147 1073075363 /nfs/dbraw/zinc/07/53/63/1073075363.db2.gz UILLEJHHPFNNBG-LBPRGKRZSA-N 0 3 377.401 -0.084 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc(OCC3CC3)nc2)n1 ZINC000659689198 1073075141 /nfs/dbraw/zinc/07/51/41/1073075141.db2.gz WNWCDCONOAZSAU-UHFFFAOYSA-N 0 3 386.412 -0.243 20 0 GBADHN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cn1 ZINC000659689628 1073075568 /nfs/dbraw/zinc/07/55/68/1073075568.db2.gz GOHAFYLOEPZFCI-UHFFFAOYSA-N 0 3 387.444 -0.185 20 0 GBADHN CN1CCN(c2cc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)ccn2)CC1 ZINC000659689640 1073076721 /nfs/dbraw/zinc/07/67/21/1073076721.db2.gz GVQOOWOKUZFQAG-HUUCEWRRSA-N 0 3 378.452 -0.653 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCOc2ccc(F)cc2)n1 ZINC000659689827 1073074714 /nfs/dbraw/zinc/07/47/14/1073074714.db2.gz AQATVWGFMRSFFZ-UHFFFAOYSA-N 0 3 377.376 -0.019 20 0 GBADHN C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659689853 1073075520 /nfs/dbraw/zinc/07/55/20/1073075520.db2.gz BLJVOGJZXPAPJK-GFCCVEGCSA-N 0 3 384.440 -0.176 20 0 GBADHN C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659689854 1073075613 /nfs/dbraw/zinc/07/56/13/1073075613.db2.gz BLJVOGJZXPAPJK-LBPRGKRZSA-N 0 3 384.440 -0.176 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCc2ccccc2C1 ZINC000659690462 1073076638 /nfs/dbraw/zinc/07/66/38/1073076638.db2.gz IFIRNWWUFCDJLE-CYBMUJFWSA-N 0 3 398.467 -0.180 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCc2ccccc2C1 ZINC000659690463 1073076758 /nfs/dbraw/zinc/07/67/58/1073076758.db2.gz IFIRNWWUFCDJLE-ZDUSSCGKSA-N 0 3 398.467 -0.180 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCc2ccccc21 ZINC000659690517 1073076033 /nfs/dbraw/zinc/07/60/33/1073076033.db2.gz JNMUKKYAVDDJSC-GFCCVEGCSA-N 0 3 384.440 -0.176 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCc2ccccc21 ZINC000659690520 1073076501 /nfs/dbraw/zinc/07/65/01/1073076501.db2.gz JNMUKKYAVDDJSC-LBPRGKRZSA-N 0 3 384.440 -0.176 20 0 GBADHN COc1ccc(COCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659694245 1073077121 /nfs/dbraw/zinc/07/71/21/1073077121.db2.gz SFWXMDRAKSIELD-UHFFFAOYSA-N 0 3 389.412 -0.401 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCN2CCc3ccccc3C2)n1 ZINC000659695142 1073077717 /nfs/dbraw/zinc/07/77/17/1073077717.db2.gz SBTIKSFRXOJTBC-UHFFFAOYSA-N 0 3 384.440 -0.568 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2nc3c(s2)CCCC3)n1 ZINC000659696290 1073078428 /nfs/dbraw/zinc/07/84/28/1073078428.db2.gz LQYLHIQQONBROW-UHFFFAOYSA-N 0 3 390.469 -0.049 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000659697825 1073076806 /nfs/dbraw/zinc/07/68/06/1073076806.db2.gz FQNXAFNWMUXRKT-DFBGVHRSSA-N 0 3 375.429 -0.279 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000659697826 1073076564 /nfs/dbraw/zinc/07/65/64/1073076564.db2.gz FQNXAFNWMUXRKT-GLQYFDAESA-N 0 3 375.429 -0.279 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000659697827 1073076778 /nfs/dbraw/zinc/07/67/78/1073076778.db2.gz FQNXAFNWMUXRKT-KCPJHIHWSA-N 0 3 375.429 -0.279 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000659697828 1073076169 /nfs/dbraw/zinc/07/61/69/1073076169.db2.gz FQNXAFNWMUXRKT-NILFDRSVSA-N 0 3 375.429 -0.279 20 0 GBADHN CN1CCN(C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)c2ccccc2)CC1 ZINC000659698502 1073076537 /nfs/dbraw/zinc/07/65/37/1073076537.db2.gz OUHNELUEUPLFTO-KURKYZTESA-N 0 3 391.491 -0.011 20 0 GBADHN CN1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)c2ccccc2)CC1 ZINC000659698503 1073076454 /nfs/dbraw/zinc/07/64/54/1073076454.db2.gz OUHNELUEUPLFTO-KZNAEPCWSA-N 0 3 391.491 -0.011 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCN2CCc3ccccc32)n1 ZINC000659698829 1073079352 /nfs/dbraw/zinc/07/93/52/1073079352.db2.gz PXDBSQLURYEFFS-UHFFFAOYSA-N 0 3 384.440 -0.174 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(N)c1 ZINC000659699150 1073078922 /nfs/dbraw/zinc/07/89/22/1073078922.db2.gz LUONJYWIRPKAMM-INIZCTEOSA-N 0 3 375.473 -0.056 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(N)c1 ZINC000659699152 1073078862 /nfs/dbraw/zinc/07/88/62/1073078862.db2.gz LUONJYWIRPKAMM-MRXNPFEDSA-N 0 3 375.473 -0.056 20 0 GBADHN CN(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccsc1 ZINC000659699284 1073079377 /nfs/dbraw/zinc/07/93/77/1073079377.db2.gz VJVUTFXWWUAWJQ-GFCCVEGCSA-N 0 3 378.458 -0.262 20 0 GBADHN CN(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccsc1 ZINC000659699285 1073078938 /nfs/dbraw/zinc/07/89/38/1073078938.db2.gz VJVUTFXWWUAWJQ-LBPRGKRZSA-N 0 3 378.458 -0.262 20 0 GBADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659701056 1073079203 /nfs/dbraw/zinc/07/92/03/1073079203.db2.gz CPJUHPUEPBDTNS-LLVKDONJSA-N 0 3 389.412 -0.151 20 0 GBADHN COc1ccc(O[C@@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659701058 1073079020 /nfs/dbraw/zinc/07/90/20/1073079020.db2.gz CPJUHPUEPBDTNS-NSHDSACASA-N 0 3 389.412 -0.151 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1cccc(F)c1 ZINC000659701445 1073079283 /nfs/dbraw/zinc/07/92/83/1073079283.db2.gz DZOJDWZOGBHKAM-JTQLQIEISA-N 0 3 377.376 -0.020 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1cccc(F)c1 ZINC000659701446 1073078810 /nfs/dbraw/zinc/07/88/10/1073078810.db2.gz DZOJDWZOGBHKAM-SNVBAGLBSA-N 0 3 377.376 -0.020 20 0 GBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659702167 1073079423 /nfs/dbraw/zinc/07/94/23/1073079423.db2.gz OMWKEPUYJOXOQZ-LLVKDONJSA-N 0 3 389.412 -0.151 20 0 GBADHN COc1ccccc1O[C@@H](C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659702168 1073079450 /nfs/dbraw/zinc/07/94/50/1073079450.db2.gz OMWKEPUYJOXOQZ-NSHDSACASA-N 0 3 389.412 -0.151 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccc(F)cc1 ZINC000659702171 1073079008 /nfs/dbraw/zinc/07/90/08/1073079008.db2.gz LMCIWFFJTSXHJR-JTQLQIEISA-N 0 3 377.376 -0.020 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccc(F)cc1 ZINC000659702174 1073079225 /nfs/dbraw/zinc/07/92/25/1073079225.db2.gz LMCIWFFJTSXHJR-SNVBAGLBSA-N 0 3 377.376 -0.020 20 0 GBADHN COc1ccccc1OCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659702434 1073079316 /nfs/dbraw/zinc/07/93/16/1073079316.db2.gz SDKKEMQCBILNSJ-UHFFFAOYSA-N 0 3 375.385 -0.539 20 0 GBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccccc1F ZINC000659703230 1073079839 /nfs/dbraw/zinc/07/98/39/1073079839.db2.gz XVEFOQMPSMVFLQ-JTQLQIEISA-N 0 3 377.376 -0.020 20 0 GBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccccc1F ZINC000659703231 1073080275 /nfs/dbraw/zinc/08/02/75/1073080275.db2.gz XVEFOQMPSMVFLQ-SNVBAGLBSA-N 0 3 377.376 -0.020 20 0 GBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659703368 1073080226 /nfs/dbraw/zinc/08/02/26/1073080226.db2.gz ZZRJIHDJOFXXLW-LLVKDONJSA-N 0 3 389.412 -0.151 20 0 GBADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659703369 1073080200 /nfs/dbraw/zinc/08/02/00/1073080200.db2.gz ZZRJIHDJOFXXLW-NSHDSACASA-N 0 3 389.412 -0.151 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(=O)N1c1ccccc1 ZINC000659703619 1073079605 /nfs/dbraw/zinc/07/96/05/1073079605.db2.gz BWXITIHLTDSBSL-BXUZGUMPSA-N 0 3 398.423 -0.433 20 0 GBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(=O)N1c1ccccc1 ZINC000659703620 1073079942 /nfs/dbraw/zinc/07/99/42/1073079942.db2.gz BWXITIHLTDSBSL-FZMZJTMJSA-N 0 3 398.423 -0.433 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(=O)N1c1ccccc1 ZINC000659703621 1073079694 /nfs/dbraw/zinc/07/96/94/1073079694.db2.gz BWXITIHLTDSBSL-RISCZKNCSA-N 0 3 398.423 -0.433 20 0 GBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(=O)N1c1ccccc1 ZINC000659703622 1073079587 /nfs/dbraw/zinc/07/95/87/1073079587.db2.gz BWXITIHLTDSBSL-SMDDNHRTSA-N 0 3 398.423 -0.433 20 0 GBADHN C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](CN)C1 ZINC000659704423 530150861 /nfs/dbraw/zinc/15/08/61/530150861.db2.gz PFGKVBYQOUTDJJ-OLZOCXBDSA-N 0 3 392.547 -0.933 20 0 GBADHN COc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1F ZINC000659704552 1073079714 /nfs/dbraw/zinc/07/97/14/1073079714.db2.gz OTBPMRSIVHXBDI-UHFFFAOYSA-N 0 3 377.376 -0.236 20 0 GBADHN COc1ccccc1OCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659704781 1073078307 /nfs/dbraw/zinc/07/83/07/1073078307.db2.gz QEWOJWQTIIHMHV-UHFFFAOYSA-N 0 3 389.412 -0.149 20 0 GBADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2 ZINC000659705080 1073078383 /nfs/dbraw/zinc/07/83/83/1073078383.db2.gz SYNXBTKRRPHDDX-GFCCVEGCSA-N 0 3 387.396 -0.614 20 0 GBADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2 ZINC000659705081 1073078336 /nfs/dbraw/zinc/07/83/36/1073078336.db2.gz SYNXBTKRRPHDDX-LBPRGKRZSA-N 0 3 387.396 -0.614 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCOc2ccc(F)cc2F)n1 ZINC000659706194 1073078107 /nfs/dbraw/zinc/07/81/07/1073078107.db2.gz GKJRXYOTXUQDDP-UHFFFAOYSA-N 0 3 381.339 -0.270 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717496 1073080131 /nfs/dbraw/zinc/08/01/31/1073080131.db2.gz HZQVWZMQBWROLQ-CAOSSQGBSA-N 0 3 394.516 -0.025 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717497 1073079573 /nfs/dbraw/zinc/07/95/73/1073079573.db2.gz HZQVWZMQBWROLQ-KLHDSHLOSA-N 0 3 394.516 -0.025 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717498 1073080300 /nfs/dbraw/zinc/08/03/00/1073080300.db2.gz HZQVWZMQBWROLQ-QKPAOTATSA-N 0 3 394.516 -0.025 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717499 1073079787 /nfs/dbraw/zinc/07/97/87/1073079787.db2.gz HZQVWZMQBWROLQ-ZJIFWQFVSA-N 0 3 394.516 -0.025 20 0 GBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717523 1073079905 /nfs/dbraw/zinc/07/99/05/1073079905.db2.gz IHSSIZCTWUGQLH-GDBMZVCRSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717524 1073080073 /nfs/dbraw/zinc/08/00/73/1073080073.db2.gz IHSSIZCTWUGQLH-GOEBONIOSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717525 1073079655 /nfs/dbraw/zinc/07/96/55/1073079655.db2.gz IHSSIZCTWUGQLH-HOCLYGCPSA-N 0 3 382.505 -0.214 20 0 GBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717526 1073080334 /nfs/dbraw/zinc/08/03/34/1073080334.db2.gz IHSSIZCTWUGQLH-ZBFHGGJFSA-N 0 3 382.505 -0.214 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)C[C@H]21 ZINC000659718446 1073079987 /nfs/dbraw/zinc/07/99/87/1073079987.db2.gz PDNXTHMVPVAAOT-XQLPTFJDSA-N 0 3 387.502 -0.719 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)C[C@H]21 ZINC000659718447 1073080008 /nfs/dbraw/zinc/08/00/08/1073080008.db2.gz PDNXTHMVPVAAOT-YJNKXOJESA-N 0 3 387.502 -0.719 20 0 GBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659718600 530150835 /nfs/dbraw/zinc/15/08/35/530150835.db2.gz QCUJOZYDUNIBLX-DCAQKATOSA-N 0 3 387.424 -0.090 20 0 GBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659718601 530150825 /nfs/dbraw/zinc/15/08/25/530150825.db2.gz QCUJOZYDUNIBLX-VWYCJHECSA-N 0 3 387.424 -0.090 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000659720575 1073085042 /nfs/dbraw/zinc/08/50/42/1073085042.db2.gz QIELNNBBBQDSTN-KRWDZBQOSA-N 0 3 391.516 -0.552 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000659720576 1073085448 /nfs/dbraw/zinc/08/54/48/1073085448.db2.gz QIELNNBBBQDSTN-QGZVFWFLSA-N 0 3 391.516 -0.552 20 0 GBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000659722968 1073082463 /nfs/dbraw/zinc/08/24/63/1073082463.db2.gz OFLWPTFTWMLFSF-HNNXBMFYSA-N 0 3 383.443 -0.371 20 0 GBADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000659722972 1073083333 /nfs/dbraw/zinc/08/33/33/1073083333.db2.gz OFLWPTFTWMLFSF-OAHLLOKOSA-N 0 3 383.443 -0.371 20 0 GBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000659726893 1073088127 /nfs/dbraw/zinc/08/81/27/1073088127.db2.gz CMDRFACVHPIAQI-ATGSNQNLSA-N 0 3 399.444 -0.993 20 0 GBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000659726894 1073087685 /nfs/dbraw/zinc/08/76/85/1073087685.db2.gz CMDRFACVHPIAQI-MYPMTAMASA-N 0 3 399.444 -0.993 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000659726895 1073087290 /nfs/dbraw/zinc/08/72/90/1073087290.db2.gz CMDRFACVHPIAQI-PMOUVXMZSA-N 0 3 399.444 -0.993 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000659726896 1073087389 /nfs/dbraw/zinc/08/73/89/1073087389.db2.gz CMDRFACVHPIAQI-ZGKBOVNRSA-N 0 3 399.444 -0.993 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000659727248 1073084116 /nfs/dbraw/zinc/08/41/16/1073084116.db2.gz JJZCQAJGMFVFRO-UHFFFAOYSA-N 0 3 395.322 -0.105 20 0 GBADHN COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)CC2=O)cc1 ZINC000659727903 1073085924 /nfs/dbraw/zinc/08/59/24/1073085924.db2.gz LWXDLAXWKNIZSC-DOMZBBRYSA-N 0 3 376.413 -0.979 20 0 GBADHN COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@H]3CNCCO3)CC2=O)cc1 ZINC000659727904 1073085645 /nfs/dbraw/zinc/08/56/45/1073085645.db2.gz LWXDLAXWKNIZSC-IUODEOHRSA-N 0 3 376.413 -0.979 20 0 GBADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)CC2=O)cc1 ZINC000659727905 1073085621 /nfs/dbraw/zinc/08/56/21/1073085621.db2.gz LWXDLAXWKNIZSC-SWLSCSKDSA-N 0 3 376.413 -0.979 20 0 GBADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)CC2=O)cc1 ZINC000659727906 1073085847 /nfs/dbraw/zinc/08/58/47/1073085847.db2.gz LWXDLAXWKNIZSC-WFASDCNBSA-N 0 3 376.413 -0.979 20 0 GBADHN COC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(OC)c1 ZINC000659728485 1073085797 /nfs/dbraw/zinc/08/57/97/1073085797.db2.gz JPRKPFYNQFKSGK-AWEZNQCLSA-N 0 3 389.412 -0.230 20 0 GBADHN COC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(OC)c1 ZINC000659728486 1073085770 /nfs/dbraw/zinc/08/57/70/1073085770.db2.gz JPRKPFYNQFKSGK-CQSZACIVSA-N 0 3 389.412 -0.230 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000659730966 1073092297 /nfs/dbraw/zinc/09/22/97/1073092297.db2.gz WCELCIKOGVDXNW-GBJTYRQASA-N 0 3 399.444 -0.993 20 0 GBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000659730967 1073092500 /nfs/dbraw/zinc/09/25/00/1073092500.db2.gz WCELCIKOGVDXNW-LJISPDSOSA-N 0 3 399.444 -0.993 20 0 GBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000659730968 1073092325 /nfs/dbraw/zinc/09/23/25/1073092325.db2.gz WCELCIKOGVDXNW-XGUBFFRZSA-N 0 3 399.444 -0.993 20 0 GBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000659730969 1073092129 /nfs/dbraw/zinc/09/21/29/1073092129.db2.gz WCELCIKOGVDXNW-YJNKXOJESA-N 0 3 399.444 -0.993 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)n1 ZINC000659735005 1073093661 /nfs/dbraw/zinc/09/36/61/1073093661.db2.gz HMSMNILRHYKESS-ZFWWWQNUSA-N 0 3 385.424 -0.054 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000659739232 1073091406 /nfs/dbraw/zinc/09/14/06/1073091406.db2.gz OJWOTZMQOJGKSU-MSOLQXFVSA-N 0 3 387.484 -0.076 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000659739233 1073091132 /nfs/dbraw/zinc/09/11/32/1073091132.db2.gz OJWOTZMQOJGKSU-QZTJIDSGSA-N 0 3 387.484 -0.076 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000659739234 1073090852 /nfs/dbraw/zinc/09/08/52/1073090852.db2.gz OJWOTZMQOJGKSU-ROUUACIJSA-N 0 3 387.484 -0.076 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000659739235 1073090725 /nfs/dbraw/zinc/09/07/25/1073090725.db2.gz OJWOTZMQOJGKSU-ZWKOTPCHSA-N 0 3 387.484 -0.076 20 0 GBADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659746204 1073093835 /nfs/dbraw/zinc/09/38/35/1073093835.db2.gz JLSKWVLBFSDUSS-KZNAEPCWSA-N 0 3 391.491 -0.184 20 0 GBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659746205 1073094039 /nfs/dbraw/zinc/09/40/39/1073094039.db2.gz JLSKWVLBFSDUSS-RCCFBDPRSA-N 0 3 391.491 -0.184 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2cccc3c2OC(F)(F)O3)n1 ZINC000659746958 1073096195 /nfs/dbraw/zinc/09/61/95/1073096195.db2.gz UFTPRTQTZNNZJF-UHFFFAOYSA-N 0 3 395.322 -0.105 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)n1 ZINC000659747286 1073095618 /nfs/dbraw/zinc/09/56/18/1073095618.db2.gz ADMXDMKKJXLOTQ-UHFFFAOYSA-N 0 3 389.391 -0.860 20 0 GBADHN Cc1cccc(CN2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)c1 ZINC000659747333 1073096250 /nfs/dbraw/zinc/09/62/50/1073096250.db2.gz BTJOANPTNRMFGM-UHFFFAOYSA-N 0 3 398.467 -0.090 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000659747363 1073095152 /nfs/dbraw/zinc/09/51/52/1073095152.db2.gz CZXUFNGIMKOATC-UHFFFAOYSA-N 0 3 388.403 -0.255 20 0 GBADHN CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](Cc2ccccc2)C1 ZINC000659747557 1073094439 /nfs/dbraw/zinc/09/44/39/1073094439.db2.gz DSKHIJQTLGJMLQ-INIZCTEOSA-N 0 3 398.467 -0.358 20 0 GBADHN CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](Cc2ccccc2)C1 ZINC000659747558 1073094828 /nfs/dbraw/zinc/09/48/28/1073094828.db2.gz DSKHIJQTLGJMLQ-MRXNPFEDSA-N 0 3 398.467 -0.358 20 0 GBADHN CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000659747559 1073094367 /nfs/dbraw/zinc/09/43/67/1073094367.db2.gz DTKFUHPOKMBUMC-AWEZNQCLSA-N 0 3 398.423 -0.479 20 0 GBADHN CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000659747560 1073093873 /nfs/dbraw/zinc/09/38/73/1073093873.db2.gz DTKFUHPOKMBUMC-CQSZACIVSA-N 0 3 398.423 -0.479 20 0 GBADHN COCCN(Cc1cccs1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747568 1073094787 /nfs/dbraw/zinc/09/47/87/1073094787.db2.gz FBACFVYXKTVEEJ-UHFFFAOYSA-N 0 3 379.442 -0.006 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)n1 ZINC000659747582 1073094469 /nfs/dbraw/zinc/09/44/69/1073094469.db2.gz FMKXDJGRFPFENY-UHFFFAOYSA-N 0 3 390.366 -0.646 20 0 GBADHN Cc1ccccc1CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659747583 1073095506 /nfs/dbraw/zinc/09/55/06/1073095506.db2.gz FMSDRVCULGTPKB-UHFFFAOYSA-N 0 3 398.467 -0.090 20 0 GBADHN CC(C)N1C(=O)CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1(C)C ZINC000659747665 1073094670 /nfs/dbraw/zinc/09/46/70/1073094670.db2.gz HOSDQBKARQUQPU-UHFFFAOYSA-N 0 3 378.433 -0.885 20 0 GBADHN CC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1CC(F)F ZINC000659747795 1073096892 /nfs/dbraw/zinc/09/68/92/1073096892.db2.gz JXIRXLKFVWSFFK-LLVKDONJSA-N 0 3 386.403 -0.555 20 0 GBADHN CC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1CC(F)F ZINC000659747796 1073097044 /nfs/dbraw/zinc/09/70/44/1073097044.db2.gz JXIRXLKFVWSFFK-NSHDSACASA-N 0 3 386.403 -0.555 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)n1 ZINC000659747811 1073097292 /nfs/dbraw/zinc/09/72/92/1073097292.db2.gz KGRHBAKVFCUHPA-UHFFFAOYSA-N 0 3 375.360 -0.183 20 0 GBADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747857 1073097422 /nfs/dbraw/zinc/09/74/22/1073097422.db2.gz KWSWKLHMNZTBBR-UHFFFAOYSA-N 0 3 394.476 -0.926 20 0 GBADHN Cc1csc(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)n1 ZINC000659747909 1073097316 /nfs/dbraw/zinc/09/73/16/1073097316.db2.gz AMYWXFMZUJBSJR-UHFFFAOYSA-N 0 3 391.457 -0.629 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 ZINC000659747916 1073096947 /nfs/dbraw/zinc/09/69/47/1073096947.db2.gz APGFDEVYGYRJHS-AWEZNQCLSA-N 0 3 398.423 -0.653 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 ZINC000659747917 1073097068 /nfs/dbraw/zinc/09/70/68/1073097068.db2.gz APGFDEVYGYRJHS-CQSZACIVSA-N 0 3 398.423 -0.653 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)n1 ZINC000659747926 1073096555 /nfs/dbraw/zinc/09/65/55/1073096555.db2.gz AZMUPNJUVDVALZ-UHFFFAOYSA-N 0 3 386.412 -0.689 20 0 GBADHN CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1CCOC ZINC000659747969 1073097617 /nfs/dbraw/zinc/09/76/17/1073097617.db2.gz LTRKRSMMXHBCJY-AWEZNQCLSA-N 0 3 394.476 -0.784 20 0 GBADHN CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1CCOC ZINC000659747971 1073096401 /nfs/dbraw/zinc/09/64/01/1073096401.db2.gz LTRKRSMMXHBCJY-CQSZACIVSA-N 0 3 394.476 -0.784 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)n1 ZINC000659747987 1073097542 /nfs/dbraw/zinc/09/75/42/1073097542.db2.gz BZFWYBISXTWGSX-UHFFFAOYSA-N 0 3 390.469 -0.337 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)n1 ZINC000659748001 1073096993 /nfs/dbraw/zinc/09/69/93/1073096993.db2.gz CBVMKQSNOFOPNN-AWEZNQCLSA-N 0 3 389.387 -0.004 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 ZINC000659748003 1073097023 /nfs/dbraw/zinc/09/70/23/1073097023.db2.gz CBVMKQSNOFOPNN-CQSZACIVSA-N 0 3 389.387 -0.004 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000659748055 1073097354 /nfs/dbraw/zinc/09/73/54/1073097354.db2.gz NHCQDSPSZPMUCO-HNNXBMFYSA-N 0 3 385.424 -0.273 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000659748056 1073096850 /nfs/dbraw/zinc/09/68/50/1073096850.db2.gz NHCQDSPSZPMUCO-OAHLLOKOSA-N 0 3 385.424 -0.273 20 0 GBADHN Cc1ccc([C@H]2COCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)o1 ZINC000659748064 1073097504 /nfs/dbraw/zinc/09/75/04/1073097504.db2.gz NTAWNOOIQRUWMX-GFCCVEGCSA-N 0 3 375.385 -0.241 20 0 GBADHN Cc1ccc([C@@H]2COCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)o1 ZINC000659748065 1073096429 /nfs/dbraw/zinc/09/64/29/1073096429.db2.gz NTAWNOOIQRUWMX-LBPRGKRZSA-N 0 3 375.385 -0.241 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000659748070 1073097134 /nfs/dbraw/zinc/09/71/34/1073097134.db2.gz NVADYEGDSCTVAZ-JTQLQIEISA-N 0 3 391.350 -0.173 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000659748071 1073096743 /nfs/dbraw/zinc/09/67/43/1073096743.db2.gz NVADYEGDSCTVAZ-SNVBAGLBSA-N 0 3 391.350 -0.173 20 0 GBADHN Cc1ccccc1N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748072 1073097381 /nfs/dbraw/zinc/09/73/81/1073097381.db2.gz NVTZPUJTFLNUEU-UHFFFAOYSA-N 0 3 384.440 -0.086 20 0 GBADHN CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](c2ccccc2)C1 ZINC000659748158 1073097270 /nfs/dbraw/zinc/09/72/70/1073097270.db2.gz FLVYVJJDAQQFEO-HNNXBMFYSA-N 0 3 384.440 -0.228 20 0 GBADHN CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](c2ccccc2)C1 ZINC000659748160 1073096663 /nfs/dbraw/zinc/09/66/63/1073096663.db2.gz FLVYVJJDAQQFEO-OAHLLOKOSA-N 0 3 384.440 -0.228 20 0 GBADHN Cc1cccc(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)c1 ZINC000659748172 1073096967 /nfs/dbraw/zinc/09/69/67/1073096967.db2.gz FVCKLOHEYBEDEK-UHFFFAOYSA-N 0 3 384.440 -0.086 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000659748228 1073095090 /nfs/dbraw/zinc/09/50/90/1073095090.db2.gz QIWQAMZUXBAVHK-UHFFFAOYSA-N 0 3 384.440 -0.399 20 0 GBADHN CN(CCOc1ccccc1F)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748235 1073095998 /nfs/dbraw/zinc/09/59/98/1073095998.db2.gz GZYSWTQQELBRIE-UHFFFAOYSA-N 0 3 377.376 -0.066 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3ncccc3F)CC2)n1 ZINC000659748247 1073095387 /nfs/dbraw/zinc/09/53/87/1073095387.db2.gz QNXNUEXIBFDPIU-UHFFFAOYSA-N 0 3 389.391 -0.860 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3cccs3)CC2)n1 ZINC000659748264 1073095534 /nfs/dbraw/zinc/09/55/34/1073095534.db2.gz RHNQWCRVNXKQMI-UHFFFAOYSA-N 0 3 376.442 -0.333 20 0 GBADHN CN(c1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748384 1073096156 /nfs/dbraw/zinc/09/61/56/1073096156.db2.gz VALJIZVFXCCYGI-HNNXBMFYSA-N 0 3 384.440 -0.006 20 0 GBADHN CN(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748386 1073095747 /nfs/dbraw/zinc/09/57/47/1073095747.db2.gz VALJIZVFXCCYGI-OAHLLOKOSA-N 0 3 384.440 -0.006 20 0 GBADHN COCCN(CCc1ccccc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748401 1073095046 /nfs/dbraw/zinc/09/50/46/1073095046.db2.gz ISXGNLVFWYSBAL-UHFFFAOYSA-N 0 3 387.440 -0.025 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000659748500 1073096090 /nfs/dbraw/zinc/09/60/90/1073096090.db2.gz WSICLEVTRKQNAB-AWEZNQCLSA-N 0 3 389.387 -0.004 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000659748502 1073095358 /nfs/dbraw/zinc/09/53/58/1073095358.db2.gz WSICLEVTRKQNAB-CQSZACIVSA-N 0 3 389.387 -0.004 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000659748528 1073095309 /nfs/dbraw/zinc/09/53/09/1073095309.db2.gz XEXWHTMHXBTWPU-UHFFFAOYSA-N 0 3 388.403 -0.255 20 0 GBADHN COCCN(Cc1ccc(C)o1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748556 1073096056 /nfs/dbraw/zinc/09/60/56/1073096056.db2.gz JMKQEQGZAGUYLY-UHFFFAOYSA-N 0 3 377.401 -0.166 20 0 GBADHN C[C@@H](N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1)C(F)(F)F ZINC000659748578 1073096138 /nfs/dbraw/zinc/09/61/38/1073096138.db2.gz XSYUHXIMRUTRGO-SECBINFHSA-N 0 3 390.366 -0.648 20 0 GBADHN C[C@H](N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1)C(F)(F)F ZINC000659748579 1073095255 /nfs/dbraw/zinc/09/52/55/1073095255.db2.gz XSYUHXIMRUTRGO-VIFPVBQESA-N 0 3 390.366 -0.648 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCN(c3nccs3)CC2)n1 ZINC000659748588 1073095847 /nfs/dbraw/zinc/09/58/47/1073095847.db2.gz JVIBQOMKVLPEHK-UHFFFAOYSA-N 0 3 391.457 -0.548 20 0 GBADHN COc1cc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(OC)c1 ZINC000659748619 1073096072 /nfs/dbraw/zinc/09/60/72/1073096072.db2.gz KCKNTNAFPMZSDS-UHFFFAOYSA-N 0 3 389.412 -0.067 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000659748631 1073095724 /nfs/dbraw/zinc/09/57/24/1073095724.db2.gz KEVHTYMGAAYCGV-UHFFFAOYSA-N 0 3 398.423 -0.758 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)n1 ZINC000659748663 1073095113 /nfs/dbraw/zinc/09/51/13/1073095113.db2.gz ZTXUQPGXKPOGSZ-UHFFFAOYSA-N 0 3 390.469 -0.337 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1Cc1ccccc1 ZINC000659748697 1073096809 /nfs/dbraw/zinc/09/68/09/1073096809.db2.gz LLBWNZCPGKIOQH-AWEZNQCLSA-N 0 3 398.467 -0.010 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1Cc1ccccc1 ZINC000659748698 1073096921 /nfs/dbraw/zinc/09/69/21/1073096921.db2.gz LLBWNZCPGKIOQH-CQSZACIVSA-N 0 3 398.467 -0.010 20 0 GBADHN COc1ccc(OCCN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659748858 1073098020 /nfs/dbraw/zinc/09/80/20/1073098020.db2.gz NPSFPJKEYNXKLI-UHFFFAOYSA-N 0 3 389.412 -0.197 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)n1 ZINC000659748861 1073098677 /nfs/dbraw/zinc/09/86/77/1073098677.db2.gz NQMXUKJWSINWPL-UHFFFAOYSA-N 0 3 398.467 -0.356 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)n1 ZINC000659748865 1073098646 /nfs/dbraw/zinc/09/86/46/1073098646.db2.gz NWHSDYSQRBQKBY-GFCCVEGCSA-N 0 3 377.426 -0.081 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)n1 ZINC000659748866 1073098038 /nfs/dbraw/zinc/09/80/38/1073098038.db2.gz NWHSDYSQRBQKBY-LBPRGKRZSA-N 0 3 377.426 -0.081 20 0 GBADHN Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)c1 ZINC000659748872 1073097769 /nfs/dbraw/zinc/09/77/69/1073097769.db2.gz OCRQIXDIHSBFBL-UHFFFAOYSA-N 0 3 385.428 -0.691 20 0 GBADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748886 1073098120 /nfs/dbraw/zinc/09/81/20/1073098120.db2.gz OJLNYYFZZPNDPJ-AWEZNQCLSA-N 0 3 398.467 -0.010 20 0 GBADHN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748887 1073098558 /nfs/dbraw/zinc/09/85/58/1073098558.db2.gz OJLNYYFZZPNDPJ-CQSZACIVSA-N 0 3 398.467 -0.010 20 0 GBADHN CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749027 1073098484 /nfs/dbraw/zinc/09/84/84/1073098484.db2.gz PLTLQKLLBUSSBF-UHFFFAOYSA-N 0 3 387.396 -0.313 20 0 GBADHN Cc1ccncc1N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659749251 1073098248 /nfs/dbraw/zinc/09/82/48/1073098248.db2.gz TXYHWZWGRDXIBM-UHFFFAOYSA-N 0 3 385.428 -0.691 20 0 GBADHN CN(CCOc1ccc(F)cc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749315 1073097963 /nfs/dbraw/zinc/09/79/63/1073097963.db2.gz VNLRJEZEUBAVBY-UHFFFAOYSA-N 0 3 377.376 -0.066 20 0 GBADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659749332 1073097878 /nfs/dbraw/zinc/09/78/78/1073097878.db2.gz VYEPXSJVBOMFSQ-CYBMUJFWSA-N 0 3 399.455 -0.443 20 0 GBADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659749334 1073098620 /nfs/dbraw/zinc/09/86/20/1073098620.db2.gz VYEPXSJVBOMFSQ-ZDUSSCGKSA-N 0 3 399.455 -0.443 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)n1 ZINC000659749470 1073097988 /nfs/dbraw/zinc/09/79/88/1073097988.db2.gz XVHNTKWBXBBXTC-AWEZNQCLSA-N 0 3 387.396 -0.437 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)n1 ZINC000659749472 1073098278 /nfs/dbraw/zinc/09/82/78/1073098278.db2.gz XVHNTKWBXBBXTC-CQSZACIVSA-N 0 3 387.396 -0.437 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)n1 ZINC000659749509 1073096716 /nfs/dbraw/zinc/09/67/16/1073096716.db2.gz YCOAJDJEFWOMDF-AWEZNQCLSA-N 0 3 389.387 -0.004 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC000659749512 1073096580 /nfs/dbraw/zinc/09/65/80/1073096580.db2.gz YCOAJDJEFWOMDF-CQSZACIVSA-N 0 3 389.387 -0.004 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCN(c3ccccc3)CC2)n1 ZINC000659749521 1073097223 /nfs/dbraw/zinc/09/72/23/1073097223.db2.gz YMRGAJFASDAXCB-UHFFFAOYSA-N 0 3 384.440 -0.004 20 0 GBADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1C ZINC000659749547 1073098808 /nfs/dbraw/zinc/09/88/08/1073098808.db2.gz YTIBNKNFFPALJL-UHFFFAOYSA-N 0 3 388.428 -0.064 20 0 GBADHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749610 1073098146 /nfs/dbraw/zinc/09/81/46/1073098146.db2.gz ZNNNBVUABWQQGV-GFCCVEGCSA-N 0 3 387.396 -0.445 20 0 GBADHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749611 1073097902 /nfs/dbraw/zinc/09/79/02/1073097902.db2.gz ZNNNBVUABWQQGV-LBPRGKRZSA-N 0 3 387.396 -0.445 20 0 GBADHN CC(C)O[C@]1(CS(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCOC1 ZINC000659984329 530444379 /nfs/dbraw/zinc/44/43/79/530444379.db2.gz IHXQUHCSNBXBOL-GDBMZVCRSA-N 0 3 377.507 -0.048 20 0 GBADHN CC(C)O[C@]1(CS(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCOC1 ZINC000659984330 530444352 /nfs/dbraw/zinc/44/43/52/530444352.db2.gz IHXQUHCSNBXBOL-GOEBONIOSA-N 0 3 377.507 -0.048 20 0 GBADHN CC(C)O[C@@]1(CS(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCOC1 ZINC000659984331 530444152 /nfs/dbraw/zinc/44/41/52/530444152.db2.gz IHXQUHCSNBXBOL-HOCLYGCPSA-N 0 3 377.507 -0.048 20 0 GBADHN CC(C)O[C@@]1(CS(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCOC1 ZINC000659984332 530444315 /nfs/dbraw/zinc/44/43/15/530444315.db2.gz IHXQUHCSNBXBOL-ZBFHGGJFSA-N 0 3 377.507 -0.048 20 0 GBADHN CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(CCN(C)C)C(=O)C3)cc2C1 ZINC000659985346 1073266565 /nfs/dbraw/zinc/26/65/65/1073266565.db2.gz HTVAHXKOIBAWFK-UHFFFAOYSA-N 0 3 394.497 -0.057 20 0 GBADHN CC(C)O[C@@]1(CS(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)CCOC1 ZINC000659985689 530152020 /nfs/dbraw/zinc/15/20/20/530152020.db2.gz QBXFWOHXZLDYJD-INIZCTEOSA-N 0 3 377.507 -0.394 20 0 GBADHN CC(C)O[C@]1(CS(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)CCOC1 ZINC000659985690 530151852 /nfs/dbraw/zinc/15/18/52/530151852.db2.gz QBXFWOHXZLDYJD-MRXNPFEDSA-N 0 3 377.507 -0.394 20 0 GBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cn1 ZINC000660089230 530152447 /nfs/dbraw/zinc/15/24/47/530152447.db2.gz AFSASFITPLHSPH-CYBMUJFWSA-N 0 3 389.499 -0.295 20 0 GBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cn1 ZINC000660089232 530152466 /nfs/dbraw/zinc/15/24/66/530152466.db2.gz AFSASFITPLHSPH-ZDUSSCGKSA-N 0 3 389.499 -0.295 20 0 GBADHN O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660090453 1073288754 /nfs/dbraw/zinc/28/87/54/1073288754.db2.gz HXNAZTQUSJSOKA-HNNXBMFYSA-N 0 3 378.458 -0.118 20 0 GBADHN O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660090455 1073288592 /nfs/dbraw/zinc/28/85/92/1073288592.db2.gz HXNAZTQUSJSOKA-OAHLLOKOSA-N 0 3 378.458 -0.118 20 0 GBADHN O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660090534 1073288904 /nfs/dbraw/zinc/28/89/04/1073288904.db2.gz JRGWVOXWJUVQCD-HNNXBMFYSA-N 0 3 378.458 -0.118 20 0 GBADHN O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660090535 1073288481 /nfs/dbraw/zinc/28/84/81/1073288481.db2.gz JRGWVOXWJUVQCD-OAHLLOKOSA-N 0 3 378.458 -0.118 20 0 GBADHN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000660090739 530152541 /nfs/dbraw/zinc/15/25/41/530152541.db2.gz DJKVEYJIUFRUAH-CYBMUJFWSA-N 0 3 389.499 -0.446 20 0 GBADHN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC000660090741 530152352 /nfs/dbraw/zinc/15/23/52/530152352.db2.gz DJKVEYJIUFRUAH-ZDUSSCGKSA-N 0 3 389.499 -0.446 20 0 GBADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000660092988 530152403 /nfs/dbraw/zinc/15/24/03/530152403.db2.gz WFQKUGNZJHWKMS-CYBMUJFWSA-N 0 3 389.499 -0.446 20 0 GBADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000660092992 530152315 /nfs/dbraw/zinc/15/23/15/530152315.db2.gz WFQKUGNZJHWKMS-ZDUSSCGKSA-N 0 3 389.499 -0.446 20 0 GBADHN COCCOCCOCCS(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660093139 530152663 /nfs/dbraw/zinc/15/26/63/530152663.db2.gz WJTPGRLVTCODSU-INIZCTEOSA-N 0 3 380.507 -0.473 20 0 GBADHN COCCOCCOCCS(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660093141 530152605 /nfs/dbraw/zinc/15/26/05/530152605.db2.gz WJTPGRLVTCODSU-MRXNPFEDSA-N 0 3 380.507 -0.473 20 0 GBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660093674 530152585 /nfs/dbraw/zinc/15/25/85/530152585.db2.gz YWUUVJHTSGOXTD-AWEZNQCLSA-N 0 3 383.536 -0.871 20 0 GBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660093676 530152710 /nfs/dbraw/zinc/15/27/10/530152710.db2.gz YWUUVJHTSGOXTD-CQSZACIVSA-N 0 3 383.536 -0.871 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000660180438 530153155 /nfs/dbraw/zinc/15/31/55/530153155.db2.gz ZEPWQOFBHNGOKS-HNNXBMFYSA-N 0 3 394.563 -0.480 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000660180439 530153098 /nfs/dbraw/zinc/15/30/98/530153098.db2.gz ZEPWQOFBHNGOKS-OAHLLOKOSA-N 0 3 394.563 -0.480 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000660216571 1073308946 /nfs/dbraw/zinc/30/89/46/1073308946.db2.gz RRHIZADBMBAWAS-UHFFFAOYSA-N 0 3 376.461 -0.693 20 0 GBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000660270952 1073315484 /nfs/dbraw/zinc/31/54/84/1073315484.db2.gz UTWAKUSUAVFYIH-CVEARBPZSA-N 0 3 379.505 -0.696 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCCCCN3CCN(C)CC3)C[C@H]21 ZINC000660336070 1073320533 /nfs/dbraw/zinc/32/05/33/1073320533.db2.gz HHDGTHCUYCEGDK-XHSDSOJGSA-N 0 3 388.534 -0.533 20 0 GBADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(C)CC2)CCN1S(C)(=O)=O ZINC000660337207 530153323 /nfs/dbraw/zinc/15/33/23/530153323.db2.gz RUSQMUYFEDXCDH-OAHLLOKOSA-N 0 3 375.539 -0.311 20 0 GBADHN CCc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)n1 ZINC000660342554 1073321955 /nfs/dbraw/zinc/32/19/55/1073321955.db2.gz NCEPACNXVYZARU-QWHCGFSZSA-N 0 3 378.502 -0.088 20 0 GBADHN CCN1CCN(CCCCNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000660404740 530152958 /nfs/dbraw/zinc/15/29/58/530152958.db2.gz NZABXSQIRXYOGV-CABCVRRESA-N 0 3 376.523 -0.485 20 0 GBADHN CCN1CCN(CCCCNC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000660404741 530153228 /nfs/dbraw/zinc/15/32/28/530153228.db2.gz NZABXSQIRXYOGV-GJZGRUSLSA-N 0 3 376.523 -0.485 20 0 GBADHN CCN1CCN(CCCCNC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000660404742 530153139 /nfs/dbraw/zinc/15/31/39/530153139.db2.gz NZABXSQIRXYOGV-HUUCEWRRSA-N 0 3 376.523 -0.485 20 0 GBADHN CCN1CCN(CCCCNC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000660404743 530153398 /nfs/dbraw/zinc/15/33/98/530153398.db2.gz NZABXSQIRXYOGV-LSDHHAIUSA-N 0 3 376.523 -0.485 20 0 GBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000660469861 1073354729 /nfs/dbraw/zinc/35/47/29/1073354729.db2.gz DLLCYYSXDUZASG-DLBZAZTESA-N 0 3 388.468 -0.307 20 0 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ZINC000662014153 1073513479 /nfs/dbraw/zinc/51/34/79/1073513479.db2.gz NJIROOMBQIMLBK-ZDUSSCGKSA-N 0 3 391.476 -0.489 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662038244 1073517661 /nfs/dbraw/zinc/51/76/61/1073517661.db2.gz YMULAHIEBBGNDQ-CABCVRRESA-N 0 3 385.472 -0.020 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662038247 1073518137 /nfs/dbraw/zinc/51/81/37/1073518137.db2.gz YMULAHIEBBGNDQ-GJZGRUSLSA-N 0 3 385.472 -0.020 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662038253 1073518195 /nfs/dbraw/zinc/51/81/95/1073518195.db2.gz YMULAHIEBBGNDQ-HUUCEWRRSA-N 0 3 385.472 -0.020 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662038257 1073518252 /nfs/dbraw/zinc/51/82/52/1073518252.db2.gz YMULAHIEBBGNDQ-LSDHHAIUSA-N 0 3 385.472 -0.020 20 0 GBADHN O=C(CN1CCC2(COC2)C1)N1CCN(C(=O)CN2CCC3(COC3)C2)CC1 ZINC000662076813 1073525596 /nfs/dbraw/zinc/52/55/96/1073525596.db2.gz 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COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@@H]3CNCCO3)CC2)c1 ZINC000662248506 1073553255 /nfs/dbraw/zinc/55/32/55/1073553255.db2.gz DJXYMYJMTCVUPV-HNNXBMFYSA-N 0 3 385.486 -0.002 20 0 GBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@H]3CNCCO3)CC2)c1 ZINC000662248507 1073553171 /nfs/dbraw/zinc/55/31/71/1073553171.db2.gz DJXYMYJMTCVUPV-OAHLLOKOSA-N 0 3 385.486 -0.002 20 0 GBADHN O=S(=O)(c1cccc2nsnc21)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662248815 530156609 /nfs/dbraw/zinc/15/66/09/530156609.db2.gz JXUWKTSJKPGRIP-GFCCVEGCSA-N 0 3 383.499 -0.014 20 0 GBADHN O=S(=O)(c1cccc2nsnc21)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662248816 530156275 /nfs/dbraw/zinc/15/62/75/530156275.db2.gz JXUWKTSJKPGRIP-LBPRGKRZSA-N 0 3 383.499 -0.014 20 0 GBADHN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C[C@H]4CNCCO4)CC3)cc2[nH]1 ZINC000662249294 1073552963 /nfs/dbraw/zinc/55/29/63/1073552963.db2.gz SOAJCZJMWXUPEV-GFCCVEGCSA-N 0 3 381.458 -0.437 20 0 GBADHN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C[C@@H]4CNCCO4)CC3)cc2[nH]1 ZINC000662249295 1073552810 /nfs/dbraw/zinc/55/28/10/1073552810.db2.gz SOAJCZJMWXUPEV-LBPRGKRZSA-N 0 3 381.458 -0.437 20 0 GBADHN O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@H]4CNCCO4)CC3)cc2N1 ZINC000662253562 1073553660 /nfs/dbraw/zinc/55/36/60/1073553660.db2.gz ADRYWYKRXOMDOT-CYBMUJFWSA-N 0 3 396.469 -0.688 20 0 GBADHN O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@@H]4CNCCO4)CC3)cc2N1 ZINC000662253564 1073554041 /nfs/dbraw/zinc/55/40/41/1073554041.db2.gz ADRYWYKRXOMDOT-ZDUSSCGKSA-N 0 3 396.469 -0.688 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000662263274 1073554061 /nfs/dbraw/zinc/55/40/61/1073554061.db2.gz MWGFYTTYZUEPDS-KRWDZBQOSA-N 0 3 382.530 -0.121 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000662263275 1073554356 /nfs/dbraw/zinc/55/43/56/1073554356.db2.gz MWGFYTTYZUEPDS-QGZVFWFLSA-N 0 3 382.530 -0.121 20 0 GBADHN Cc1cc(N2CCC[C@@H](N3CCN(C[C@@H]4CNCCO4)CC3)C2=O)n(C)n1 ZINC000662281191 1073555569 /nfs/dbraw/zinc/55/55/69/1073555569.db2.gz VTKLXPMOIWSBOR-DLBZAZTESA-N 0 3 376.505 -0.170 20 0 GBADHN Cc1cc(N2CCC[C@@H](N3CCN(C[C@H]4CNCCO4)CC3)C2=O)n(C)n1 ZINC000662281192 1073555833 /nfs/dbraw/zinc/55/58/33/1073555833.db2.gz VTKLXPMOIWSBOR-IAGOWNOFSA-N 0 3 376.505 -0.170 20 0 GBADHN Cc1cc(N2CCC[C@H](N3CCN(C[C@@H]4CNCCO4)CC3)C2=O)n(C)n1 ZINC000662281193 1073556040 /nfs/dbraw/zinc/55/60/40/1073556040.db2.gz VTKLXPMOIWSBOR-IRXDYDNUSA-N 0 3 376.505 -0.170 20 0 GBADHN Cc1cc(N2CCC[C@H](N3CCN(C[C@H]4CNCCO4)CC3)C2=O)n(C)n1 ZINC000662281194 1073556067 /nfs/dbraw/zinc/55/60/67/1073556067.db2.gz VTKLXPMOIWSBOR-SJORKVTESA-N 0 3 376.505 -0.170 20 0 GBADHN NCCN(CCS(=O)(=O)c1cccc(Br)c1)C[C@@H](O)CO ZINC000662288332 530156430 /nfs/dbraw/zinc/15/64/30/530156430.db2.gz PFMZKEPTMAETCZ-GFCCVEGCSA-N 0 3 381.292 -0.163 20 0 GBADHN NCCN(CCS(=O)(=O)c1cccc(Br)c1)C[C@H](O)CO ZINC000662288333 530156333 /nfs/dbraw/zinc/15/63/33/530156333.db2.gz PFMZKEPTMAETCZ-LBPRGKRZSA-N 0 3 381.292 -0.163 20 0 GBADHN NCCN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@@H](O)CO ZINC000662289359 530156295 /nfs/dbraw/zinc/15/62/95/530156295.db2.gz VIXBFQKAGSIJTR-GFCCVEGCSA-N 0 3 381.292 -0.163 20 0 GBADHN NCCN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@H](O)CO ZINC000662289360 530156583 /nfs/dbraw/zinc/15/65/83/530156583.db2.gz VIXBFQKAGSIJTR-LBPRGKRZSA-N 0 3 381.292 -0.163 20 0 GBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662322346 1073560880 /nfs/dbraw/zinc/56/08/80/1073560880.db2.gz GXBFHAWEANHLFR-ZIAGYGMSSA-N 0 3 376.440 -0.617 20 0 GBADHN N[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1F ZINC000662322726 1073560851 /nfs/dbraw/zinc/56/08/51/1073560851.db2.gz XJURUYDGCUXFHB-HZPDHXFCSA-N 0 3 384.477 -0.109 20 0 GBADHN Cn1c(=O)c(C(=O)CN2CC[C@@H](F)[C@H](N)C2)c(N)n(Cc2ccccc2)c1=O ZINC000662324524 1073561004 /nfs/dbraw/zinc/56/10/04/1073561004.db2.gz XMZPYWXAMQDLPX-ZIAGYGMSSA-N 0 3 389.431 -0.269 20 0 GBADHN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](CN)C(F)(F)F ZINC000662328355 530156298 /nfs/dbraw/zinc/15/62/98/530156298.db2.gz QEYDWLDDUYDBMY-GFCCVEGCSA-N 0 3 382.408 -0.186 20 0 GBADHN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H](CN)C(F)(F)F ZINC000662328364 530156213 /nfs/dbraw/zinc/15/62/13/530156213.db2.gz QEYDWLDDUYDBMY-LBPRGKRZSA-N 0 3 382.408 -0.186 20 0 GBADHN COCCN(C(=O)CN(C)[C@H](CN)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000662328512 530156417 /nfs/dbraw/zinc/15/64/17/530156417.db2.gz CSUCRADPBPTHEQ-GHMZBOCLSA-N 0 3 375.413 -0.530 20 0 GBADHN COCCN(C(=O)CN(C)[C@@H](CN)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000662328624 530156363 /nfs/dbraw/zinc/15/63/63/530156363.db2.gz CSUCRADPBPTHEQ-MNOVXSKESA-N 0 3 375.413 -0.530 20 0 GBADHN COCCN(C(=O)CN(C)[C@@H](CN)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000662328627 530075817 /nfs/dbraw/zinc/07/58/17/530075817.db2.gz CSUCRADPBPTHEQ-QWRGUYRKSA-N 0 3 375.413 -0.530 20 0 GBADHN COCCN(C(=O)CN(C)[C@H](CN)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000662328633 530075803 /nfs/dbraw/zinc/07/58/03/530075803.db2.gz CSUCRADPBPTHEQ-WDEREUQCSA-N 0 3 375.413 -0.530 20 0 GBADHN CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](CN)C(F)(F)F ZINC000662329799 530156175 /nfs/dbraw/zinc/15/61/75/530156175.db2.gz QIFHNFWEJWFIQK-NEPJUHHUSA-N 0 3 386.440 -0.861 20 0 GBADHN CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](CN)C(F)(F)F ZINC000662329800 530156488 /nfs/dbraw/zinc/15/64/88/530156488.db2.gz QIFHNFWEJWFIQK-NWDGAFQWSA-N 0 3 386.440 -0.861 20 0 GBADHN CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](CN)C(F)(F)F ZINC000662329801 530156217 /nfs/dbraw/zinc/15/62/17/530156217.db2.gz QIFHNFWEJWFIQK-RYUDHWBXSA-N 0 3 386.440 -0.861 20 0 GBADHN CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](CN)C(F)(F)F ZINC000662329802 530156169 /nfs/dbraw/zinc/15/61/69/530156169.db2.gz QIFHNFWEJWFIQK-VXGBXAGGSA-N 0 3 386.440 -0.861 20 0 GBADHN CC(C)N(CCCNC(=O)CN(C)[C@H](CN)C(F)(F)F)S(C)(=O)=O ZINC000662329975 530156570 /nfs/dbraw/zinc/15/65/70/530156570.db2.gz SRWPJNKIQGXMEN-LLVKDONJSA-N 0 3 376.445 -0.016 20 0 GBADHN CC(C)N(CCCNC(=O)CN(C)[C@@H](CN)C(F)(F)F)S(C)(=O)=O ZINC000662329976 530156442 /nfs/dbraw/zinc/15/64/42/530156442.db2.gz SRWPJNKIQGXMEN-NSHDSACASA-N 0 3 376.445 -0.016 20 0 GBADHN O=C(C(=O)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1)N1CCOCC1 ZINC000662355337 1073561732 /nfs/dbraw/zinc/56/17/32/1073561732.db2.gz GUCHHYMYKRZRTK-UHFFFAOYSA-N 0 3 392.481 -0.463 20 0 GBADHN O=C(C[C@@H]1NCc2ccccc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000662355376 1073561572 /nfs/dbraw/zinc/56/15/72/1073561572.db2.gz IFFNBIXQCYEWRN-KRWDZBQOSA-N 0 3 386.452 -0.249 20 0 GBADHN O=C(C[C@H]1NCc2ccccc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000662355379 1073562192 /nfs/dbraw/zinc/56/21/92/1073562192.db2.gz IFFNBIXQCYEWRN-QGZVFWFLSA-N 0 3 386.452 -0.249 20 0 GBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc4c3CNC4)CC2)CC1 ZINC000662382710 1073563222 /nfs/dbraw/zinc/56/32/22/1073563222.db2.gz ASHQWEKSSJFIJY-UHFFFAOYSA-N 0 3 393.513 -0.460 20 0 GBADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662396917 1073563072 /nfs/dbraw/zinc/56/30/72/1073563072.db2.gz PIJQFEBKMZETNX-UHFFFAOYSA-N 0 3 390.465 -0.173 20 0 GBADHN O=C(c1cccc2c1CNC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662495557 1073571993 /nfs/dbraw/zinc/57/19/93/1073571993.db2.gz NUFLQTAEDCZTAL-UHFFFAOYSA-N 0 3 380.470 -0.375 20 0 GBADHN O=C(C[C@@H]1NCc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662496392 1073571958 /nfs/dbraw/zinc/57/19/58/1073571958.db2.gz ZFEMDBGKJIOTRF-KRWDZBQOSA-N 0 3 394.497 -0.058 20 0 GBADHN O=C(C[C@H]1NCc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662496393 1073571468 /nfs/dbraw/zinc/57/14/68/1073571468.db2.gz ZFEMDBGKJIOTRF-QGZVFWFLSA-N 0 3 394.497 -0.058 20 0 GBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)CC1 ZINC000662500980 1073572393 /nfs/dbraw/zinc/57/23/93/1073572393.db2.gz VFIZLKXYFHLDPK-UHFFFAOYSA-N 0 3 385.534 -0.716 20 0 GBADHN O=C(C[C@@H]1NCc2ccccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000662528236 1073574512 /nfs/dbraw/zinc/57/45/12/1073574512.db2.gz LUZSIJLAMRIBPI-BBWFWOEESA-N 0 3 379.482 -0.477 20 0 GBADHN O=C(C[C@@H]1NCc2ccccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000662528237 1073574492 /nfs/dbraw/zinc/57/44/92/1073574492.db2.gz LUZSIJLAMRIBPI-GVDBMIGSSA-N 0 3 379.482 -0.477 20 0 GBADHN O=C(C[C@@H]1NCc2ccccc21)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000662528238 1073574382 /nfs/dbraw/zinc/57/43/82/1073574382.db2.gz LUZSIJLAMRIBPI-ULQDDVLXSA-N 0 3 379.482 -0.477 20 0 GBADHN O=C(C[C@@H]1NCc2ccccc21)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000662528239 1073574236 /nfs/dbraw/zinc/57/42/36/1073574236.db2.gz LUZSIJLAMRIBPI-YESZJQIVSA-N 0 3 379.482 -0.477 20 0 GBADHN Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000662685567 1073581911 /nfs/dbraw/zinc/58/19/11/1073581911.db2.gz VABCJIQODFHHTC-AWEZNQCLSA-N 0 3 379.442 -0.002 20 0 GBADHN Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000662685568 1073581957 /nfs/dbraw/zinc/58/19/57/1073581957.db2.gz VABCJIQODFHHTC-CQSZACIVSA-N 0 3 379.442 -0.002 20 0 GBADHN Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cn1 ZINC000662686741 1073582670 /nfs/dbraw/zinc/58/26/70/1073582670.db2.gz PROYBDOCLOVNQL-HNNXBMFYSA-N 0 3 379.442 -0.002 20 0 GBADHN Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cn1 ZINC000662686744 1073582897 /nfs/dbraw/zinc/58/28/97/1073582897.db2.gz PROYBDOCLOVNQL-OAHLLOKOSA-N 0 3 379.442 -0.002 20 0 GBADHN NC1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC2(CCC2)C1 ZINC000662739573 1073419651 /nfs/dbraw/zinc/41/96/51/1073419651.db2.gz RFBJPLCSZVLUOZ-AWEZNQCLSA-N 0 3 398.529 -0.905 20 0 GBADHN NC1(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC2(CCC2)C1 ZINC000662739576 1073419637 /nfs/dbraw/zinc/41/96/37/1073419637.db2.gz RFBJPLCSZVLUOZ-CQSZACIVSA-N 0 3 398.529 -0.905 20 0 GBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000662745062 1073419488 /nfs/dbraw/zinc/41/94/88/1073419488.db2.gz DCNWRLSEJQIZFF-ZIAGYGMSSA-N 0 3 386.449 -0.436 20 0 GBADHN N[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC[C@H]1F ZINC000662747011 1073420609 /nfs/dbraw/zinc/42/06/09/1073420609.db2.gz PYARZRJUXLJZGR-ZIAGYGMSSA-N 0 3 384.433 -0.682 20 0 GBADHN Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@@H](F)[C@H](N)C3)nc2n(C)c1=O ZINC000662748427 1073420157 /nfs/dbraw/zinc/42/01/57/1073420157.db2.gz UBCQWSDTBNTHAI-GHMZBOCLSA-N 0 3 378.408 -0.112 20 0 GBADHN CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662750073 1073421178 /nfs/dbraw/zinc/42/11/78/1073421178.db2.gz PDRMUYZYVGFQTJ-UHFFFAOYSA-N 0 3 379.442 -0.202 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000662750110 1073421241 /nfs/dbraw/zinc/42/12/41/1073421241.db2.gz PUCXOQQNYLGKDD-KBPBESRZSA-N 0 3 375.429 -0.302 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000662750111 1073421003 /nfs/dbraw/zinc/42/10/03/1073421003.db2.gz PUCXOQQNYLGKDD-KGLIPLIRSA-N 0 3 375.429 -0.302 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC000662750112 1073421159 /nfs/dbraw/zinc/42/11/59/1073421159.db2.gz PUCXOQQNYLGKDD-UONOGXRCSA-N 0 3 375.429 -0.302 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC000662750114 1073420962 /nfs/dbraw/zinc/42/09/62/1073420962.db2.gz PUCXOQQNYLGKDD-ZIAGYGMSSA-N 0 3 375.429 -0.302 20 0 GBADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662750145 1073421146 /nfs/dbraw/zinc/42/11/46/1073421146.db2.gz QOLFMIUWJZWEAJ-CYBMUJFWSA-N 0 3 383.416 -0.455 20 0 GBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662750399 1073421111 /nfs/dbraw/zinc/42/11/11/1073421111.db2.gz QOLFMIUWJZWEAJ-ZDUSSCGKSA-N 0 3 383.416 -0.455 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCNS(=O)(=O)c2ccccc2F)n1 ZINC000662750495 1073420728 /nfs/dbraw/zinc/42/07/28/1073420728.db2.gz TVTRTCPYIIGUOG-UHFFFAOYSA-N 0 3 383.405 -0.235 20 0 GBADHN CN1C(=O)N(CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(=O)C12CCCCC2 ZINC000662751640 1073420626 /nfs/dbraw/zinc/42/06/26/1073420626.db2.gz AVHNPOOLYDBLGP-UHFFFAOYSA-N 0 3 376.417 -0.146 20 0 GBADHN COCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662751647 1073421288 /nfs/dbraw/zinc/42/12/88/1073421288.db2.gz BAXNUZAYMNIBJP-UHFFFAOYSA-N 0 3 395.441 -0.504 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662751666 1073421018 /nfs/dbraw/zinc/42/10/18/1073421018.db2.gz BGJZXDRVZZRQHV-NSHDSACASA-N 0 3 379.442 -0.067 20 0 GBADHN CCc1c(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000662751885 1073422195 /nfs/dbraw/zinc/42/21/95/1073422195.db2.gz VQTXTOAURXAGRK-UHFFFAOYSA-N 0 3 399.411 -0.921 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000662751892 1073422275 /nfs/dbraw/zinc/42/22/75/1073422275.db2.gz VUNSJNQBUDNOCQ-UHFFFAOYSA-N 0 3 399.455 -0.219 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751894 1073422284 /nfs/dbraw/zinc/42/22/84/1073422284.db2.gz VXMYDOOBDATMKD-VIFPVBQESA-N 0 3 383.405 -0.237 20 0 GBADHN COCCS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662752310 1073422245 /nfs/dbraw/zinc/42/22/45/1073422245.db2.gz HRPUCWONSRSKPJ-UHFFFAOYSA-N 0 3 380.426 -0.009 20 0 GBADHN COCCNS(=O)(=O)c1cccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662752704 1073421759 /nfs/dbraw/zinc/42/17/59/1073421759.db2.gz JQOJBNPYYFUUOL-UHFFFAOYSA-N 0 3 395.441 -0.504 20 0 GBADHN CS(=O)(=O)N1CCc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc21 ZINC000662753004 1073422080 /nfs/dbraw/zinc/42/20/80/1073422080.db2.gz NMQTWNBTZATPDY-UHFFFAOYSA-N 0 3 377.426 -0.107 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)n1 ZINC000662753011 1073422040 /nfs/dbraw/zinc/42/20/40/1073422040.db2.gz NPOXNADJHZJXNT-UHFFFAOYSA-N 0 3 383.405 -0.235 20 0 GBADHN CS(=O)(=O)NCCc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753883 1073421686 /nfs/dbraw/zinc/42/16/86/1073421686.db2.gz YJRZCENYODNAOX-UHFFFAOYSA-N 0 3 379.442 -0.337 20 0 GBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2=O ZINC000662754172 1073421740 /nfs/dbraw/zinc/42/17/40/1073421740.db2.gz FXERNIDHFQRUFB-BMLIUANNSA-N 0 3 376.417 -0.242 20 0 GBADHN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2=O ZINC000662754173 1073422150 /nfs/dbraw/zinc/42/21/50/1073422150.db2.gz FXERNIDHFQRUFB-BTDLBPIBSA-N 0 3 376.417 -0.242 20 0 GBADHN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2=O ZINC000662754174 1073422060 /nfs/dbraw/zinc/42/20/60/1073422060.db2.gz FXERNIDHFQRUFB-DYZYQPBXSA-N 0 3 376.417 -0.242 20 0 GBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2=O ZINC000662754175 1073422208 /nfs/dbraw/zinc/42/22/08/1073422208.db2.gz FXERNIDHFQRUFB-QGHHPUGFSA-N 0 3 376.417 -0.242 20 0 GBADHN CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2=O ZINC000662755199 1073422224 /nfs/dbraw/zinc/42/22/24/1073422224.db2.gz XIXQXSWMQLIMPG-UHFFFAOYSA-N 0 3 376.417 -0.242 20 0 GBADHN COc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1S(=O)(=O)N(C)C ZINC000662755362 1073422376 /nfs/dbraw/zinc/42/23/76/1073422376.db2.gz YQMRGULEOMFFLW-UHFFFAOYSA-N 0 3 395.441 -0.170 20 0 GBADHN NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2)[nH]1 ZINC000662772704 1073424530 /nfs/dbraw/zinc/42/45/30/1073424530.db2.gz OZMGDLBFCVJTEP-LLVKDONJSA-N 0 3 379.446 -0.216 20 0 GBADHN NCc1nnc(-c2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2)[nH]1 ZINC000662772705 1073424708 /nfs/dbraw/zinc/42/47/08/1073424708.db2.gz OZMGDLBFCVJTEP-NSHDSACASA-N 0 3 379.446 -0.216 20 0 GBADHN CC(C)OC[C@H](N)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000662791938 1073428015 /nfs/dbraw/zinc/42/80/15/1073428015.db2.gz TZQWWWGPQQOKTM-KRWDZBQOSA-N 0 3 383.537 -0.565 20 0 GBADHN Cn1cc(C(=O)NC[C@H]2CNCCO2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000662816639 1073430266 /nfs/dbraw/zinc/43/02/66/1073430266.db2.gz XQQSPURUYQELIB-GFCCVEGCSA-N 0 3 383.408 -0.066 20 0 GBADHN Cn1cc(C(=O)NC[C@@H]2CNCCO2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000662816641 1073430383 /nfs/dbraw/zinc/43/03/83/1073430383.db2.gz XQQSPURUYQELIB-LBPRGKRZSA-N 0 3 383.408 -0.066 20 0 GBADHN CCc1c(C(=O)Nc2nn(C)c(C)c2CN)cnc2c1c(=O)n(C)c(=O)n2C ZINC000662834929 1073434156 /nfs/dbraw/zinc/43/41/56/1073434156.db2.gz DBBBTSVNRIOMOY-UHFFFAOYSA-N 0 3 385.428 -0.052 20 0 GBADHN Cc1c(CN)c(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1C ZINC000662835779 1073433894 /nfs/dbraw/zinc/43/38/94/1073433894.db2.gz OLGPGFIMKXUNCC-HNNXBMFYSA-N 0 3 378.477 -0.161 20 0 GBADHN Cc1c(CN)c(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)nn1C ZINC000662835780 1073434195 /nfs/dbraw/zinc/43/41/95/1073434195.db2.gz OLGPGFIMKXUNCC-OAHLLOKOSA-N 0 3 378.477 -0.161 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)CC(C)(C)[NH3+])s1 ZINC000662845856 530157040 /nfs/dbraw/zinc/15/70/40/530157040.db2.gz XNPYIIYUWCCCLW-UHFFFAOYSA-N 0 3 376.504 -0.142 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662851367 1073438976 /nfs/dbraw/zinc/43/89/76/1073438976.db2.gz VYGNIRBPYRAINA-UXLLHSPISA-N 0 3 386.452 -0.271 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC3CC2(C[NH3+])C3)s1 ZINC000662877044 530159663 /nfs/dbraw/zinc/15/96/63/530159663.db2.gz OFHLPNRGXZLNRP-UHFFFAOYSA-N 0 3 386.499 -0.388 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC23CC(C2)C[NH2+]3)s1 ZINC000662922612 530160462 /nfs/dbraw/zinc/16/04/62/530160462.db2.gz LQAAMSOYPISWGM-UHFFFAOYSA-N 0 3 386.499 -0.469 20 0 GBADHN N[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC[C@H]1F ZINC000662929069 1073472415 /nfs/dbraw/zinc/47/24/15/1073472415.db2.gz YJPNPUBZQHHBEZ-CHWSQXEVSA-N 0 3 398.401 -0.003 20 0 GBADHN CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)CC1 ZINC000662931991 1073473271 /nfs/dbraw/zinc/47/32/71/1073473271.db2.gz LHMNJISJLPEFAP-HZPDHXFCSA-N 0 3 397.495 -0.713 20 0 GBADHN N[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC[C@H]1F ZINC000662944641 1073479270 /nfs/dbraw/zinc/47/92/70/1073479270.db2.gz OVPKPFHISSMLDR-ZIAGYGMSSA-N 0 3 386.449 -0.318 20 0 GBADHN NC(=O)CC[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)N1C(=O)c2ccccc2C1=O ZINC000662944660 1073478815 /nfs/dbraw/zinc/47/88/15/1073478815.db2.gz PIMGBQUKBRNGPR-MCIONIFRSA-N 0 3 376.388 -0.186 20 0 GBADHN NC(=O)CC[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)N1C(=O)c2ccccc2C1=O ZINC000662944661 1073479307 /nfs/dbraw/zinc/47/93/07/1073479307.db2.gz PIMGBQUKBRNGPR-MGPQQGTHSA-N 0 3 376.388 -0.186 20 0 GBADHN N[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662944688 1073480337 /nfs/dbraw/zinc/48/03/37/1073480337.db2.gz PZJGLCZFJKXQLG-KJWHEZOQSA-N 0 3 389.493 -0.006 20 0 GBADHN N[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662944689 1073480022 /nfs/dbraw/zinc/48/00/22/1073480022.db2.gz PZJGLCZFJKXQLG-NJVJYBDUSA-N 0 3 389.493 -0.006 20 0 GBADHN N[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662944690 1073480032 /nfs/dbraw/zinc/48/00/32/1073480032.db2.gz PZJGLCZFJKXQLG-VQJWOFKYSA-N 0 3 389.493 -0.006 20 0 GBADHN N[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662944691 1073479999 /nfs/dbraw/zinc/47/99/99/1073479999.db2.gz PZJGLCZFJKXQLG-XLWJZTARSA-N 0 3 389.493 -0.006 20 0 GBADHN N[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[C@H]1F ZINC000662944771 1073479338 /nfs/dbraw/zinc/47/93/38/1073479338.db2.gz SQDKSWLKWWESQP-LERXQTSPSA-N 0 3 384.433 -0.415 20 0 GBADHN N[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[C@H]1F ZINC000662944772 1073479063 /nfs/dbraw/zinc/47/90/63/1073479063.db2.gz SQDKSWLKWWESQP-ZLKJLUDKSA-N 0 3 384.433 -0.415 20 0 GBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](F)[C@H](N)C2)s1 ZINC000662944810 530160434 /nfs/dbraw/zinc/16/04/34/530160434.db2.gz ULMZPVPXCHFTMY-VXGBXAGGSA-N 0 3 392.478 -0.440 20 0 GBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662944924 1073477979 /nfs/dbraw/zinc/47/79/79/1073477979.db2.gz BGJZXDRVZZRQHV-LLVKDONJSA-N 0 3 379.442 -0.067 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662945116 1073480905 /nfs/dbraw/zinc/48/09/05/1073480905.db2.gz FTVGQFDMKBQMJG-UHFFFAOYSA-N 0 3 379.442 -0.066 20 0 GBADHN COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1OC ZINC000662945274 530160482 /nfs/dbraw/zinc/16/04/82/530160482.db2.gz LMRSWEQXFWNJNW-VXGBXAGGSA-N 0 3 375.422 -0.120 20 0 GBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662945539 1073479357 /nfs/dbraw/zinc/47/93/57/1073479357.db2.gz DSYSHDAOZMCJQR-UHFFFAOYSA-N 0 3 393.425 -0.562 20 0 GBADHN Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1C ZINC000662945639 1073478140 /nfs/dbraw/zinc/47/81/40/1073478140.db2.gz GEFMGPIWIRWTIU-UHFFFAOYSA-N 0 3 379.442 -0.148 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)n1 ZINC000662945658 1073477986 /nfs/dbraw/zinc/47/79/86/1073477986.db2.gz GNAOLBKFDQOYEN-UHFFFAOYSA-N 0 3 383.368 -0.284 20 0 GBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662945668 1073477853 /nfs/dbraw/zinc/47/78/53/1073477853.db2.gz GPFKVKGPPMPXMI-UHFFFAOYSA-N 0 3 393.425 -0.562 20 0 GBADHN Cn1c2nc(C3CC3)cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c2c(=O)[nH]c1=O ZINC000662945858 1073477892 /nfs/dbraw/zinc/47/78/92/1073477892.db2.gz KGHWTJQPOMDHNP-UHFFFAOYSA-N 0 3 397.395 -0.204 20 0 GBADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662946571 1073480154 /nfs/dbraw/zinc/48/01/54/1073480154.db2.gz XAOCPZHQNWUESM-UHFFFAOYSA-N 0 3 379.442 -0.148 20 0 GBADHN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662946743 1073481278 /nfs/dbraw/zinc/48/12/78/1073481278.db2.gz YSOXGEHMXDYKDG-UHFFFAOYSA-N 0 3 393.469 -0.094 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)C[C@H]21 ZINC000662953671 1073483656 /nfs/dbraw/zinc/48/36/56/1073483656.db2.gz OEVZBGRIJAIBTE-XHSDSOJGSA-N 0 3 395.481 -0.756 20 0 GBADHN O=C(C(=O)N1CCCNCC1)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662956767 1073485746 /nfs/dbraw/zinc/48/57/46/1073485746.db2.gz ZLBXRMIXVHUKLG-IYBDPMFKSA-N 0 3 384.436 -0.548 20 0 GBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@](O)(C4CC4)C3)C2)nn1 ZINC000662959068 1073486340 /nfs/dbraw/zinc/48/63/40/1073486340.db2.gz DUAVDNXQCMVIGK-CRAIPNDOSA-N 0 3 376.461 -0.336 20 0 GBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCC[C@](O)(C4CC4)C3)C2)nn1 ZINC000662959069 1073486449 /nfs/dbraw/zinc/48/64/49/1073486449.db2.gz DUAVDNXQCMVIGK-MAUKXSAKSA-N 0 3 376.461 -0.336 20 0 GBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@](O)(C4CC4)C3)C2)nn1 ZINC000662959071 1073486130 /nfs/dbraw/zinc/48/61/30/1073486130.db2.gz DUAVDNXQCMVIGK-QAPCUYQASA-N 0 3 376.461 -0.336 20 0 GBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCC[C@@](O)(C4CC4)C3)C2)nn1 ZINC000662959075 1073486388 /nfs/dbraw/zinc/48/63/88/1073486388.db2.gz DUAVDNXQCMVIGK-YJBOKZPZSA-N 0 3 376.461 -0.336 20 0 GBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662971075 1073488555 /nfs/dbraw/zinc/48/85/55/1073488555.db2.gz BSHKANFRNZYLJC-BMFZPTHFSA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662971076 1073488492 /nfs/dbraw/zinc/48/84/92/1073488492.db2.gz BSHKANFRNZYLJC-FVQBIDKESA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662971077 1073488568 /nfs/dbraw/zinc/48/85/68/1073488568.db2.gz BSHKANFRNZYLJC-KBMXLJTQSA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662971078 1073488438 /nfs/dbraw/zinc/48/84/38/1073488438.db2.gz BSHKANFRNZYLJC-VNQPRFMTSA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)[C@H]1CCO ZINC000662973464 1073488645 /nfs/dbraw/zinc/48/86/45/1073488645.db2.gz ZOKTXSIMXOWGEX-BMFZPTHFSA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)[C@@H]1CCO ZINC000662973465 1073489376 /nfs/dbraw/zinc/48/93/76/1073489376.db2.gz ZOKTXSIMXOWGEX-FVQBIDKESA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)[C@H]1CCO ZINC000662973467 1073489321 /nfs/dbraw/zinc/48/93/21/1073489321.db2.gz ZOKTXSIMXOWGEX-KBMXLJTQSA-N 0 3 378.477 -0.090 20 0 GBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)[C@@H]1CCO ZINC000662973469 1073489271 /nfs/dbraw/zinc/48/92/71/1073489271.db2.gz ZOKTXSIMXOWGEX-VNQPRFMTSA-N 0 3 378.477 -0.090 20 0 GBADHN CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)C[C@H]1C(F)(F)F ZINC000662975812 530160474 /nfs/dbraw/zinc/16/04/74/530160474.db2.gz KEHBCNQYZDRXGQ-LIVJGEBJSA-N 0 3 383.392 -0.630 20 0 GBADHN C[C@H](NC1CCN([C@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305519 1073556344 /nfs/dbraw/zinc/55/63/44/1073556344.db2.gz ZWABRCALOSQGHL-AAEUAGOBSA-N 0 3 379.461 -0.920 20 0 GBADHN C[C@@H](NC1CCN([C@@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305522 1073556515 /nfs/dbraw/zinc/55/65/15/1073556515.db2.gz ZWABRCALOSQGHL-DGCLKSJQSA-N 0 3 379.461 -0.920 20 0 GBADHN C[C@H](NC1CCN([C@@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305524 1073556302 /nfs/dbraw/zinc/55/63/02/1073556302.db2.gz ZWABRCALOSQGHL-WCQYABFASA-N 0 3 379.461 -0.920 20 0 GBADHN C[C@@H](NC1CCN([C@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305526 1073556368 /nfs/dbraw/zinc/55/63/68/1073556368.db2.gz ZWABRCALOSQGHL-YPMHNXCESA-N 0 3 379.461 -0.920 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000663407357 1073581570 /nfs/dbraw/zinc/58/15/70/1073581570.db2.gz FPIILDWWCRTBIX-UHFFFAOYSA-N 0 3 385.490 -0.505 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000663447999 1073589867 /nfs/dbraw/zinc/58/98/67/1073589867.db2.gz YOGCTKJAIDIVOC-INIZCTEOSA-N 0 3 383.518 -0.049 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000663448001 1073589645 /nfs/dbraw/zinc/58/96/45/1073589645.db2.gz YOGCTKJAIDIVOC-MRXNPFEDSA-N 0 3 383.518 -0.049 20 0 GBADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(CNC3)C2)cc1OC ZINC000663482539 1073595668 /nfs/dbraw/zinc/59/56/68/1073595668.db2.gz APNLSKHDPGZUKR-UHFFFAOYSA-N 0 3 399.469 -0.427 20 0 GBADHN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOC2(CNC2)C1 ZINC000663482654 1073595766 /nfs/dbraw/zinc/59/57/66/1073595766.db2.gz BWEBCZDWKZILOE-UHFFFAOYSA-N 0 3 381.454 -0.478 20 0 GBADHN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOC2(CNC2)C1 ZINC000663482906 1073595242 /nfs/dbraw/zinc/59/52/42/1073595242.db2.gz HZZJHBALNRMKQU-UHFFFAOYSA-N 0 3 381.454 -0.478 20 0 GBADHN COc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1S(=O)(=O)NC1CC1 ZINC000663483223 1073595505 /nfs/dbraw/zinc/59/55/05/1073595505.db2.gz BOCYDPZHRFYMEO-UHFFFAOYSA-N 0 3 381.454 -0.050 20 0 GBADHN O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCOC2(CNC2)C1 ZINC000663483325 1073595570 /nfs/dbraw/zinc/59/55/70/1073595570.db2.gz DBPQUIQXARDJRR-HNNXBMFYSA-N 0 3 395.481 -0.042 20 0 GBADHN O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCOC2(CNC2)C1 ZINC000663483328 1073595692 /nfs/dbraw/zinc/59/56/92/1073595692.db2.gz DBPQUIQXARDJRR-OAHLLOKOSA-N 0 3 395.481 -0.042 20 0 GBADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOC3(CNC3)C2)c1 ZINC000663483874 1073595803 /nfs/dbraw/zinc/59/58/03/1073595803.db2.gz JYQVSOONZWUULJ-UHFFFAOYSA-N 0 3 383.470 -0.266 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000663484853 1073596237 /nfs/dbraw/zinc/59/62/37/1073596237.db2.gz VYSVMCFYBOJMPV-AWEZNQCLSA-N 0 3 398.485 -0.107 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000663484854 1073596788 /nfs/dbraw/zinc/59/67/88/1073596788.db2.gz VYSVMCFYBOJMPV-CQSZACIVSA-N 0 3 398.485 -0.107 20 0 GBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCOC3(CNC3)C2)c1 ZINC000663485073 1073596330 /nfs/dbraw/zinc/59/63/30/1073596330.db2.gz MGPJEJKWOXISTP-UHFFFAOYSA-N 0 3 398.485 -0.920 20 0 GBADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCOC2(CNC2)C1 ZINC000663485108 530161273 /nfs/dbraw/zinc/16/12/73/530161273.db2.gz YFDIHLCSXYYAKY-UHFFFAOYSA-N 0 3 375.397 -0.166 20 0 GBADHN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663485215 1073596388 /nfs/dbraw/zinc/59/63/88/1073596388.db2.gz NTEYZWKAMFUPFI-UHFFFAOYSA-N 0 3 383.470 -0.046 20 0 GBADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663485326 1073596302 /nfs/dbraw/zinc/59/63/02/1073596302.db2.gz PPQOIUQMYZYNRB-UHFFFAOYSA-N 0 3 381.454 -0.242 20 0 GBADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663485539 1073597688 /nfs/dbraw/zinc/59/76/88/1073597688.db2.gz UUQSKNPSLCJHSP-LBPRGKRZSA-N 0 3 396.469 -0.487 20 0 GBADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663485720 1073597895 /nfs/dbraw/zinc/59/78/95/1073597895.db2.gz XHQSBRMSMJCDRH-UHFFFAOYSA-N 0 3 396.469 -0.534 20 0 GBADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCOC3(CNC3)C2)c1 ZINC000663486117 1073596658 /nfs/dbraw/zinc/59/66/58/1073596658.db2.gz URXLNDQDECTOFO-UHFFFAOYSA-N 0 3 381.454 -0.242 20 0 GBADHN O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCOC2(CNC2)C1 ZINC000663487563 1073597815 /nfs/dbraw/zinc/59/78/15/1073597815.db2.gz HBLYLTCSEAIJBK-UHFFFAOYSA-N 0 3 379.482 -0.269 20 0 GBADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCOC2(CNC2)C1 ZINC000663488513 530161127 /nfs/dbraw/zinc/16/11/27/530161127.db2.gz RKZGDGZMWJMTQT-UHFFFAOYSA-N 0 3 386.499 -0.433 20 0 GBADHN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[n-]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488513 530161125 /nfs/dbraw/zinc/16/11/25/530161125.db2.gz RKZGDGZMWJMTQT-UHFFFAOYSA-N 0 3 386.499 -0.433 20 0 GBADHN O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCOC2(CNC2)C1 ZINC000663488765 1073598985 /nfs/dbraw/zinc/59/89/85/1073598985.db2.gz YGQGQJNGKNXJFB-INIZCTEOSA-N 0 3 399.451 -0.263 20 0 GBADHN O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCOC2(CNC2)C1 ZINC000663488767 1073598828 /nfs/dbraw/zinc/59/88/28/1073598828.db2.gz YGQGQJNGKNXJFB-MRXNPFEDSA-N 0 3 399.451 -0.263 20 0 GBADHN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1CCOC2(CNC2)C1 ZINC000663489547 1073598485 /nfs/dbraw/zinc/59/84/85/1073598485.db2.gz SPLWFNQXEVJEIT-KRWDZBQOSA-N 0 3 384.436 -0.337 20 0 GBADHN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N1CCOC2(CNC2)C1 ZINC000663489548 1073598387 /nfs/dbraw/zinc/59/83/87/1073598387.db2.gz SPLWFNQXEVJEIT-QGZVFWFLSA-N 0 3 384.436 -0.337 20 0 GBADHN O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCOC2(CNC2)C1 ZINC000663490726 530161049 /nfs/dbraw/zinc/16/10/49/530161049.db2.gz ASSSAGTYFVECOA-UHFFFAOYSA-N 0 3 387.483 -0.417 20 0 GBADHN Cn1c2ccc(NC(=O)CCC(=O)N3CCOC4(CNC4)C3)nc2n(C)c1=O ZINC000663490755 1073598636 /nfs/dbraw/zinc/59/86/36/1073598636.db2.gz HIMJALDLYNOXRN-UHFFFAOYSA-N 0 3 388.428 -0.809 20 0 GBADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOC2(CNC2)C1 ZINC000663492214 1073598288 /nfs/dbraw/zinc/59/82/88/1073598288.db2.gz PCPTYVRGTUMZAB-UHFFFAOYSA-N 0 3 395.481 -0.170 20 0 GBADHN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCOC2(CNC2)C1 ZINC000663494880 1073599602 /nfs/dbraw/zinc/59/96/02/1073599602.db2.gz YLNKYIVLCZYVBX-UHFFFAOYSA-N 0 3 382.380 -0.097 20 0 GBADHN Cc1c(N2CCN(C[C@@H](C)O)CC2)ncnc1N1CCN(C[C@H](C)O)CC1 ZINC000663540154 1073608462 /nfs/dbraw/zinc/60/84/62/1073608462.db2.gz RYAOWAXUGYSQCL-IYBDPMFKSA-N 0 3 378.521 -0.209 20 0 GBADHN NS(=O)(=O)c1ccc2[nH]c(N3CCN(C(=O)CN4CCCC4)CC3)nc2c1 ZINC000663540992 1073609928 /nfs/dbraw/zinc/60/99/28/1073609928.db2.gz YIVRKJWSBFXELZ-UHFFFAOYSA-N 0 3 392.485 -0.045 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663546714 530161916 /nfs/dbraw/zinc/16/19/16/530161916.db2.gz KGGKOTAYDKXKJJ-UHFFFAOYSA-N 0 3 377.511 -0.928 20 0 GBADHN CN(C)[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000663550369 1073610600 /nfs/dbraw/zinc/61/06/00/1073610600.db2.gz QEHPVXNDMDUXKK-IRXDYDNUSA-N 0 3 376.457 -0.025 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@@](C)(C(F)F)O1 ZINC000663562099 1073612556 /nfs/dbraw/zinc/61/25/56/1073612556.db2.gz RALZCKPPYRXBET-PXAZEXFGSA-N 0 3 390.431 -0.510 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@@](C)(C(F)F)O1 ZINC000663562100 1073612531 /nfs/dbraw/zinc/61/25/31/1073612531.db2.gz RALZCKPPYRXBET-SJCJKPOMSA-N 0 3 390.431 -0.510 20 0 GBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@](C)(C(F)F)O1 ZINC000663562101 1073612616 /nfs/dbraw/zinc/61/26/16/1073612616.db2.gz RALZCKPPYRXBET-SJKOYZFVSA-N 0 3 390.431 -0.510 20 0 GBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C[C@](C)(C(F)F)O1 ZINC000663562102 1073612848 /nfs/dbraw/zinc/61/28/48/1073612848.db2.gz RALZCKPPYRXBET-YVEFUNNKSA-N 0 3 390.431 -0.510 20 0 GBADHN CCS(=O)(=O)N1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663562179 1073614052 /nfs/dbraw/zinc/61/40/52/1073614052.db2.gz GPIZBEFAZPBUID-UHFFFAOYSA-N 0 3 391.538 -0.538 20 0 GBADHN CN(C)[C@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1O ZINC000663565494 1073614037 /nfs/dbraw/zinc/61/40/37/1073614037.db2.gz VQIZIARGNXKZBB-KBPBESRZSA-N 0 3 381.477 -0.053 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000663566623 1073614751 /nfs/dbraw/zinc/61/47/51/1073614751.db2.gz MBXBQNFNNQVLKF-UHFFFAOYSA-N 0 3 399.517 -0.374 20 0 GBADHN C[C@@H]1CN(C(=O)NC2CCN(CCN(C)C)CC2)CCN1S(C)(=O)=O ZINC000663578561 530161921 /nfs/dbraw/zinc/16/19/21/530161921.db2.gz FXDLXDWHGSGODV-CQSZACIVSA-N 0 3 375.539 -0.312 20 0 GBADHN 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393.492 -0.505 20 0 GBADHN C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000664262091 1072318436 /nfs/dbraw/zinc/31/84/36/1072318436.db2.gz CTKQAPOXJUEZOB-DZGCQCFKSA-N 0 3 393.492 -0.425 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000664262093 1072318319 /nfs/dbraw/zinc/31/83/19/1072318319.db2.gz CTKQAPOXJUEZOB-HIFRSBDPSA-N 0 3 393.492 -0.425 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000664262094 1072318363 /nfs/dbraw/zinc/31/83/63/1072318363.db2.gz CTKQAPOXJUEZOB-UKRRQHHQSA-N 0 3 393.492 -0.425 20 0 GBADHN C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000664262097 1072318393 /nfs/dbraw/zinc/31/83/93/1072318393.db2.gz CTKQAPOXJUEZOB-ZFWWWQNUSA-N 0 3 393.492 -0.425 20 0 GBADHN Cn1ncnc1C(=O)NCCN(CCN1CCCCC1)C(=O)c1ncnn1C ZINC000664270388 1072338557 /nfs/dbraw/zinc/33/85/57/1072338557.db2.gz FYEPRMAANSIQCG-UHFFFAOYSA-N 0 3 389.464 -0.698 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000664302413 1072428752 /nfs/dbraw/zinc/42/87/52/1072428752.db2.gz CWBHAQUCPVXFCE-UHFFFAOYSA-N 0 3 391.538 -0.333 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000664306973 1072433233 /nfs/dbraw/zinc/43/32/33/1072433233.db2.gz JKYGPSCJPYVOKI-ACJLOTCBSA-N 0 3 396.492 -0.632 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000664306980 1072433144 /nfs/dbraw/zinc/43/31/44/1072433144.db2.gz JKYGPSCJPYVOKI-FZKQIMNGSA-N 0 3 396.492 -0.632 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000664306985 1072432993 /nfs/dbraw/zinc/43/29/93/1072432993.db2.gz JKYGPSCJPYVOKI-SCLBCKFNSA-N 0 3 396.492 -0.632 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000664306991 1072433301 /nfs/dbraw/zinc/43/33/01/1072433301.db2.gz JKYGPSCJPYVOKI-UGSOOPFHSA-N 0 3 396.492 -0.632 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000664308783 1072437068 /nfs/dbraw/zinc/43/70/68/1072437068.db2.gz SWZIZGHHYDQRMX-HNNXBMFYSA-N 0 3 383.493 -0.572 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000664308784 1072436870 /nfs/dbraw/zinc/43/68/70/1072436870.db2.gz SWZIZGHHYDQRMX-OAHLLOKOSA-N 0 3 383.493 -0.572 20 0 GBADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000664310409 530164214 /nfs/dbraw/zinc/16/42/14/530164214.db2.gz FYUPZKRLRXTUOJ-HNNXBMFYSA-N 0 3 393.579 -0.006 20 0 GBADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000664310410 530164264 /nfs/dbraw/zinc/16/42/64/530164264.db2.gz FYUPZKRLRXTUOJ-OAHLLOKOSA-N 0 3 393.579 -0.006 20 0 GBADHN CC(C)S(=O)(=O)N1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664326202 530164006 /nfs/dbraw/zinc/16/40/06/530164006.db2.gz ZIQOMWKMTGPOPK-AJNGGQMLSA-N 0 3 376.523 -0.249 20 0 GBADHN CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000664326203 530163884 /nfs/dbraw/zinc/16/38/84/530163884.db2.gz ZIQOMWKMTGPOPK-KBXIAJHMSA-N 0 3 376.523 -0.249 20 0 GBADHN CC(C)S(=O)(=O)N1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000664326204 530164218 /nfs/dbraw/zinc/16/42/18/530164218.db2.gz ZIQOMWKMTGPOPK-QPSCCSFWSA-N 0 3 376.523 -0.249 20 0 GBADHN CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664326205 530164234 /nfs/dbraw/zinc/16/42/34/530164234.db2.gz ZIQOMWKMTGPOPK-XGUBFFRZSA-N 0 3 376.523 -0.249 20 0 GBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664405811 1072613159 /nfs/dbraw/zinc/61/31/59/1072613159.db2.gz OBJZMGAKQMLXGQ-GXTWGEPZSA-N 0 3 382.490 -0.092 20 0 GBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664405812 1072613390 /nfs/dbraw/zinc/61/33/90/1072613390.db2.gz OBJZMGAKQMLXGQ-JSGCOSHPSA-N 0 3 382.490 -0.092 20 0 GBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664405813 1072613384 /nfs/dbraw/zinc/61/33/84/1072613384.db2.gz OBJZMGAKQMLXGQ-OCCSQVGLSA-N 0 3 382.490 -0.092 20 0 GBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664405814 1072612784 /nfs/dbraw/zinc/61/27/84/1072612784.db2.gz OBJZMGAKQMLXGQ-TZMCWYRMSA-N 0 3 382.490 -0.092 20 0 GBADHN COCc1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC2 ZINC000664407377 1072613342 /nfs/dbraw/zinc/61/33/42/1072613342.db2.gz WXKBKGMGZXMWRX-CYBMUJFWSA-N 0 3 381.481 -0.599 20 0 GBADHN COCc1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC2 ZINC000664407378 1072612928 /nfs/dbraw/zinc/61/29/28/1072612928.db2.gz WXKBKGMGZXMWRX-ZDUSSCGKSA-N 0 3 381.481 -0.599 20 0 GBADHN COCCNc1nc(NC[C@@H]2CCC(=O)N2)nc(NC[C@@H]2CCC(=O)N2)n1 ZINC000664475415 1072671355 /nfs/dbraw/zinc/67/13/55/1072671355.db2.gz QGOGRUGUUNXSKC-QWRGUYRKSA-N 0 3 378.437 -0.689 20 0 GBADHN COCCC(=O)N1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000664476301 1072672416 /nfs/dbraw/zinc/67/24/16/1072672416.db2.gz ZFLOZQHGGTWHGD-UHFFFAOYSA-N 0 3 385.509 -0.325 20 0 GBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3nc(NCCO)nc(NC(C)C)n3)C[C@H]21 ZINC000664492893 1072701623 /nfs/dbraw/zinc/70/16/23/1072701623.db2.gz SGVZQZZDCJHXGG-TUAOUCFPSA-N 0 3 386.478 -0.656 20 0 GBADHN CN(C)[C@H]1CN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@@H]1O ZINC000664494242 530164782 /nfs/dbraw/zinc/16/47/82/530164782.db2.gz HPVBVFFFKLATJP-RYUDHWBXSA-N 0 3 376.504 -0.315 20 0 GBADHN Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(C)s1 ZINC000664495679 530165001 /nfs/dbraw/zinc/16/50/01/530165001.db2.gz COULGTWLCBLCGP-STQMWFEESA-N 0 3 390.531 -0.040 20 0 GBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 ZINC000664497727 530165020 /nfs/dbraw/zinc/16/50/20/530165020.db2.gz KZUKSRFJFRSETR-RYUDHWBXSA-N 0 3 376.504 -0.349 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521687 530165154 /nfs/dbraw/zinc/16/51/54/530165154.db2.gz ZAORTURKXNLDID-CYBMUJFWSA-N 0 3 377.511 -0.928 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000664564404 530164966 /nfs/dbraw/zinc/16/49/66/530164966.db2.gz SLXNKZZKYJUPRJ-UHFFFAOYSA-N 0 3 376.523 -0.137 20 0 GBADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000664600696 530165141 /nfs/dbraw/zinc/16/51/41/530165141.db2.gz XCFOLGVXXBRGSC-GJZGRUSLSA-N 0 3 376.523 -0.247 20 0 GBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1=O ZINC000664626054 1072809681 /nfs/dbraw/zinc/80/96/81/1072809681.db2.gz GCBSQKCZOGRJLO-UHFFFAOYSA-N 0 3 390.366 -0.390 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664627335 1072810256 /nfs/dbraw/zinc/81/02/56/1072810256.db2.gz MAFMKGFSWPRNHE-SECBINFHSA-N 0 3 390.366 -0.044 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664627688 1072811205 /nfs/dbraw/zinc/81/12/05/1072811205.db2.gz MAFMKGFSWPRNHE-VIFPVBQESA-N 0 3 390.366 -0.044 20 0 GBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000664723909 1072915768 /nfs/dbraw/zinc/91/57/68/1072915768.db2.gz DXCUZHQCEQWHJB-ILXRZTDVSA-N 0 3 399.513 -0.703 20 0 GBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000664723912 1072915673 /nfs/dbraw/zinc/91/56/73/1072915673.db2.gz DXCUZHQCEQWHJB-KFWWJZLASA-N 0 3 399.513 -0.703 20 0 GBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000664723916 1072915935 /nfs/dbraw/zinc/91/59/35/1072915935.db2.gz DXCUZHQCEQWHJB-QLFBSQMISA-N 0 3 399.513 -0.703 20 0 GBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000664723919 1072915829 /nfs/dbraw/zinc/91/58/29/1072915829.db2.gz DXCUZHQCEQWHJB-RBSFLKMASA-N 0 3 399.513 -0.703 20 0 GBADHN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCOC2(CNC2)C1 ZINC000664724440 1072915888 /nfs/dbraw/zinc/91/58/88/1072915888.db2.gz IQULHNJSFGVUKR-UHFFFAOYSA-N 0 3 376.457 -0.196 20 0 GBADHN Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000664725485 1072915819 /nfs/dbraw/zinc/91/58/19/1072915819.db2.gz KTSGWZOZRYIZDZ-UHFFFAOYSA-N 0 3 395.481 -0.170 20 0 GBADHN CC(=O)N[C@](C)(C(=O)N1CCOC2(CNC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000664725508 1072915384 /nfs/dbraw/zinc/91/53/84/1072915384.db2.gz BXHVIPPYMWQUSY-KRWDZBQOSA-N 0 3 395.481 -0.358 20 0 GBADHN CC(=O)N[C@@](C)(C(=O)N1CCOC2(CNC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000664725512 1072915968 /nfs/dbraw/zinc/91/59/68/1072915968.db2.gz BXHVIPPYMWQUSY-QGZVFWFLSA-N 0 3 395.481 -0.358 20 0 GBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000664725528 1072915725 /nfs/dbraw/zinc/91/57/25/1072915725.db2.gz CAKXFEHEGYGUIB-UHFFFAOYSA-N 0 3 382.442 -0.876 20 0 GBADHN O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCOC2(CNC2)C1 ZINC000664725899 1072917023 /nfs/dbraw/zinc/91/70/23/1072917023.db2.gz UIYXJSPWMPUIPJ-UHFFFAOYSA-N 0 3 381.454 -0.478 20 0 GBADHN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOC2(CNC2)C1 ZINC000664725963 1072917001 /nfs/dbraw/zinc/91/70/01/1072917001.db2.gz USZIKXVXKSGZJZ-UHFFFAOYSA-N 0 3 382.438 -0.178 20 0 GBADHN COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000664726150 1072916894 /nfs/dbraw/zinc/91/68/94/1072916894.db2.gz XLWUZPUMWADGOY-UHFFFAOYSA-N 0 3 375.425 -0.025 20 0 GBADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000664726875 1072916531 /nfs/dbraw/zinc/91/65/31/1072916531.db2.gz UUQSKNPSLCJHSP-GFCCVEGCSA-N 0 3 396.469 -0.487 20 0 GBADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000664727349 1072916640 /nfs/dbraw/zinc/91/66/40/1072916640.db2.gz FQRAHUIQJVAVTL-UHFFFAOYSA-N 0 3 396.469 -0.486 20 0 GBADHN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCOC2(CNC2)C1 ZINC000664727490 1072916490 /nfs/dbraw/zinc/91/64/90/1072916490.db2.gz KKAGPFPNYBWUFU-HNNXBMFYSA-N 0 3 395.481 -0.042 20 0 GBADHN O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCOC2(CNC2)C1 ZINC000664727491 1072916705 /nfs/dbraw/zinc/91/67/05/1072916705.db2.gz KKAGPFPNYBWUFU-OAHLLOKOSA-N 0 3 395.481 -0.042 20 0 GBADHN COc1ccc(S(=O)(=O)NCC(=O)N2CCOC3(CNC3)C2)cc1OC ZINC000664727557 1072917041 /nfs/dbraw/zinc/91/70/41/1072917041.db2.gz LZBCKWHDWWQXGR-UHFFFAOYSA-N 0 3 385.442 -0.817 20 0 GBADHN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCOC2(CNC2)C1 ZINC000664727695 1072917445 /nfs/dbraw/zinc/91/74/45/1072917445.db2.gz OHALLZCQEISFIT-UHFFFAOYSA-N 0 3 397.453 -0.673 20 0 GBADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC(=O)N1C ZINC000664745092 1072937352 /nfs/dbraw/zinc/93/73/52/1072937352.db2.gz IFPZTJMVXTUHNJ-XJIUQZFPSA-N 0 3 378.477 -0.375 20 0 GBADHN CN(C)[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C[C@@H]1O ZINC000664746045 530165511 /nfs/dbraw/zinc/16/55/11/530165511.db2.gz BUGJBQBWDFWGLO-KBPBESRZSA-N 0 3 376.523 -0.105 20 0 GBADHN COCCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000664749643 1072945242 /nfs/dbraw/zinc/94/52/42/1072945242.db2.gz NICKTZGEOCRALL-HOTGVXAUSA-N 0 3 385.486 -0.077 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000664756079 530165823 /nfs/dbraw/zinc/16/58/23/530165823.db2.gz TXTDGTDAJWPIHM-AWEZNQCLSA-N 0 3 377.511 -0.721 20 0 GBADHN CNS(=O)(=O)N1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000664756081 530165474 /nfs/dbraw/zinc/16/54/74/530165474.db2.gz TXTDGTDAJWPIHM-CQSZACIVSA-N 0 3 377.511 -0.721 20 0 GBADHN CN(C)[C@H]1CN(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C[C@@H]1O ZINC000664807250 1073012553 /nfs/dbraw/zinc/01/25/53/1073012553.db2.gz UKABKHDYMVMVLH-GJZGRUSLSA-N 0 3 388.465 -0.238 20 0 GBADHN C[NH+](C)[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@@H]1O ZINC000664814516 1073014891 /nfs/dbraw/zinc/01/48/91/1073014891.db2.gz GHXQDWVFCNVGNZ-STQMWFEESA-N 0 3 392.428 -0.441 20 0 GBADHN CN(C)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[C@@H]1O ZINC000664814516 1073014881 /nfs/dbraw/zinc/01/48/81/1073014881.db2.gz GHXQDWVFCNVGNZ-STQMWFEESA-N 0 3 392.428 -0.441 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832957 1073024265 /nfs/dbraw/zinc/02/42/65/1073024265.db2.gz MTTATYWEGMLVEP-KBPBESRZSA-N 0 3 391.538 -0.634 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832959 1073024195 /nfs/dbraw/zinc/02/41/95/1073024195.db2.gz MTTATYWEGMLVEP-KGLIPLIRSA-N 0 3 391.538 -0.634 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832960 1073024178 /nfs/dbraw/zinc/02/41/78/1073024178.db2.gz MTTATYWEGMLVEP-UONOGXRCSA-N 0 3 391.538 -0.634 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832962 1073024436 /nfs/dbraw/zinc/02/44/36/1073024436.db2.gz MTTATYWEGMLVEP-ZIAGYGMSSA-N 0 3 391.538 -0.634 20 0 GBADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C[C@@H]1O ZINC000664859599 1073050359 /nfs/dbraw/zinc/05/03/59/1073050359.db2.gz AWVFJKUODDHMFN-VWNJHIHFSA-N 0 3 376.461 -0.459 20 0 GBADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)cc1 ZINC000664869050 1073065058 /nfs/dbraw/zinc/06/50/58/1073065058.db2.gz ZXUMIECRHBXLAU-HOTGVXAUSA-N 0 3 398.485 -0.616 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000664887928 1073078283 /nfs/dbraw/zinc/07/82/83/1073078283.db2.gz 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CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000681077933 530197262 /nfs/dbraw/zinc/19/72/62/530197262.db2.gz VRWRURLFLTWABE-UHFFFAOYSA-N 0 3 376.504 -0.185 20 0 GBADHN CCN(CCO)CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000681123470 530197647 /nfs/dbraw/zinc/19/76/47/530197647.db2.gz SASILBRQGBJYJS-UHFFFAOYSA-N 0 3 375.447 -0.656 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCN1CCCS1(=O)=O ZINC000681158563 530197363 /nfs/dbraw/zinc/19/73/63/530197363.db2.gz DRWUMDGMTOXSAT-HNNXBMFYSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCN1CCCS1(=O)=O ZINC000681158564 530197305 /nfs/dbraw/zinc/19/73/05/530197305.db2.gz DRWUMDGMTOXSAT-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000681162797 530197201 /nfs/dbraw/zinc/19/72/01/530197201.db2.gz GZKDISOYEIPSGZ-CABCVRRESA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000681162805 530197541 /nfs/dbraw/zinc/19/75/41/530197541.db2.gz GZKDISOYEIPSGZ-GJZGRUSLSA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000681162806 530197523 /nfs/dbraw/zinc/19/75/23/530197523.db2.gz GZKDISOYEIPSGZ-HUUCEWRRSA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000681162809 530197349 /nfs/dbraw/zinc/19/73/49/530197349.db2.gz GZKDISOYEIPSGZ-LSDHHAIUSA-N 0 3 375.539 -0.264 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000681165826 530197238 /nfs/dbraw/zinc/19/72/38/530197238.db2.gz ZLGWONOGNCUGFM-HNNXBMFYSA-N 0 3 375.539 -0.311 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000681165827 530197280 /nfs/dbraw/zinc/19/72/80/530197280.db2.gz ZLGWONOGNCUGFM-OAHLLOKOSA-N 0 3 375.539 -0.311 20 0 GBADHN CN(CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1)S(C)(=O)=O ZINC000681185708 530197268 /nfs/dbraw/zinc/19/72/68/530197268.db2.gz QKVDTONFKUTPJM-UHFFFAOYSA-N 0 3 377.555 -0.017 20 0 GBADHN CN(C)C1(CN(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCC1 ZINC000682088063 530199371 /nfs/dbraw/zinc/19/93/71/530199371.db2.gz KLVPINYICDMEMB-UHFFFAOYSA-N 0 3 375.539 -0.311 20 0 GBADHN CC(C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1)S(C)(=O)=O ZINC000682390463 530199012 /nfs/dbraw/zinc/19/90/12/530199012.db2.gz LXUSUEBGCNUKIG-LLVKDONJSA-N 0 3 375.472 -0.584 20 0 GBADHN CC(C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1)S(C)(=O)=O ZINC000682390465 530199643 /nfs/dbraw/zinc/19/96/43/530199643.db2.gz LXUSUEBGCNUKIG-NSHDSACASA-N 0 3 375.472 -0.584 20 0 GBADHN CC(C)C[C@H](NC(=O)NCCC1CS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000682481597 530199583 /nfs/dbraw/zinc/19/95/83/530199583.db2.gz YHNFPIWZGQWFQQ-AWEZNQCLSA-N 0 3 376.523 -0.187 20 0 GBADHN CN(C)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000682723474 530199573 /nfs/dbraw/zinc/19/95/73/530199573.db2.gz CMNXACABEARJLV-HNNXBMFYSA-N 0 3 396.579 -0.092 20 0 GBADHN CN(C)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000682723475 530199525 /nfs/dbraw/zinc/19/95/25/530199525.db2.gz CMNXACABEARJLV-OAHLLOKOSA-N 0 3 396.579 -0.092 20 0 GBADHN CC(C)[C@@H]1CN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCN1C ZINC000683096888 1072129158 /nfs/dbraw/zinc/12/91/58/1072129158.db2.gz CINTZZPHSRTAQN-IRXDYDNUSA-N 0 3 386.562 -0.410 20 0 GBADHN CC(C)[C@@H]1CN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCN1C ZINC000683096889 1072129079 /nfs/dbraw/zinc/12/90/79/1072129079.db2.gz CINTZZPHSRTAQN-SJORKVTESA-N 0 3 386.562 -0.410 20 0 GBADHN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000683384770 1072273776 /nfs/dbraw/zinc/27/37/76/1072273776.db2.gz SBNWYXLYMNWPMR-INIZCTEOSA-N 0 3 387.550 -0.120 20 0 GBADHN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000683384772 1072273479 /nfs/dbraw/zinc/27/34/79/1072273479.db2.gz SBNWYXLYMNWPMR-MRXNPFEDSA-N 0 3 387.550 -0.120 20 0 GBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)o1 ZINC000683822120 1072426903 /nfs/dbraw/zinc/42/69/03/1072426903.db2.gz QTLTXHQMYGMIST-CYBMUJFWSA-N 0 3 396.469 -0.162 20 0 GBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)o1 ZINC000683822122 1072426795 /nfs/dbraw/zinc/42/67/95/1072426795.db2.gz QTLTXHQMYGMIST-ZDUSSCGKSA-N 0 3 396.469 -0.162 20 0 GBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000683942063 530200950 /nfs/dbraw/zinc/20/09/50/530200950.db2.gz WZKYAMRRDMHBCZ-UHFFFAOYSA-N 0 3 390.531 -0.139 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134310 1072530629 /nfs/dbraw/zinc/53/06/29/1072530629.db2.gz OFGWQFMLDQHVJY-JXFKEZNVSA-N 0 3 390.484 -0.152 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134311 1072530813 /nfs/dbraw/zinc/53/08/13/1072530813.db2.gz OFGWQFMLDQHVJY-OXJNMPFZSA-N 0 3 390.484 -0.152 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134312 1072531008 /nfs/dbraw/zinc/53/10/08/1072531008.db2.gz OFGWQFMLDQHVJY-OXQOHEQNSA-N 0 3 390.484 -0.152 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134313 1072530670 /nfs/dbraw/zinc/53/06/70/1072530670.db2.gz OFGWQFMLDQHVJY-UZLBHIALSA-N 0 3 390.484 -0.152 20 0 GBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000684141230 1072535529 /nfs/dbraw/zinc/53/55/29/1072535529.db2.gz WAMPCSOYNIMDKL-AWEZNQCLSA-N 0 3 378.481 -0.353 20 0 GBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000684141231 1072536075 /nfs/dbraw/zinc/53/60/75/1072536075.db2.gz WAMPCSOYNIMDKL-CQSZACIVSA-N 0 3 378.481 -0.353 20 0 GBADHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000684174877 530201863 /nfs/dbraw/zinc/20/18/63/530201863.db2.gz NBBZINVZSBLZTC-AWEZNQCLSA-N 0 3 389.250 -0.374 20 0 GBADHN C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000684174878 530201665 /nfs/dbraw/zinc/20/16/65/530201665.db2.gz NBBZINVZSBLZTC-CQSZACIVSA-N 0 3 389.250 -0.374 20 0 GBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000684271443 1072592803 /nfs/dbraw/zinc/59/28/03/1072592803.db2.gz MMQYQHKTVABWMZ-JXFKEZNVSA-N 0 3 390.484 -0.152 20 0 GBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000684271444 1072593009 /nfs/dbraw/zinc/59/30/09/1072593009.db2.gz MMQYQHKTVABWMZ-OXJNMPFZSA-N 0 3 390.484 -0.152 20 0 GBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000684271445 1072593216 /nfs/dbraw/zinc/59/32/16/1072593216.db2.gz MMQYQHKTVABWMZ-OXQOHEQNSA-N 0 3 390.484 -0.152 20 0 GBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000684271447 1072592873 /nfs/dbraw/zinc/59/28/73/1072592873.db2.gz MMQYQHKTVABWMZ-UZLBHIALSA-N 0 3 390.484 -0.152 20 0 GBADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000684527751 1072225403 /nfs/dbraw/zinc/22/54/03/1072225403.db2.gz ZMNZVCNNXIEZEX-INIZCTEOSA-N 0 3 389.456 -0.134 20 0 GBADHN COc1cnccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000684527752 1072225524 /nfs/dbraw/zinc/22/55/24/1072225524.db2.gz ZMNZVCNNXIEZEX-MRXNPFEDSA-N 0 3 389.456 -0.134 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCN(C)S(C)(=O)=O ZINC000684568673 530201429 /nfs/dbraw/zinc/20/14/29/530201429.db2.gz SLPFROBIWDRHBB-UHFFFAOYSA-N 0 3 395.551 -0.379 20 0 GBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O ZINC000684575925 530201639 /nfs/dbraw/zinc/20/16/39/530201639.db2.gz LPXYWKGOQYECNW-UHFFFAOYSA-N 0 3 395.551 -0.332 20 0 GBADHN CNS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000684865690 1072352471 /nfs/dbraw/zinc/35/24/71/1072352471.db2.gz PXPFQVBOGFGEDR-GFCCVEGCSA-N 0 3 383.474 -0.089 20 0 GBADHN CNS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000684865691 1072352559 /nfs/dbraw/zinc/35/25/59/1072352559.db2.gz PXPFQVBOGFGEDR-LBPRGKRZSA-N 0 3 383.474 -0.089 20 0 GBADHN CN1CCN(CCNC(=O)NCCCN2CCCS2(=O)=O)CC1(C)C ZINC000685046578 530202224 /nfs/dbraw/zinc/20/22/24/530202224.db2.gz GSJCPZYERVEQNF-UHFFFAOYSA-N 0 3 375.539 -0.263 20 0 GBADHN CC(=O)N1CCN(C(=O)CCNC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000685047052 1072412730 /nfs/dbraw/zinc/41/27/30/1072412730.db2.gz NZGWOSJVJLTQNP-UHFFFAOYSA-N 0 3 396.536 -0.608 20 0 GBADHN Cc1cnc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1 ZINC000685096229 1072442248 /nfs/dbraw/zinc/44/22/48/1072442248.db2.gz MXIVRBHCOBTSCF-HNNXBMFYSA-N 0 3 388.472 -0.791 20 0 GBADHN Cc1cnc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc1 ZINC000685096230 1072442488 /nfs/dbraw/zinc/44/24/88/1072442488.db2.gz MXIVRBHCOBTSCF-OAHLLOKOSA-N 0 3 388.472 -0.791 20 0 GBADHN CN1CCC[C@H](NC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000685112635 1072450331 /nfs/dbraw/zinc/45/03/31/1072450331.db2.gz GHIDCMSSERZIDF-INIZCTEOSA-N 0 3 395.548 -0.060 20 0 GBADHN CN1CCC[C@@H](NC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000685112637 1072450229 /nfs/dbraw/zinc/45/02/29/1072450229.db2.gz GHIDCMSSERZIDF-MRXNPFEDSA-N 0 3 395.548 -0.060 20 0 GBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000685142296 1072464630 /nfs/dbraw/zinc/46/46/30/1072464630.db2.gz FKKWWHHIUMBUHH-CABCVRRESA-N 0 3 388.472 -0.353 20 0 GBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000685142297 1072464619 /nfs/dbraw/zinc/46/46/19/1072464619.db2.gz FKKWWHHIUMBUHH-GJZGRUSLSA-N 0 3 388.472 -0.353 20 0 GBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000685142298 1072465137 /nfs/dbraw/zinc/46/51/37/1072465137.db2.gz FKKWWHHIUMBUHH-HUUCEWRRSA-N 0 3 388.472 -0.353 20 0 GBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000685142299 1072465213 /nfs/dbraw/zinc/46/52/13/1072465213.db2.gz FKKWWHHIUMBUHH-LSDHHAIUSA-N 0 3 388.472 -0.353 20 0 GBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@@H]2CN(CC)C[C@@H]2C)cn1 ZINC000685161635 1072476271 /nfs/dbraw/zinc/47/62/71/1072476271.db2.gz MXJJGIJTOICPQQ-CRNXPOROSA-N 0 3 390.488 -0.205 20 0 GBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@H]2CN(CC)C[C@@H]2C)cn1 ZINC000685161636 1072475993 /nfs/dbraw/zinc/47/59/93/1072475993.db2.gz MXJJGIJTOICPQQ-GUSZCTEKSA-N 0 3 390.488 -0.205 20 0 GBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@@H]2CN(CC)C[C@H]2C)cn1 ZINC000685161637 1072475908 /nfs/dbraw/zinc/47/59/08/1072475908.db2.gz MXJJGIJTOICPQQ-MMTVNHQJSA-N 0 3 390.488 -0.205 20 0 GBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@H]2CN(CC)C[C@H]2C)cn1 ZINC000685161638 1072475973 /nfs/dbraw/zinc/47/59/73/1072475973.db2.gz MXJJGIJTOICPQQ-UTXMOHQDSA-N 0 3 390.488 -0.205 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166243 1072478865 /nfs/dbraw/zinc/47/88/65/1072478865.db2.gz KQOWNLDIGWDZFC-FMKPAKJESA-N 0 3 388.472 -0.273 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166244 1072478526 /nfs/dbraw/zinc/47/85/26/1072478526.db2.gz KQOWNLDIGWDZFC-IIAWOOMASA-N 0 3 388.472 -0.273 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166245 1072478761 /nfs/dbraw/zinc/47/87/61/1072478761.db2.gz KQOWNLDIGWDZFC-IJEWVQPXSA-N 0 3 388.472 -0.273 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166246 1072478875 /nfs/dbraw/zinc/47/88/75/1072478875.db2.gz KQOWNLDIGWDZFC-YCPHGPKFSA-N 0 3 388.472 -0.273 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166543 1072479677 /nfs/dbraw/zinc/47/96/77/1072479677.db2.gz MQETWFTZWOEJED-INWMFGNUSA-N 0 3 388.472 -0.369 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166544 1072479383 /nfs/dbraw/zinc/47/93/83/1072479383.db2.gz MQETWFTZWOEJED-IVMMDQJWSA-N 0 3 388.472 -0.369 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166545 1072479424 /nfs/dbraw/zinc/47/94/24/1072479424.db2.gz MQETWFTZWOEJED-XNRPHZJLSA-N 0 3 388.472 -0.369 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166546 1072479665 /nfs/dbraw/zinc/47/96/65/1072479665.db2.gz MQETWFTZWOEJED-XPKDYRNWSA-N 0 3 388.472 -0.369 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685170075 1072483742 /nfs/dbraw/zinc/48/37/42/1072483742.db2.gz KRVOKDSHTZENCG-DZGCQCFKSA-N 0 3 394.476 -0.885 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685170076 1072483635 /nfs/dbraw/zinc/48/36/35/1072483635.db2.gz KRVOKDSHTZENCG-HIFRSBDPSA-N 0 3 394.476 -0.885 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685170077 1072483619 /nfs/dbraw/zinc/48/36/19/1072483619.db2.gz KRVOKDSHTZENCG-UKRRQHHQSA-N 0 3 394.476 -0.885 20 0 GBADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685170078 1072483600 /nfs/dbraw/zinc/48/36/00/1072483600.db2.gz KRVOKDSHTZENCG-ZFWWWQNUSA-N 0 3 394.476 -0.885 20 0 GBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170816 1072485250 /nfs/dbraw/zinc/48/52/50/1072485250.db2.gz XEPGMKBTIXIIAV-DZGCQCFKSA-N 0 3 376.461 -0.416 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170817 1072485025 /nfs/dbraw/zinc/48/50/25/1072485025.db2.gz XEPGMKBTIXIIAV-HIFRSBDPSA-N 0 3 376.461 -0.416 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170818 1072485178 /nfs/dbraw/zinc/48/51/78/1072485178.db2.gz XEPGMKBTIXIIAV-UKRRQHHQSA-N 0 3 376.461 -0.416 20 0 GBADHN C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170819 1072485117 /nfs/dbraw/zinc/48/51/17/1072485117.db2.gz XEPGMKBTIXIIAV-ZFWWWQNUSA-N 0 3 376.461 -0.416 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172315 1072488167 /nfs/dbraw/zinc/48/81/67/1072488167.db2.gz QLXXPYILJXVSGT-DOMZBBRYSA-N 0 3 376.461 -0.417 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172316 1072488021 /nfs/dbraw/zinc/48/80/21/1072488021.db2.gz QLXXPYILJXVSGT-IUODEOHRSA-N 0 3 376.461 -0.417 20 0 GBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172317 1072488348 /nfs/dbraw/zinc/48/83/48/1072488348.db2.gz QLXXPYILJXVSGT-SWLSCSKDSA-N 0 3 376.461 -0.417 20 0 GBADHN C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172318 1072488046 /nfs/dbraw/zinc/48/80/46/1072488046.db2.gz QLXXPYILJXVSGT-WFASDCNBSA-N 0 3 376.461 -0.417 20 0 GBADHN C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000685172324 1072488136 /nfs/dbraw/zinc/48/81/36/1072488136.db2.gz KTKQMEHREONUNB-DVOMOZLQSA-N 0 3 388.472 -0.203 20 0 GBADHN C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000685172326 1072488219 /nfs/dbraw/zinc/48/82/19/1072488219.db2.gz KTKQMEHREONUNB-HEHGZKQESA-N 0 3 388.472 -0.203 20 0 GBADHN C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000685172328 1072488182 /nfs/dbraw/zinc/48/81/82/1072488182.db2.gz KTKQMEHREONUNB-WWGRRREGSA-N 0 3 388.472 -0.203 20 0 GBADHN C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000685172330 1072488149 /nfs/dbraw/zinc/48/81/49/1072488149.db2.gz KTKQMEHREONUNB-XEZPLFJOSA-N 0 3 388.472 -0.203 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685173112 1072489068 /nfs/dbraw/zinc/48/90/68/1072489068.db2.gz NWSNBYACSSWYQG-GUTXKFCHSA-N 0 3 376.461 -0.369 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685173113 1072489016 /nfs/dbraw/zinc/48/90/16/1072489016.db2.gz NWSNBYACSSWYQG-GZBFAFLISA-N 0 3 376.461 -0.369 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685173115 1072488983 /nfs/dbraw/zinc/48/89/83/1072488983.db2.gz NWSNBYACSSWYQG-NFAWXSAZSA-N 0 3 376.461 -0.369 20 0 GBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685173117 1072488988 /nfs/dbraw/zinc/48/89/88/1072488988.db2.gz NWSNBYACSSWYQG-UMVBOHGHSA-N 0 3 376.461 -0.369 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173935 1072489804 /nfs/dbraw/zinc/48/98/04/1072489804.db2.gz ZTIXKORZBRAGBM-GDBMZVCRSA-N 0 3 390.488 -0.122 20 0 GBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173937 1072489700 /nfs/dbraw/zinc/48/97/00/1072489700.db2.gz ZTIXKORZBRAGBM-GOEBONIOSA-N 0 3 390.488 -0.122 20 0 GBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173939 1072490023 /nfs/dbraw/zinc/49/00/23/1072490023.db2.gz ZTIXKORZBRAGBM-HOCLYGCPSA-N 0 3 390.488 -0.122 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173941 1072489748 /nfs/dbraw/zinc/48/97/48/1072489748.db2.gz ZTIXKORZBRAGBM-ZBFHGGJFSA-N 0 3 390.488 -0.122 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685174700 1072490498 /nfs/dbraw/zinc/49/04/98/1072490498.db2.gz ILHZLEKGZBOAJZ-DZGCQCFKSA-N 0 3 394.476 -0.933 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685174701 1072490573 /nfs/dbraw/zinc/49/05/73/1072490573.db2.gz ILHZLEKGZBOAJZ-HIFRSBDPSA-N 0 3 394.476 -0.933 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685174702 1072490616 /nfs/dbraw/zinc/49/06/16/1072490616.db2.gz ILHZLEKGZBOAJZ-UKRRQHHQSA-N 0 3 394.476 -0.933 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685174703 1072490785 /nfs/dbraw/zinc/49/07/85/1072490785.db2.gz ILHZLEKGZBOAJZ-ZFWWWQNUSA-N 0 3 394.476 -0.933 20 0 GBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685174810 1072491582 /nfs/dbraw/zinc/49/15/82/1072491582.db2.gz XCJDMPQPEWHPMN-DZGCQCFKSA-N 0 3 378.477 -0.171 20 0 GBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685174811 1072491585 /nfs/dbraw/zinc/49/15/85/1072491585.db2.gz XCJDMPQPEWHPMN-HIFRSBDPSA-N 0 3 378.477 -0.171 20 0 GBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685174812 1072491550 /nfs/dbraw/zinc/49/15/50/1072491550.db2.gz XCJDMPQPEWHPMN-UKRRQHHQSA-N 0 3 378.477 -0.171 20 0 GBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685174813 1072491521 /nfs/dbraw/zinc/49/15/21/1072491521.db2.gz XCJDMPQPEWHPMN-ZFWWWQNUSA-N 0 3 378.477 -0.171 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176357 1072492551 /nfs/dbraw/zinc/49/25/51/1072492551.db2.gz WOAAOBLXISJQCV-GDBMZVCRSA-N 0 3 390.488 -0.027 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176360 1072492198 /nfs/dbraw/zinc/49/21/98/1072492198.db2.gz WOAAOBLXISJQCV-GOEBONIOSA-N 0 3 390.488 -0.027 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176363 1072492423 /nfs/dbraw/zinc/49/24/23/1072492423.db2.gz WOAAOBLXISJQCV-HOCLYGCPSA-N 0 3 390.488 -0.027 20 0 GBADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176364 1072492529 /nfs/dbraw/zinc/49/25/29/1072492529.db2.gz WOAAOBLXISJQCV-ZBFHGGJFSA-N 0 3 390.488 -0.027 20 0 GBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1(C)C ZINC000685181598 1072494151 /nfs/dbraw/zinc/49/41/51/1072494151.db2.gz OOACMMGAXWBOOJ-QLFBSQMISA-N 0 3 380.489 -0.319 20 0 GBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1(C)C ZINC000685181600 1072494268 /nfs/dbraw/zinc/49/42/68/1072494268.db2.gz OOACMMGAXWBOOJ-RBSFLKMASA-N 0 3 380.489 -0.319 20 0 GBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1(C)C ZINC000685181602 1072494183 /nfs/dbraw/zinc/49/41/83/1072494183.db2.gz OOACMMGAXWBOOJ-RRFJBIMHSA-N 0 3 380.489 -0.319 20 0 GBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1(C)C ZINC000685181604 1072494253 /nfs/dbraw/zinc/49/42/53/1072494253.db2.gz OOACMMGAXWBOOJ-SOUVJXGZSA-N 0 3 380.489 -0.319 20 0 GBADHN CCC1(O)CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000685248584 1072521029 /nfs/dbraw/zinc/52/10/29/1072521029.db2.gz ONFKAIOSGCTSOF-LFDOHDQPSA-N 0 3 394.516 -0.049 20 0 GBADHN CCC1(O)CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000685248585 1072521336 /nfs/dbraw/zinc/52/13/36/1072521336.db2.gz ONFKAIOSGCTSOF-NGEICVOHSA-N 0 3 394.516 -0.049 20 0 GBADHN CCC1(O)CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000685254410 1072523493 /nfs/dbraw/zinc/52/34/93/1072523493.db2.gz HQIJFQSTKNIXBZ-UHFFFAOYSA-N 0 3 394.516 -0.047 20 0 GBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000685276340 1072538093 /nfs/dbraw/zinc/53/80/93/1072538093.db2.gz GOIGDFBHRWCOTH-CABCVRRESA-N 0 3 379.505 -0.650 20 0 GBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000685276341 1072538747 /nfs/dbraw/zinc/53/87/47/1072538747.db2.gz GOIGDFBHRWCOTH-GJZGRUSLSA-N 0 3 379.505 -0.650 20 0 GBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000685276342 1072538501 /nfs/dbraw/zinc/53/85/01/1072538501.db2.gz GOIGDFBHRWCOTH-HUUCEWRRSA-N 0 3 379.505 -0.650 20 0 GBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CN1C1CC1 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MZTMDUBDBVRASU-CQSZACIVSA-N 0 3 389.543 -0.327 20 0 GBADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551727 1072441560 /nfs/dbraw/zinc/44/15/60/1072441560.db2.gz KNYGAYLLKJOBAV-UHFFFAOYSA-N 0 3 377.445 -0.105 20 0 GBADHN NS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1F ZINC000728551775 1072440506 /nfs/dbraw/zinc/44/05/06/1072440506.db2.gz NKDLLQZLOYGDDI-UHFFFAOYSA-N 0 3 398.460 -0.147 20 0 GBADHN O=C(CN1CCCC1)N1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000728575704 1072502289 /nfs/dbraw/zinc/50/22/89/1072502289.db2.gz IJHGZQJGTJFACP-UHFFFAOYSA-N 0 3 380.489 -0.408 20 0 GBADHN CCOC(=O)N1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000728576173 1072500655 /nfs/dbraw/zinc/50/06/55/1072500655.db2.gz NXNYNFIKVZQFHC-UHFFFAOYSA-N 0 3 395.504 -0.473 20 0 GBADHN CCOC(=O)C1=C(CN2CCN(C(=O)CN3CCCC3)CC2)NC(=O)N[C@H]1C ZINC000728577023 1072502863 /nfs/dbraw/zinc/50/28/63/1072502863.db2.gz WMUIUAIUMDRFRX-AWEZNQCLSA-N 0 3 393.488 -0.255 20 0 GBADHN CCOC(=O)C1=C(CN2CCN(C(=O)CN3CCCC3)CC2)NC(=O)N[C@@H]1C ZINC000728577024 1072503197 /nfs/dbraw/zinc/50/31/97/1072503197.db2.gz WMUIUAIUMDRFRX-CQSZACIVSA-N 0 3 393.488 -0.255 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000728881099 637410866 /nfs/dbraw/zinc/41/08/66/637410866.db2.gz RIPRAXPGYAHZIN-AWEZNQCLSA-N 0 3 391.559 -0.081 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000728881100 637410788 /nfs/dbraw/zinc/41/07/88/637410788.db2.gz RIPRAXPGYAHZIN-CQSZACIVSA-N 0 3 391.559 -0.081 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000728905445 1073724577 /nfs/dbraw/zinc/72/45/77/1073724577.db2.gz MXPCHXCRPYHGLF-UHFFFAOYSA-N 0 3 381.477 -0.123 20 0 GBADHN CCN(CC)CC(=O)N1CCN(Cn2nc(CCC(N)=O)n(C)c2=S)CC1 ZINC000728905471 1073666909 /nfs/dbraw/zinc/66/69/09/1073666909.db2.gz NPMSCFNRBHBWCZ-UHFFFAOYSA-N 0 3 397.549 -0.188 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000728905749 1073665765 /nfs/dbraw/zinc/66/57/65/1073665765.db2.gz INIJXFXGIJXZGX-UHFFFAOYSA-N 0 3 381.477 -0.469 20 0 GBADHN CCOC(=O)N1CCN(C(=O)CN2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000728930011 1073817840 /nfs/dbraw/zinc/81/78/40/1073817840.db2.gz FRJSDJRTOPGQIO-UHFFFAOYSA-N 0 3 397.520 -0.227 20 0 GBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000728930082 1073817979 /nfs/dbraw/zinc/81/79/79/1073817979.db2.gz HEYMEKQNKZQRDH-UHFFFAOYSA-N 0 3 382.505 -0.162 20 0 GBADHN CCOC(=O)C1=C(CN2CCN(C(=O)CN(CC)CC)CC2)NC(=O)N[C@H]1C ZINC000728930234 1073818047 /nfs/dbraw/zinc/81/80/47/1073818047.db2.gz LYCBKYIWWJETBC-AWEZNQCLSA-N 0 3 395.504 -0.009 20 0 GBADHN CCOC(=O)C1=C(CN2CCN(C(=O)CN(CC)CC)CC2)NC(=O)N[C@@H]1C ZINC000728930241 1073818536 /nfs/dbraw/zinc/81/85/36/1073818536.db2.gz LYCBKYIWWJETBC-CQSZACIVSA-N 0 3 395.504 -0.009 20 0 GBADHN CCOC(=O)N1CCN(S(=O)(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000729267696 637420115 /nfs/dbraw/zinc/42/01/15/637420115.db2.gz AUCSVNOVLKMOOQ-UHFFFAOYSA-N 0 3 379.527 -0.570 20 0 GBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1 ZINC000729267875 637420268 /nfs/dbraw/zinc/42/02/68/637420268.db2.gz VXXQHINQAABKGS-UHFFFAOYSA-N 0 3 392.547 -0.291 20 0 GBADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729497664 1073173061 /nfs/dbraw/zinc/17/30/61/1073173061.db2.gz YXVGFTQFGXBVSZ-CABCVRRESA-N 0 3 378.477 -0.066 20 0 GBADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729497665 1073172903 /nfs/dbraw/zinc/17/29/03/1073172903.db2.gz YXVGFTQFGXBVSZ-GJZGRUSLSA-N 0 3 378.477 -0.066 20 0 GBADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729497666 1073172918 /nfs/dbraw/zinc/17/29/18/1073172918.db2.gz YXVGFTQFGXBVSZ-HUUCEWRRSA-N 0 3 378.477 -0.066 20 0 GBADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729497667 1073172829 /nfs/dbraw/zinc/17/28/29/1073172829.db2.gz YXVGFTQFGXBVSZ-LSDHHAIUSA-N 0 3 378.477 -0.066 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)nc1 ZINC000729503607 1073176140 /nfs/dbraw/zinc/17/61/40/1073176140.db2.gz XZDLWZVONDVZRO-CVEARBPZSA-N 0 3 388.472 -0.125 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)nc1 ZINC000729503617 1073176152 /nfs/dbraw/zinc/17/61/52/1073176152.db2.gz XZDLWZVONDVZRO-HOTGVXAUSA-N 0 3 388.472 -0.125 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)nc1 ZINC000729503625 1073176061 /nfs/dbraw/zinc/17/60/61/1073176061.db2.gz XZDLWZVONDVZRO-HZPDHXFCSA-N 0 3 388.472 -0.125 20 0 GBADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)nc1 ZINC000729503634 1073176023 /nfs/dbraw/zinc/17/60/23/1073176023.db2.gz XZDLWZVONDVZRO-JKSUJKDBSA-N 0 3 388.472 -0.125 20 0 GBADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000730278732 637501417 /nfs/dbraw/zinc/50/14/17/637501417.db2.gz OQKOVKDCLAYNAZ-KBPBESRZSA-N 0 3 395.547 -0.766 20 0 GBADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000730278734 637501169 /nfs/dbraw/zinc/50/11/69/637501169.db2.gz OQKOVKDCLAYNAZ-KGLIPLIRSA-N 0 3 395.547 -0.766 20 0 GBADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000730278736 637501396 /nfs/dbraw/zinc/50/13/96/637501396.db2.gz OQKOVKDCLAYNAZ-UONOGXRCSA-N 0 3 395.547 -0.766 20 0 GBADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000730278737 637501063 /nfs/dbraw/zinc/50/10/63/637501063.db2.gz OQKOVKDCLAYNAZ-ZIAGYGMSSA-N 0 3 395.547 -0.766 20 0 GBADHN COCCN(CCN(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731761125 637521240 /nfs/dbraw/zinc/52/12/40/637521240.db2.gz TUTFRXINQXCYMM-UHFFFAOYSA-N 0 3 378.539 -0.285 20 0 GBADHN COCCN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000732458756 637525902 /nfs/dbraw/zinc/52/59/02/637525902.db2.gz MBCOFCZZEMKQCV-AWEZNQCLSA-N 0 3 378.495 -0.942 20 0 GBADHN COCCN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000732458757 637526098 /nfs/dbraw/zinc/52/60/98/637526098.db2.gz MBCOFCZZEMKQCV-CQSZACIVSA-N 0 3 378.495 -0.942 20 0 GBADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000733997883 637569650 /nfs/dbraw/zinc/56/96/50/637569650.db2.gz VPHMDBIDOHDAPQ-ACLQVGRQSA-N 0 3 391.515 -0.033 20 0 GBADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000733997884 637569659 /nfs/dbraw/zinc/56/96/59/637569659.db2.gz VPHMDBIDOHDAPQ-QENILXLESA-N 0 3 391.515 -0.033 20 0 GBADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000733997885 637569714 /nfs/dbraw/zinc/56/97/14/637569714.db2.gz VPHMDBIDOHDAPQ-UGMNDJHYSA-N 0 3 391.515 -0.033 20 0 GBADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000733997886 637569756 /nfs/dbraw/zinc/56/97/56/637569756.db2.gz VPHMDBIDOHDAPQ-ZBQKXELDSA-N 0 3 391.515 -0.033 20 0 GBADHN CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735623679 598525790 /nfs/dbraw/zinc/52/57/90/598525790.db2.gz OOLGPFDCSLWYPJ-JTQLQIEISA-N 0 3 383.482 -0.588 20 0 GBADHN CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735623679 598525789 /nfs/dbraw/zinc/52/57/89/598525789.db2.gz OOLGPFDCSLWYPJ-JTQLQIEISA-N 0 3 383.482 -0.588 20 0 GBADHN CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735623684 598525837 /nfs/dbraw/zinc/52/58/37/598525837.db2.gz OOLGPFDCSLWYPJ-SNVBAGLBSA-N 0 3 383.482 -0.588 20 0 GBADHN CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735623684 598525836 /nfs/dbraw/zinc/52/58/36/598525836.db2.gz OOLGPFDCSLWYPJ-SNVBAGLBSA-N 0 3 383.482 -0.588 20 0 GBADHN CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCN(C)CC1 ZINC000735710599 598521194 /nfs/dbraw/zinc/52/11/94/598521194.db2.gz VRSMGTXBBYRBSZ-GDBMZVCRSA-N 0 3 388.524 -0.034 20 0 GBADHN CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCN(C)CC1 ZINC000735711136 598521087 /nfs/dbraw/zinc/52/10/87/598521087.db2.gz VRSMGTXBBYRBSZ-GOEBONIOSA-N 0 3 388.524 -0.034 20 0 GBADHN CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCN(C)CC1 ZINC000735711137 598521471 /nfs/dbraw/zinc/52/14/71/598521471.db2.gz VRSMGTXBBYRBSZ-HOCLYGCPSA-N 0 3 388.524 -0.034 20 0 GBADHN CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCN(C)CC1 ZINC000735711138 598521546 /nfs/dbraw/zinc/52/15/46/598521546.db2.gz VRSMGTXBBYRBSZ-ZBFHGGJFSA-N 0 3 388.524 -0.034 20 0 GBADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000736015138 599013414 /nfs/dbraw/zinc/01/34/14/599013414.db2.gz YJXUIGGHGRBWGI-CYBMUJFWSA-N 0 3 386.460 -0.651 20 0 GBADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000736015140 599013047 /nfs/dbraw/zinc/01/30/47/599013047.db2.gz YJXUIGGHGRBWGI-ZDUSSCGKSA-N 0 3 386.460 -0.651 20 0 GBADHN CCN(CCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)S(C)(=O)=O ZINC000736538651 598524576 /nfs/dbraw/zinc/52/45/76/598524576.db2.gz ZRACNRNUISAVGR-LLVKDONJSA-N 0 3 383.482 -0.634 20 0 GBADHN CCN(CCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)S(C)(=O)=O ZINC000736538651 598524575 /nfs/dbraw/zinc/52/45/75/598524575.db2.gz ZRACNRNUISAVGR-LLVKDONJSA-N 0 3 383.482 -0.634 20 0 GBADHN CCN(CCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)S(C)(=O)=O ZINC000736538652 598524570 /nfs/dbraw/zinc/52/45/70/598524570.db2.gz ZRACNRNUISAVGR-NSHDSACASA-N 0 3 383.482 -0.634 20 0 GBADHN CCN(CCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)S(C)(=O)=O ZINC000736538652 598524569 /nfs/dbraw/zinc/52/45/69/598524569.db2.gz ZRACNRNUISAVGR-NSHDSACASA-N 0 3 383.482 -0.634 20 0 GBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1 ZINC000736631304 637586796 /nfs/dbraw/zinc/58/67/96/637586796.db2.gz DVBOALTWLOFOCE-UHFFFAOYSA-N 0 3 391.515 -0.016 20 0 GBADHN CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736658398 598521737 /nfs/dbraw/zinc/52/17/37/598521737.db2.gz DTXIHBLFKDJTLF-LLVKDONJSA-N 0 3 383.482 -0.634 20 0 GBADHN CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736658398 598521736 /nfs/dbraw/zinc/52/17/36/598521736.db2.gz DTXIHBLFKDJTLF-LLVKDONJSA-N 0 3 383.482 -0.634 20 0 GBADHN CCS(=O)(=O)N(C)CCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736658399 598521723 /nfs/dbraw/zinc/52/17/23/598521723.db2.gz DTXIHBLFKDJTLF-NSHDSACASA-N 0 3 383.482 -0.634 20 0 GBADHN CCS(=O)(=O)N(C)CCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736658399 598521722 /nfs/dbraw/zinc/52/17/22/598521722.db2.gz DTXIHBLFKDJTLF-NSHDSACASA-N 0 3 383.482 -0.634 20 0 GBADHN COCCN1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000736660873 637587240 /nfs/dbraw/zinc/58/72/40/637587240.db2.gz NBBYCLATZJAFPT-HNNXBMFYSA-N 0 3 376.523 -0.485 20 0 GBADHN COCCN1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000736660876 637586635 /nfs/dbraw/zinc/58/66/35/637586635.db2.gz NBBYCLATZJAFPT-OAHLLOKOSA-N 0 3 376.523 -0.485 20 0 GBADHN C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000736759267 598878099 /nfs/dbraw/zinc/87/80/99/598878099.db2.gz LIOZOABBOZNPOQ-UHFFFAOYSA-N 0 3 387.444 -0.177 20 0 GBADHN C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000736759267 598878098 /nfs/dbraw/zinc/87/80/98/598878098.db2.gz LIOZOABBOZNPOQ-UHFFFAOYSA-N 0 3 387.444 -0.177 20 0 GBADHN C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736762444 598564029 /nfs/dbraw/zinc/56/40/29/598564029.db2.gz HXQRFFIKASRUPS-SECBINFHSA-N 0 3 399.358 -0.555 20 0 GBADHN C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736762447 598563594 /nfs/dbraw/zinc/56/35/94/598563594.db2.gz HXQRFFIKASRUPS-VIFPVBQESA-N 0 3 399.358 -0.555 20 0 GBADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000736768339 599087993 /nfs/dbraw/zinc/08/79/93/599087993.db2.gz FHZZRSKAJVUYCD-UHFFFAOYSA-N 0 3 384.404 -0.612 20 0 GBADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000736768339 599087991 /nfs/dbraw/zinc/08/79/91/599087991.db2.gz FHZZRSKAJVUYCD-UHFFFAOYSA-N 0 3 384.404 -0.612 20 0 GBADHN C[NH+](C)CCN1C[C@H](C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1=O ZINC000736769810 598895882 /nfs/dbraw/zinc/89/58/82/598895882.db2.gz SZPIZCFSFNOKEU-GFCCVEGCSA-N 0 3 387.448 -0.800 20 0 GBADHN C[NH+](C)CCN1C[C@H](C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1=O ZINC000736769810 598895880 /nfs/dbraw/zinc/89/58/80/598895880.db2.gz SZPIZCFSFNOKEU-GFCCVEGCSA-N 0 3 387.448 -0.800 20 0 GBADHN C[NH+](C)CCN1C[C@@H](C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1=O ZINC000736769814 598895593 /nfs/dbraw/zinc/89/55/93/598895593.db2.gz SZPIZCFSFNOKEU-LBPRGKRZSA-N 0 3 387.448 -0.800 20 0 GBADHN C[NH+](C)CCN1C[C@@H](C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1=O ZINC000736769814 598895592 /nfs/dbraw/zinc/89/55/92/598895592.db2.gz SZPIZCFSFNOKEU-LBPRGKRZSA-N 0 3 387.448 -0.800 20 0 GBADHN C[NH+](C)CCN1C(=O)C[C@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000736769838 598408933 /nfs/dbraw/zinc/40/89/33/598408933.db2.gz UEQKRNZGGQAQHO-AWEZNQCLSA-N 0 3 399.459 -0.927 20 0 GBADHN C[NH+](C)CCN1C(=O)C[C@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000736769838 598408931 /nfs/dbraw/zinc/40/89/31/598408931.db2.gz UEQKRNZGGQAQHO-AWEZNQCLSA-N 0 3 399.459 -0.927 20 0 GBADHN C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000736769840 598408542 /nfs/dbraw/zinc/40/85/42/598408542.db2.gz UEQKRNZGGQAQHO-CQSZACIVSA-N 0 3 399.459 -0.927 20 0 GBADHN C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000736769840 598408540 /nfs/dbraw/zinc/40/85/40/598408540.db2.gz UEQKRNZGGQAQHO-CQSZACIVSA-N 0 3 399.459 -0.927 20 0 GBADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736769912 599087928 /nfs/dbraw/zinc/08/79/28/599087928.db2.gz WUCLUIMQZZYMMC-UHFFFAOYSA-N 0 3 383.416 -0.007 20 0 GBADHN C[NH+](C)CCn1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736771502 598405962 /nfs/dbraw/zinc/40/59/62/598405962.db2.gz OBPWFCJSIXYZJH-UHFFFAOYSA-N 0 3 383.416 -0.007 20 0 GBADHN C[NH+](C)CCn1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736771773 598405847 /nfs/dbraw/zinc/40/58/47/598405847.db2.gz RDBHLEQGGSYVKK-UHFFFAOYSA-N 0 3 383.416 -0.007 20 0 GBADHN C[N@@H+](CCO)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801383 598349645 /nfs/dbraw/zinc/34/96/45/598349645.db2.gz JAUSIXSJCJYEAS-INIZCTEOSA-N 0 3 376.461 -0.005 20 0 GBADHN C[N@H+](CCO)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801383 598349643 /nfs/dbraw/zinc/34/96/43/598349643.db2.gz JAUSIXSJCJYEAS-INIZCTEOSA-N 0 3 376.461 -0.005 20 0 GBADHN C[N@@H+](CCO)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801386 598349774 /nfs/dbraw/zinc/34/97/74/598349774.db2.gz JAUSIXSJCJYEAS-MRXNPFEDSA-N 0 3 376.461 -0.005 20 0 GBADHN C[N@H+](CCO)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801386 598349769 /nfs/dbraw/zinc/34/97/69/598349769.db2.gz JAUSIXSJCJYEAS-MRXNPFEDSA-N 0 3 376.461 -0.005 20 0 GBADHN CN1C(=O)N[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)C2)C1=O ZINC000736845872 598761126 /nfs/dbraw/zinc/76/11/26/598761126.db2.gz OOQKYHDXHIIGSJ-KRWDZBQOSA-N 0 3 384.400 -0.179 20 0 GBADHN CN1C(=O)N[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)C2)C1=O ZINC000736845872 598761125 /nfs/dbraw/zinc/76/11/25/598761125.db2.gz OOQKYHDXHIIGSJ-KRWDZBQOSA-N 0 3 384.400 -0.179 20 0 GBADHN CN1C(=O)N[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)C2)C1=O ZINC000736845874 598760847 /nfs/dbraw/zinc/76/08/47/598760847.db2.gz OOQKYHDXHIIGSJ-QGZVFWFLSA-N 0 3 384.400 -0.179 20 0 GBADHN CN1C(=O)N[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)C2)C1=O ZINC000736845874 598760846 /nfs/dbraw/zinc/76/08/46/598760846.db2.gz OOQKYHDXHIIGSJ-QGZVFWFLSA-N 0 3 384.400 -0.179 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736854754 599022469 /nfs/dbraw/zinc/02/24/69/599022469.db2.gz HRSDQISBTGBOSR-UHFFFAOYSA-N 0 3 375.437 -0.571 20 0 GBADHN CN(c1ncccc1-c1nn[nH]n1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000736855210 598592254 /nfs/dbraw/zinc/59/22/54/598592254.db2.gz AVSRFULSDPUOLF-UHFFFAOYSA-N 0 3 399.503 -0.064 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736856160 599025449 /nfs/dbraw/zinc/02/54/49/599025449.db2.gz NISBOPPLWVXEDD-UHFFFAOYSA-N 0 3 377.380 -0.483 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736856160 599025447 /nfs/dbraw/zinc/02/54/47/599025447.db2.gz NISBOPPLWVXEDD-UHFFFAOYSA-N 0 3 377.380 -0.483 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000736857063 599024362 /nfs/dbraw/zinc/02/43/62/599024362.db2.gz RPEIUYFXYULZLE-UHFFFAOYSA-N 0 3 375.437 -0.571 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000736857063 599024361 /nfs/dbraw/zinc/02/43/61/599024361.db2.gz RPEIUYFXYULZLE-UHFFFAOYSA-N 0 3 375.437 -0.571 20 0 GBADHN COC(=O)CNC(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736931759 598622500 /nfs/dbraw/zinc/62/25/00/598622500.db2.gz VDISSQMAEZYXHP-UHFFFAOYSA-N 0 3 391.407 -0.193 20 0 GBADHN COCC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988984 598401598 /nfs/dbraw/zinc/40/15/98/598401598.db2.gz SXSMYHJBWQCUFF-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988984 598401597 /nfs/dbraw/zinc/40/15/97/598401597.db2.gz SXSMYHJBWQCUFF-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988984 598401596 /nfs/dbraw/zinc/40/15/96/598401596.db2.gz SXSMYHJBWQCUFF-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988984 598401595 /nfs/dbraw/zinc/40/15/95/598401595.db2.gz SXSMYHJBWQCUFF-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCCN(CC[NH+](C)C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736994894 598269077 /nfs/dbraw/zinc/26/90/77/598269077.db2.gz NJUZYKSCIQKUCZ-UHFFFAOYSA-N 0 3 377.453 -0.107 20 0 GBADHN COCCN(CC[NH+](C)C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736994894 598269076 /nfs/dbraw/zinc/26/90/76/598269076.db2.gz NJUZYKSCIQKUCZ-UHFFFAOYSA-N 0 3 377.453 -0.107 20 0 GBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736994914 598329785 /nfs/dbraw/zinc/32/97/85/598329785.db2.gz NSTWQIZWHRFUTG-UHFFFAOYSA-N 0 3 391.432 -0.150 20 0 GBADHN COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736995597 598330171 /nfs/dbraw/zinc/33/01/71/598330171.db2.gz UNKNWYIGHXLKNZ-UHFFFAOYSA-N 0 3 379.396 -0.019 20 0 GBADHN COCC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737005470 598529862 /nfs/dbraw/zinc/52/98/62/598529862.db2.gz BCCGIXNXSITLQR-HNNXBMFYSA-N 0 3 387.444 -0.177 20 0 GBADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737005470 598529860 /nfs/dbraw/zinc/52/98/60/598529860.db2.gz BCCGIXNXSITLQR-HNNXBMFYSA-N 0 3 387.444 -0.177 20 0 GBADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737005473 598529928 /nfs/dbraw/zinc/52/99/28/598529928.db2.gz BCCGIXNXSITLQR-OAHLLOKOSA-N 0 3 387.444 -0.177 20 0 GBADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737005473 598529927 /nfs/dbraw/zinc/52/99/27/598529927.db2.gz BCCGIXNXSITLQR-OAHLLOKOSA-N 0 3 387.444 -0.177 20 0 GBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000737057759 599512096 /nfs/dbraw/zinc/51/20/96/599512096.db2.gz IWYUCSLXUJLUTD-UHFFFAOYSA-N 0 3 382.384 -0.141 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737165424 598526003 /nfs/dbraw/zinc/52/60/03/598526003.db2.gz JLVCIRRVDLYZIP-GHMZBOCLSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737165424 598526001 /nfs/dbraw/zinc/52/60/01/598526001.db2.gz JLVCIRRVDLYZIP-GHMZBOCLSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737165425 598525996 /nfs/dbraw/zinc/52/59/96/598525996.db2.gz JLVCIRRVDLYZIP-MNOVXSKESA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737165425 598525994 /nfs/dbraw/zinc/52/59/94/598525994.db2.gz JLVCIRRVDLYZIP-MNOVXSKESA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737165426 598526204 /nfs/dbraw/zinc/52/62/04/598526204.db2.gz JLVCIRRVDLYZIP-QWRGUYRKSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737165426 598526202 /nfs/dbraw/zinc/52/62/02/598526202.db2.gz JLVCIRRVDLYZIP-QWRGUYRKSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737165427 598526034 /nfs/dbraw/zinc/52/60/34/598526034.db2.gz JLVCIRRVDLYZIP-WDEREUQCSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737165427 598526033 /nfs/dbraw/zinc/52/60/33/598526033.db2.gz JLVCIRRVDLYZIP-WDEREUQCSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)NCCN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737169489 598427367 /nfs/dbraw/zinc/42/73/67/598427367.db2.gz ZIAUMEUWYZEEAY-UHFFFAOYSA-N 0 3 379.490 -0.076 20 0 GBADHN CS(=O)(=O)NCCN1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737169489 598427366 /nfs/dbraw/zinc/42/73/66/598427366.db2.gz ZIAUMEUWYZEEAY-UHFFFAOYSA-N 0 3 379.490 -0.076 20 0 GBADHN CN(C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737367518 600466548 /nfs/dbraw/zinc/46/65/48/600466548.db2.gz MCNKTBWIVQMDAQ-UHFFFAOYSA-N 0 3 377.445 -0.491 20 0 GBADHN Cn1cc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(=O)n(C)c1=O ZINC000737602631 598467033 /nfs/dbraw/zinc/46/70/33/598467033.db2.gz RKZVUUJZVPULED-UHFFFAOYSA-N 0 3 397.443 -0.582 20 0 GBADHN Cn1cc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(=O)n(C)c1=O ZINC000737602631 598467032 /nfs/dbraw/zinc/46/70/32/598467032.db2.gz RKZVUUJZVPULED-UHFFFAOYSA-N 0 3 397.443 -0.582 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC000737741984 598287046 /nfs/dbraw/zinc/28/70/46/598287046.db2.gz DLGGZMCPZATGBK-CYBMUJFWSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC000737741984 598287044 /nfs/dbraw/zinc/28/70/44/598287044.db2.gz DLGGZMCPZATGBK-CYBMUJFWSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC000737741984 598287041 /nfs/dbraw/zinc/28/70/41/598287041.db2.gz DLGGZMCPZATGBK-CYBMUJFWSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC000737741984 598287039 /nfs/dbraw/zinc/28/70/39/598287039.db2.gz DLGGZMCPZATGBK-CYBMUJFWSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNCc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC000737741988 598286524 /nfs/dbraw/zinc/28/65/24/598286524.db2.gz DLGGZMCPZATGBK-ZDUSSCGKSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNCc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC000737741988 598286522 /nfs/dbraw/zinc/28/65/22/598286522.db2.gz DLGGZMCPZATGBK-ZDUSSCGKSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNCc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC000737741988 598286520 /nfs/dbraw/zinc/28/65/20/598286520.db2.gz DLGGZMCPZATGBK-ZDUSSCGKSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNCc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC000737741988 598286518 /nfs/dbraw/zinc/28/65/18/598286518.db2.gz DLGGZMCPZATGBK-ZDUSSCGKSA-N 0 3 384.448 -0.414 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737743793 598556253 /nfs/dbraw/zinc/55/62/53/598556253.db2.gz KBBNTGBEFZCGHX-CYBMUJFWSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737743793 598556252 /nfs/dbraw/zinc/55/62/52/598556252.db2.gz KBBNTGBEFZCGHX-CYBMUJFWSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737743793 598556251 /nfs/dbraw/zinc/55/62/51/598556251.db2.gz KBBNTGBEFZCGHX-CYBMUJFWSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737743793 598556250 /nfs/dbraw/zinc/55/62/50/598556250.db2.gz KBBNTGBEFZCGHX-CYBMUJFWSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737743795 598556293 /nfs/dbraw/zinc/55/62/93/598556293.db2.gz KBBNTGBEFZCGHX-ZDUSSCGKSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737743795 598556291 /nfs/dbraw/zinc/55/62/91/598556291.db2.gz KBBNTGBEFZCGHX-ZDUSSCGKSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737743795 598556290 /nfs/dbraw/zinc/55/62/90/598556290.db2.gz KBBNTGBEFZCGHX-ZDUSSCGKSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737743795 598556288 /nfs/dbraw/zinc/55/62/88/598556288.db2.gz KBBNTGBEFZCGHX-ZDUSSCGKSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737747718 598556550 /nfs/dbraw/zinc/55/65/50/598556550.db2.gz WTNQTGOONGSCIJ-AWEZNQCLSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737747718 598556548 /nfs/dbraw/zinc/55/65/48/598556548.db2.gz WTNQTGOONGSCIJ-AWEZNQCLSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737747718 598556547 /nfs/dbraw/zinc/55/65/47/598556547.db2.gz WTNQTGOONGSCIJ-AWEZNQCLSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737747718 598556545 /nfs/dbraw/zinc/55/65/45/598556545.db2.gz WTNQTGOONGSCIJ-AWEZNQCLSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737747720 598556683 /nfs/dbraw/zinc/55/66/83/598556683.db2.gz WTNQTGOONGSCIJ-CQSZACIVSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737747720 598556682 /nfs/dbraw/zinc/55/66/82/598556682.db2.gz WTNQTGOONGSCIJ-CQSZACIVSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737747720 598556681 /nfs/dbraw/zinc/55/66/81/598556681.db2.gz WTNQTGOONGSCIJ-CQSZACIVSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737747720 598556679 /nfs/dbraw/zinc/55/66/79/598556679.db2.gz WTNQTGOONGSCIJ-CQSZACIVSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737748397 598376304 /nfs/dbraw/zinc/37/63/04/598376304.db2.gz YWOOJFWEUNSCAI-AWEZNQCLSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737748397 598376303 /nfs/dbraw/zinc/37/63/03/598376303.db2.gz YWOOJFWEUNSCAI-AWEZNQCLSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737748398 598376633 /nfs/dbraw/zinc/37/66/33/598376633.db2.gz YWOOJFWEUNSCAI-CQSZACIVSA-N 0 3 387.444 -0.051 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737748398 598376631 /nfs/dbraw/zinc/37/66/31/598376631.db2.gz YWOOJFWEUNSCAI-CQSZACIVSA-N 0 3 387.444 -0.051 20 0 GBADHN NS(=O)(=O)C[C@H]1CCCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737763713 598897925 /nfs/dbraw/zinc/89/79/25/598897925.db2.gz GKGGNZJWIPIBDI-GXTWGEPZSA-N 0 3 396.473 -0.393 20 0 GBADHN NS(=O)(=O)C[C@H]1CCCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737763716 598897838 /nfs/dbraw/zinc/89/78/38/598897838.db2.gz GKGGNZJWIPIBDI-JSGCOSHPSA-N 0 3 396.473 -0.393 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737763718 598897991 /nfs/dbraw/zinc/89/79/91/598897991.db2.gz GKGGNZJWIPIBDI-OCCSQVGLSA-N 0 3 396.473 -0.393 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737763720 598897855 /nfs/dbraw/zinc/89/78/55/598897855.db2.gz GKGGNZJWIPIBDI-TZMCWYRMSA-N 0 3 396.473 -0.393 20 0 GBADHN NS(=O)(=O)C1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737764774 598568732 /nfs/dbraw/zinc/56/87/32/598568732.db2.gz OUVUNVNYBMBDBA-UHFFFAOYSA-N 0 3 379.446 -0.052 20 0 GBADHN NS(=O)(=O)NC[C@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737766777 598377723 /nfs/dbraw/zinc/37/77/23/598377723.db2.gz WFSDSLXEVHARPO-GFCCVEGCSA-N 0 3 381.462 -0.249 20 0 GBADHN NS(=O)(=O)NC[C@@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737766778 598377793 /nfs/dbraw/zinc/37/77/93/598377793.db2.gz WFSDSLXEVHARPO-LBPRGKRZSA-N 0 3 381.462 -0.249 20 0 GBADHN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000737960380 599038496 /nfs/dbraw/zinc/03/84/96/599038496.db2.gz FIRWSVLSIIBHMQ-KRWDZBQOSA-N 0 3 385.472 -0.068 20 0 GBADHN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000737960381 599038260 /nfs/dbraw/zinc/03/82/60/599038260.db2.gz FIRWSVLSIIBHMQ-QGZVFWFLSA-N 0 3 385.472 -0.068 20 0 GBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738036786 598637418 /nfs/dbraw/zinc/63/74/18/598637418.db2.gz FCHYXVSIYUEQIO-GFCCVEGCSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738036786 598637416 /nfs/dbraw/zinc/63/74/16/598637416.db2.gz FCHYXVSIYUEQIO-GFCCVEGCSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738036788 598637019 /nfs/dbraw/zinc/63/70/19/598637019.db2.gz FCHYXVSIYUEQIO-LBPRGKRZSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738036788 598637017 /nfs/dbraw/zinc/63/70/17/598637017.db2.gz FCHYXVSIYUEQIO-LBPRGKRZSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050593 599283903 /nfs/dbraw/zinc/28/39/03/599283903.db2.gz COUGZAWJCKTFAA-NEPJUHHUSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050593 599283902 /nfs/dbraw/zinc/28/39/02/599283902.db2.gz COUGZAWJCKTFAA-NEPJUHHUSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050596 599283876 /nfs/dbraw/zinc/28/38/76/599283876.db2.gz COUGZAWJCKTFAA-NWDGAFQWSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050596 599283873 /nfs/dbraw/zinc/28/38/73/599283873.db2.gz COUGZAWJCKTFAA-NWDGAFQWSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050598 599284189 /nfs/dbraw/zinc/28/41/89/599284189.db2.gz COUGZAWJCKTFAA-RYUDHWBXSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050598 599284187 /nfs/dbraw/zinc/28/41/87/599284187.db2.gz COUGZAWJCKTFAA-RYUDHWBXSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050600 599284181 /nfs/dbraw/zinc/28/41/81/599284181.db2.gz COUGZAWJCKTFAA-VXGBXAGGSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738050600 599284179 /nfs/dbraw/zinc/28/41/79/599284179.db2.gz COUGZAWJCKTFAA-VXGBXAGGSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738064439 598908561 /nfs/dbraw/zinc/90/85/61/598908561.db2.gz AWSXDAIOHFOYTM-UHFFFAOYSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738064439 598908559 /nfs/dbraw/zinc/90/85/59/598908559.db2.gz AWSXDAIOHFOYTM-UHFFFAOYSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC1CC[NH+](CCO)CC1 ZINC000738074614 598733068 /nfs/dbraw/zinc/73/30/68/598733068.db2.gz KFIYFVXCWXULQH-UHFFFAOYSA-N 0 3 375.437 -0.571 20 0 GBADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)NC1CC[NH+](CCO)CC1 ZINC000738077186 598733084 /nfs/dbraw/zinc/73/30/84/598733084.db2.gz BLROYISEWSAGGD-UHFFFAOYSA-N 0 3 375.437 -0.571 20 0 GBADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1CC(F)(F)F ZINC000738290576 598749533 /nfs/dbraw/zinc/74/95/33/598749533.db2.gz QSKIMUBPJYLPAQ-PSASIEDQSA-N 0 3 385.354 -0.142 20 0 GBADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1CC(F)(F)F ZINC000738290577 598749729 /nfs/dbraw/zinc/74/97/29/598749729.db2.gz QSKIMUBPJYLPAQ-SCZZXKLOSA-N 0 3 385.354 -0.142 20 0 GBADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1CC(F)(F)F ZINC000738290578 598749701 /nfs/dbraw/zinc/74/97/01/598749701.db2.gz QSKIMUBPJYLPAQ-WCBMZHEXSA-N 0 3 385.354 -0.142 20 0 GBADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1CC(F)(F)F ZINC000738290579 598749821 /nfs/dbraw/zinc/74/98/21/598749821.db2.gz QSKIMUBPJYLPAQ-WPRPVWTQSA-N 0 3 385.354 -0.142 20 0 GBADHN O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NCC1CCC1 ZINC000738329141 598597464 /nfs/dbraw/zinc/59/74/64/598597464.db2.gz CCVFQKPOVHZOLT-GFCCVEGCSA-N 0 3 395.493 -0.586 20 0 GBADHN O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCC1CCC1 ZINC000738329141 598597462 /nfs/dbraw/zinc/59/74/62/598597462.db2.gz CCVFQKPOVHZOLT-GFCCVEGCSA-N 0 3 395.493 -0.586 20 0 GBADHN O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NCC1CCC1 ZINC000738329142 598597162 /nfs/dbraw/zinc/59/71/62/598597162.db2.gz CCVFQKPOVHZOLT-LBPRGKRZSA-N 0 3 395.493 -0.586 20 0 GBADHN O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCC1CCC1 ZINC000738329142 598597161 /nfs/dbraw/zinc/59/71/61/598597161.db2.gz CCVFQKPOVHZOLT-LBPRGKRZSA-N 0 3 395.493 -0.586 20 0 GBADHN O=S1(=O)CCCN1CCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738359288 598531334 /nfs/dbraw/zinc/53/13/34/598531334.db2.gz ZAYCJPPOIBLQRP-LLVKDONJSA-N 0 3 381.466 -0.880 20 0 GBADHN O=S1(=O)CCCN1CCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738359288 598531332 /nfs/dbraw/zinc/53/13/32/598531332.db2.gz ZAYCJPPOIBLQRP-LLVKDONJSA-N 0 3 381.466 -0.880 20 0 GBADHN O=S1(=O)CCCN1CCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738359291 598531424 /nfs/dbraw/zinc/53/14/24/598531424.db2.gz ZAYCJPPOIBLQRP-NSHDSACASA-N 0 3 381.466 -0.880 20 0 GBADHN O=S1(=O)CCCN1CCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738359291 598531422 /nfs/dbraw/zinc/53/14/22/598531422.db2.gz ZAYCJPPOIBLQRP-NSHDSACASA-N 0 3 381.466 -0.880 20 0 GBADHN OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738397320 598525554 /nfs/dbraw/zinc/52/55/54/598525554.db2.gz QDEMUDGBCXUTML-BXUZGUMPSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738397320 598525552 /nfs/dbraw/zinc/52/55/52/598525552.db2.gz QDEMUDGBCXUTML-BXUZGUMPSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738397323 598525834 /nfs/dbraw/zinc/52/58/34/598525834.db2.gz QDEMUDGBCXUTML-FZMZJTMJSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738397323 598525833 /nfs/dbraw/zinc/52/58/33/598525833.db2.gz QDEMUDGBCXUTML-FZMZJTMJSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738397329 598525561 /nfs/dbraw/zinc/52/55/61/598525561.db2.gz QDEMUDGBCXUTML-RISCZKNCSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738397329 598525559 /nfs/dbraw/zinc/52/55/59/598525559.db2.gz QDEMUDGBCXUTML-RISCZKNCSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738397335 598525668 /nfs/dbraw/zinc/52/56/68/598525668.db2.gz QDEMUDGBCXUTML-SMDDNHRTSA-N 0 3 384.448 -0.039 20 0 GBADHN OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738397335 598525666 /nfs/dbraw/zinc/52/56/66/598525666.db2.gz QDEMUDGBCXUTML-SMDDNHRTSA-N 0 3 384.448 -0.039 20 0 GBADHN c1ncn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cn2)n1 ZINC000738449583 598523503 /nfs/dbraw/zinc/52/35/03/598523503.db2.gz JMJOTNYFCNKNFY-GFCCVEGCSA-N 0 3 378.404 -0.130 20 0 GBADHN c1ncn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cn2)n1 ZINC000738449583 598523502 /nfs/dbraw/zinc/52/35/02/598523502.db2.gz JMJOTNYFCNKNFY-GFCCVEGCSA-N 0 3 378.404 -0.130 20 0 GBADHN c1ncn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cn2)n1 ZINC000738449585 598523612 /nfs/dbraw/zinc/52/36/12/598523612.db2.gz JMJOTNYFCNKNFY-LBPRGKRZSA-N 0 3 378.404 -0.130 20 0 GBADHN c1ncn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cn2)n1 ZINC000738449585 598523610 /nfs/dbraw/zinc/52/36/10/598523610.db2.gz JMJOTNYFCNKNFY-LBPRGKRZSA-N 0 3 378.404 -0.130 20 0 GBADHN C[NH+]1CCC(N2CCC(NC(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)CC1 ZINC000739730734 603021026 /nfs/dbraw/zinc/02/10/26/603021026.db2.gz ZMELZQSMYXAMLL-UHFFFAOYSA-N 0 3 381.477 -0.517 20 0 GBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1 ZINC000739957887 637388641 /nfs/dbraw/zinc/38/86/41/637388641.db2.gz NLDRILUADCDOBP-UHFFFAOYSA-N 0 3 376.523 -0.172 20 0 GBADHN CS(=O)(=O)CCOCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000745853796 637642295 /nfs/dbraw/zinc/64/22/95/637642295.db2.gz CANDXSSUSWICGZ-UHFFFAOYSA-N 0 3 377.507 -0.199 20 0 GBADHN CC(C)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000746318024 637644297 /nfs/dbraw/zinc/64/42/97/637644297.db2.gz XXFNMXBBZJHOMP-RBSFLKMASA-N 0 3 376.523 -0.142 20 0 GBADHN CC(C)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000746318025 637644502 /nfs/dbraw/zinc/64/45/02/637644502.db2.gz XXFNMXBBZJHOMP-SOUVJXGZSA-N 0 3 376.523 -0.142 20 0 GBADHN COC1CCN(CCNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000751083490 637669226 /nfs/dbraw/zinc/66/92/26/637669226.db2.gz GBKSFQMAQXDEQA-UHFFFAOYSA-N 0 3 378.495 -0.942 20 0 GBADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000751172069 637669834 /nfs/dbraw/zinc/66/98/34/637669834.db2.gz NFQGHLVSUFOSRS-AWEZNQCLSA-N 0 3 378.495 -0.558 20 0 GBADHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)sc1S(N)(=O)=O ZINC000756035193 637699653 /nfs/dbraw/zinc/69/96/53/637699653.db2.gz RMBBUNBKAPOVBN-NXEZZACHSA-N 0 3 375.472 -0.003 20 0 GBADHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)sc1S(N)(=O)=O ZINC000756035198 637699391 /nfs/dbraw/zinc/69/93/91/637699391.db2.gz RMBBUNBKAPOVBN-UWVGGRQHSA-N 0 3 375.472 -0.003 20 0 GBADHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)sc1S(N)(=O)=O ZINC000756035200 637699797 /nfs/dbraw/zinc/69/97/97/637699797.db2.gz RMBBUNBKAPOVBN-VHSXEESVSA-N 0 3 375.472 -0.003 20 0 GBADHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)sc1S(N)(=O)=O ZINC000756035204 637699614 /nfs/dbraw/zinc/69/96/14/637699614.db2.gz RMBBUNBKAPOVBN-ZJUUUORDSA-N 0 3 375.472 -0.003 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000762715288 637731004 /nfs/dbraw/zinc/73/10/04/637731004.db2.gz BAPFFDIRMYJDBL-CYBMUJFWSA-N 0 3 392.275 -0.107 20 0 GBADHN CN1CC[C@](O)(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000762715289 637730751 /nfs/dbraw/zinc/73/07/51/637730751.db2.gz BAPFFDIRMYJDBL-ZDUSSCGKSA-N 0 3 392.275 -0.107 20 0 GBADHN CN(C)C1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000763023745 637731409 /nfs/dbraw/zinc/73/14/09/637731409.db2.gz FMNZFLOFPKAODS-CYBMUJFWSA-N 0 3 393.531 -0.868 20 0 GBADHN CN(C)C1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000763023747 637731749 /nfs/dbraw/zinc/73/17/49/637731749.db2.gz FMNZFLOFPKAODS-ZDUSSCGKSA-N 0 3 393.531 -0.868 20 0 GBADHN CN1CC[C@](O)(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000763061105 637731593 /nfs/dbraw/zinc/73/15/93/637731593.db2.gz WVUZAUGPJDSVJA-AWEZNQCLSA-N 0 3 384.449 -0.383 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000763061109 637732359 /nfs/dbraw/zinc/73/23/59/637732359.db2.gz WVUZAUGPJDSVJA-CQSZACIVSA-N 0 3 384.449 -0.383 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000763155436 637732376 /nfs/dbraw/zinc/73/23/76/637732376.db2.gz VTFLMUVZCTXHFZ-GFCCVEGCSA-N 0 3 388.412 -0.334 20 0 GBADHN CN1CC[C@](O)(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000763155442 637732450 /nfs/dbraw/zinc/73/24/50/637732450.db2.gz VTFLMUVZCTXHFZ-LBPRGKRZSA-N 0 3 388.412 -0.334 20 0 GBADHN C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000763301140 637732658 /nfs/dbraw/zinc/73/26/58/637732658.db2.gz KGDUHDFRRWZNIP-KBPBESRZSA-N 0 3 377.580 -0.632 20 0 GBADHN C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000763301144 637732854 /nfs/dbraw/zinc/73/28/54/637732854.db2.gz KGDUHDFRRWZNIP-KGLIPLIRSA-N 0 3 377.580 -0.632 20 0 GBADHN C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000763301148 637733000 /nfs/dbraw/zinc/73/30/00/637733000.db2.gz KGDUHDFRRWZNIP-UONOGXRCSA-N 0 3 377.580 -0.632 20 0 GBADHN C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000763301153 637732680 /nfs/dbraw/zinc/73/26/80/637732680.db2.gz KGDUHDFRRWZNIP-ZIAGYGMSSA-N 0 3 377.580 -0.632 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764401531 637738317 /nfs/dbraw/zinc/73/83/17/637738317.db2.gz NWRVWUGAYYCHTP-CABCVRRESA-N 0 3 375.539 -0.407 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764401535 637738266 /nfs/dbraw/zinc/73/82/66/637738266.db2.gz NWRVWUGAYYCHTP-GJZGRUSLSA-N 0 3 375.539 -0.407 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764401537 637738504 /nfs/dbraw/zinc/73/85/04/637738504.db2.gz NWRVWUGAYYCHTP-HUUCEWRRSA-N 0 3 375.539 -0.407 20 0 GBADHN CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764401539 637738464 /nfs/dbraw/zinc/73/84/64/637738464.db2.gz NWRVWUGAYYCHTP-LSDHHAIUSA-N 0 3 375.539 -0.407 20 0 GBADHN CC(C)N1CCC(O)(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766836800 637750782 /nfs/dbraw/zinc/75/07/82/637750782.db2.gz AAGBYDAWVCQMSB-UHFFFAOYSA-N 0 3 377.507 -0.105 20 0 GBADHN COCCN(C(=O)CONC(=N)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000768934932 637765343 /nfs/dbraw/zinc/76/53/43/637765343.db2.gz PWMQJIUEOUCEIH-GFCCVEGCSA-N 0 3 379.479 -0.038 20 0 GBADHN COCCN(C(=O)CONC(=N)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000768934933 637765171 /nfs/dbraw/zinc/76/51/71/637765171.db2.gz PWMQJIUEOUCEIH-LBPRGKRZSA-N 0 3 379.479 -0.038 20 0 GBADHN CCN(CCO)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000769510532 637768449 /nfs/dbraw/zinc/76/84/49/637768449.db2.gz UGYJFPKSXNXUFN-UHFFFAOYSA-N 0 3 386.465 -0.136 20 0 GBADHN CCN(CCO)CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000769518326 637768337 /nfs/dbraw/zinc/76/83/37/637768337.db2.gz WUNBZVGIARREOX-UHFFFAOYSA-N 0 3 390.428 -0.086 20 0 GBADHN COCCCS(=O)(=O)N1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000769797008 637770872 /nfs/dbraw/zinc/77/08/72/637770872.db2.gz XJLJHSRZLAQKGI-UHFFFAOYSA-N 0 3 378.564 -0.061 20 0 GBADHN COC(=O)CC(C)(C)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000770190659 637773383 /nfs/dbraw/zinc/77/33/83/637773383.db2.gz XHQGILFAVVRCLQ-CYBMUJFWSA-N 0 3 375.491 -0.751 20 0 GBADHN COC(=O)CC(C)(C)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000770190669 637773691 /nfs/dbraw/zinc/77/36/91/637773691.db2.gz XHQGILFAVVRCLQ-ZDUSSCGKSA-N 0 3 375.491 -0.751 20 0 GBADHN CN1CCN(CCC(C)(C)NC(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000771326380 637778381 /nfs/dbraw/zinc/77/83/81/637778381.db2.gz IQCQYNBPZOVICI-UHFFFAOYSA-N 0 3 378.539 -0.237 20 0 GBADHN CC(C)(C)OC(=O)NCCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000775010432 637798084 /nfs/dbraw/zinc/79/80/84/637798084.db2.gz BDFQSQBALVLWEG-KBPBESRZSA-N 0 3 377.507 -0.011 20 0 GBADHN CC(C)(C)OC(=O)NCCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000775010433 637798191 /nfs/dbraw/zinc/79/81/91/637798191.db2.gz BDFQSQBALVLWEG-KGLIPLIRSA-N 0 3 377.507 -0.011 20 0 GBADHN CC(C)(C)OC(=O)NCCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000775010434 637798276 /nfs/dbraw/zinc/79/82/76/637798276.db2.gz BDFQSQBALVLWEG-UONOGXRCSA-N 0 3 377.507 -0.011 20 0 GBADHN CC(C)(C)OC(=O)NCCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000775010435 637797944 /nfs/dbraw/zinc/79/79/44/637797944.db2.gz BDFQSQBALVLWEG-ZIAGYGMSSA-N 0 3 377.507 -0.011 20 0 GBADHN CC(C)N1CCO[C@H](C(=N)NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000779646419 637821177 /nfs/dbraw/zinc/82/11/77/637821177.db2.gz PNMXZMZYRTUGBW-AVGNSLFASA-N 0 3 376.479 -0.714 20 0 GBADHN CC(C)N1CCO[C@@H](C(=N)NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000779646421 637821219 /nfs/dbraw/zinc/82/12/19/637821219.db2.gz PNMXZMZYRTUGBW-RWMBFGLXSA-N 0 3 376.479 -0.714 20 0 GBADHN CC(C)N1CCO[C@H](C(=N)NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000779646422 637821371 /nfs/dbraw/zinc/82/13/71/637821371.db2.gz PNMXZMZYRTUGBW-XQQFMLRXSA-N 0 3 376.479 -0.714 20 0 GBADHN CC(C)N1CCO[C@@H](C(=N)NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000779646424 637820992 /nfs/dbraw/zinc/82/09/92/637820992.db2.gz PNMXZMZYRTUGBW-YNEHKIRRSA-N 0 3 376.479 -0.714 20 0 GBADHN CN(CCCNC(=O)CN1CCC[C@H](C2(C)OCCO2)C1)S(C)(=O)=O ZINC000784578281 637841112 /nfs/dbraw/zinc/84/11/12/637841112.db2.gz OMDMQFUPOJIYJN-AWEZNQCLSA-N 0 3 377.507 -0.141 20 0 GBADHN CN(CCCNC(=O)CN1CCC[C@@H](C2(C)OCCO2)C1)S(C)(=O)=O ZINC000784578282 637841226 /nfs/dbraw/zinc/84/12/26/637841226.db2.gz OMDMQFUPOJIYJN-CQSZACIVSA-N 0 3 377.507 -0.141 20 0 GBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000784712226 637842041 /nfs/dbraw/zinc/84/20/41/637842041.db2.gz CZIZVKGQHMYBNU-HNNXBMFYSA-N 0 3 376.523 -0.314 20 0 GBADHN CCN1CCN([C@H](C)CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000784712327 637841781 /nfs/dbraw/zinc/84/17/81/637841781.db2.gz CZIZVKGQHMYBNU-OAHLLOKOSA-N 0 3 376.523 -0.314 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000785217286 1072696811 /nfs/dbraw/zinc/69/68/11/1072696811.db2.gz BILUAQUJGZEVFV-KGLIPLIRSA-N 0 3 397.501 -0.049 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCOCC(N)=O)cc2)CC1 ZINC000785250859 1073239966 /nfs/dbraw/zinc/23/99/66/1073239966.db2.gz XJBGOIRAXKNLEI-UHFFFAOYSA-N 0 3 377.445 -0.615 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)cc2)CC1 ZINC000785282094 1073445162 /nfs/dbraw/zinc/44/51/62/1073445162.db2.gz CRQARKAXTGGRFG-INIZCTEOSA-N 0 3 391.472 -0.226 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](CCOC)C(N)=O)cc2)CC1 ZINC000785282095 1073445317 /nfs/dbraw/zinc/44/53/17/1073445317.db2.gz CRQARKAXTGGRFG-MRXNPFEDSA-N 0 3 391.472 -0.226 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NN3CC(=O)N(C)C3=O)cc2)CC1 ZINC000785304306 1073505989 /nfs/dbraw/zinc/50/59/89/1073505989.db2.gz GNCHOOGPVGAGMX-UHFFFAOYSA-N 0 3 388.428 -0.308 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000785340231 1073567669 /nfs/dbraw/zinc/56/76/69/1073567669.db2.gz JWPWKAFYDVVNPY-IRXDYDNUSA-N 0 3 376.457 -0.279 20 0 GBADHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1nc2c([n-]1)n(C)c(=O)n(C)c2=O ZINC000785353320 1073587503 /nfs/dbraw/zinc/58/75/03/1073587503.db2.gz HVKXQQWZCHJQBF-CYBMUJFWSA-N 0 3 393.444 -0.203 20 0 GBADHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1nc2c([n-]1)n(C)c(=O)n(C)c2=O ZINC000785353326 1073587383 /nfs/dbraw/zinc/58/73/83/1073587383.db2.gz HVKXQQWZCHJQBF-ZDUSSCGKSA-N 0 3 393.444 -0.203 20 0 GBADHN Cn1nc(Br)cc1CNCCN1CCN(S(C)(=O)=O)CC1 ZINC000785456923 637845606 /nfs/dbraw/zinc/84/56/06/637845606.db2.gz ZYXNFEDUXLUKEE-UHFFFAOYSA-N 0 3 380.312 -0.151 20 0 GBADHN CN(C)Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000788611440 637862324 /nfs/dbraw/zinc/86/23/24/637862324.db2.gz LYYYNJLHYRYVDZ-UHFFFAOYSA-N 0 3 391.515 -0.312 20 0 GBADHN CCOC(=O)N1CCN(S(=O)(=O)NCCN2CCN(CC)CC2)CC1 ZINC000788674750 637862425 /nfs/dbraw/zinc/86/24/25/637862425.db2.gz HLLQBEKKKFUGHS-UHFFFAOYSA-N 0 3 377.511 -0.768 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000788897132 637863320 /nfs/dbraw/zinc/86/33/20/637863320.db2.gz POYAMLMZZOKSGI-AWEZNQCLSA-N 0 3 376.523 -0.235 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000788897133 637863280 /nfs/dbraw/zinc/86/32/80/637863280.db2.gz POYAMLMZZOKSGI-CQSZACIVSA-N 0 3 376.523 -0.235 20 0 GBADHN CCC(CC)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N(C)C ZINC000788918284 637864136 /nfs/dbraw/zinc/86/41/36/637864136.db2.gz GLFUDDUNBOHPBM-AWEZNQCLSA-N 0 3 384.568 -0.236 20 0 GBADHN CCC(CC)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)N(C)C ZINC000788918302 637864009 /nfs/dbraw/zinc/86/40/09/637864009.db2.gz GLFUDDUNBOHPBM-CQSZACIVSA-N 0 3 384.568 -0.236 20 0 GBADHN CCN(CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1)S(C)(=O)=O ZINC000793712610 637882926 /nfs/dbraw/zinc/88/29/26/637882926.db2.gz JUAWHHQYWIJYLC-AWEZNQCLSA-N 0 3 376.523 -0.235 20 0 GBADHN CCN(CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)S(C)(=O)=O ZINC000793712618 637883110 /nfs/dbraw/zinc/88/31/10/637883110.db2.gz JUAWHHQYWIJYLC-CQSZACIVSA-N 0 3 376.523 -0.235 20 0 GBADHN COC(=O)/C=C1\SCC(=O)N1CCCN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794786230 637888309 /nfs/dbraw/zinc/88/83/09/637888309.db2.gz OFJGVYKFMPIJDO-CJAAZZPWSA-N 0 3 391.515 -0.068 20 0 GBADHN COC(=O)/C=C1\SCC(=O)N1CCCN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794786232 637888021 /nfs/dbraw/zinc/88/80/21/637888021.db2.gz OFJGVYKFMPIJDO-OJLMPMFISA-N 0 3 391.515 -0.068 20 0 GBADHN CN1CCN(CCNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1(C)C ZINC000799824182 637911231 /nfs/dbraw/zinc/91/12/31/637911231.db2.gz QTVJPJUIFMIQQD-UHFFFAOYSA-N 0 3 376.523 -0.314 20 0 GBADHN CN(CCCNC(=O)COC(=O)C1CCN(C2CC2)CC1)S(C)(=O)=O ZINC000801872662 638370444 /nfs/dbraw/zinc/37/04/44/638370444.db2.gz CQSRGVNLYMAZDH-UHFFFAOYSA-N 0 3 375.491 -0.198 20 0 GBADHN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059215 637922404 /nfs/dbraw/zinc/92/24/04/637922404.db2.gz IBDIYGWGDLBNAW-KBPBESRZSA-N 0 3 375.491 -0.753 20 0 GBADHN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059216 637922481 /nfs/dbraw/zinc/92/24/81/637922481.db2.gz IBDIYGWGDLBNAW-KGLIPLIRSA-N 0 3 375.491 -0.753 20 0 GBADHN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804059217 637922658 /nfs/dbraw/zinc/92/26/58/637922658.db2.gz IBDIYGWGDLBNAW-UONOGXRCSA-N 0 3 375.491 -0.753 20 0 GBADHN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804059218 637922418 /nfs/dbraw/zinc/92/24/18/637922418.db2.gz IBDIYGWGDLBNAW-ZIAGYGMSSA-N 0 3 375.491 -0.753 20 0 GBADHN CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H](C)CS(C)(=O)=O ZINC000804060305 637922510 /nfs/dbraw/zinc/92/25/10/637922510.db2.gz NSKMUUPHZXQVLP-BFHYXJOUSA-N 0 3 375.491 -0.753 20 0 GBADHN CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H](C)CS(C)(=O)=O ZINC000804060306 637922445 /nfs/dbraw/zinc/92/24/45/637922445.db2.gz NSKMUUPHZXQVLP-HZSPNIEDSA-N 0 3 375.491 -0.753 20 0 GBADHN CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H](C)CS(C)(=O)=O ZINC000804060308 637922490 /nfs/dbraw/zinc/92/24/90/637922490.db2.gz NSKMUUPHZXQVLP-MELADBBJSA-N 0 3 375.491 -0.753 20 0 GBADHN CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](C)CS(C)(=O)=O ZINC000804060310 637922665 /nfs/dbraw/zinc/92/26/65/637922665.db2.gz NSKMUUPHZXQVLP-MGPQQGTHSA-N 0 3 375.491 -0.753 20 0 GBADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804060647 637922579 /nfs/dbraw/zinc/92/25/79/637922579.db2.gz PGIOBQFSCZFORS-RFGFWPKPSA-N 0 3 375.491 -0.754 20 0 GBADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804060651 637922462 /nfs/dbraw/zinc/92/24/62/637922462.db2.gz PGIOBQFSCZFORS-RQJABVFESA-N 0 3 375.491 -0.754 20 0 GBADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804060652 637922313 /nfs/dbraw/zinc/92/23/13/637922313.db2.gz PGIOBQFSCZFORS-XJFOESAGSA-N 0 3 375.491 -0.754 20 0 GBADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804060654 637922543 /nfs/dbraw/zinc/92/25/43/637922543.db2.gz PGIOBQFSCZFORS-ZOBORPQBSA-N 0 3 375.491 -0.754 20 0 GBADHN CC(C)(C)Nc1nc(NCCS(C)(=O)=O)nc(NCCS(C)(=O)=O)n1 ZINC000804368044 637923887 /nfs/dbraw/zinc/92/38/87/637923887.db2.gz YGFLUSIHMLCXBL-UHFFFAOYSA-N 0 3 394.523 -0.005 20 0 GBADHN CN(CCOC(=O)C1CCN(C2CC2)CC1)S(=O)(=O)N1CCOCC1 ZINC000805878853 637863342 /nfs/dbraw/zinc/86/33/42/637863342.db2.gz VJXPMKUNDKNYMN-UHFFFAOYSA-N 0 3 375.491 -0.087 20 0 GBADHN CCN(CCS(C)(=O)=O)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000806785553 637351936 /nfs/dbraw/zinc/35/19/36/637351936.db2.gz NLBAUIFYWJORCS-UHFFFAOYSA-N 0 3 376.523 -0.978 20 0 GBADHN CN(C)CCN(C)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807781082 637934548 /nfs/dbraw/zinc/93/45/48/637934548.db2.gz BQQOJFMRMMSDOR-UHFFFAOYSA-N 0 3 388.412 -0.563 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000808174642 637937490 /nfs/dbraw/zinc/93/74/90/637937490.db2.gz UKRUNBIXVIFCPF-MRVPVSSYSA-N 0 3 380.264 -0.251 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000808174646 637937479 /nfs/dbraw/zinc/93/74/79/637937479.db2.gz UKRUNBIXVIFCPF-QMMMGPOBSA-N 0 3 380.264 -0.251 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000808175053 637937472 /nfs/dbraw/zinc/93/74/72/637937472.db2.gz XJIJWXBBBVXGLX-LURJTMIESA-N 0 3 386.293 -0.190 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000808175055 637937411 /nfs/dbraw/zinc/93/74/11/637937411.db2.gz XJIJWXBBBVXGLX-ZCFIWIBFSA-N 0 3 386.293 -0.190 20 0 GBADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H](CO)CN1CCCC1 ZINC000808218128 637937455 /nfs/dbraw/zinc/93/74/55/637937455.db2.gz GDRGXGONMWRNSP-SECBINFHSA-N 0 3 375.223 -0.716 20 0 GBADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@H](CO)CN1CCCC1 ZINC000808218129 637937493 /nfs/dbraw/zinc/93/74/93/637937493.db2.gz GDRGXGONMWRNSP-VIFPVBQESA-N 0 3 375.223 -0.716 20 0 GBADHN CS(=O)(=O)N1CCN(CCNCc2cnc(C3OCCO3)s2)CC1 ZINC000809616229 637942781 /nfs/dbraw/zinc/94/27/81/637942781.db2.gz LKRLSYSQMOIQMN-UHFFFAOYSA-N 0 3 376.504 -0.145 20 0 GBADHN CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000809944771 637945383 /nfs/dbraw/zinc/94/53/83/637945383.db2.gz VDEPCUQCMUPPTN-DOMZBBRYSA-N 0 3 380.511 -0.233 20 0 GBADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000809944772 637945436 /nfs/dbraw/zinc/94/54/36/637945436.db2.gz VDEPCUQCMUPPTN-IUODEOHRSA-N 0 3 380.511 -0.233 20 0 GBADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000809944773 637945254 /nfs/dbraw/zinc/94/52/54/637945254.db2.gz VDEPCUQCMUPPTN-SWLSCSKDSA-N 0 3 380.511 -0.233 20 0 GBADHN CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000809944774 637945318 /nfs/dbraw/zinc/94/53/18/637945318.db2.gz VDEPCUQCMUPPTN-WFASDCNBSA-N 0 3 380.511 -0.233 20 0 GBADHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000810194608 637946649 /nfs/dbraw/zinc/94/66/49/637946649.db2.gz ZRLPCDLKUXRXCS-INIZCTEOSA-N 0 3 378.514 -0.108 20 0 GBADHN CC(C)(C)N1CC[C@](F)(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000810194609 637946864 /nfs/dbraw/zinc/94/68/64/637946864.db2.gz ZRLPCDLKUXRXCS-MRXNPFEDSA-N 0 3 378.514 -0.108 20 0 GBADHN Cn1nnc(Br)c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000810345260 637946777 /nfs/dbraw/zinc/94/67/77/637946777.db2.gz STVXEERJHWORCV-UHFFFAOYSA-N 0 3 385.266 -0.042 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000810584147 637948170 /nfs/dbraw/zinc/94/81/70/637948170.db2.gz ACRMZCMFWYEQQV-JTQLQIEISA-N 0 3 385.266 -0.044 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000810584149 637948114 /nfs/dbraw/zinc/94/81/14/637948114.db2.gz ACRMZCMFWYEQQV-SNVBAGLBSA-N 0 3 385.266 -0.044 20 0 GBADHN C[C@H](CC(=O)NC[C@H]1CNCCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012085 637978625 /nfs/dbraw/zinc/97/86/25/637978625.db2.gz RPINUOCEEZZZNH-GHMZBOCLSA-N 0 3 376.866 -0.104 20 0 GBADHN C[C@H](CC(=O)NC[C@@H]1CNCCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012086 637978549 /nfs/dbraw/zinc/97/85/49/637978549.db2.gz RPINUOCEEZZZNH-MNOVXSKESA-N 0 3 376.866 -0.104 20 0 GBADHN C[C@@H](CC(=O)NC[C@@H]1CNCCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012087 637978417 /nfs/dbraw/zinc/97/84/17/637978417.db2.gz RPINUOCEEZZZNH-QWRGUYRKSA-N 0 3 376.866 -0.104 20 0 GBADHN C[C@@H](CC(=O)NC[C@H]1CNCCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012088 637978563 /nfs/dbraw/zinc/97/85/63/637978563.db2.gz RPINUOCEEZZZNH-WDEREUQCSA-N 0 3 376.866 -0.104 20 0 GBADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CNCCS(=O)(=O)N1CCOCC1 ZINC000818987920 637985421 /nfs/dbraw/zinc/98/54/21/637985421.db2.gz AZCIDIIMNHXMOK-HNNXBMFYSA-N 0 3 381.495 -0.486 20 0 GBADHN CC(C)(C)OC(=O)NC[C@](C)(O)CNCCS(=O)(=O)N1CCOCC1 ZINC000818987924 637985496 /nfs/dbraw/zinc/98/54/96/637985496.db2.gz AZCIDIIMNHXMOK-OAHLLOKOSA-N 0 3 381.495 -0.486 20 0 GBADHN O=S(=O)(CCNC[C@H](O)COCc1ccccc1F)N1CCOCC1 ZINC000818988138 637985482 /nfs/dbraw/zinc/98/54/82/637985482.db2.gz DVWAOJQWCGPROI-HNNXBMFYSA-N 0 3 376.450 -0.045 20 0 GBADHN O=S(=O)(CCNC[C@@H](O)COCc1ccccc1F)N1CCOCC1 ZINC000818988141 637985435 /nfs/dbraw/zinc/98/54/35/637985435.db2.gz DVWAOJQWCGPROI-OAHLLOKOSA-N 0 3 376.450 -0.045 20 0 GBADHN CN(C[C@H](O)CNCCS(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000818989360 637985491 /nfs/dbraw/zinc/98/54/91/637985491.db2.gz MCRIAILLVHPEKD-CYBMUJFWSA-N 0 3 381.495 -0.534 20 0 GBADHN CN(C[C@@H](O)CNCCS(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000818989361 637985325 /nfs/dbraw/zinc/98/53/25/637985325.db2.gz MCRIAILLVHPEKD-ZDUSSCGKSA-N 0 3 381.495 -0.534 20 0 GBADHN CC(C)(C)OC(=O)NCC[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000818990117 637985994 /nfs/dbraw/zinc/98/59/94/637985994.db2.gz YIXMUIWCZZHYPK-CYBMUJFWSA-N 0 3 381.495 -0.486 20 0 GBADHN CC(C)(C)OC(=O)NCC[C@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000818990118 637986078 /nfs/dbraw/zinc/98/60/78/637986078.db2.gz YIXMUIWCZZHYPK-ZDUSSCGKSA-N 0 3 381.495 -0.486 20 0 GBADHN CN1CCN(C(=O)CCNCCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000819058977 637986022 /nfs/dbraw/zinc/98/60/22/637986022.db2.gz AUWGKGIXUKHAAA-UHFFFAOYSA-N 0 3 377.507 -0.503 20 0 GBADHN CN(C)C(=O)[C@H]1CC[C@H](CNCCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208836 637988107 /nfs/dbraw/zinc/98/81/07/637988107.db2.gz RUAHXVUICAZSED-CHWSQXEVSA-N 0 3 378.491 -0.032 20 0 GBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNCCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208837 637987795 /nfs/dbraw/zinc/98/77/95/637987795.db2.gz RUAHXVUICAZSED-OLZOCXBDSA-N 0 3 378.491 -0.032 20 0 GBADHN CN(C)C(=O)[C@H]1CC[C@@H](CNCCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208838 637988131 /nfs/dbraw/zinc/98/81/31/637988131.db2.gz RUAHXVUICAZSED-QWHCGFSZSA-N 0 3 378.491 -0.032 20 0 GBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNCCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208839 637988018 /nfs/dbraw/zinc/98/80/18/637988018.db2.gz RUAHXVUICAZSED-STQMWFEESA-N 0 3 378.491 -0.032 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819264059 637988116 /nfs/dbraw/zinc/98/81/16/637988116.db2.gz JRKKEKXTRDDAAK-AWEZNQCLSA-N 0 3 379.504 -0.455 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819264060 637987819 /nfs/dbraw/zinc/98/78/19/637987819.db2.gz JRKKEKXTRDDAAK-CQSZACIVSA-N 0 3 379.504 -0.455 20 0 GBADHN C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857049 606699153 /nfs/dbraw/zinc/69/91/53/606699153.db2.gz OITVPHJFKNLWKM-GHMZBOCLSA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857049 606699150 /nfs/dbraw/zinc/69/91/50/606699150.db2.gz OITVPHJFKNLWKM-GHMZBOCLSA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857050 606699686 /nfs/dbraw/zinc/69/96/86/606699686.db2.gz OITVPHJFKNLWKM-MNOVXSKESA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857050 606699684 /nfs/dbraw/zinc/69/96/84/606699684.db2.gz OITVPHJFKNLWKM-MNOVXSKESA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857051 606699164 /nfs/dbraw/zinc/69/91/64/606699164.db2.gz OITVPHJFKNLWKM-QWRGUYRKSA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857051 606699162 /nfs/dbraw/zinc/69/91/62/606699162.db2.gz OITVPHJFKNLWKM-QWRGUYRKSA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857053 606699465 /nfs/dbraw/zinc/69/94/65/606699465.db2.gz OITVPHJFKNLWKM-WDEREUQCSA-N 0 3 377.453 -0.280 20 0 GBADHN C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857053 606699462 /nfs/dbraw/zinc/69/94/62/606699462.db2.gz OITVPHJFKNLWKM-WDEREUQCSA-N 0 3 377.453 -0.280 20 0 GBADHN CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820134205 606701512 /nfs/dbraw/zinc/70/15/12/606701512.db2.gz WYLLFXCKSSIGSG-SECBINFHSA-N 0 3 378.441 -0.341 20 0 GBADHN CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820134205 606701510 /nfs/dbraw/zinc/70/15/10/606701510.db2.gz WYLLFXCKSSIGSG-SECBINFHSA-N 0 3 378.441 -0.341 20 0 GBADHN CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820134206 606701650 /nfs/dbraw/zinc/70/16/50/606701650.db2.gz WYLLFXCKSSIGSG-VIFPVBQESA-N 0 3 378.441 -0.341 20 0 GBADHN CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820134206 606701649 /nfs/dbraw/zinc/70/16/49/606701649.db2.gz WYLLFXCKSSIGSG-VIFPVBQESA-N 0 3 378.441 -0.341 20 0 GBADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000820154856 607434223 /nfs/dbraw/zinc/43/42/23/607434223.db2.gz AEMMYNCDAODHHB-GFCCVEGCSA-N 0 3 391.432 -0.369 20 0 GBADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1-c1nnn[n-]1 ZINC000820154856 607434221 /nfs/dbraw/zinc/43/42/21/607434221.db2.gz AEMMYNCDAODHHB-GFCCVEGCSA-N 0 3 391.432 -0.369 20 0 GBADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000820154857 607433703 /nfs/dbraw/zinc/43/37/03/607433703.db2.gz AEMMYNCDAODHHB-LBPRGKRZSA-N 0 3 391.432 -0.369 20 0 GBADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1-c1nnn[n-]1 ZINC000820154857 607433701 /nfs/dbraw/zinc/43/37/01/607433701.db2.gz AEMMYNCDAODHHB-LBPRGKRZSA-N 0 3 391.432 -0.369 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820242239 607027014 /nfs/dbraw/zinc/02/70/14/607027014.db2.gz LZNFFQIRKILVPS-NEPJUHHUSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820242239 607027012 /nfs/dbraw/zinc/02/70/12/607027012.db2.gz LZNFFQIRKILVPS-NEPJUHHUSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000820242241 607027047 /nfs/dbraw/zinc/02/70/47/607027047.db2.gz LZNFFQIRKILVPS-NWDGAFQWSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000820242241 607027046 /nfs/dbraw/zinc/02/70/46/607027046.db2.gz LZNFFQIRKILVPS-NWDGAFQWSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820242242 607027147 /nfs/dbraw/zinc/02/71/47/607027147.db2.gz LZNFFQIRKILVPS-RYUDHWBXSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820242242 607027145 /nfs/dbraw/zinc/02/71/45/607027145.db2.gz LZNFFQIRKILVPS-RYUDHWBXSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820242243 607027361 /nfs/dbraw/zinc/02/73/61/607027361.db2.gz LZNFFQIRKILVPS-VXGBXAGGSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820242243 607027359 /nfs/dbraw/zinc/02/73/59/607027359.db2.gz LZNFFQIRKILVPS-VXGBXAGGSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820242697 607027223 /nfs/dbraw/zinc/02/72/23/607027223.db2.gz PPDNZJUSFFFORN-NEPJUHHUSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820242697 607027221 /nfs/dbraw/zinc/02/72/21/607027221.db2.gz PPDNZJUSFFFORN-NEPJUHHUSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000820242698 607026898 /nfs/dbraw/zinc/02/68/98/607026898.db2.gz PPDNZJUSFFFORN-NWDGAFQWSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000820242698 607026897 /nfs/dbraw/zinc/02/68/97/607026897.db2.gz PPDNZJUSFFFORN-NWDGAFQWSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820242699 607027432 /nfs/dbraw/zinc/02/74/32/607027432.db2.gz PPDNZJUSFFFORN-RYUDHWBXSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820242699 607027430 /nfs/dbraw/zinc/02/74/30/607027430.db2.gz PPDNZJUSFFFORN-RYUDHWBXSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820242700 607027284 /nfs/dbraw/zinc/02/72/84/607027284.db2.gz PPDNZJUSFFFORN-VXGBXAGGSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820242700 607027283 /nfs/dbraw/zinc/02/72/83/607027283.db2.gz PPDNZJUSFFFORN-VXGBXAGGSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820437650 945449303 /nfs/dbraw/zinc/44/93/03/945449303.db2.gz AZDZJTYEOVRJPJ-AAEUAGOBSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820437650 945449296 /nfs/dbraw/zinc/44/92/96/945449296.db2.gz AZDZJTYEOVRJPJ-AAEUAGOBSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820437652 945449239 /nfs/dbraw/zinc/44/92/39/945449239.db2.gz AZDZJTYEOVRJPJ-DGCLKSJQSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820437652 945449233 /nfs/dbraw/zinc/44/92/33/945449233.db2.gz AZDZJTYEOVRJPJ-DGCLKSJQSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820437655 945449038 /nfs/dbraw/zinc/44/90/38/945449038.db2.gz AZDZJTYEOVRJPJ-WCQYABFASA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820437655 945449027 /nfs/dbraw/zinc/44/90/27/945449027.db2.gz AZDZJTYEOVRJPJ-WCQYABFASA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820437657 945449169 /nfs/dbraw/zinc/44/91/69/945449169.db2.gz AZDZJTYEOVRJPJ-YPMHNXCESA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820437657 945449162 /nfs/dbraw/zinc/44/91/62/945449162.db2.gz AZDZJTYEOVRJPJ-YPMHNXCESA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000820438128 606983274 /nfs/dbraw/zinc/98/32/74/606983274.db2.gz JAQSEUSIUVVBGD-LLVKDONJSA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000820438129 606983507 /nfs/dbraw/zinc/98/35/07/606983507.db2.gz JAQSEUSIUVVBGD-NSHDSACASA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C ZINC000820438168 606993321 /nfs/dbraw/zinc/99/33/21/606993321.db2.gz JQWLCDGNIZUFOF-GHMZBOCLSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[NH+](C)C ZINC000820438168 606993319 /nfs/dbraw/zinc/99/33/19/606993319.db2.gz JQWLCDGNIZUFOF-GHMZBOCLSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C ZINC000820438169 606993315 /nfs/dbraw/zinc/99/33/15/606993315.db2.gz JQWLCDGNIZUFOF-MNOVXSKESA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[NH+](C)C ZINC000820438169 606993313 /nfs/dbraw/zinc/99/33/13/606993313.db2.gz JQWLCDGNIZUFOF-MNOVXSKESA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C ZINC000820438170 606993249 /nfs/dbraw/zinc/99/32/49/606993249.db2.gz JQWLCDGNIZUFOF-QWRGUYRKSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[NH+](C)C ZINC000820438170 606993247 /nfs/dbraw/zinc/99/32/47/606993247.db2.gz JQWLCDGNIZUFOF-QWRGUYRKSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820438171 606993506 /nfs/dbraw/zinc/99/35/06/606993506.db2.gz JQWLCDGNIZUFOF-WDEREUQCSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820438171 606993505 /nfs/dbraw/zinc/99/35/05/606993505.db2.gz JQWLCDGNIZUFOF-WDEREUQCSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820438764 606981907 /nfs/dbraw/zinc/98/19/07/606981907.db2.gz WJJHELLVAKUAOL-LLVKDONJSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820438764 606981905 /nfs/dbraw/zinc/98/19/05/606981905.db2.gz WJJHELLVAKUAOL-LLVKDONJSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820438765 606981652 /nfs/dbraw/zinc/98/16/52/606981652.db2.gz WJJHELLVAKUAOL-NSHDSACASA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820438765 606981651 /nfs/dbraw/zinc/98/16/51/606981651.db2.gz WJJHELLVAKUAOL-NSHDSACASA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820444045 945451333 /nfs/dbraw/zinc/45/13/33/945451333.db2.gz DWOFGOPQCKSEDJ-AAEUAGOBSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820444045 945451329 /nfs/dbraw/zinc/45/13/29/945451329.db2.gz DWOFGOPQCKSEDJ-AAEUAGOBSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820444046 945451036 /nfs/dbraw/zinc/45/10/36/945451036.db2.gz DWOFGOPQCKSEDJ-DGCLKSJQSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820444046 945451033 /nfs/dbraw/zinc/45/10/33/945451033.db2.gz DWOFGOPQCKSEDJ-DGCLKSJQSA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820444047 945450791 /nfs/dbraw/zinc/45/07/91/945450791.db2.gz DWOFGOPQCKSEDJ-WCQYABFASA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820444047 945450789 /nfs/dbraw/zinc/45/07/89/945450789.db2.gz DWOFGOPQCKSEDJ-WCQYABFASA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820444048 945450714 /nfs/dbraw/zinc/45/07/14/945450714.db2.gz DWOFGOPQCKSEDJ-YPMHNXCESA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820444048 945450710 /nfs/dbraw/zinc/45/07/10/945450710.db2.gz DWOFGOPQCKSEDJ-YPMHNXCESA-N 0 3 393.473 -0.304 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820444518 607002122 /nfs/dbraw/zinc/00/21/22/607002122.db2.gz KAGJMBNSJFVYCH-LLVKDONJSA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820444518 607002120 /nfs/dbraw/zinc/00/21/20/607002120.db2.gz KAGJMBNSJFVYCH-LLVKDONJSA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820444520 607002148 /nfs/dbraw/zinc/00/21/48/607002148.db2.gz KAGJMBNSJFVYCH-NSHDSACASA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820444520 607002146 /nfs/dbraw/zinc/00/21/46/607002146.db2.gz KAGJMBNSJFVYCH-NSHDSACASA-N 0 3 393.473 -0.256 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444695 607027025 /nfs/dbraw/zinc/02/70/25/607027025.db2.gz LHBKVLRXOVKNGH-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444695 607027024 /nfs/dbraw/zinc/02/70/24/607027024.db2.gz LHBKVLRXOVKNGH-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444695 607027022 /nfs/dbraw/zinc/02/70/22/607027022.db2.gz LHBKVLRXOVKNGH-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444695 607027020 /nfs/dbraw/zinc/02/70/20/607027020.db2.gz LHBKVLRXOVKNGH-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444696 607027218 /nfs/dbraw/zinc/02/72/18/607027218.db2.gz LHBKVLRXOVKNGH-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444696 607027216 /nfs/dbraw/zinc/02/72/16/607027216.db2.gz LHBKVLRXOVKNGH-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444696 607027214 /nfs/dbraw/zinc/02/72/14/607027214.db2.gz LHBKVLRXOVKNGH-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444696 607027212 /nfs/dbraw/zinc/02/72/12/607027212.db2.gz LHBKVLRXOVKNGH-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820445895 945451395 /nfs/dbraw/zinc/45/13/95/945451395.db2.gz RLQJVDMMPNPGKF-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820445895 945451391 /nfs/dbraw/zinc/45/13/91/945451391.db2.gz RLQJVDMMPNPGKF-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820445895 945451387 /nfs/dbraw/zinc/45/13/87/945451387.db2.gz RLQJVDMMPNPGKF-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820445895 945451378 /nfs/dbraw/zinc/45/13/78/945451378.db2.gz RLQJVDMMPNPGKF-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820445905 945450697 /nfs/dbraw/zinc/45/06/97/945450697.db2.gz RLQJVDMMPNPGKF-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820445905 945450694 /nfs/dbraw/zinc/45/06/94/945450694.db2.gz RLQJVDMMPNPGKF-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820445905 945450689 /nfs/dbraw/zinc/45/06/89/945450689.db2.gz RLQJVDMMPNPGKF-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820445905 945450686 /nfs/dbraw/zinc/45/06/86/945450686.db2.gz RLQJVDMMPNPGKF-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820445908 945450864 /nfs/dbraw/zinc/45/08/64/945450864.db2.gz RLQJVDMMPNPGKF-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820445908 945450862 /nfs/dbraw/zinc/45/08/62/945450862.db2.gz RLQJVDMMPNPGKF-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820445908 945450860 /nfs/dbraw/zinc/45/08/60/945450860.db2.gz RLQJVDMMPNPGKF-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820445908 945450855 /nfs/dbraw/zinc/45/08/55/945450855.db2.gz RLQJVDMMPNPGKF-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820445910 945450464 /nfs/dbraw/zinc/45/04/64/945450464.db2.gz RLQJVDMMPNPGKF-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820445910 945450459 /nfs/dbraw/zinc/45/04/59/945450459.db2.gz RLQJVDMMPNPGKF-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820445910 945450451 /nfs/dbraw/zinc/45/04/51/945450451.db2.gz RLQJVDMMPNPGKF-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820445910 945450443 /nfs/dbraw/zinc/45/04/43/945450443.db2.gz RLQJVDMMPNPGKF-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC[NH+](C)C ZINC000820446020 606976399 /nfs/dbraw/zinc/97/63/99/606976399.db2.gz TTWVKNSFEVZXPV-LLVKDONJSA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC[NH+](C)C ZINC000820446020 606976398 /nfs/dbraw/zinc/97/63/98/606976398.db2.gz TTWVKNSFEVZXPV-LLVKDONJSA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC[NH+](C)C ZINC000820446022 606976429 /nfs/dbraw/zinc/97/64/29/606976429.db2.gz TTWVKNSFEVZXPV-NSHDSACASA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC[NH+](C)C ZINC000820446022 606976428 /nfs/dbraw/zinc/97/64/28/606976428.db2.gz TTWVKNSFEVZXPV-NSHDSACASA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[NH+](C)C ZINC000820447273 607027473 /nfs/dbraw/zinc/02/74/73/607027473.db2.gz YSXNIMUCKJWSIU-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC[NH+](C)C ZINC000820447273 607027472 /nfs/dbraw/zinc/02/74/72/607027472.db2.gz YSXNIMUCKJWSIU-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[NH+](C)C ZINC000820447373 607026892 /nfs/dbraw/zinc/02/68/92/607026892.db2.gz YSXNIMUCKJWSIU-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC[NH+](C)C ZINC000820447373 607026891 /nfs/dbraw/zinc/02/68/91/607026891.db2.gz YSXNIMUCKJWSIU-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820449910 606981667 /nfs/dbraw/zinc/98/16/67/606981667.db2.gz DOSQTOJOIZDIHK-LLVKDONJSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820449910 606981665 /nfs/dbraw/zinc/98/16/65/606981665.db2.gz DOSQTOJOIZDIHK-LLVKDONJSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820449913 606981770 /nfs/dbraw/zinc/98/17/70/606981770.db2.gz DOSQTOJOIZDIHK-NSHDSACASA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820449913 606981768 /nfs/dbraw/zinc/98/17/68/606981768.db2.gz DOSQTOJOIZDIHK-NSHDSACASA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC[NH+](C)C ZINC000820450615 607027395 /nfs/dbraw/zinc/02/73/95/607027395.db2.gz NRTWOOCQNNHUNO-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC[NH+](C)C ZINC000820450615 607027394 /nfs/dbraw/zinc/02/73/94/607027394.db2.gz NRTWOOCQNNHUNO-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC[NH+](C)C ZINC000820450617 607027341 /nfs/dbraw/zinc/02/73/41/607027341.db2.gz NRTWOOCQNNHUNO-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC[NH+](C)C ZINC000820450617 607027340 /nfs/dbraw/zinc/02/73/40/607027340.db2.gz NRTWOOCQNNHUNO-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820450623 607002040 /nfs/dbraw/zinc/00/20/40/607002040.db2.gz NSLKWOFDGKYRNT-LLVKDONJSA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820450623 607002039 /nfs/dbraw/zinc/00/20/39/607002039.db2.gz NSLKWOFDGKYRNT-LLVKDONJSA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820450625 607001973 /nfs/dbraw/zinc/00/19/73/607001973.db2.gz NSLKWOFDGKYRNT-NSHDSACASA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820450625 607001972 /nfs/dbraw/zinc/00/19/72/607001972.db2.gz NSLKWOFDGKYRNT-NSHDSACASA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[NH+](C)C ZINC000820451060 606993396 /nfs/dbraw/zinc/99/33/96/606993396.db2.gz SBAFFKDHKXZFPW-GHMZBOCLSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[NH+](C)C ZINC000820451060 606993395 /nfs/dbraw/zinc/99/33/95/606993395.db2.gz SBAFFKDHKXZFPW-GHMZBOCLSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[NH+](C)C ZINC000820451061 606993291 /nfs/dbraw/zinc/99/32/91/606993291.db2.gz SBAFFKDHKXZFPW-MNOVXSKESA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[NH+](C)C ZINC000820451061 606993290 /nfs/dbraw/zinc/99/32/90/606993290.db2.gz SBAFFKDHKXZFPW-MNOVXSKESA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[NH+](C)C ZINC000820451062 606993559 /nfs/dbraw/zinc/99/35/59/606993559.db2.gz SBAFFKDHKXZFPW-QWRGUYRKSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[NH+](C)C ZINC000820451062 606993558 /nfs/dbraw/zinc/99/35/58/606993558.db2.gz SBAFFKDHKXZFPW-QWRGUYRKSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820451063 606993528 /nfs/dbraw/zinc/99/35/28/606993528.db2.gz SBAFFKDHKXZFPW-WDEREUQCSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820451063 606993527 /nfs/dbraw/zinc/99/35/27/606993527.db2.gz SBAFFKDHKXZFPW-WDEREUQCSA-N 0 3 381.462 -0.400 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC[NH+](C)C ZINC000820451247 606976417 /nfs/dbraw/zinc/97/64/17/606976417.db2.gz TYCHPMAJDSHJLF-LLVKDONJSA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC[NH+](C)C ZINC000820451247 606976416 /nfs/dbraw/zinc/97/64/16/606976416.db2.gz TYCHPMAJDSHJLF-LLVKDONJSA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC[NH+](C)C ZINC000820451249 606976507 /nfs/dbraw/zinc/97/65/07/606976507.db2.gz TYCHPMAJDSHJLF-NSHDSACASA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC[NH+](C)C ZINC000820451249 606976505 /nfs/dbraw/zinc/97/65/05/606976505.db2.gz TYCHPMAJDSHJLF-NSHDSACASA-N 0 3 381.462 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820451408 945453374 /nfs/dbraw/zinc/45/33/74/945453374.db2.gz VJWVRKVEJDWTMD-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820451408 945453371 /nfs/dbraw/zinc/45/33/71/945453371.db2.gz VJWVRKVEJDWTMD-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820451408 945453366 /nfs/dbraw/zinc/45/33/66/945453366.db2.gz VJWVRKVEJDWTMD-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820451408 945453359 /nfs/dbraw/zinc/45/33/59/945453359.db2.gz VJWVRKVEJDWTMD-NEPJUHHUSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820451410 945453081 /nfs/dbraw/zinc/45/30/81/945453081.db2.gz VJWVRKVEJDWTMD-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820451410 945453078 /nfs/dbraw/zinc/45/30/78/945453078.db2.gz VJWVRKVEJDWTMD-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820451410 945453077 /nfs/dbraw/zinc/45/30/77/945453077.db2.gz VJWVRKVEJDWTMD-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820451410 945453072 /nfs/dbraw/zinc/45/30/72/945453072.db2.gz VJWVRKVEJDWTMD-NWDGAFQWSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820451412 945453347 /nfs/dbraw/zinc/45/33/47/945453347.db2.gz VJWVRKVEJDWTMD-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820451412 945453343 /nfs/dbraw/zinc/45/33/43/945453343.db2.gz VJWVRKVEJDWTMD-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820451412 945453341 /nfs/dbraw/zinc/45/33/41/945453341.db2.gz VJWVRKVEJDWTMD-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820451412 945453337 /nfs/dbraw/zinc/45/33/37/945453337.db2.gz VJWVRKVEJDWTMD-RYUDHWBXSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820451413 945455887 /nfs/dbraw/zinc/45/58/87/945455887.db2.gz VJWVRKVEJDWTMD-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820451413 945455884 /nfs/dbraw/zinc/45/58/84/945455884.db2.gz VJWVRKVEJDWTMD-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820451413 945455880 /nfs/dbraw/zinc/45/58/80/945455880.db2.gz VJWVRKVEJDWTMD-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820451413 945455877 /nfs/dbraw/zinc/45/58/77/945455877.db2.gz VJWVRKVEJDWTMD-VXGBXAGGSA-N 0 3 393.473 -0.399 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000820452076 606984015 /nfs/dbraw/zinc/98/40/15/606984015.db2.gz YXZOLBJIJSRKGH-LLVKDONJSA-N 0 3 393.473 -0.256 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000820452077 606984151 /nfs/dbraw/zinc/98/41/51/606984151.db2.gz YXZOLBJIJSRKGH-NSHDSACASA-N 0 3 393.473 -0.256 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820452112 607027494 /nfs/dbraw/zinc/02/74/94/607027494.db2.gz ZVHOAEIEQSWCCD-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820452112 607027493 /nfs/dbraw/zinc/02/74/93/607027493.db2.gz ZVHOAEIEQSWCCD-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820452112 607027491 /nfs/dbraw/zinc/02/74/91/607027491.db2.gz ZVHOAEIEQSWCCD-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820452112 607027490 /nfs/dbraw/zinc/02/74/90/607027490.db2.gz ZVHOAEIEQSWCCD-GFCCVEGCSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820452114 607026959 /nfs/dbraw/zinc/02/69/59/607026959.db2.gz ZVHOAEIEQSWCCD-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820452114 607026957 /nfs/dbraw/zinc/02/69/57/607026957.db2.gz ZVHOAEIEQSWCCD-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820452114 607026954 /nfs/dbraw/zinc/02/69/54/607026954.db2.gz ZVHOAEIEQSWCCD-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN CC(C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820452114 607026952 /nfs/dbraw/zinc/02/69/52/607026952.db2.gz ZVHOAEIEQSWCCD-LBPRGKRZSA-N 0 3 395.489 -0.010 20 0 GBADHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659486 599462972 /nfs/dbraw/zinc/46/29/72/599462972.db2.gz YDFCWOUNUFTCOR-GYSYKLTISA-N 0 3 397.447 -0.378 20 0 GBADHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659487 599463008 /nfs/dbraw/zinc/46/30/08/599463008.db2.gz YDFCWOUNUFTCOR-JTNHKYCSSA-N 0 3 397.447 -0.378 20 0 GBADHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659488 599463101 /nfs/dbraw/zinc/46/31/01/599463101.db2.gz YDFCWOUNUFTCOR-SUNKGSAMSA-N 0 3 397.447 -0.378 20 0 GBADHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659489 599463125 /nfs/dbraw/zinc/46/31/25/599463125.db2.gz YDFCWOUNUFTCOR-UHIISALHSA-N 0 3 397.447 -0.378 20 0 GBADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790347 637996848 /nfs/dbraw/zinc/99/68/48/637996848.db2.gz GRINVNVFAVJFJD-HNNXBMFYSA-N 0 3 398.595 -0.445 20 0 GBADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790348 637996970 /nfs/dbraw/zinc/99/69/70/637996970.db2.gz GRINVNVFAVJFJD-OAHLLOKOSA-N 0 3 398.595 -0.445 20 0 GBADHN CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925546 606473665 /nfs/dbraw/zinc/47/36/65/606473665.db2.gz JRUWSGIIHFDVJV-AAEUAGOBSA-N 0 3 375.437 -0.668 20 0 GBADHN CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925549 606474043 /nfs/dbraw/zinc/47/40/43/606474043.db2.gz JRUWSGIIHFDVJV-DGCLKSJQSA-N 0 3 375.437 -0.668 20 0 GBADHN CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925550 606474006 /nfs/dbraw/zinc/47/40/06/606474006.db2.gz JRUWSGIIHFDVJV-WCQYABFASA-N 0 3 375.437 -0.668 20 0 GBADHN CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925551 606474071 /nfs/dbraw/zinc/47/40/71/606474071.db2.gz JRUWSGIIHFDVJV-YPMHNXCESA-N 0 3 375.437 -0.668 20 0 GBADHN CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@H+]1C[C@@H](C)O ZINC000820995493 599531673 /nfs/dbraw/zinc/53/16/73/599531673.db2.gz SJHROSCJTISMMH-NEPJUHHUSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@@H+]1C[C@@H](C)O ZINC000820995493 599531671 /nfs/dbraw/zinc/53/16/71/599531671.db2.gz SJHROSCJTISMMH-NEPJUHHUSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@H+]1C[C@H](C)O ZINC000820995494 599531843 /nfs/dbraw/zinc/53/18/43/599531843.db2.gz SJHROSCJTISMMH-NWDGAFQWSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@@H+]1C[C@H](C)O ZINC000820995494 599531842 /nfs/dbraw/zinc/53/18/42/599531842.db2.gz SJHROSCJTISMMH-NWDGAFQWSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@H+]1C[C@H](C)O ZINC000820995495 599531824 /nfs/dbraw/zinc/53/18/24/599531824.db2.gz SJHROSCJTISMMH-RYUDHWBXSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@@H+]1C[C@H](C)O ZINC000820995495 599531823 /nfs/dbraw/zinc/53/18/23/599531823.db2.gz SJHROSCJTISMMH-RYUDHWBXSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@H+]1C[C@@H](C)O ZINC000820995496 599531613 /nfs/dbraw/zinc/53/16/13/599531613.db2.gz SJHROSCJTISMMH-VXGBXAGGSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC[N@@H+]1C[C@@H](C)O ZINC000820995496 599531611 /nfs/dbraw/zinc/53/16/11/599531611.db2.gz SJHROSCJTISMMH-VXGBXAGGSA-N 0 3 395.489 -0.205 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821188584 606977019 /nfs/dbraw/zinc/97/70/19/606977019.db2.gz AOGVWXOZHWHLAV-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821188584 606977018 /nfs/dbraw/zinc/97/70/18/606977018.db2.gz AOGVWXOZHWHLAV-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821188587 606977308 /nfs/dbraw/zinc/97/73/08/606977308.db2.gz AOGVWXOZHWHLAV-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821188587 606977305 /nfs/dbraw/zinc/97/73/05/606977305.db2.gz AOGVWXOZHWHLAV-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821189442 606975249 /nfs/dbraw/zinc/97/52/49/606975249.db2.gz MKTAQWXTQOJOPV-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821189442 606975247 /nfs/dbraw/zinc/97/52/47/606975247.db2.gz MKTAQWXTQOJOPV-GFCCVEGCSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821189443 606977203 /nfs/dbraw/zinc/97/72/03/606977203.db2.gz MKTAQWXTQOJOPV-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821189443 606977201 /nfs/dbraw/zinc/97/72/01/606977201.db2.gz MKTAQWXTQOJOPV-LBPRGKRZSA-N 0 3 395.489 -0.009 20 0 GBADHN CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000821266435 606700350 /nfs/dbraw/zinc/70/03/50/606700350.db2.gz CVRGLEWWPLLFQC-GFCCVEGCSA-N 0 3 390.496 -0.411 20 0 GBADHN CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000821266435 606700349 /nfs/dbraw/zinc/70/03/49/606700349.db2.gz CVRGLEWWPLLFQC-GFCCVEGCSA-N 0 3 390.496 -0.411 20 0 GBADHN CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000821266436 606700150 /nfs/dbraw/zinc/70/01/50/606700150.db2.gz CVRGLEWWPLLFQC-LBPRGKRZSA-N 0 3 390.496 -0.411 20 0 GBADHN CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000821266436 606700149 /nfs/dbraw/zinc/70/01/49/606700149.db2.gz CVRGLEWWPLLFQC-LBPRGKRZSA-N 0 3 390.496 -0.411 20 0 GBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821276416 607271982 /nfs/dbraw/zinc/27/19/82/607271982.db2.gz LFYOIDBZAJLJAL-UHFFFAOYSA-N 0 3 386.460 -0.133 20 0 GBADHN CN(C)CCN1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1=O ZINC000821382273 638000991 /nfs/dbraw/zinc/00/09/91/638000991.db2.gz DSXFFDVWTJREMO-UHFFFAOYSA-N 0 3 388.412 -0.621 20 0 GBADHN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821575565 945720429 /nfs/dbraw/zinc/72/04/29/945720429.db2.gz GZGQKDDHRCISBV-GFCCVEGCSA-N 0 3 390.452 -0.336 20 0 GBADHN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821575565 945720424 /nfs/dbraw/zinc/72/04/24/945720424.db2.gz GZGQKDDHRCISBV-GFCCVEGCSA-N 0 3 390.452 -0.336 20 0 GBADHN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821575566 945720368 /nfs/dbraw/zinc/72/03/68/945720368.db2.gz GZGQKDDHRCISBV-LBPRGKRZSA-N 0 3 390.452 -0.336 20 0 GBADHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821575566 945720361 /nfs/dbraw/zinc/72/03/61/945720361.db2.gz GZGQKDDHRCISBV-LBPRGKRZSA-N 0 3 390.452 -0.336 20 0 GBADHN C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821582874 606385771 /nfs/dbraw/zinc/38/57/71/606385771.db2.gz AQTCSNOWPFTNNF-UHFFFAOYSA-N 0 3 386.460 -0.053 20 0 GBADHN C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821582874 606385769 /nfs/dbraw/zinc/38/57/69/606385769.db2.gz AQTCSNOWPFTNNF-UHFFFAOYSA-N 0 3 386.460 -0.053 20 0 GBADHN C[NH+](C)C1CCN(CCNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821583333 606402690 /nfs/dbraw/zinc/40/26/90/606402690.db2.gz RIGYSZGEUGUNFF-UHFFFAOYSA-N 0 3 394.505 -0.048 20 0 GBADHN C[NH+](C)C1CCN(CCNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821583333 606402688 /nfs/dbraw/zinc/40/26/88/606402688.db2.gz RIGYSZGEUGUNFF-UHFFFAOYSA-N 0 3 394.505 -0.048 20 0 GBADHN CN(C)CC(=O)N1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583377 607362351 /nfs/dbraw/zinc/36/23/51/607362351.db2.gz SWVAMNBACRQKBW-UHFFFAOYSA-N 0 3 386.460 -0.099 20 0 GBADHN CN(C)CC(=O)N1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583429 607362475 /nfs/dbraw/zinc/36/24/75/607362475.db2.gz VBAWOVKYLPIPQW-UHFFFAOYSA-N 0 3 386.460 -0.099 20 0 GBADHN C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821583466 606385867 /nfs/dbraw/zinc/38/58/67/606385867.db2.gz WMVCTLILCGQWFJ-UHFFFAOYSA-N 0 3 386.460 -0.053 20 0 GBADHN C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821583466 606385864 /nfs/dbraw/zinc/38/58/64/606385864.db2.gz WMVCTLILCGQWFJ-UHFFFAOYSA-N 0 3 386.460 -0.053 20 0 GBADHN C[NH+](C)CCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821584406 606603940 /nfs/dbraw/zinc/60/39/40/606603940.db2.gz BZSRHTULPZIUPP-UHFFFAOYSA-N 0 3 398.431 -0.487 20 0 GBADHN C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000821584795 606609574 /nfs/dbraw/zinc/60/95/74/606609574.db2.gz SJYZASJIYUPERB-LLVKDONJSA-N 0 3 377.380 -0.267 20 0 GBADHN C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000821584796 606609991 /nfs/dbraw/zinc/60/99/91/606609991.db2.gz SJYZASJIYUPERB-NSHDSACASA-N 0 3 377.380 -0.267 20 0 GBADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000821587157 606256177 /nfs/dbraw/zinc/25/61/77/606256177.db2.gz JMIYEWKCNVWOHC-UHFFFAOYSA-N 0 3 386.420 -0.668 20 0 GBADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000821587157 606256176 /nfs/dbraw/zinc/25/61/76/606256176.db2.gz JMIYEWKCNVWOHC-UHFFFAOYSA-N 0 3 386.420 -0.668 20 0 GBADHN C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821587183 607180031 /nfs/dbraw/zinc/18/00/31/607180031.db2.gz KQWANYWFFVRSRN-UHFFFAOYSA-N 0 3 383.416 -0.120 20 0 GBADHN C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821587344 607180043 /nfs/dbraw/zinc/18/00/43/607180043.db2.gz SKDVANLTAAQGLG-UHFFFAOYSA-N 0 3 383.416 -0.120 20 0 GBADHN C[N@@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595194 606336617 /nfs/dbraw/zinc/33/66/17/606336617.db2.gz OZRBVXAYRQTHFG-CVEARBPZSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595194 606336616 /nfs/dbraw/zinc/33/66/16/606336616.db2.gz OZRBVXAYRQTHFG-CVEARBPZSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821595195 606336379 /nfs/dbraw/zinc/33/63/79/606336379.db2.gz OZRBVXAYRQTHFG-HOTGVXAUSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821595195 606336377 /nfs/dbraw/zinc/33/63/77/606336377.db2.gz OZRBVXAYRQTHFG-HOTGVXAUSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595196 606336142 /nfs/dbraw/zinc/33/61/42/606336142.db2.gz OZRBVXAYRQTHFG-HZPDHXFCSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595196 606336140 /nfs/dbraw/zinc/33/61/40/606336140.db2.gz OZRBVXAYRQTHFG-HZPDHXFCSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821595197 606336546 /nfs/dbraw/zinc/33/65/46/606336546.db2.gz OZRBVXAYRQTHFG-JKSUJKDBSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821595197 606336545 /nfs/dbraw/zinc/33/65/45/606336545.db2.gz OZRBVXAYRQTHFG-JKSUJKDBSA-N 0 3 392.460 -0.769 20 0 GBADHN C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C[C@H](O)CN1CCOCC1 ZINC000821597668 606336464 /nfs/dbraw/zinc/33/64/64/606336464.db2.gz CBYJJDPIZRUPQE-AWEZNQCLSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C[C@H](O)CN1CCOCC1 ZINC000821597668 606336461 /nfs/dbraw/zinc/33/64/61/606336461.db2.gz CBYJJDPIZRUPQE-AWEZNQCLSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C[C@H](O)CN1CCOCC1 ZINC000821597668 606336459 /nfs/dbraw/zinc/33/64/59/606336459.db2.gz CBYJJDPIZRUPQE-AWEZNQCLSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C[C@H](O)CN1CCOCC1 ZINC000821597668 606336458 /nfs/dbraw/zinc/33/64/58/606336458.db2.gz CBYJJDPIZRUPQE-AWEZNQCLSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597669 606336570 /nfs/dbraw/zinc/33/65/70/606336570.db2.gz CBYJJDPIZRUPQE-CQSZACIVSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597669 606336568 /nfs/dbraw/zinc/33/65/68/606336568.db2.gz CBYJJDPIZRUPQE-CQSZACIVSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C[C@@H](O)CN1CCOCC1 ZINC000821597669 606336566 /nfs/dbraw/zinc/33/65/66/606336566.db2.gz CBYJJDPIZRUPQE-CQSZACIVSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C[C@@H](O)CN1CCOCC1 ZINC000821597669 606336564 /nfs/dbraw/zinc/33/65/64/606336564.db2.gz CBYJJDPIZRUPQE-CQSZACIVSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821597672 606336641 /nfs/dbraw/zinc/33/66/41/606336641.db2.gz CDIYGYMCXAQWAL-INIZCTEOSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821597672 606336640 /nfs/dbraw/zinc/33/66/40/606336640.db2.gz CDIYGYMCXAQWAL-INIZCTEOSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821597673 606336584 /nfs/dbraw/zinc/33/65/84/606336584.db2.gz CDIYGYMCXAQWAL-MRXNPFEDSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821597673 606336582 /nfs/dbraw/zinc/33/65/82/606336582.db2.gz CDIYGYMCXAQWAL-MRXNPFEDSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821597714 606336193 /nfs/dbraw/zinc/33/61/93/606336193.db2.gz DZAGTOBOUQCTPB-INIZCTEOSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821597714 606336190 /nfs/dbraw/zinc/33/61/90/606336190.db2.gz DZAGTOBOUQCTPB-INIZCTEOSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821597715 606336433 /nfs/dbraw/zinc/33/64/33/606336433.db2.gz DZAGTOBOUQCTPB-MRXNPFEDSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821597715 606336430 /nfs/dbraw/zinc/33/64/30/606336430.db2.gz DZAGTOBOUQCTPB-MRXNPFEDSA-N 0 3 389.460 -0.180 20 0 GBADHN C[N@@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597779 606336185 /nfs/dbraw/zinc/33/61/85/606336185.db2.gz GYABYMOZESXRSN-GFCCVEGCSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597779 606336183 /nfs/dbraw/zinc/33/61/83/606336183.db2.gz GYABYMOZESXRSN-GFCCVEGCSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)C[C@@H](O)CN1CCOCC1 ZINC000821597779 606336181 /nfs/dbraw/zinc/33/61/81/606336181.db2.gz GYABYMOZESXRSN-GFCCVEGCSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)C[C@@H](O)CN1CCOCC1 ZINC000821597779 606336179 /nfs/dbraw/zinc/33/61/79/606336179.db2.gz GYABYMOZESXRSN-GFCCVEGCSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)C[C@H](O)CN1CCOCC1 ZINC000821597780 606336687 /nfs/dbraw/zinc/33/66/87/606336687.db2.gz GYABYMOZESXRSN-LBPRGKRZSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)C[C@H](O)CN1CCOCC1 ZINC000821597780 606336686 /nfs/dbraw/zinc/33/66/86/606336686.db2.gz GYABYMOZESXRSN-LBPRGKRZSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)C[C@H](O)CN1CCOCC1 ZINC000821597780 606336685 /nfs/dbraw/zinc/33/66/85/606336685.db2.gz GYABYMOZESXRSN-LBPRGKRZSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)C[C@H](O)CN1CCOCC1 ZINC000821597780 606336684 /nfs/dbraw/zinc/33/66/84/606336684.db2.gz GYABYMOZESXRSN-LBPRGKRZSA-N 0 3 395.489 -0.118 20 0 GBADHN C[N@@H+](CCCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821600199 599559350 /nfs/dbraw/zinc/55/93/50/599559350.db2.gz BSGSOBVYKMBNEH-UHFFFAOYSA-N 0 3 395.489 -0.203 20 0 GBADHN C[N@H+](CCCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821600199 599559347 /nfs/dbraw/zinc/55/93/47/599559347.db2.gz BSGSOBVYKMBNEH-UHFFFAOYSA-N 0 3 395.489 -0.203 20 0 GBADHN C[N@@H+](CCCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821600199 599559344 /nfs/dbraw/zinc/55/93/44/599559344.db2.gz BSGSOBVYKMBNEH-UHFFFAOYSA-N 0 3 395.489 -0.203 20 0 GBADHN C[N@H+](CCCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821600199 599559343 /nfs/dbraw/zinc/55/93/43/599559343.db2.gz BSGSOBVYKMBNEH-UHFFFAOYSA-N 0 3 395.489 -0.203 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821623087 606403412 /nfs/dbraw/zinc/40/34/12/606403412.db2.gz CBURBQOZJRCASJ-UHFFFAOYSA-N 0 3 377.380 -0.483 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821623087 606403410 /nfs/dbraw/zinc/40/34/10/606403410.db2.gz CBURBQOZJRCASJ-UHFFFAOYSA-N 0 3 377.380 -0.483 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000821623399 945753084 /nfs/dbraw/zinc/75/30/84/945753084.db2.gz KPDPDBNOAYRWIP-UHFFFAOYSA-N 0 3 397.443 -0.179 20 0 GBADHN C[NH+]1CCC(O)(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000821623399 945753076 /nfs/dbraw/zinc/75/30/76/945753076.db2.gz KPDPDBNOAYRWIP-UHFFFAOYSA-N 0 3 397.443 -0.179 20 0 GBADHN CN1CCN(C[C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626831 945756653 /nfs/dbraw/zinc/75/66/53/945756653.db2.gz ARQYTPYBMXTKNY-MSOLQXFVSA-N 0 3 387.488 -0.152 20 0 GBADHN CN1CCN(C[C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626832 945755719 /nfs/dbraw/zinc/75/57/19/945755719.db2.gz ARQYTPYBMXTKNY-QZTJIDSGSA-N 0 3 387.488 -0.152 20 0 GBADHN CN1CCN(C[C@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626833 945755877 /nfs/dbraw/zinc/75/58/77/945755877.db2.gz ARQYTPYBMXTKNY-ROUUACIJSA-N 0 3 387.488 -0.152 20 0 GBADHN CN1CCN(C[C@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626834 945755420 /nfs/dbraw/zinc/75/54/20/945755420.db2.gz ARQYTPYBMXTKNY-ZWKOTPCHSA-N 0 3 387.488 -0.152 20 0 GBADHN COCCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686964 599447744 /nfs/dbraw/zinc/44/77/44/599447744.db2.gz HKPRURGSIBZUPU-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686964 599447742 /nfs/dbraw/zinc/44/77/42/599447742.db2.gz HKPRURGSIBZUPU-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686964 599447740 /nfs/dbraw/zinc/44/77/40/599447740.db2.gz HKPRURGSIBZUPU-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN COCCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686964 599447738 /nfs/dbraw/zinc/44/77/38/599447738.db2.gz HKPRURGSIBZUPU-UHFFFAOYSA-N 0 3 375.433 -0.319 20 0 GBADHN CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821696433 607008037 /nfs/dbraw/zinc/00/80/37/607008037.db2.gz CVGVLISVEMNRCS-JQWIXIFHSA-N 0 3 395.493 -0.164 20 0 GBADHN CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821696434 607008108 /nfs/dbraw/zinc/00/81/08/607008108.db2.gz CVGVLISVEMNRCS-PWSUYJOCSA-N 0 3 395.493 -0.164 20 0 GBADHN COc1ccc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000821813257 599428661 /nfs/dbraw/zinc/42/86/61/599428661.db2.gz BZBHEZVOEIXQOI-UHFFFAOYSA-N 0 3 395.489 -0.458 20 0 GBADHN COc1ccc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000821813257 599428659 /nfs/dbraw/zinc/42/86/59/599428659.db2.gz BZBHEZVOEIXQOI-UHFFFAOYSA-N 0 3 395.489 -0.458 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821931182 606774070 /nfs/dbraw/zinc/77/40/70/606774070.db2.gz AMNQEZOQZNIWLN-DMDPSCGWSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821931182 606774069 /nfs/dbraw/zinc/77/40/69/606774069.db2.gz AMNQEZOQZNIWLN-DMDPSCGWSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821931183 606774203 /nfs/dbraw/zinc/77/42/03/606774203.db2.gz AMNQEZOQZNIWLN-GMXVVIOVSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821931183 606774201 /nfs/dbraw/zinc/77/42/01/606774201.db2.gz AMNQEZOQZNIWLN-GMXVVIOVSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821931184 606773733 /nfs/dbraw/zinc/77/37/33/606773733.db2.gz AMNQEZOQZNIWLN-NQBHXWOUSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821931184 606773732 /nfs/dbraw/zinc/77/37/32/606773732.db2.gz AMNQEZOQZNIWLN-NQBHXWOUSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821931186 606774170 /nfs/dbraw/zinc/77/41/70/606774170.db2.gz AMNQEZOQZNIWLN-NTZNESFSSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821931186 606774167 /nfs/dbraw/zinc/77/41/67/606774167.db2.gz AMNQEZOQZNIWLN-NTZNESFSSA-N 0 3 395.493 -0.588 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937801 607442913 /nfs/dbraw/zinc/44/29/13/607442913.db2.gz RDJYIUPTUZNXOE-NEPJUHHUSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937801 607442911 /nfs/dbraw/zinc/44/29/11/607442911.db2.gz RDJYIUPTUZNXOE-NEPJUHHUSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937801 607442909 /nfs/dbraw/zinc/44/29/09/607442909.db2.gz RDJYIUPTUZNXOE-NEPJUHHUSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937801 607442906 /nfs/dbraw/zinc/44/29/06/607442906.db2.gz RDJYIUPTUZNXOE-NEPJUHHUSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937803 607443297 /nfs/dbraw/zinc/44/32/97/607443297.db2.gz RDJYIUPTUZNXOE-NWDGAFQWSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937803 607443295 /nfs/dbraw/zinc/44/32/95/607443295.db2.gz RDJYIUPTUZNXOE-NWDGAFQWSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937803 607443293 /nfs/dbraw/zinc/44/32/93/607443293.db2.gz RDJYIUPTUZNXOE-NWDGAFQWSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937803 607443291 /nfs/dbraw/zinc/44/32/91/607443291.db2.gz RDJYIUPTUZNXOE-NWDGAFQWSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937805 607443045 /nfs/dbraw/zinc/44/30/45/607443045.db2.gz RDJYIUPTUZNXOE-RYUDHWBXSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937805 607443044 /nfs/dbraw/zinc/44/30/44/607443044.db2.gz RDJYIUPTUZNXOE-RYUDHWBXSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937805 607443043 /nfs/dbraw/zinc/44/30/43/607443043.db2.gz RDJYIUPTUZNXOE-RYUDHWBXSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937805 607443042 /nfs/dbraw/zinc/44/30/42/607443042.db2.gz RDJYIUPTUZNXOE-RYUDHWBXSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937806 607442775 /nfs/dbraw/zinc/44/27/75/607442775.db2.gz RDJYIUPTUZNXOE-VXGBXAGGSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821937806 607442773 /nfs/dbraw/zinc/44/27/73/607442773.db2.gz RDJYIUPTUZNXOE-VXGBXAGGSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937806 607442771 /nfs/dbraw/zinc/44/27/71/607442771.db2.gz RDJYIUPTUZNXOE-VXGBXAGGSA-N 0 3 395.493 -0.634 20 0 GBADHN CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821937806 607442769 /nfs/dbraw/zinc/44/27/69/607442769.db2.gz RDJYIUPTUZNXOE-VXGBXAGGSA-N 0 3 395.493 -0.634 20 0 GBADHN Cc1cc(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n(C)n1 ZINC000822206897 599460055 /nfs/dbraw/zinc/46/00/55/599460055.db2.gz CILDSADFXXORFV-AAEUAGOBSA-N 0 3 397.447 -0.458 20 0 GBADHN Cc1cc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n(C)n1 ZINC000822206898 599460493 /nfs/dbraw/zinc/46/04/93/599460493.db2.gz CILDSADFXXORFV-DGCLKSJQSA-N 0 3 397.447 -0.458 20 0 GBADHN Cc1cc(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n(C)n1 ZINC000822206899 599460079 /nfs/dbraw/zinc/46/00/79/599460079.db2.gz CILDSADFXXORFV-WCQYABFASA-N 0 3 397.447 -0.458 20 0 GBADHN Cc1cc(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n(C)n1 ZINC000822206900 599460526 /nfs/dbraw/zinc/46/05/26/599460526.db2.gz CILDSADFXXORFV-YPMHNXCESA-N 0 3 397.447 -0.458 20 0 GBADHN Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cn1 ZINC000822680811 946156089 /nfs/dbraw/zinc/15/60/89/946156089.db2.gz PNWOJNHYUAYNIN-BXUZGUMPSA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1cc(N2CCC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cn1 ZINC000822680812 946155732 /nfs/dbraw/zinc/15/57/32/946155732.db2.gz PNWOJNHYUAYNIN-FZMZJTMJSA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1cc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cn1 ZINC000822680814 946155255 /nfs/dbraw/zinc/15/52/55/946155255.db2.gz PNWOJNHYUAYNIN-RISCZKNCSA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1cc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cn1 ZINC000822680817 946156057 /nfs/dbraw/zinc/15/60/57/946156057.db2.gz PNWOJNHYUAYNIN-SMDDNHRTSA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1ccc(N2CCC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n1 ZINC000822689597 599455205 /nfs/dbraw/zinc/45/52/05/599455205.db2.gz NYJYESDCXJHJKO-AAEUAGOBSA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n1 ZINC000822689598 599455358 /nfs/dbraw/zinc/45/53/58/599455358.db2.gz NYJYESDCXJHJKO-DGCLKSJQSA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n1 ZINC000822689599 599455341 /nfs/dbraw/zinc/45/53/41/599455341.db2.gz NYJYESDCXJHJKO-WCQYABFASA-N 0 3 397.447 -0.376 20 0 GBADHN Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)n1 ZINC000822689600 599455283 /nfs/dbraw/zinc/45/52/83/599455283.db2.gz NYJYESDCXJHJKO-YPMHNXCESA-N 0 3 397.447 -0.376 20 0 GBADHN NC(=O)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822869016 599459235 /nfs/dbraw/zinc/45/92/35/599459235.db2.gz LKPULRMFIZOIJV-GFCCVEGCSA-N 0 3 383.416 -0.241 20 0 GBADHN NC(=O)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822869016 599459232 /nfs/dbraw/zinc/45/92/32/599459232.db2.gz LKPULRMFIZOIJV-GFCCVEGCSA-N 0 3 383.416 -0.241 20 0 GBADHN NC(=O)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822869018 599459048 /nfs/dbraw/zinc/45/90/48/599459048.db2.gz LKPULRMFIZOIJV-LBPRGKRZSA-N 0 3 383.416 -0.241 20 0 GBADHN NC(=O)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822869018 599459045 /nfs/dbraw/zinc/45/90/45/599459045.db2.gz LKPULRMFIZOIJV-LBPRGKRZSA-N 0 3 383.416 -0.241 20 0 GBADHN NS(=O)(=O)c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822894553 606164851 /nfs/dbraw/zinc/16/48/51/606164851.db2.gz AUAPOVXOMRJYOZ-UHFFFAOYSA-N 0 3 393.473 -0.185 20 0 GBADHN NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895138 606102460 /nfs/dbraw/zinc/10/24/60/606102460.db2.gz LGSXKTDWUBJAAT-GFCCVEGCSA-N 0 3 393.473 -0.327 20 0 GBADHN NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895138 606102458 /nfs/dbraw/zinc/10/24/58/606102458.db2.gz LGSXKTDWUBJAAT-GFCCVEGCSA-N 0 3 393.473 -0.327 20 0 GBADHN NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895139 606102479 /nfs/dbraw/zinc/10/24/79/606102479.db2.gz LGSXKTDWUBJAAT-LBPRGKRZSA-N 0 3 393.473 -0.327 20 0 GBADHN NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895139 606102478 /nfs/dbraw/zinc/10/24/78/606102478.db2.gz LGSXKTDWUBJAAT-LBPRGKRZSA-N 0 3 393.473 -0.327 20 0 GBADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895147 606897947 /nfs/dbraw/zinc/89/79/47/606897947.db2.gz LOTLCFNPQLOJCW-BXUZGUMPSA-N 0 3 381.462 -0.595 20 0 GBADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895148 606897825 /nfs/dbraw/zinc/89/78/25/606897825.db2.gz LOTLCFNPQLOJCW-FZMZJTMJSA-N 0 3 381.462 -0.595 20 0 GBADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895149 606897898 /nfs/dbraw/zinc/89/78/98/606897898.db2.gz LOTLCFNPQLOJCW-RISCZKNCSA-N 0 3 381.462 -0.595 20 0 GBADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895150 606898275 /nfs/dbraw/zinc/89/82/75/606898275.db2.gz LOTLCFNPQLOJCW-SMDDNHRTSA-N 0 3 381.462 -0.595 20 0 GBADHN NS(=O)(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000822899654 599475246 /nfs/dbraw/zinc/47/52/46/599475246.db2.gz NQQXZPUCSVTXQO-LLVKDONJSA-N 0 3 381.462 -0.227 20 0 GBADHN NS(=O)(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000822899654 599475242 /nfs/dbraw/zinc/47/52/42/599475242.db2.gz NQQXZPUCSVTXQO-LLVKDONJSA-N 0 3 381.462 -0.227 20 0 GBADHN NS(=O)(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000822899655 599475460 /nfs/dbraw/zinc/47/54/60/599475460.db2.gz NQQXZPUCSVTXQO-NSHDSACASA-N 0 3 381.462 -0.227 20 0 GBADHN NS(=O)(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000822899655 599475458 /nfs/dbraw/zinc/47/54/58/599475458.db2.gz NQQXZPUCSVTXQO-NSHDSACASA-N 0 3 381.462 -0.227 20 0 GBADHN O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1sccc1-c1nn[n-]n1 ZINC000822964596 606656136 /nfs/dbraw/zinc/65/61/36/606656136.db2.gz LEKYOGQGXJUGNF-UHFFFAOYSA-N 0 3 395.489 -0.117 20 0 GBADHN O=C(CC[N@H+](CCO)CCN1CCOCC1)Nc1sccc1-c1nn[n-]n1 ZINC000822964596 606656135 /nfs/dbraw/zinc/65/61/35/606656135.db2.gz LEKYOGQGXJUGNF-UHFFFAOYSA-N 0 3 395.489 -0.117 20 0 GBADHN O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1sccc1-c1nnn[n-]1 ZINC000822964596 606656134 /nfs/dbraw/zinc/65/61/34/606656134.db2.gz LEKYOGQGXJUGNF-UHFFFAOYSA-N 0 3 395.489 -0.117 20 0 GBADHN O=C(CC[N@H+](CCO)CCN1CCOCC1)Nc1sccc1-c1nnn[n-]1 ZINC000822964596 606656133 /nfs/dbraw/zinc/65/61/33/606656133.db2.gz LEKYOGQGXJUGNF-UHFFFAOYSA-N 0 3 395.489 -0.117 20 0 GBADHN O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822965015 606395966 /nfs/dbraw/zinc/39/59/66/606395966.db2.gz XBEGBXNQMSNKID-UHFFFAOYSA-N 0 3 389.460 -0.178 20 0 GBADHN O=C(CC[N@H+](CCO)CCN1CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822965015 606395964 /nfs/dbraw/zinc/39/59/64/606395964.db2.gz XBEGBXNQMSNKID-UHFFFAOYSA-N 0 3 389.460 -0.178 20 0 GBADHN O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822965015 606395962 /nfs/dbraw/zinc/39/59/62/606395962.db2.gz XBEGBXNQMSNKID-UHFFFAOYSA-N 0 3 389.460 -0.178 20 0 GBADHN O=C(CC[N@H+](CCO)CCN1CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822965015 606395960 /nfs/dbraw/zinc/39/59/60/606395960.db2.gz XBEGBXNQMSNKID-UHFFFAOYSA-N 0 3 389.460 -0.178 20 0 GBADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000823005468 606769303 /nfs/dbraw/zinc/76/93/03/606769303.db2.gz SGXKDXIXBOAEKU-UHFFFAOYSA-N 0 3 387.444 -0.441 20 0 GBADHN O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NCC[NH+]1CCCC1 ZINC000823009875 606578644 /nfs/dbraw/zinc/57/86/44/606578644.db2.gz XZVQYXPCMCFRAH-UHFFFAOYSA-N 0 3 379.446 -0.643 20 0 GBADHN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000823130995 946324854 /nfs/dbraw/zinc/32/48/54/946324854.db2.gz AVAVFWIERKDUHD-UHFFFAOYSA-N 0 3 397.447 -0.818 20 0 GBADHN O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000823130995 946324840 /nfs/dbraw/zinc/32/48/40/946324840.db2.gz AVAVFWIERKDUHD-UHFFFAOYSA-N 0 3 397.447 -0.818 20 0 GBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823166718 606395225 /nfs/dbraw/zinc/39/52/25/606395225.db2.gz NYRKCGYAFNDKHT-GFCCVEGCSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823166718 606395223 /nfs/dbraw/zinc/39/52/23/606395223.db2.gz NYRKCGYAFNDKHT-GFCCVEGCSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823166719 606395004 /nfs/dbraw/zinc/39/50/04/606395004.db2.gz NYRKCGYAFNDKHT-LBPRGKRZSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823166719 606395002 /nfs/dbraw/zinc/39/50/02/606395002.db2.gz NYRKCGYAFNDKHT-LBPRGKRZSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166903 607333587 /nfs/dbraw/zinc/33/35/87/607333587.db2.gz SIKAXHRHGPNKKE-GFCCVEGCSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166904 607333769 /nfs/dbraw/zinc/33/37/69/607333769.db2.gz SIKAXHRHGPNKKE-LBPRGKRZSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182307 606402104 /nfs/dbraw/zinc/40/21/04/606402104.db2.gz KUKBOCLGTVUPEY-NEPJUHHUSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182307 606402102 /nfs/dbraw/zinc/40/21/02/606402102.db2.gz KUKBOCLGTVUPEY-NEPJUHHUSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182308 606401860 /nfs/dbraw/zinc/40/18/60/606401860.db2.gz KUKBOCLGTVUPEY-NWDGAFQWSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182308 606401859 /nfs/dbraw/zinc/40/18/59/606401859.db2.gz KUKBOCLGTVUPEY-NWDGAFQWSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182309 606402065 /nfs/dbraw/zinc/40/20/65/606402065.db2.gz KUKBOCLGTVUPEY-RYUDHWBXSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182309 606402064 /nfs/dbraw/zinc/40/20/64/606402064.db2.gz KUKBOCLGTVUPEY-RYUDHWBXSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182310 606402009 /nfs/dbraw/zinc/40/20/09/606402009.db2.gz KUKBOCLGTVUPEY-VXGBXAGGSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182310 606402008 /nfs/dbraw/zinc/40/20/08/606402008.db2.gz KUKBOCLGTVUPEY-VXGBXAGGSA-N 0 3 389.391 -0.076 20 0 GBADHN O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823187752 606401997 /nfs/dbraw/zinc/40/19/97/606401997.db2.gz QITBBJLVUONWHO-UHFFFAOYSA-N 0 3 391.407 -0.093 20 0 GBADHN O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823187752 606401996 /nfs/dbraw/zinc/40/19/96/606401996.db2.gz QITBBJLVUONWHO-UHFFFAOYSA-N 0 3 391.407 -0.093 20 0 GBADHN OCCN(CCN1CCOCC1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823721671 606396261 /nfs/dbraw/zinc/39/62/61/606396261.db2.gz GUJJQZZKCCAOGD-INIZCTEOSA-N 0 3 392.460 -0.767 20 0 GBADHN OCCN(CCN1CCOCC1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823721672 606396105 /nfs/dbraw/zinc/39/61/05/606396105.db2.gz GUJJQZZKCCAOGD-MRXNPFEDSA-N 0 3 392.460 -0.767 20 0 GBADHN CN(C)CCN1CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1=O ZINC000823866607 638007621 /nfs/dbraw/zinc/00/76/21/638007621.db2.gz ZRCPLVYGSATMCI-UHFFFAOYSA-N 0 3 385.262 -0.006 20 0 GBADHN C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824040637 608035055 /nfs/dbraw/zinc/03/50/55/608035055.db2.gz RPHUDGPCMDOSSE-MRVPVSSYSA-N 0 3 376.425 -0.587 20 0 GBADHN C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824040637 608035054 /nfs/dbraw/zinc/03/50/54/608035054.db2.gz RPHUDGPCMDOSSE-MRVPVSSYSA-N 0 3 376.425 -0.587 20 0 GBADHN C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824040638 608035208 /nfs/dbraw/zinc/03/52/08/608035208.db2.gz RPHUDGPCMDOSSE-QMMMGPOBSA-N 0 3 376.425 -0.587 20 0 GBADHN C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824040638 608035207 /nfs/dbraw/zinc/03/52/07/608035207.db2.gz RPHUDGPCMDOSSE-QMMMGPOBSA-N 0 3 376.425 -0.587 20 0 GBADHN CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824266184 946639279 /nfs/dbraw/zinc/63/92/79/946639279.db2.gz GBQMLNBBAIQOSW-JTQLQIEISA-N 0 3 392.468 -0.093 20 0 GBADHN CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824266184 946639274 /nfs/dbraw/zinc/63/92/74/946639274.db2.gz GBQMLNBBAIQOSW-JTQLQIEISA-N 0 3 392.468 -0.093 20 0 GBADHN CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824266185 946638277 /nfs/dbraw/zinc/63/82/77/946638277.db2.gz GBQMLNBBAIQOSW-SNVBAGLBSA-N 0 3 392.468 -0.093 20 0 GBADHN CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824266185 946638270 /nfs/dbraw/zinc/63/82/70/946638270.db2.gz GBQMLNBBAIQOSW-SNVBAGLBSA-N 0 3 392.468 -0.093 20 0 GBADHN C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824607509 608464280 /nfs/dbraw/zinc/46/42/80/608464280.db2.gz ZJQREERFPPZOBY-LLVKDONJSA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824607509 608464278 /nfs/dbraw/zinc/46/42/78/608464278.db2.gz ZJQREERFPPZOBY-LLVKDONJSA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824607510 608464064 /nfs/dbraw/zinc/46/40/64/608464064.db2.gz ZJQREERFPPZOBY-NSHDSACASA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824607510 608464063 /nfs/dbraw/zinc/46/40/63/608464063.db2.gz ZJQREERFPPZOBY-NSHDSACASA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-c2nn[n-]n2)c1 ZINC000824607580 608487471 /nfs/dbraw/zinc/48/74/71/608487471.db2.gz ZZGJZWOUYLWZKV-LLVKDONJSA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-c2nnn[n-]2)c1 ZINC000824607580 608487470 /nfs/dbraw/zinc/48/74/70/608487470.db2.gz ZZGJZWOUYLWZKV-LLVKDONJSA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-c2nn[n-]n2)c1 ZINC000824607583 608487510 /nfs/dbraw/zinc/48/75/10/608487510.db2.gz ZZGJZWOUYLWZKV-NSHDSACASA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-c2nnn[n-]2)c1 ZINC000824607583 608487509 /nfs/dbraw/zinc/48/75/09/608487509.db2.gz ZZGJZWOUYLWZKV-NSHDSACASA-N 0 3 395.427 -0.035 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000824635065 946881597 /nfs/dbraw/zinc/88/15/97/946881597.db2.gz YGSNXRIJEOSXKW-GFCCVEGCSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000824635065 946881582 /nfs/dbraw/zinc/88/15/82/946881582.db2.gz YGSNXRIJEOSXKW-GFCCVEGCSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000824635068 946880704 /nfs/dbraw/zinc/88/07/04/946880704.db2.gz YGSNXRIJEOSXKW-LBPRGKRZSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000824635068 946880693 /nfs/dbraw/zinc/88/06/93/946880693.db2.gz YGSNXRIJEOSXKW-LBPRGKRZSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CCC[NH+](C)C ZINC000824640666 946883420 /nfs/dbraw/zinc/88/34/20/946883420.db2.gz NAPPVYWKKLKMAF-GFCCVEGCSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CCC[NH+](C)C ZINC000824640666 946883407 /nfs/dbraw/zinc/88/34/07/946883407.db2.gz NAPPVYWKKLKMAF-GFCCVEGCSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CCC[NH+](C)C ZINC000824640667 946884044 /nfs/dbraw/zinc/88/40/44/946884044.db2.gz NAPPVYWKKLKMAF-LBPRGKRZSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CCC[NH+](C)C ZINC000824640667 946884033 /nfs/dbraw/zinc/88/40/33/946884033.db2.gz NAPPVYWKKLKMAF-LBPRGKRZSA-N 0 3 395.489 -0.056 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000825559408 638009728 /nfs/dbraw/zinc/00/97/28/638009728.db2.gz ZUQPHUYNWLGZHE-JTQLQIEISA-N 0 3 389.503 -0.343 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000825559412 638009891 /nfs/dbraw/zinc/00/98/91/638009891.db2.gz ZUQPHUYNWLGZHE-SNVBAGLBSA-N 0 3 389.503 -0.343 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000825602670 638009833 /nfs/dbraw/zinc/00/98/33/638009833.db2.gz LTGCSEXQAUMVCF-GFCCVEGCSA-N 0 3 375.495 -0.828 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000825602678 638009942 /nfs/dbraw/zinc/00/99/42/638009942.db2.gz LTGCSEXQAUMVCF-LBPRGKRZSA-N 0 3 375.495 -0.828 20 0 GBADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000825620535 607776026 /nfs/dbraw/zinc/77/60/26/607776026.db2.gz DAEOJNVYNMVWIX-KRWDZBQOSA-N 0 3 391.432 -0.367 20 0 GBADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000825620536 607775778 /nfs/dbraw/zinc/77/57/78/607775778.db2.gz DAEOJNVYNMVWIX-QGZVFWFLSA-N 0 3 391.432 -0.367 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825854929 607777199 /nfs/dbraw/zinc/77/71/99/607777199.db2.gz FCSAZCOVEVJMHD-KRWDZBQOSA-N 0 3 385.432 -0.323 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825854929 607777198 /nfs/dbraw/zinc/77/71/98/607777198.db2.gz FCSAZCOVEVJMHD-KRWDZBQOSA-N 0 3 385.432 -0.323 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825854930 607777183 /nfs/dbraw/zinc/77/71/83/607777183.db2.gz FCSAZCOVEVJMHD-QGZVFWFLSA-N 0 3 385.432 -0.323 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825854930 607777182 /nfs/dbraw/zinc/77/71/82/607777182.db2.gz FCSAZCOVEVJMHD-QGZVFWFLSA-N 0 3 385.432 -0.323 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000825855022 607775802 /nfs/dbraw/zinc/77/58/02/607775802.db2.gz GEXRPTZKHWYUNW-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000825855022 607775801 /nfs/dbraw/zinc/77/58/01/607775801.db2.gz GEXRPTZKHWYUNW-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000825855029 607776029 /nfs/dbraw/zinc/77/60/29/607776029.db2.gz GEXRPTZKHWYUNW-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000825855029 607776028 /nfs/dbraw/zinc/77/60/28/607776028.db2.gz GEXRPTZKHWYUNW-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825856088 607775960 /nfs/dbraw/zinc/77/59/60/607775960.db2.gz NKZCHQNWVCSOPG-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825856088 607775959 /nfs/dbraw/zinc/77/59/59/607775959.db2.gz NKZCHQNWVCSOPG-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825856089 607775992 /nfs/dbraw/zinc/77/59/92/607775992.db2.gz NKZCHQNWVCSOPG-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825856089 607775991 /nfs/dbraw/zinc/77/59/91/607775991.db2.gz NKZCHQNWVCSOPG-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825856209 607775936 /nfs/dbraw/zinc/77/59/36/607775936.db2.gz RNUPSANUEMASNR-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825856209 607775935 /nfs/dbraw/zinc/77/59/35/607775935.db2.gz RNUPSANUEMASNR-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825856210 607775909 /nfs/dbraw/zinc/77/59/09/607775909.db2.gz RNUPSANUEMASNR-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825856210 607775908 /nfs/dbraw/zinc/77/59/08/607775908.db2.gz RNUPSANUEMASNR-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825856551 607775915 /nfs/dbraw/zinc/77/59/15/607775915.db2.gz WTISPMVAAKFEEZ-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825856551 607775914 /nfs/dbraw/zinc/77/59/14/607775914.db2.gz WTISPMVAAKFEEZ-HNNXBMFYSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825856552 607775906 /nfs/dbraw/zinc/77/59/06/607775906.db2.gz WTISPMVAAKFEEZ-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825856552 607775905 /nfs/dbraw/zinc/77/59/05/607775905.db2.gz WTISPMVAAKFEEZ-OAHLLOKOSA-N 0 3 381.824 -0.113 20 0 GBADHN C[NH+](C)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825865645 609366145 /nfs/dbraw/zinc/36/61/45/609366145.db2.gz JGFSQNAHCOBJDH-UHFFFAOYSA-N 0 3 387.379 -0.192 20 0 GBADHN C[NH+](C)CCOCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825870357 609296351 /nfs/dbraw/zinc/29/63/51/609296351.db2.gz INMQCEPMKYDERA-UHFFFAOYSA-N 0 3 385.432 -0.057 20 0 GBADHN C[NH+](C)CCOCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825870357 609296350 /nfs/dbraw/zinc/29/63/50/609296350.db2.gz INMQCEPMKYDERA-UHFFFAOYSA-N 0 3 385.432 -0.057 20 0 GBADHN C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825870358 607515906 /nfs/dbraw/zinc/51/59/06/607515906.db2.gz INVCVFDJEVAQCP-UHFFFAOYSA-N 0 3 383.416 -0.120 20 0 GBADHN C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825870578 607515816 /nfs/dbraw/zinc/51/58/16/607515816.db2.gz SQOYNAVTBKVBEE-UHFFFAOYSA-N 0 3 383.416 -0.120 20 0 GBADHN Cn1cc(N2CCC[C@@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)cn1 ZINC000825933411 608034107 /nfs/dbraw/zinc/03/41/07/608034107.db2.gz DCNWLTKMYILBGJ-CYBMUJFWSA-N 0 3 399.463 -0.035 20 0 GBADHN Cn1cc(N2CCC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)cn1 ZINC000825933411 608034106 /nfs/dbraw/zinc/03/41/06/608034106.db2.gz DCNWLTKMYILBGJ-CYBMUJFWSA-N 0 3 399.463 -0.035 20 0 GBADHN Cn1cc(N2CCC[C@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)cn1 ZINC000825933413 608033973 /nfs/dbraw/zinc/03/39/73/608033973.db2.gz DCNWLTKMYILBGJ-ZDUSSCGKSA-N 0 3 399.463 -0.035 20 0 GBADHN Cn1cc(N2CCC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)cn1 ZINC000825933413 608033972 /nfs/dbraw/zinc/03/39/72/608033972.db2.gz DCNWLTKMYILBGJ-ZDUSSCGKSA-N 0 3 399.463 -0.035 20 0 GBADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000825933900 608035936 /nfs/dbraw/zinc/03/59/36/608035936.db2.gz INMQPPMVYDDVSP-CYBMUJFWSA-N 0 3 389.464 -0.184 20 0 GBADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000825933900 608035935 /nfs/dbraw/zinc/03/59/35/608035935.db2.gz INMQPPMVYDDVSP-CYBMUJFWSA-N 0 3 389.464 -0.184 20 0 GBADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000825933902 608035986 /nfs/dbraw/zinc/03/59/86/608035986.db2.gz INMQPPMVYDDVSP-ZDUSSCGKSA-N 0 3 389.464 -0.184 20 0 GBADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000825933902 608035985 /nfs/dbraw/zinc/03/59/85/608035985.db2.gz INMQPPMVYDDVSP-ZDUSSCGKSA-N 0 3 389.464 -0.184 20 0 GBADHN Cn1ccc(N2CCC[C@@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n1 ZINC000825935125 608037019 /nfs/dbraw/zinc/03/70/19/608037019.db2.gz VIQPYDRXILWANP-GFCCVEGCSA-N 0 3 399.463 -0.035 20 0 GBADHN Cn1ccc(N2CCC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n1 ZINC000825935125 608037018 /nfs/dbraw/zinc/03/70/18/608037018.db2.gz VIQPYDRXILWANP-GFCCVEGCSA-N 0 3 399.463 -0.035 20 0 GBADHN Cn1ccc(N2CCC[C@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n1 ZINC000825935127 608037095 /nfs/dbraw/zinc/03/70/95/608037095.db2.gz VIQPYDRXILWANP-LBPRGKRZSA-N 0 3 399.463 -0.035 20 0 GBADHN Cn1ccc(N2CCC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n1 ZINC000825935127 608037094 /nfs/dbraw/zinc/03/70/94/608037094.db2.gz VIQPYDRXILWANP-LBPRGKRZSA-N 0 3 399.463 -0.035 20 0 GBADHN C[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000825938021 608353310 /nfs/dbraw/zinc/35/33/10/608353310.db2.gz MSJPJXSSPALNFU-UHFFFAOYSA-N 0 3 375.437 -0.033 20 0 GBADHN C[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000825938021 608353308 /nfs/dbraw/zinc/35/33/08/608353308.db2.gz MSJPJXSSPALNFU-UHFFFAOYSA-N 0 3 375.437 -0.033 20 0 GBADHN C[N@@H+](CCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000825941699 609316573 /nfs/dbraw/zinc/31/65/73/609316573.db2.gz NNMNMGCIZHBWCU-UHFFFAOYSA-N 0 3 381.462 -0.593 20 0 GBADHN C[N@H+](CCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000825941699 609316571 /nfs/dbraw/zinc/31/65/71/609316571.db2.gz NNMNMGCIZHBWCU-UHFFFAOYSA-N 0 3 381.462 -0.593 20 0 GBADHN C[N@@H+](CCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000825941699 609316569 /nfs/dbraw/zinc/31/65/69/609316569.db2.gz NNMNMGCIZHBWCU-UHFFFAOYSA-N 0 3 381.462 -0.593 20 0 GBADHN C[N@H+](CCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000825941699 609316568 /nfs/dbraw/zinc/31/65/68/609316568.db2.gz NNMNMGCIZHBWCU-UHFFFAOYSA-N 0 3 381.462 -0.593 20 0 GBADHN CN(CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC[NH+](C)CC1 ZINC000826021627 608418170 /nfs/dbraw/zinc/41/81/70/608418170.db2.gz AXMGVKHMMMVACA-UHFFFAOYSA-N 0 3 394.505 -0.092 20 0 GBADHN CN(CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC[NH+](C)CC1 ZINC000826021627 608418168 /nfs/dbraw/zinc/41/81/68/608418168.db2.gz AXMGVKHMMMVACA-UHFFFAOYSA-N 0 3 394.505 -0.092 20 0 GBADHN CN1CCN(C[C@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)CC1 ZINC000826038339 608691065 /nfs/dbraw/zinc/69/10/65/608691065.db2.gz KEBJFYCZFWQTIZ-KRWDZBQOSA-N 0 3 397.487 -0.037 20 0 GBADHN CN1CCN(C[C@@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)CC1 ZINC000826038340 608691355 /nfs/dbraw/zinc/69/13/55/608691355.db2.gz KEBJFYCZFWQTIZ-QGZVFWFLSA-N 0 3 397.487 -0.037 20 0 GBADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826073017 947421772 /nfs/dbraw/zinc/42/17/72/947421772.db2.gz ASNJMEQDONZJOX-LLVKDONJSA-N 0 3 377.453 -0.351 20 0 GBADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826073018 947422329 /nfs/dbraw/zinc/42/23/29/947422329.db2.gz ASNJMEQDONZJOX-NSHDSACASA-N 0 3 377.453 -0.351 20 0 GBADHN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccc(O)cc2)c1-c1nnn[n-]1 ZINC000826077832 608022038 /nfs/dbraw/zinc/02/20/38/608022038.db2.gz XFADSFKRBFHOJN-UHFFFAOYSA-N 0 3 399.415 -0.184 20 0 GBADHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)c1-c1nnn[n-]1 ZINC000826083770 608021585 /nfs/dbraw/zinc/02/15/85/608021585.db2.gz QEEKPMHSUMURNL-UHFFFAOYSA-N 0 3 395.383 -0.122 20 0 GBADHN COCC[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826157800 609302638 /nfs/dbraw/zinc/30/26/38/609302638.db2.gz MOLYKUOTWIMMKJ-UHFFFAOYSA-N 0 3 380.457 -0.676 20 0 GBADHN COCC[N@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826157800 609302636 /nfs/dbraw/zinc/30/26/36/609302636.db2.gz MOLYKUOTWIMMKJ-UHFFFAOYSA-N 0 3 380.457 -0.676 20 0 GBADHN COCCNC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826160258 947503560 /nfs/dbraw/zinc/50/35/60/947503560.db2.gz LJXKVOQMEXUYBV-JSGCOSHPSA-N 0 3 391.480 -0.128 20 0 GBADHN COCCNC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826160259 947502536 /nfs/dbraw/zinc/50/25/36/947502536.db2.gz LJXKVOQMEXUYBV-OCCSQVGLSA-N 0 3 391.480 -0.128 20 0 GBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826185830 607775951 /nfs/dbraw/zinc/77/59/51/607775951.db2.gz VSUXOFZPUDGYOG-INIZCTEOSA-N 0 3 377.405 -0.757 20 0 GBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826185831 607775819 /nfs/dbraw/zinc/77/58/19/607775819.db2.gz VSUXOFZPUDGYOG-MRXNPFEDSA-N 0 3 377.405 -0.757 20 0 GBADHN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000826196253 607627753 /nfs/dbraw/zinc/62/77/53/607627753.db2.gz VRIVMUJRSGXGSK-CYBMUJFWSA-N 0 3 387.444 -0.098 20 0 GBADHN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC000826196253 607627751 /nfs/dbraw/zinc/62/77/51/607627751.db2.gz VRIVMUJRSGXGSK-CYBMUJFWSA-N 0 3 387.444 -0.098 20 0 GBADHN COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000826196254 607627638 /nfs/dbraw/zinc/62/76/38/607627638.db2.gz VRIVMUJRSGXGSK-ZDUSSCGKSA-N 0 3 387.444 -0.098 20 0 GBADHN COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC000826196254 607627636 /nfs/dbraw/zinc/62/76/36/607627636.db2.gz VRIVMUJRSGXGSK-ZDUSSCGKSA-N 0 3 387.444 -0.098 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826223199 607813001 /nfs/dbraw/zinc/81/30/01/607813001.db2.gz DVCJVUQEYVIAMI-GHMZBOCLSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826223199 607813000 /nfs/dbraw/zinc/81/30/00/607813000.db2.gz DVCJVUQEYVIAMI-GHMZBOCLSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826223200 607812965 /nfs/dbraw/zinc/81/29/65/607812965.db2.gz DVCJVUQEYVIAMI-WDEREUQCSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826223200 607812964 /nfs/dbraw/zinc/81/29/64/607812964.db2.gz DVCJVUQEYVIAMI-WDEREUQCSA-N 0 3 381.466 -0.882 20 0 GBADHN CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000826223597 607812897 /nfs/dbraw/zinc/81/28/97/607812897.db2.gz SQJYPFLDEHGZLD-LLVKDONJSA-N 0 3 376.446 -0.115 20 0 GBADHN CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826223597 607812896 /nfs/dbraw/zinc/81/28/96/607812896.db2.gz SQJYPFLDEHGZLD-LLVKDONJSA-N 0 3 376.446 -0.115 20 0 GBADHN CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000826223598 607812817 /nfs/dbraw/zinc/81/28/17/607812817.db2.gz SQJYPFLDEHGZLD-NSHDSACASA-N 0 3 376.446 -0.115 20 0 GBADHN CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826223598 607812816 /nfs/dbraw/zinc/81/28/16/607812816.db2.gz SQJYPFLDEHGZLD-NSHDSACASA-N 0 3 376.446 -0.115 20 0 GBADHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000826226591 608382674 /nfs/dbraw/zinc/38/26/74/608382674.db2.gz CEYFFBGGAUMBNQ-CHWSQXEVSA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226591 608382672 /nfs/dbraw/zinc/38/26/72/608382672.db2.gz CEYFFBGGAUMBNQ-CHWSQXEVSA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000826226592 608382393 /nfs/dbraw/zinc/38/23/93/608382393.db2.gz CEYFFBGGAUMBNQ-OLZOCXBDSA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226592 608382392 /nfs/dbraw/zinc/38/23/92/608382392.db2.gz CEYFFBGGAUMBNQ-OLZOCXBDSA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000826226593 608382562 /nfs/dbraw/zinc/38/25/62/608382562.db2.gz CEYFFBGGAUMBNQ-QWHCGFSZSA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226593 608382560 /nfs/dbraw/zinc/38/25/60/608382560.db2.gz CEYFFBGGAUMBNQ-QWHCGFSZSA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000826226594 608382697 /nfs/dbraw/zinc/38/26/97/608382697.db2.gz CEYFFBGGAUMBNQ-STQMWFEESA-N 0 3 383.503 -0.004 20 0 GBADHN CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226594 608382695 /nfs/dbraw/zinc/38/26/95/608382695.db2.gz CEYFFBGGAUMBNQ-STQMWFEESA-N 0 3 383.503 -0.004 20 0 GBADHN Cc1cc(N2CC[C@@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269469 608035133 /nfs/dbraw/zinc/03/51/33/608035133.db2.gz NDOQKMHURSNZKU-GFCCVEGCSA-N 0 3 399.463 -0.116 20 0 GBADHN Cc1cc(N2CC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269469 608035132 /nfs/dbraw/zinc/03/51/32/608035132.db2.gz NDOQKMHURSNZKU-GFCCVEGCSA-N 0 3 399.463 -0.116 20 0 GBADHN Cc1cc(N2CC[C@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269470 608035092 /nfs/dbraw/zinc/03/50/92/608035092.db2.gz NDOQKMHURSNZKU-LBPRGKRZSA-N 0 3 399.463 -0.116 20 0 GBADHN Cc1cc(N2CC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269470 608035091 /nfs/dbraw/zinc/03/50/91/608035091.db2.gz NDOQKMHURSNZKU-LBPRGKRZSA-N 0 3 399.463 -0.116 20 0 GBADHN Cc1onc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826347385 948052542 /nfs/dbraw/zinc/05/25/42/948052542.db2.gz PLRXKUUNAPHAEG-CYBMUJFWSA-N 0 3 390.448 -0.235 20 0 GBADHN Cc1onc(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826347385 948052535 /nfs/dbraw/zinc/05/25/35/948052535.db2.gz PLRXKUUNAPHAEG-CYBMUJFWSA-N 0 3 390.448 -0.235 20 0 GBADHN Cc1onc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826347386 948052603 /nfs/dbraw/zinc/05/26/03/948052603.db2.gz PLRXKUUNAPHAEG-ZDUSSCGKSA-N 0 3 390.448 -0.235 20 0 GBADHN Cc1onc(CC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826347386 948052597 /nfs/dbraw/zinc/05/25/97/948052597.db2.gz PLRXKUUNAPHAEG-ZDUSSCGKSA-N 0 3 390.448 -0.235 20 0 GBADHN Cn1cc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(=O)n(C)c1=O ZINC000826361248 608585297 /nfs/dbraw/zinc/58/52/97/608585297.db2.gz QQVGQMLIKBZTIS-UHFFFAOYSA-N 0 3 396.455 -0.024 20 0 GBADHN Cn1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(=O)n(C)c1=O ZINC000826361248 608585296 /nfs/dbraw/zinc/58/52/96/608585296.db2.gz QQVGQMLIKBZTIS-UHFFFAOYSA-N 0 3 396.455 -0.024 20 0 GBADHN Cn1cc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c(=O)n(C)c1=O ZINC000826361248 608585295 /nfs/dbraw/zinc/58/52/95/608585295.db2.gz QQVGQMLIKBZTIS-UHFFFAOYSA-N 0 3 396.455 -0.024 20 0 GBADHN Cn1cc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c(=O)n(C)c1=O ZINC000826361248 608585294 /nfs/dbraw/zinc/58/52/94/608585294.db2.gz QQVGQMLIKBZTIS-UHFFFAOYSA-N 0 3 396.455 -0.024 20 0 GBADHN Cn1cc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(=O)n(C)c1=O ZINC000826361346 608503156 /nfs/dbraw/zinc/50/31/56/608503156.db2.gz UDHSVTHKOFAVFP-UHFFFAOYSA-N 0 3 396.455 -0.418 20 0 GBADHN Cn1cc(CNCCNS(C)(=O)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361519 948131016 /nfs/dbraw/zinc/13/10/16/948131016.db2.gz AORMGUICLUXJOZ-UHFFFAOYSA-N 0 3 376.446 -0.094 20 0 GBADHN NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000826389255 608453995 /nfs/dbraw/zinc/45/39/95/608453995.db2.gz SXTRDOJAKDXTDL-CVEARBPZSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000826389255 608453994 /nfs/dbraw/zinc/45/39/94/608453994.db2.gz SXTRDOJAKDXTDL-CVEARBPZSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000826389256 608454193 /nfs/dbraw/zinc/45/41/93/608454193.db2.gz SXTRDOJAKDXTDL-HOTGVXAUSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000826389256 608454191 /nfs/dbraw/zinc/45/41/91/608454191.db2.gz SXTRDOJAKDXTDL-HOTGVXAUSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000826389257 608454001 /nfs/dbraw/zinc/45/40/01/608454001.db2.gz SXTRDOJAKDXTDL-HZPDHXFCSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000826389257 608454000 /nfs/dbraw/zinc/45/40/00/608454000.db2.gz SXTRDOJAKDXTDL-HZPDHXFCSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000826389258 608454099 /nfs/dbraw/zinc/45/40/99/608454099.db2.gz SXTRDOJAKDXTDL-JKSUJKDBSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000826389258 608454097 /nfs/dbraw/zinc/45/40/97/608454097.db2.gz SXTRDOJAKDXTDL-JKSUJKDBSA-N 0 3 398.471 -0.193 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826390313 607605506 /nfs/dbraw/zinc/60/55/06/607605506.db2.gz WMOHIJAGSCDZSM-GFCCVEGCSA-N 0 3 393.473 -0.268 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826390313 607605504 /nfs/dbraw/zinc/60/55/04/607605504.db2.gz WMOHIJAGSCDZSM-GFCCVEGCSA-N 0 3 393.473 -0.268 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826390314 607605276 /nfs/dbraw/zinc/60/52/76/607605276.db2.gz WMOHIJAGSCDZSM-LBPRGKRZSA-N 0 3 393.473 -0.268 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826390314 607605274 /nfs/dbraw/zinc/60/52/74/607605274.db2.gz WMOHIJAGSCDZSM-LBPRGKRZSA-N 0 3 393.473 -0.268 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390374 609219409 /nfs/dbraw/zinc/21/94/09/609219409.db2.gz XWWRTAZMNAMINV-CABCVRRESA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390374 609219408 /nfs/dbraw/zinc/21/94/08/609219408.db2.gz XWWRTAZMNAMINV-CABCVRRESA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390374 609219407 /nfs/dbraw/zinc/21/94/07/609219407.db2.gz XWWRTAZMNAMINV-CABCVRRESA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390374 609219406 /nfs/dbraw/zinc/21/94/06/609219406.db2.gz XWWRTAZMNAMINV-CABCVRRESA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390375 609219501 /nfs/dbraw/zinc/21/95/01/609219501.db2.gz XWWRTAZMNAMINV-GJZGRUSLSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390375 609219499 /nfs/dbraw/zinc/21/94/99/609219499.db2.gz XWWRTAZMNAMINV-GJZGRUSLSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390375 609219497 /nfs/dbraw/zinc/21/94/97/609219497.db2.gz XWWRTAZMNAMINV-GJZGRUSLSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390375 609219495 /nfs/dbraw/zinc/21/94/95/609219495.db2.gz XWWRTAZMNAMINV-GJZGRUSLSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390376 609219731 /nfs/dbraw/zinc/21/97/31/609219731.db2.gz XWWRTAZMNAMINV-HUUCEWRRSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390376 609219729 /nfs/dbraw/zinc/21/97/29/609219729.db2.gz XWWRTAZMNAMINV-HUUCEWRRSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390376 609219727 /nfs/dbraw/zinc/21/97/27/609219727.db2.gz XWWRTAZMNAMINV-HUUCEWRRSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390376 609219725 /nfs/dbraw/zinc/21/97/25/609219725.db2.gz XWWRTAZMNAMINV-HUUCEWRRSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390377 609219434 /nfs/dbraw/zinc/21/94/34/609219434.db2.gz XWWRTAZMNAMINV-LSDHHAIUSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826390377 609219432 /nfs/dbraw/zinc/21/94/32/609219432.db2.gz XWWRTAZMNAMINV-LSDHHAIUSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390377 609219430 /nfs/dbraw/zinc/21/94/30/609219430.db2.gz XWWRTAZMNAMINV-LSDHHAIUSA-N 0 3 387.444 -0.396 20 0 GBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826390377 609219429 /nfs/dbraw/zinc/21/94/29/609219429.db2.gz XWWRTAZMNAMINV-LSDHHAIUSA-N 0 3 387.444 -0.396 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000827306549 638013217 /nfs/dbraw/zinc/01/32/17/638013217.db2.gz IFLLAMJQFFAJGE-GFCCVEGCSA-N 0 3 389.499 -0.421 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000827306550 638013270 /nfs/dbraw/zinc/01/32/70/638013270.db2.gz IFLLAMJQFFAJGE-LBPRGKRZSA-N 0 3 389.499 -0.421 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000828081913 638015086 /nfs/dbraw/zinc/01/50/86/638015086.db2.gz FEDPYRRHKFAVBI-CYBMUJFWSA-N 0 3 376.479 -0.878 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000828081916 638015123 /nfs/dbraw/zinc/01/51/23/638015123.db2.gz FEDPYRRHKFAVBI-ZDUSSCGKSA-N 0 3 376.479 -0.878 20 0 GBADHN CN1CCC2(CC1)CN(S(=O)(=O)N1CCC3(CC1)OCCO3)CCO2 ZINC000828252462 638015904 /nfs/dbraw/zinc/01/59/04/638015904.db2.gz WEJQEKFBXMOTOJ-UHFFFAOYSA-N 0 3 375.491 -0.133 20 0 GBADHN CN(CCNC(=O)c1cc(=O)n(C)cc1Br)CCOCCO ZINC000829445328 638019191 /nfs/dbraw/zinc/01/91/91/638019191.db2.gz WFRAHRVWXNXWQW-UHFFFAOYSA-N 0 3 376.251 -0.182 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829446818 638019010 /nfs/dbraw/zinc/01/90/10/638019010.db2.gz AMBRHLNBWMGBJB-JTQLQIEISA-N 0 3 389.396 -0.055 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829446825 638019225 /nfs/dbraw/zinc/01/92/25/638019225.db2.gz AMBRHLNBWMGBJB-SNVBAGLBSA-N 0 3 389.396 -0.055 20 0 GBADHN Cc1cc([C@H](N)CC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc(Cl)n1 ZINC000830703995 638023136 /nfs/dbraw/zinc/02/31/36/638023136.db2.gz TYBAPQIJJQSVNE-CYBMUJFWSA-N 0 3 389.909 -0.134 20 0 GBADHN Cc1cc([C@@H](N)CC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc(Cl)n1 ZINC000830703996 638023039 /nfs/dbraw/zinc/02/30/39/638023039.db2.gz TYBAPQIJJQSVNE-ZDUSSCGKSA-N 0 3 389.909 -0.134 20 0 GBADHN O=C([O-])CCCN1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000833772791 605227999 /nfs/dbraw/zinc/22/79/99/605227999.db2.gz AKXRAXQZTLIFHK-KRWDZBQOSA-N 0 3 382.505 -0.162 20 0 GBADHN O=C([O-])CCCN1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000833772792 605227921 /nfs/dbraw/zinc/22/79/21/605227921.db2.gz AKXRAXQZTLIFHK-QGZVFWFLSA-N 0 3 382.505 -0.162 20 0 GBADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000842510967 638043613 /nfs/dbraw/zinc/04/36/13/638043613.db2.gz VVQXGEUQVJOUCY-LLVKDONJSA-N 0 3 391.877 -0.017 20 0 GBADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000842510968 638043527 /nfs/dbraw/zinc/04/35/27/638043527.db2.gz VVQXGEUQVJOUCY-NSHDSACASA-N 0 3 391.877 -0.017 20 0 GBADHN Cc1[nH]nc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1Br ZINC000842513667 638043493 /nfs/dbraw/zinc/04/34/93/638043493.db2.gz PFKWQQYDOLOFIR-UHFFFAOYSA-N 0 3 392.279 -0.460 20 0 GBADHN CCN(C(=O)CONC(=N)COC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000842655839 638044079 /nfs/dbraw/zinc/04/40/79/638044079.db2.gz PSFRWSVLWPXEIA-CHWSQXEVSA-N 0 3 377.463 -0.284 20 0 GBADHN CCN(C(=O)CONC(=N)COC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000842655848 638044160 /nfs/dbraw/zinc/04/41/60/638044160.db2.gz PSFRWSVLWPXEIA-OLZOCXBDSA-N 0 3 377.463 -0.284 20 0 GBADHN CCN(C(=O)CONC(=N)COC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000842655851 638044194 /nfs/dbraw/zinc/04/41/94/638044194.db2.gz PSFRWSVLWPXEIA-QWHCGFSZSA-N 0 3 377.463 -0.284 20 0 GBADHN CCN(C(=O)CONC(=N)COC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000842655854 638044000 /nfs/dbraw/zinc/04/40/00/638044000.db2.gz PSFRWSVLWPXEIA-STQMWFEESA-N 0 3 377.463 -0.284 20 0 GBADHN C[C@H](CC(=O)NCCN1CC[NH2+]CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843314630 638049115 /nfs/dbraw/zinc/04/91/15/638049115.db2.gz NUKFKUVOHAZLJR-GFCCVEGCSA-N 0 3 389.909 -0.187 20 0 GBADHN C[C@@H](CC(=O)NCCN1CC[NH2+]CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843314631 638049055 /nfs/dbraw/zinc/04/90/55/638049055.db2.gz NUKFKUVOHAZLJR-LBPRGKRZSA-N 0 3 389.909 -0.187 20 0 GBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CN)CC1 ZINC000843390678 638049759 /nfs/dbraw/zinc/04/97/59/638049759.db2.gz CFUGRZXIALYOBF-UHFFFAOYSA-N 0 3 375.472 -0.810 20 0 GBADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000843391305 638049433 /nfs/dbraw/zinc/04/94/33/638049433.db2.gz COFRADRBTKTPGE-AGIUHOORSA-N 0 3 381.520 -0.979 20 0 GBADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000843391306 638049518 /nfs/dbraw/zinc/04/95/18/638049518.db2.gz COFRADRBTKTPGE-UPJWGTAASA-N 0 3 381.520 -0.979 20 0 GBADHN CC(C)[C@H](N)C(=O)NCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000843445753 638049700 /nfs/dbraw/zinc/04/97/00/638049700.db2.gz HLMGFDUXFRWPGZ-NSHDSACASA-N 0 3 388.412 -0.484 20 0 GBADHN C[C@H](CC(=O)N1CCO[C@H](C[NH3+])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843462449 638050329 /nfs/dbraw/zinc/05/03/29/638050329.db2.gz FFCVUVZZPRQKFC-GHMZBOCLSA-N 0 3 376.866 -0.022 20 0 GBADHN C[C@H](CC(=O)N1CCO[C@@H](C[NH3+])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843462450 638050349 /nfs/dbraw/zinc/05/03/49/638050349.db2.gz FFCVUVZZPRQKFC-MNOVXSKESA-N 0 3 376.866 -0.022 20 0 GBADHN C[C@@H](CC(=O)N1CCO[C@@H](C[NH3+])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843462451 638050118 /nfs/dbraw/zinc/05/01/18/638050118.db2.gz FFCVUVZZPRQKFC-QWRGUYRKSA-N 0 3 376.866 -0.022 20 0 GBADHN C[C@@H](CC(=O)N1CCO[C@H](C[NH3+])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843462452 638050225 /nfs/dbraw/zinc/05/02/25/638050225.db2.gz FFCVUVZZPRQKFC-WDEREUQCSA-N 0 3 376.866 -0.022 20 0 GBADHN CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c(Cl)s1 ZINC000844226058 638054719 /nfs/dbraw/zinc/05/47/19/638054719.db2.gz 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[NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)n1 ZINC000851687024 638150983 /nfs/dbraw/zinc/15/09/83/638150983.db2.gz XYVWEFAZNADDKK-BREBYQMCSA-N 0 3 383.499 -0.247 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)n1 ZINC000851687025 638150906 /nfs/dbraw/zinc/15/09/06/638150906.db2.gz XYVWEFAZNADDKK-GBIKHYSHSA-N 0 3 383.499 -0.247 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)n1 ZINC000851687026 638150752 /nfs/dbraw/zinc/15/07/52/638150752.db2.gz XYVWEFAZNADDKK-GIPNMCIBSA-N 0 3 383.499 -0.247 20 0 GBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)n1 ZINC000851687027 638151612 /nfs/dbraw/zinc/15/16/12/638151612.db2.gz XYVWEFAZNADDKK-NRUUGDAUSA-N 0 3 383.499 -0.247 20 0 GBADHN [NH3+]C[C@H]1CC(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)=NO1 ZINC000852890338 638162637 /nfs/dbraw/zinc/16/26/37/638162637.db2.gz IZEVTDIASUCHIS-SECBINFHSA-N 0 3 378.813 -0.023 20 0 GBADHN [NH3+]C[C@@H]1CC(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)=NO1 ZINC000852890350 638162934 /nfs/dbraw/zinc/16/29/34/638162934.db2.gz IZEVTDIASUCHIS-VIFPVBQESA-N 0 3 378.813 -0.023 20 0 GBADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=S)NCCNS(C)(=O)=O ZINC000853052155 638166522 /nfs/dbraw/zinc/16/65/22/638166522.db2.gz YKDXXRXKSJUSFY-CYBMUJFWSA-N 0 3 378.564 -0.015 20 0 GBADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=S)NCCNS(C)(=O)=O ZINC000853052156 638166562 /nfs/dbraw/zinc/16/65/62/638166562.db2.gz YKDXXRXKSJUSFY-ZDUSSCGKSA-N 0 3 378.564 -0.015 20 0 GBADHN Cn1nc(Br)c2c1ncn(CC(=O)N1CCOC3(CNC3)C1)c2=O ZINC000853245625 638168947 /nfs/dbraw/zinc/16/89/47/638168947.db2.gz NBKMJXKHMCEJDD-UHFFFAOYSA-N 0 3 397.233 -0.907 20 0 GBADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000854466926 638179389 /nfs/dbraw/zinc/17/93/89/638179389.db2.gz OAZNQOPCKUPRCA-LLVKDONJSA-N 0 3 393.893 -0.083 20 0 GBADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000854466927 638179082 /nfs/dbraw/zinc/17/90/82/638179082.db2.gz OAZNQOPCKUPRCA-NSHDSACASA-N 0 3 393.893 -0.083 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854467319 638179358 /nfs/dbraw/zinc/17/93/58/638179358.db2.gz DUJXGQHCRMTCAY-SECBINFHSA-N 0 3 380.264 -0.251 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854467320 638179111 /nfs/dbraw/zinc/17/91/11/638179111.db2.gz DUJXGQHCRMTCAY-VIFPVBQESA-N 0 3 380.264 -0.251 20 0 GBADHN C[C@H](CC(=O)N[C@@H](CO)CN(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467844 638179100 /nfs/dbraw/zinc/17/91/00/638179100.db2.gz YXPKRXSLYPUQJM-GHMZBOCLSA-N 0 3 378.882 -0.169 20 0 GBADHN C[C@H](CC(=O)N[C@H](CO)CN(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467845 638179446 /nfs/dbraw/zinc/17/94/46/638179446.db2.gz YXPKRXSLYPUQJM-MNOVXSKESA-N 0 3 378.882 -0.169 20 0 GBADHN C[C@@H](CC(=O)N[C@H](CO)CN(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467846 638179512 /nfs/dbraw/zinc/17/95/12/638179512.db2.gz YXPKRXSLYPUQJM-QWRGUYRKSA-N 0 3 378.882 -0.169 20 0 GBADHN C[C@@H](CC(=O)N[C@@H](CO)CN(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467847 638179269 /nfs/dbraw/zinc/17/92/69/638179269.db2.gz YXPKRXSLYPUQJM-WDEREUQCSA-N 0 3 378.882 -0.169 20 0 GBADHN CN(C)C[C@H](CO)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000854468267 638179247 /nfs/dbraw/zinc/17/92/47/638179247.db2.gz PXFSNIJHYDOEFT-LLVKDONJSA-N 0 3 384.483 -0.050 20 0 GBADHN CN(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000854468268 638179316 /nfs/dbraw/zinc/17/93/16/638179316.db2.gz PXFSNIJHYDOEFT-NSHDSACASA-N 0 3 384.483 -0.050 20 0 GBADHN Cn1nc(Br)c2c1ncn(CC(=O)N1CCN3CC[C@H]1C3)c2=O ZINC000854727144 638183028 /nfs/dbraw/zinc/18/30/28/638183028.db2.gz BNGWMCGSBPQSHS-VIFPVBQESA-N 0 3 381.234 -0.191 20 0 GBADHN CN(C)CCONC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000854945811 638194537 /nfs/dbraw/zinc/19/45/37/638194537.db2.gz QQBXILUUCNVAGX-BFHYXJOUSA-N 0 3 375.491 -0.295 20 0 GBADHN CN(C)CCONC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000854945812 638194711 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CN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000859363454 638222863 /nfs/dbraw/zinc/22/28/63/638222863.db2.gz YRGZYMIDOLPJBA-SNVBAGLBSA-N 0 3 388.877 -0.072 20 0 GBADHN CN(C)CCN(C)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000859807146 638227007 /nfs/dbraw/zinc/22/70/07/638227007.db2.gz DAXAWTGTNNTIPV-UHFFFAOYSA-N 0 3 376.866 -0.263 20 0 GBADHN CC1(C)CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCN1 ZINC000859835273 638227086 /nfs/dbraw/zinc/22/70/86/638227086.db2.gz RCXJSGJOZXOYTJ-UHFFFAOYSA-N 0 3 388.877 -0.072 20 0 GBADHN CN(C)CCONC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000861858034 638240206 /nfs/dbraw/zinc/24/02/06/638240206.db2.gz LRYLUDDNSQRWTI-UHFFFAOYSA-N 0 3 378.838 -0.673 20 0 GBADHN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN3CC[C@H]2C3)c1 ZINC000861859740 638240358 /nfs/dbraw/zinc/24/03/58/638240358.db2.gz ALJNXRSWTFIVGN-JTQLQIEISA-N 0 3 386.861 -0.366 20 0 GBADHN C[C@@H](NCCNS(=O)(=O)N(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364544 638244934 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-0.025 20 0 GBADHN C[C@H](CC(=O)NCCN1CC[C@H](O)C1)NS(=O)(=O)c1cccnc1Cl ZINC000863832241 638257236 /nfs/dbraw/zinc/25/72/36/638257236.db2.gz WBKGIQXTTDBDAU-NEPJUHHUSA-N 0 3 390.893 -0.025 20 0 GBADHN C[C@@H](CC(=O)NCCN1CC[C@H](O)C1)NS(=O)(=O)c1cccnc1Cl ZINC000863832242 638257204 /nfs/dbraw/zinc/25/72/04/638257204.db2.gz WBKGIQXTTDBDAU-RYUDHWBXSA-N 0 3 390.893 -0.025 20 0 GBADHN CN(CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C1CCC1 ZINC000863859104 638257280 /nfs/dbraw/zinc/25/72/80/638257280.db2.gz KEPLAXLKILZXOD-AWEZNQCLSA-N 0 3 393.531 -0.868 20 0 GBADHN CN(CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C1CCC1 ZINC000863859105 638257753 /nfs/dbraw/zinc/25/77/53/638257753.db2.gz KEPLAXLKILZXOD-CQSZACIVSA-N 0 3 393.531 -0.868 20 0 GBADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000864647336 638260196 /nfs/dbraw/zinc/26/01/96/638260196.db2.gz LXFDSQWNLGSRCN-LBPRGKRZSA-N 0 3 378.495 -0.455 20 0 GBADHN Cn1ncc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1I ZINC000866736814 638265814 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GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn(C)c1Br ZINC000867451681 638268831 /nfs/dbraw/zinc/26/88/31/638268831.db2.gz ZWBRNFIUFJDITJ-VIFPVBQESA-N 0 3 394.295 -0.077 20 0 GBADHN CN(C)CCN1CCN(S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000867457378 638269094 /nfs/dbraw/zinc/26/90/94/638269094.db2.gz DAQRDAWSIUCTEH-UHFFFAOYSA-N 0 3 394.295 -0.423 20 0 GBADHN CN(C)CCN1CCN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000867458457 638269756 /nfs/dbraw/zinc/26/97/56/638269756.db2.gz MZXCCJLTYGIVAS-UHFFFAOYSA-N 0 3 383.396 -0.167 20 0 GBADHN CN(C)CCN1CCN(S(=O)(=O)c2cnn(C)c2Br)CC1=O ZINC000867459601 638269775 /nfs/dbraw/zinc/26/97/75/638269775.db2.gz ZJGCTYBMRQOIAP-UHFFFAOYSA-N 0 3 394.295 -0.423 20 0 GBADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000867581526 638270908 /nfs/dbraw/zinc/27/09/08/638270908.db2.gz NWNHVVGTPQAJFG-UHFFFAOYSA-N 0 3 399.579 -0.112 20 0 GBADHN CCS(=O)(=O)NCCS(=O)(=O)N(CCOC)CC1CCN(C)CC1 ZINC000867582237 638270749 /nfs/dbraw/zinc/27/07/49/638270749.db2.gz 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COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1=O ZINC000868389941 638274798 /nfs/dbraw/zinc/27/47/98/638274798.db2.gz VTRCQCDWVGGQMB-MELADBBJSA-N 0 3 377.507 -0.649 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1=O ZINC000868389943 638274786 /nfs/dbraw/zinc/27/47/86/638274786.db2.gz VTRCQCDWVGGQMB-MGPQQGTHSA-N 0 3 377.507 -0.649 20 0 GBADHN CN(C)CCN1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1=O ZINC000869131079 638276028 /nfs/dbraw/zinc/27/60/28/638276028.db2.gz HEPVZEKVWWMYAV-UHFFFAOYSA-N 0 3 385.262 -0.157 20 0 GBADHN COC(=O)CC[C@@H](N)C(=O)NCc1c(I)cnn1C ZINC000871020261 638279345 /nfs/dbraw/zinc/27/93/45/638279345.db2.gz REJGQEUTCXUOPF-MRVPVSSYSA-N 0 3 380.186 -0.079 20 0 GBADHN COC(=O)CC[C@H](N)C(=O)NCc1c(I)cnn1C ZINC000871020262 638279264 /nfs/dbraw/zinc/27/92/64/638279264.db2.gz REJGQEUTCXUOPF-QMMMGPOBSA-N 0 3 380.186 -0.079 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000871810950 638280367 /nfs/dbraw/zinc/28/03/67/638280367.db2.gz LMWHLPPAUCDEFR-HNNXBMFYSA-N 0 3 388.515 -0.888 20 0 GBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000871810951 638280484 /nfs/dbraw/zinc/28/04/84/638280484.db2.gz LMWHLPPAUCDEFR-OAHLLOKOSA-N 0 3 388.515 -0.888 20 0 GBADHN Cn1ncc(I)c1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000872243513 638281076 /nfs/dbraw/zinc/28/10/76/638281076.db2.gz YBNOGUXUGDRHJR-LLVKDONJSA-N 0 3 393.273 -0.277 20 0 GBADHN Cn1ncc(I)c1CNC[C@H](O)CN1CCN(C)CC1 ZINC000872243514 638281087 /nfs/dbraw/zinc/28/10/87/638281087.db2.gz YBNOGUXUGDRHJR-NSHDSACASA-N 0 3 393.273 -0.277 20 0 GBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)C1 ZINC000872615489 638283576 /nfs/dbraw/zinc/28/35/76/638283576.db2.gz CIGTVPHTWHZKRS-QLFBSQMISA-N 0 3 375.491 -0.353 20 0 GBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)C1 ZINC000872615490 638283602 /nfs/dbraw/zinc/28/36/02/638283602.db2.gz CIGTVPHTWHZKRS-SOUVJXGZSA-N 0 3 375.491 -0.353 20 0 GBADHN CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)CC1 ZINC000872615652 638283442 /nfs/dbraw/zinc/28/34/42/638283442.db2.gz KAHNIHSXTDIFEB-UONOGXRCSA-N 0 3 376.479 -0.854 20 0 GBADHN CCOC(=O)C1CCN(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)CC1 ZINC000872615834 638283416 /nfs/dbraw/zinc/28/34/16/638283416.db2.gz QAVIISYZZKKSOX-LSDHHAIUSA-N 0 3 375.491 -0.353 20 0 GBADHN CCN(CC)S(=O)(=O)N1CCN(C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873219167 638285163 /nfs/dbraw/zinc/28/51/63/638285163.db2.gz DNSQBCSBHZMXMY-HNNXBMFYSA-N 0 3 375.539 -0.612 20 0 GBADHN CCN(CC)S(=O)(=O)N1CCN(C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873219169 638285139 /nfs/dbraw/zinc/28/51/39/638285139.db2.gz DNSQBCSBHZMXMY-OAHLLOKOSA-N 0 3 375.539 -0.612 20 0 GBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)CCSC1 ZINC000875073062 638286934 /nfs/dbraw/zinc/28/69/34/638286934.db2.gz AKGIXRWBLQIFFO-BSEYFRJRSA-N 0 3 377.536 -0.724 20 0 GBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)CCSC1 ZINC000875073064 638287155 /nfs/dbraw/zinc/28/71/55/638287155.db2.gz AKGIXRWBLQIFFO-JBEBIEQOSA-N 0 3 377.536 -0.724 20 0 GBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)CCSC1 ZINC000875073066 638287112 /nfs/dbraw/zinc/28/71/12/638287112.db2.gz AKGIXRWBLQIFFO-LFPIHBKWSA-N 0 3 377.536 -0.724 20 0 GBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)CCSC1 ZINC000875073068 638286917 /nfs/dbraw/zinc/28/69/17/638286917.db2.gz AKGIXRWBLQIFFO-SHACYNPGSA-N 0 3 377.536 -0.724 20 0 GBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCS(C)(=O)=O)CC1 ZINC000875077317 638287695 /nfs/dbraw/zinc/28/76/95/638287695.db2.gz ZLYWUMWPEIOZCF-UHFFFAOYSA-N 0 3 375.491 -0.749 20 0 GBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875086003 638287731 /nfs/dbraw/zinc/28/77/31/638287731.db2.gz MEAILYNJMJWDBZ-UHFFFAOYSA-N 0 3 376.523 -0.283 20 0 GBADHN CCN(CCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)S(C)(=O)=O ZINC000875108480 638287702 /nfs/dbraw/zinc/28/77/02/638287702.db2.gz PKGCPNQMPGMXQJ-UHFFFAOYSA-N 0 3 376.523 -0.283 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)NCc2c(I)cnn2C)C1 ZINC000876300918 638290481 /nfs/dbraw/zinc/29/04/81/638290481.db2.gz LULVYNUKJXHAHK-GFCCVEGCSA-N 0 3 393.229 -0.110 20 0 GBADHN CN1CC[C@](O)(CNC(=O)NCc2c(I)cnn2C)C1 ZINC000876300919 638290325 /nfs/dbraw/zinc/29/03/25/638290325.db2.gz LULVYNUKJXHAHK-LBPRGKRZSA-N 0 3 393.229 -0.110 20 0 GBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000876471824 638290375 /nfs/dbraw/zinc/29/03/75/638290375.db2.gz QKPGQHNIWTVSMY-INIZCTEOSA-N 0 3 377.507 -0.536 20 0 GBADHN COC[C@]1(CN(C)C)COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000876471832 638290468 /nfs/dbraw/zinc/29/04/68/638290468.db2.gz QKPGQHNIWTVSMY-MRXNPFEDSA-N 0 3 377.507 -0.536 20 0 GBADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1c(Br)nnn1C ZINC000876474709 638290421 /nfs/dbraw/zinc/29/04/21/638290421.db2.gz GJJJFWQHMUDRBF-CYBMUJFWSA-N 0 3 376.255 -0.003 20 0 GBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1c(Br)nnn1C ZINC000876474711 638290525 /nfs/dbraw/zinc/29/05/25/638290525.db2.gz GJJJFWQHMUDRBF-ZDUSSCGKSA-N 0 3 376.255 -0.003 20 0 GBADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000876476886 638290390 /nfs/dbraw/zinc/29/03/90/638290390.db2.gz HVRJZZBBMCUQCJ-GOEBONIOSA-N 0 3 377.507 -0.536 20 0 GBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000876476887 638290548 /nfs/dbraw/zinc/29/05/48/638290548.db2.gz HVRJZZBBMCUQCJ-HOCLYGCPSA-N 0 3 377.507 -0.536 20 0 GBADHN CN(C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000876554430 638291092 /nfs/dbraw/zinc/29/10/92/638291092.db2.gz NLEJZZGGHORVQR-ZDUSSCGKSA-N 0 3 376.429 -0.313 20 0 GBADHN CN(C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000876564697 638291159 /nfs/dbraw/zinc/29/11/59/638291159.db2.gz ULCDLJDKQHKCBL-ZDUSSCGKSA-N 0 3 376.429 -0.313 20 0 GBADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@]2(COC)CCCCN2)CC1 ZINC000876569278 638291193 /nfs/dbraw/zinc/29/11/93/638291193.db2.gz FICCAQHJTZALEV-INIZCTEOSA-N 0 3 376.523 -0.124 20 0 GBADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@]2(COC)CCCCN2)CC1 ZINC000876569279 638291004 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1073026145 /nfs/dbraw/zinc/02/61/45/1073026145.db2.gz JTMRESGKRVHUJK-GJZGRUSLSA-N 0 3 385.509 -0.239 20 0 GBADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000894599319 1073026024 /nfs/dbraw/zinc/02/60/24/1073026024.db2.gz JTMRESGKRVHUJK-HUUCEWRRSA-N 0 3 385.509 -0.239 20 0 GBADHN CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000894599320 1073026371 /nfs/dbraw/zinc/02/63/71/1073026371.db2.gz JTMRESGKRVHUJK-LSDHHAIUSA-N 0 3 385.509 -0.239 20 0 GBADHN CN1CCN(CCNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1(C)C ZINC000894601337 637390627 /nfs/dbraw/zinc/39/06/27/637390627.db2.gz KPTLDRVKIUIUEX-AWEZNQCLSA-N 0 3 376.523 -0.533 20 0 GBADHN CN1CCN(CCNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1(C)C ZINC000894601342 637390695 /nfs/dbraw/zinc/39/06/95/637390695.db2.gz KPTLDRVKIUIUEX-CQSZACIVSA-N 0 3 376.523 -0.533 20 0 GBADHN C[C@@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1CS(N)(=O)=O ZINC000894601759 637390729 /nfs/dbraw/zinc/39/07/29/637390729.db2.gz MKBGYSGDACPNBJ-KGLIPLIRSA-N 0 3 375.539 -0.422 20 0 GBADHN CN1CCN(CCNC(=O)NCCS(=O)(=O)N2CCCC2)CC1(C)C ZINC000894602887 637390706 /nfs/dbraw/zinc/39/07/06/637390706.db2.gz XANDMRAEEZKHCS-UHFFFAOYSA-N 0 3 375.539 -0.263 20 0 GBADHN CN1CCN(C)CCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000895297299 1073312546 /nfs/dbraw/zinc/31/25/46/1073312546.db2.gz CASVZAAKOTXKTN-UHFFFAOYSA-N 0 3 383.537 -0.243 20 0 GBADHN CNc1nc(N2CC[C@@H](C3OCCO3)C2)nc(N2CC[C@H](C3OCCO3)C2)n1 ZINC000895525393 1073322226 /nfs/dbraw/zinc/32/22/26/1073322226.db2.gz VSSMNSCLXFLSSU-BETUJISGSA-N 0 3 392.460 -0.266 20 0 GBADHN CN(CCN(C)C(=O)C1CN([C@H]2CCOC2)C1)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000895760601 1073325730 /nfs/dbraw/zinc/32/57/30/1073325730.db2.gz HPYJGKNUNLZJLP-HDICACEKSA-N 0 3 394.516 -0.655 20 0 GBADHN CN(CCN(C)C(=O)C1CN([C@@H]2CCOC2)C1)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000895760606 1073325822 /nfs/dbraw/zinc/32/58/22/1073325822.db2.gz HPYJGKNUNLZJLP-QZTJIDSGSA-N 0 3 394.516 -0.655 20 0 GBADHN CN(CCN(C)C(=O)C1CN([C@H]2CCOC2)C1)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000895760608 1073325298 /nfs/dbraw/zinc/32/52/98/1073325298.db2.gz HPYJGKNUNLZJLP-ROUUACIJSA-N 0 3 394.516 -0.655 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000896162614 637402051 /nfs/dbraw/zinc/40/20/51/637402051.db2.gz GDUAIPFDFVUEEZ-INIZCTEOSA-N 0 3 375.491 -0.797 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000896162615 637401906 /nfs/dbraw/zinc/40/19/06/637401906.db2.gz GDUAIPFDFVUEEZ-MRXNPFEDSA-N 0 3 375.491 -0.797 20 0 GBADHN Cn1cc(-c2[nH]ncc2C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cn1 ZINC000896234242 1073335189 /nfs/dbraw/zinc/33/51/89/1073335189.db2.gz HQODGUPTWZJJBH-UHFFFAOYSA-N 0 3 386.460 -0.065 20 0 GBADHN O=C(Cn1ccc(NC(=O)C2CN(C3CCOCC3)C2)n1)N1CCOCC1 ZINC000896417301 1073340835 /nfs/dbraw/zinc/34/08/35/1073340835.db2.gz RVPDMUJMKWBOGU-UHFFFAOYSA-N 0 3 377.445 -0.209 20 0 GBADHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896571504 1073351204 /nfs/dbraw/zinc/35/12/04/1073351204.db2.gz LBVAYBGZFWMAPJ-BXUZGUMPSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896571504 1073351196 /nfs/dbraw/zinc/35/11/96/1073351196.db2.gz LBVAYBGZFWMAPJ-BXUZGUMPSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896571505 1073351724 /nfs/dbraw/zinc/35/17/24/1073351724.db2.gz LBVAYBGZFWMAPJ-FZMZJTMJSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896571505 1073351715 /nfs/dbraw/zinc/35/17/15/1073351715.db2.gz LBVAYBGZFWMAPJ-FZMZJTMJSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896571506 1073351593 /nfs/dbraw/zinc/35/15/93/1073351593.db2.gz LBVAYBGZFWMAPJ-RISCZKNCSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896571506 1073351584 /nfs/dbraw/zinc/35/15/84/1073351584.db2.gz LBVAYBGZFWMAPJ-RISCZKNCSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896571507 1073351070 /nfs/dbraw/zinc/35/10/70/1073351070.db2.gz LBVAYBGZFWMAPJ-SMDDNHRTSA-N 0 3 390.456 -0.006 20 0 GBADHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896571507 1073351063 /nfs/dbraw/zinc/35/10/63/1073351063.db2.gz LBVAYBGZFWMAPJ-SMDDNHRTSA-N 0 3 390.456 -0.006 20 0 GBADHN O=C(Cn1cc(NC(=O)C2CN(C3CCOCC3)C2)cn1)N1CCOCC1 ZINC000896621417 1073359582 /nfs/dbraw/zinc/35/95/82/1073359582.db2.gz FJZLXYIRSXQBQI-UHFFFAOYSA-N 0 3 377.445 -0.209 20 0 GBADHN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C)CCN(C)CC3)nc2)CC1 ZINC000897098007 1073482261 /nfs/dbraw/zinc/48/22/61/1073482261.db2.gz FMYXVCSZTQLVID-UHFFFAOYSA-N 0 3 396.561 -0.299 20 0 GBADHN CCN1CC[C@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000897405195 1073886118 /nfs/dbraw/zinc/88/61/18/1073886118.db2.gz VKECHNODGNPJPO-INIZCTEOSA-N 0 3 389.504 -0.685 20 0 GBADHN CCN1CC[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000897405196 1073886371 /nfs/dbraw/zinc/88/63/71/1073886371.db2.gz VKECHNODGNPJPO-MRXNPFEDSA-N 0 3 389.504 -0.685 20 0 GBADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000897463568 1073934884 /nfs/dbraw/zinc/93/48/84/1073934884.db2.gz HGDIZSIEFIQHML-INIZCTEOSA-N 0 3 379.505 -0.743 20 0 GBADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000897463569 1073935043 /nfs/dbraw/zinc/93/50/43/1073935043.db2.gz HGDIZSIEFIQHML-MRXNPFEDSA-N 0 3 379.505 -0.743 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897940260 637426275 /nfs/dbraw/zinc/42/62/75/637426275.db2.gz FFDLHUWRSHKJAV-CYBMUJFWSA-N 0 3 375.495 -0.827 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897940261 637426686 /nfs/dbraw/zinc/42/66/86/637426686.db2.gz FFDLHUWRSHKJAV-ZDUSSCGKSA-N 0 3 375.495 -0.827 20 0 GBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897950827 637427810 /nfs/dbraw/zinc/42/78/10/637427810.db2.gz UHEBMYCSDCSCQI-HNNXBMFYSA-N 0 3 375.539 -0.263 20 0 GBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897950828 637427247 /nfs/dbraw/zinc/42/72/47/637427247.db2.gz UHEBMYCSDCSCQI-OAHLLOKOSA-N 0 3 375.539 -0.263 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897951938 637427326 /nfs/dbraw/zinc/42/73/26/637427326.db2.gz CLJDMOLWXNODMR-UHFFFAOYSA-N 0 3 375.539 -0.309 20 0 GBADHN CN(C)CCN1CCN(C(=O)c2c[nH]nc2I)CC1=O ZINC000898269648 637428324 /nfs/dbraw/zinc/42/83/24/637428324.db2.gz KHJCHOVCPKJJSB-UHFFFAOYSA-N 0 3 391.213 -0.140 20 0 GBADHN CN1CCN(C)CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000899654516 637433627 /nfs/dbraw/zinc/43/36/27/637433627.db2.gz SUQCAXUPARNTGD-UHFFFAOYSA-N 0 3 385.559 -0.112 20 0 GBADHN CN(CCO)CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000899726009 637434727 /nfs/dbraw/zinc/43/47/27/637434727.db2.gz FHASVKNDHNWPDN-UHFFFAOYSA-N 0 3 394.291 -0.232 20 0 GBADHN CN(CCO)CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000899726355 637434759 /nfs/dbraw/zinc/43/47/59/637434759.db2.gz MBOHTUFVXZVIJW-UHFFFAOYSA-N 0 3 394.291 -0.232 20 0 GBADHN CN(CCO)CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000899729551 637434696 /nfs/dbraw/zinc/43/46/96/637434696.db2.gz JUCJTXCMABJQAI-UHFFFAOYSA-N 0 3 377.488 -0.577 20 0 GBADHN CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)N(C)C ZINC000900159410 638356595 /nfs/dbraw/zinc/35/65/95/638356595.db2.gz FZOZISSQEMJWBY-KFWWJZLASA-N 0 3 376.523 -0.175 20 0 GBADHN CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000900159411 638356277 /nfs/dbraw/zinc/35/62/77/638356277.db2.gz FZOZISSQEMJWBY-KKUMJFAQSA-N 0 3 376.523 -0.175 20 0 GBADHN CN(C)CCn1nccc1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000900613159 638360047 /nfs/dbraw/zinc/36/00/47/638360047.db2.gz AGFLINKOQGRVBW-UHFFFAOYSA-N 0 3 375.520 -0.447 20 0 GBADHN CN(C)CCCN(C(=O)C[C@]1(O)CCCN(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900981551 638363352 /nfs/dbraw/zinc/36/33/52/638363352.db2.gz TWGCDOBFXODPIS-DOTOQJQBSA-N 0 3 375.535 -0.199 20 0 GBADHN CN(C)CCCN(C(=O)C[C@]1(O)CCCN(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900981583 638363182 /nfs/dbraw/zinc/36/31/82/638363182.db2.gz TWGCDOBFXODPIS-NVXWUHKLSA-N 0 3 375.535 -0.199 20 0 GBADHN CN(C)CCCN(C(=O)C[C@@]1(O)CCCN(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900981586 638363049 /nfs/dbraw/zinc/36/30/49/638363049.db2.gz TWGCDOBFXODPIS-RDJZCZTQSA-N 0 3 375.535 -0.199 20 0 GBADHN CN(C)CCCN(C(=O)C[C@@]1(O)CCCN(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900981588 638362984 /nfs/dbraw/zinc/36/29/84/638362984.db2.gz TWGCDOBFXODPIS-WBVHZDCISA-N 0 3 375.535 -0.199 20 0 GBADHN CN(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CNCCS2(=O)=O)cc1 ZINC000903539519 637436805 /nfs/dbraw/zinc/43/68/05/637436805.db2.gz JIGHLTYRVVDTJS-HNNXBMFYSA-N 0 3 375.516 -0.197 20 0 GBADHN CN(C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903539520 637436992 /nfs/dbraw/zinc/43/69/92/637436992.db2.gz JIGHLTYRVVDTJS-OAHLLOKOSA-N 0 3 375.516 -0.197 20 0 GBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCNCCC12CCOCC2 ZINC000903549000 637436895 /nfs/dbraw/zinc/43/68/95/637436895.db2.gz AZWFWZRWXDKWEO-UHFFFAOYSA-N 0 3 383.536 -0.558 20 0 GBADHN COCCOCCOCCS(=O)(=O)N1CCNCCC12CCOCC2 ZINC000903549606 637436923 /nfs/dbraw/zinc/43/69/23/637436923.db2.gz MNKGUEBPVRPUFJ-UHFFFAOYSA-N 0 3 380.507 -0.160 20 0 GBADHN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCNCCC23CCOCC3)C1 ZINC000903550096 637436977 /nfs/dbraw/zinc/43/69/77/637436977.db2.gz NTOPXPXIMYCWOD-AWEZNQCLSA-N 0 3 395.547 -0.558 20 0 GBADHN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCNCCC23CCOCC3)C1 ZINC000903550097 637436788 /nfs/dbraw/zinc/43/67/88/637436788.db2.gz NTOPXPXIMYCWOD-CQSZACIVSA-N 0 3 395.547 -0.558 20 0 GBADHN O=S(=O)(N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)N1CCNCC1 ZINC000903599297 637437742 /nfs/dbraw/zinc/43/77/42/637437742.db2.gz ZIIBUCJYJRTNLP-GHMZBOCLSA-N 0 3 391.437 -0.422 20 0 GBADHN CN(CCNC[C@H](O)C[C@]1(O)CCOC1)S(=O)(=O)c1ccc(F)cc1 ZINC000905242914 637439126 /nfs/dbraw/zinc/43/91/26/637439126.db2.gz FTYZQMUDOZGASH-GDBMZVCRSA-N 0 3 376.450 -0.062 20 0 GBADHN 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Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970600 1072637257 /nfs/dbraw/zinc/63/72/57/1072637257.db2.gz POUSGZVYSWDTFC-DTZQCDIJSA-N 0 3 391.472 -0.549 20 0 GBADHN Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970600 1072637252 /nfs/dbraw/zinc/63/72/52/1072637252.db2.gz POUSGZVYSWDTFC-DTZQCDIJSA-N 0 3 391.472 -0.549 20 0 GBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2O)CC[N@H+]1C ZINC001023979349 1072638796 /nfs/dbraw/zinc/63/87/96/1072638796.db2.gz VTAOUHQFIRUTCO-REWJHTLYSA-N 0 3 377.445 -0.478 20 0 GBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023979349 1072638790 /nfs/dbraw/zinc/63/87/90/1072638790.db2.gz VTAOUHQFIRUTCO-REWJHTLYSA-N 0 3 377.445 -0.478 20 0 GBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001024128244 1072662177 /nfs/dbraw/zinc/66/21/77/1072662177.db2.gz HDMYGACUAKVTAY-LIRZEXBASA-N 0 3 391.468 -0.146 20 0 GBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001024132129 1072663368 /nfs/dbraw/zinc/66/33/68/1072663368.db2.gz QTFITECJIARABP-LIRZEXBASA-N 0 3 391.468 -0.146 20 0 GBADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)CC[N@H+]1C ZINC001024205635 1072705098 /nfs/dbraw/zinc/70/50/98/1072705098.db2.gz CPZSMBGAXVSWFY-PZTHBURQSA-N 0 3 389.456 -0.299 20 0 GBADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)CC[N@@H+]1C ZINC001024205635 1072705090 /nfs/dbraw/zinc/70/50/90/1072705090.db2.gz CPZSMBGAXVSWFY-PZTHBURQSA-N 0 3 389.456 -0.299 20 0 GBADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001024364579 1072723651 /nfs/dbraw/zinc/72/36/51/1072723651.db2.gz XRXFJLCOVSIDAB-JJXSEGSLSA-N 0 3 383.489 -0.257 20 0 GBADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1O ZINC001024366485 1072728972 /nfs/dbraw/zinc/72/89/72/1072728972.db2.gz 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STIPMZKYEZBXGI-XEQNPHJVSA-N 0 3 381.396 -0.214 20 0 GBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@H]2O)O1 ZINC001024386806 1072732403 /nfs/dbraw/zinc/73/24/03/1072732403.db2.gz ADYBPZAYBBVABP-ODVANORSSA-N 0 3 391.472 -0.832 20 0 GBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]2O)O1 ZINC001024386814 1072732334 /nfs/dbraw/zinc/73/23/34/1072732334.db2.gz AJAODEMATORTOC-AAVRWANBSA-N 0 3 379.461 -0.906 20 0 GBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH]cnc43)C[C@H]2O)O1 ZINC001024386853 1072732271 /nfs/dbraw/zinc/73/22/71/1072732271.db2.gz BWDJWUHUSGSGFU-RAEVTNRLSA-N 0 3 387.440 -0.417 20 0 GBADHN CC1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 ZINC001024386951 1072733915 /nfs/dbraw/zinc/73/39/15/1072733915.db2.gz GCTCMNSCTRUQNS-QBPKDAKJSA-N 0 3 382.505 -0.875 20 0 GBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@H]2O)O1 ZINC001024387320 1072734979 /nfs/dbraw/zinc/73/49/79/1072734979.db2.gz 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NC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCCC1 ZINC001270421621 1072924255 /nfs/dbraw/zinc/92/42/55/1072924255.db2.gz GOZVPJMVHHTUTR-RZLSGREXSA-N 0 3 382.461 -0.503 20 0 GBADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCCC1 ZINC001270421622 1072924169 /nfs/dbraw/zinc/92/41/69/1072924169.db2.gz GOZVPJMVHHTUTR-TTZDDIAXSA-N 0 3 382.461 -0.503 20 0 GBADHN CSCC(=O)N1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001270422469 1072924395 /nfs/dbraw/zinc/92/43/95/1072924395.db2.gz CVOROMHNDVHSHK-GOSISDBHSA-N 0 3 384.546 -0.183 20 0 GBADHN CSCC(=O)N1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001270422471 1072923981 /nfs/dbraw/zinc/92/39/81/1072923981.db2.gz CVOROMHNDVHSHK-SFHVURJKSA-N 0 3 384.546 -0.183 20 0 GBADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2 ZINC001270430260 1072925859 /nfs/dbraw/zinc/92/58/59/1072925859.db2.gz FJNPXRRIIRCOFL-CABCVRRESA-N 0 3 381.395 -0.061 20 0 GBADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2 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CN(C)CCN1CC2(CN(C(=O)CNC(=O)c3cccs3)C2)OCC1=O ZINC001271178579 1073380493 /nfs/dbraw/zinc/38/04/93/1073380493.db2.gz ZOGYVSGJZIMWCS-UHFFFAOYSA-N 0 3 380.470 -0.521 20 0 GBADHN Cc1nnc(SCC(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)s1 ZINC001271224074 1073412172 /nfs/dbraw/zinc/41/21/72/1073412172.db2.gz DSNDDFIMNIBCCK-UHFFFAOYSA-N 0 3 385.515 -0.060 20 0 GBADHN Cc1nnc(SCC(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271224958 1073412260 /nfs/dbraw/zinc/41/22/60/1073412260.db2.gz OIHNRPQNNUHEGL-UHFFFAOYSA-N 0 3 385.515 -0.060 20 0 GBADHN CN1CCC(NC(=O)c2nnc3n2CCN(C(=O)c2csnn2)C3)CC1 ZINC001271231164 1073414063 /nfs/dbraw/zinc/41/40/63/1073414063.db2.gz OAYTUJBPGMCYBR-UHFFFAOYSA-N 0 3 376.446 -0.390 20 0 GBADHN CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N1CCNC(=O)C1 ZINC001271870039 1073629475 /nfs/dbraw/zinc/62/94/75/1073629475.db2.gz VFECAPGTRUAUQC-ITCTVVDESA-N 0 3 378.473 -0.901 20 0 GBADHN CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N1CCNC(=O)C1 ZINC001271870040 1073629100 /nfs/dbraw/zinc/62/91/00/1073629100.db2.gz VFECAPGTRUAUQC-SCQTYWGTSA-N 0 3 378.473 -0.901 20 0 GBADHN CC(C)NC(=S)N1CC2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001279107365 1072434142 /nfs/dbraw/zinc/43/41/42/1072434142.db2.gz LTJTWQVSZIYNDW-UHFFFAOYSA-N 0 3 383.562 -0.180 20 0 GBADHN CN(C)CCN1C(=O)COCC12CN(C(=S)NCCC[S@](C)=O)C2 ZINC001279141030 1073404525 /nfs/dbraw/zinc/40/45/25/1073404525.db2.gz AUSGYQDZNJGDND-DEOSSOPVSA-N 0 3 376.548 -0.896 20 0 GBADHN CN(C)CCN1C(=O)COCC12CN(C(=S)NCCC[S@@](C)=O)C2 ZINC001279141031 1073404568 /nfs/dbraw/zinc/40/45/68/1073404568.db2.gz AUSGYQDZNJGDND-XMMPIXPASA-N 0 3 376.548 -0.896 20 0 GBADHN CN(C)CCN1C[C@@]2(CCN(C(=S)NCCC[S@](C)=O)C2)OCC1=O ZINC001279141165 1073407825 /nfs/dbraw/zinc/40/78/25/1073407825.db2.gz CYCBYZLSWHNHPV-CPJLOUKISA-N 0 3 390.575 -0.506 20 0 GBADHN CN(C)CCN1C[C@]2(CCN(C(=S)NCCC[S@@](C)=O)C2)OCC1=O ZINC001279141170 1073407863 /nfs/dbraw/zinc/40/78/63/1073407863.db2.gz CYCBYZLSWHNHPV-IVCQMTBJSA-N 0 3 390.575 -0.506 20 0 GBADHN CN(C)CCN1C[C@]2(CCN(C(=S)NCCC[S@](C)=O)C2)OCC1=O ZINC001279141182 1073407747 /nfs/dbraw/zinc/40/77/47/1073407747.db2.gz CYCBYZLSWHNHPV-LMKMVOKYSA-N 0 3 390.575 -0.506 20 0 GBADHN CN(C)CCN1C[C@@]2(CCN(C(=S)NCCC[S@@](C)=O)C2)OCC1=O ZINC001279141195 1073407525 /nfs/dbraw/zinc/40/75/25/1073407525.db2.gz CYCBYZLSWHNHPV-PUAOIOHZSA-N 0 3 390.575 -0.506 20 0 GBADHN CN(C)CCN1C[C@@]2(F)CN(C(=S)NCCC[S@@](C)=O)C[C@@]2(F)C1=O ZINC001279142453 1073438918 /nfs/dbraw/zinc/43/89/18/1073438918.db2.gz UMNGKJZQNZNPHG-KDCSIKNMSA-N 0 3 396.529 -0.235 20 0 GBADHN CN(C)CCN1C[C@@]2(F)CN(C(=S)NCCC[S@](C)=O)C[C@@]2(F)C1=O ZINC001279142454 1073438551 /nfs/dbraw/zinc/43/85/51/1073438551.db2.gz UMNGKJZQNZNPHG-XGZNKIABSA-N 0 3 396.529 -0.235 20 0 GBADHN CN(C)CCN1CC2(CN(C(=S)NCCCC[S@@](C)=O)C2)OCC1=O ZINC001279142504 1073442463 /nfs/dbraw/zinc/44/24/63/1073442463.db2.gz VYSLWPIAWGLIBE-RUZDIDTESA-N 0 3 390.575 -0.506 20 0 GBADHN CN1CCN(CCCN2CC3(CN(S(=O)(=O)C(F)F)C3)OCC2=O)CC1 ZINC001279210637 1073638255 /nfs/dbraw/zinc/63/82/55/1073638255.db2.gz MKNBGCSXVBHETE-UHFFFAOYSA-N 0 3 396.460 -0.911 20 0 GBADHN CN1CCN(CCCN2CC[C@]3(CCCN(S(N)(=O)=O)CC3)C2=O)CC1 ZINC001279219669 1072441020 /nfs/dbraw/zinc/44/10/20/1072441020.db2.gz HAKFZCIMJPACAK-KRWDZBQOSA-N 0 3 387.550 -0.468 20 0 GBADHN CN1CCN(CCCN2CC[C@@]3(CCCN(S(N)(=O)=O)CC3)C2=O)CC1 ZINC001279219670 1072440991 /nfs/dbraw/zinc/44/09/91/1072440991.db2.gz HAKFZCIMJPACAK-QGZVFWFLSA-N 0 3 387.550 -0.468 20 0 GBADHN CN1CCN(CCCN2CC3(CCC2=O)CCN(S(N)(=O)=O)CC3)CC1 ZINC001279220569 1072458431 /nfs/dbraw/zinc/45/84/31/1072458431.db2.gz WKSOUYIFULXQTQ-UHFFFAOYSA-N 0 3 387.550 -0.468 20 0 GBADHN Cc1nc(S(=O)(=O)N2C[C@]3(F)CN(CCN(C)C)C(=O)[C@]3(F)C2)cn1C ZINC001279246570 1073347359 /nfs/dbraw/zinc/34/73/59/1073347359.db2.gz DXBNEVNGRGQMON-HUUCEWRRSA-N 0 3 391.444 -0.447 20 0 GBADHN CN(C)CCSc1nc(CC(=O)N2CCN(CC(N)=O)C(=O)C2)cs1 ZINC001299185791 1073896364 /nfs/dbraw/zinc/89/63/64/1073896364.db2.gz HXTPZHWTVHHFTH-UHFFFAOYSA-N 0 3 385.515 -0.505 20 0 GBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CC1 ZINC001299197870 1073942777 /nfs/dbraw/zinc/94/27/77/1073942777.db2.gz JCLRTDZRAOXIGO-UHFFFAOYSA-N 0 3 375.539 -0.599 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001329790514 957706027 /nfs/dbraw/zinc/70/60/27/957706027.db2.gz GVRPJTMSYLJSJF-UHFFFAOYSA-N 0 3 383.493 -0.269 20 0 GBADHN C[NH+]1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)(N2CCOCC2)CC1 ZINC001469011423 948533148 /nfs/dbraw/zinc/53/31/48/948533148.db2.gz XCZYKJHTZSHZNS-UHFFFAOYSA-N 0 3 386.460 -0.212 20 0 GBADHN C[NH+]1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)(N2CCOCC2)CC1 ZINC001469011423 948533143 /nfs/dbraw/zinc/53/31/43/948533143.db2.gz XCZYKJHTZSHZNS-UHFFFAOYSA-N 0 3 386.460 -0.212 20 0 GBADHN O=C(NCCN(C[C@H](O)Cn1cccn1)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481178666 1073145456 /nfs/dbraw/zinc/14/54/56/1073145456.db2.gz AXQWHVNNUBQGAJ-LEUOFYLZSA-N 0 3 378.473 -0.124 20 0 GBADHN O=C(NCCN(C[C@@H](O)Cn1cccn1)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481178667 1073145715 /nfs/dbraw/zinc/14/57/15/1073145715.db2.gz AXQWHVNNUBQGAJ-XOYOTBSWSA-N 0 3 378.473 -0.124 20 0 GBADHN CN(CCNCC(=O)N(C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481258700 1073284210 /nfs/dbraw/zinc/28/42/10/1073284210.db2.gz AUXAFKWXKBLKRU-OCABDXPQSA-N 0 3 375.473 -0.150 20 0 GBADHN C[C@H](NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NC(=O)NC1CC1 ZINC001481261216 1073285734 /nfs/dbraw/zinc/28/57/34/1073285734.db2.gz JPNNOUZSMRSNPV-NZBPQXDJSA-N 0 3 382.461 -0.537 20 0 GBADHN C[C@@H](NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NC(=O)NC1CC1 ZINC001481261219 1073285507 /nfs/dbraw/zinc/28/55/07/1073285507.db2.gz JPNNOUZSMRSNPV-PAPYEOQZSA-N 0 3 382.461 -0.537 20 0 GBADHN CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N1CCN(C(C)=O)CC1 ZINC001481833598 1073848463 /nfs/dbraw/zinc/84/84/63/1073848463.db2.gz ATGNYSQXCWUZJV-FWCYYJLNSA-N 0 3 392.500 -0.415 20 0 GBADHN CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N1CCN(C(C)=O)CC1 ZINC001481833599 1073849182 /nfs/dbraw/zinc/84/91/82/1073849182.db2.gz ATGNYSQXCWUZJV-PITCONLNSA-N 0 3 392.500 -0.415 20 0 GBADHN CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n(C)c(=O)n1C ZINC001481834003 1073848944 /nfs/dbraw/zinc/84/89/44/1073848944.db2.gz DOIMEJJYRRHCKJ-SSLCOKDMSA-N 0 3 376.457 -0.508 20 0 GBADHN CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n(C)c(=O)n1C ZINC001481834008 1073848777 /nfs/dbraw/zinc/84/87/77/1073848777.db2.gz DOIMEJJYRRHCKJ-UFZZPABASA-N 0 3 376.457 -0.508 20 0 GBADHN CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n(C)c(=O)n1C ZINC001481835184 1073849644 /nfs/dbraw/zinc/84/96/44/1073849644.db2.gz NYYIGZLGAYNPKE-GZIXRCOHSA-N 0 3 378.473 -0.117 20 0 GBADHN CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n(C)c(=O)n1C ZINC001481835188 1073850170 /nfs/dbraw/zinc/85/01/70/1073850170.db2.gz NYYIGZLGAYNPKE-UICACZKSSA-N 0 3 378.473 -0.117 20 0 GBADHN CC(=O)N1CCN(C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001482333111 1073097221 /nfs/dbraw/zinc/09/72/21/1073097221.db2.gz BLFZWSUKMALYQY-DZUCGIPZSA-N 0 3 380.489 -0.319 20 0 GBADHN CC(=O)N1CCN(C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001482333112 1073098099 /nfs/dbraw/zinc/09/80/99/1073098099.db2.gz BLFZWSUKMALYQY-SVGFKBNWSA-N 0 3 380.489 -0.319 20 0 GBADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1COC(=O)N1 ZINC001571114567 952457240 /nfs/dbraw/zinc/45/72/40/952457240.db2.gz LFQGNKSFFZAXBO-GIPNMCIBSA-N 0 3 375.364 -0.149 20 0 GBADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1COC(=O)N1 ZINC001571114567 952457236 /nfs/dbraw/zinc/45/72/36/952457236.db2.gz LFQGNKSFFZAXBO-GIPNMCIBSA-N 0 3 375.364 -0.149 20 0 GBADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571114568 952457414 /nfs/dbraw/zinc/45/74/14/952457414.db2.gz LFQGNKSFFZAXBO-KWBADKCTSA-N 0 3 375.364 -0.149 20 0 GBADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571114568 952457409 /nfs/dbraw/zinc/45/74/09/952457409.db2.gz LFQGNKSFFZAXBO-KWBADKCTSA-N 0 3 375.364 -0.149 20 0 GBADHN O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571115048 952463137 /nfs/dbraw/zinc/46/31/37/952463137.db2.gz QUHWKXRLNFPNMO-GWCFXTLKSA-N 0 3 375.364 -0.195 20 0 GBADHN O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571115049 952462635 /nfs/dbraw/zinc/46/26/35/952462635.db2.gz QUHWKXRLNFPNMO-GXFFZTMASA-N 0 3 375.364 -0.195 20 0 GBADHN O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571115050 952462445 /nfs/dbraw/zinc/46/24/45/952462445.db2.gz QUHWKXRLNFPNMO-MFKMUULPSA-N 0 3 375.364 -0.195 20 0 GBADHN O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571115051 952463118 /nfs/dbraw/zinc/46/31/18/952463118.db2.gz QUHWKXRLNFPNMO-ZWNOBZJWSA-N 0 3 375.364 -0.195 20 0 GBADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)C1CS(=O)(=O)C1 ZINC001571122771 952526877 /nfs/dbraw/zinc/52/68/77/952526877.db2.gz KHSFLWITZOSUST-OKILXGFUSA-N 0 3 376.442 -0.352 20 0 GBADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)C1CS(=O)(=O)C1 ZINC001571122771 952526871 /nfs/dbraw/zinc/52/68/71/952526871.db2.gz KHSFLWITZOSUST-OKILXGFUSA-N 0 3 376.442 -0.352 20 0 GBADHN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571141576 952633641 /nfs/dbraw/zinc/63/36/41/952633641.db2.gz IMSSEKTWCOYRQO-DGCLKSJQSA-N 0 3 378.458 -0.010 20 0 GBADHN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571141577 952633562 /nfs/dbraw/zinc/63/35/62/952633562.db2.gz IMSSEKTWCOYRQO-WCQYABFASA-N 0 3 378.458 -0.010 20 0 GBADHN CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571142558 952642816 /nfs/dbraw/zinc/64/28/16/952642816.db2.gz UJLRFESSTMCSAN-UHFFFAOYSA-N 0 3 378.462 -0.728 20 0 GBADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001571151381 952674912 /nfs/dbraw/zinc/67/49/12/952674912.db2.gz PPTNULZRYFNTCL-JQWIXIFHSA-N 0 3 379.446 -0.566 20 0 GBADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001571151381 952674909 /nfs/dbraw/zinc/67/49/09/952674909.db2.gz PPTNULZRYFNTCL-JQWIXIFHSA-N 0 3 379.446 -0.566 20 0 GBADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001571151383 952674853 /nfs/dbraw/zinc/67/48/53/952674853.db2.gz PPTNULZRYFNTCL-PWSUYJOCSA-N 0 3 379.446 -0.566 20 0 GBADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001571151383 952674849 /nfs/dbraw/zinc/67/48/49/952674849.db2.gz PPTNULZRYFNTCL-PWSUYJOCSA-N 0 3 379.446 -0.566 20 0 GBADHN Cn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cc1=O ZINC001571160295 952725361 /nfs/dbraw/zinc/72/53/61/952725361.db2.gz GUNCBLKKGJSYJP-AWEZNQCLSA-N 0 3 380.412 -0.035 20 0 GBADHN Cn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cc1=O ZINC001571160295 952725360 /nfs/dbraw/zinc/72/53/60/952725360.db2.gz GUNCBLKKGJSYJP-AWEZNQCLSA-N 0 3 380.412 -0.035 20 0 GBADHN Cn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cc1=O ZINC001571160297 952725383 /nfs/dbraw/zinc/72/53/83/952725383.db2.gz GUNCBLKKGJSYJP-CQSZACIVSA-N 0 3 380.412 -0.035 20 0 GBADHN Cn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cc1=O ZINC001571160297 952725381 /nfs/dbraw/zinc/72/53/81/952725381.db2.gz GUNCBLKKGJSYJP-CQSZACIVSA-N 0 3 380.412 -0.035 20 0 GBADHN O=C(Cn1cnnn1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571165122 952747561 /nfs/dbraw/zinc/74/75/61/952747561.db2.gz CLOVMQZLFFLRTJ-UHFFFAOYSA-N 0 3 380.416 -0.412 20 0 GBADHN O=C(Cn1cnnn1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571165122 952747555 /nfs/dbraw/zinc/74/75/55/952747555.db2.gz CLOVMQZLFFLRTJ-UHFFFAOYSA-N 0 3 380.416 -0.412 20 0 GBADHN O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571165192 952748631 /nfs/dbraw/zinc/74/86/31/952748631.db2.gz FKOHCNWJJGAIBI-FJJYHAOUSA-N 0 3 380.416 -0.366 20 0 GBADHN O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571165192 952748625 /nfs/dbraw/zinc/74/86/25/952748625.db2.gz FKOHCNWJJGAIBI-FJJYHAOUSA-N 0 3 380.416 -0.366 20 0 GBADHN O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571165193 952748071 /nfs/dbraw/zinc/74/80/71/952748071.db2.gz FKOHCNWJJGAIBI-UUIJZJDISA-N 0 3 380.416 -0.366 20 0 GBADHN O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571165193 952748067 /nfs/dbraw/zinc/74/80/67/952748067.db2.gz FKOHCNWJJGAIBI-UUIJZJDISA-N 0 3 380.416 -0.366 20 0 GBADHN Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@@H]3C2)n1 ZINC001571166942 952767822 /nfs/dbraw/zinc/76/78/22/952767822.db2.gz YWKGEFFPVAUDNF-BETUJISGSA-N 0 3 380.416 -0.406 20 0 GBADHN Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@@H]3C2)n1 ZINC001571166942 952767820 /nfs/dbraw/zinc/76/78/20/952767820.db2.gz YWKGEFFPVAUDNF-BETUJISGSA-N 0 3 380.416 -0.406 20 0 GBADHN Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@@H]3C2)n1 ZINC001571166942 952767816 /nfs/dbraw/zinc/76/78/16/952767816.db2.gz YWKGEFFPVAUDNF-BETUJISGSA-N 0 3 380.416 -0.406 20 0 GBADHN Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@@H]3C2)n1 ZINC001571166942 952767813 /nfs/dbraw/zinc/76/78/13/952767813.db2.gz YWKGEFFPVAUDNF-BETUJISGSA-N 0 3 380.416 -0.406 20 0 GBADHN O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571166959 952768143 /nfs/dbraw/zinc/76/81/43/952768143.db2.gz ZFWPYACQVNEIBU-OKILXGFUSA-N 0 3 380.416 -0.556 20 0 GBADHN O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571166959 952768141 /nfs/dbraw/zinc/76/81/41/952768141.db2.gz ZFWPYACQVNEIBU-OKILXGFUSA-N 0 3 380.416 -0.556 20 0 GBADHN O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571166959 952768139 /nfs/dbraw/zinc/76/81/39/952768139.db2.gz ZFWPYACQVNEIBU-OKILXGFUSA-N 0 3 380.416 -0.556 20 0 GBADHN O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571166959 952768136 /nfs/dbraw/zinc/76/81/36/952768136.db2.gz ZFWPYACQVNEIBU-OKILXGFUSA-N 0 3 380.416 -0.556 20 0 GBADHN CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)CC1=O ZINC001571183233 952875613 /nfs/dbraw/zinc/87/56/13/952875613.db2.gz UBBJZMBVYKSTTB-AIANPOQGSA-N 0 3 381.440 -0.109 20 0 GBADHN CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)CC1=O ZINC001571183233 952875610 /nfs/dbraw/zinc/87/56/10/952875610.db2.gz UBBJZMBVYKSTTB-AIANPOQGSA-N 0 3 381.440 -0.109 20 0 GBADHN CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)CC1=O ZINC001571183234 952875704 /nfs/dbraw/zinc/87/57/04/952875704.db2.gz UBBJZMBVYKSTTB-LJIGWXMPSA-N 0 3 381.440 -0.109 20 0 GBADHN CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)CC1=O ZINC001571183234 952875703 /nfs/dbraw/zinc/87/57/03/952875703.db2.gz UBBJZMBVYKSTTB-LJIGWXMPSA-N 0 3 381.440 -0.109 20 0 GBADHN O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001571189789 952934583 /nfs/dbraw/zinc/93/45/83/952934583.db2.gz UZCCIVTWARZWFV-JYAVWHMHSA-N 0 3 381.444 -0.164 20 0 GBADHN Cc1cncn1CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571200183 953007332 /nfs/dbraw/zinc/00/73/32/953007332.db2.gz BOTRHGVAJNDORV-CVEARBPZSA-N 0 3 382.428 -0.267 20 0 GBADHN Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n(C)c1=O ZINC001571204592 953030218 /nfs/dbraw/zinc/03/02/18/953030218.db2.gz AJSLWLKWQOICIE-ZDUSSCGKSA-N 0 3 382.428 -0.092 20 0 GBADHN Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n(C)c1=O ZINC001571204592 953030214 /nfs/dbraw/zinc/03/02/14/953030214.db2.gz AJSLWLKWQOICIE-ZDUSSCGKSA-N 0 3 382.428 -0.092 20 0 GBADHN Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n(C)c1=O ZINC001571204708 953032777 /nfs/dbraw/zinc/03/27/77/953032777.db2.gz CIFLLKXSMGEREL-HDJSIYSDSA-N 0 3 382.428 -0.046 20 0 GBADHN Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n(C)c1=O ZINC001571204708 953032775 /nfs/dbraw/zinc/03/27/75/953032775.db2.gz CIFLLKXSMGEREL-HDJSIYSDSA-N 0 3 382.428 -0.046 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571205206 953036969 /nfs/dbraw/zinc/03/69/69/953036969.db2.gz HNRDMHBRJIJWKJ-AAEUAGOBSA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571205206 953036966 /nfs/dbraw/zinc/03/69/66/953036966.db2.gz HNRDMHBRJIJWKJ-AAEUAGOBSA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571205207 953037307 /nfs/dbraw/zinc/03/73/07/953037307.db2.gz HNRDMHBRJIJWKJ-DGCLKSJQSA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571205207 953037303 /nfs/dbraw/zinc/03/73/03/953037303.db2.gz HNRDMHBRJIJWKJ-DGCLKSJQSA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571205208 953037120 /nfs/dbraw/zinc/03/71/20/953037120.db2.gz HNRDMHBRJIJWKJ-WCQYABFASA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571205208 953037119 /nfs/dbraw/zinc/03/71/19/953037119.db2.gz HNRDMHBRJIJWKJ-WCQYABFASA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571205209 953037274 /nfs/dbraw/zinc/03/72/74/953037274.db2.gz HNRDMHBRJIJWKJ-YPMHNXCESA-N 0 3 382.432 -0.112 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571205209 953037272 /nfs/dbraw/zinc/03/72/72/953037272.db2.gz HNRDMHBRJIJWKJ-YPMHNXCESA-N 0 3 382.432 -0.112 20 0 GBADHN Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n(C)c1=O ZINC001571205386 953037828 /nfs/dbraw/zinc/03/78/28/953037828.db2.gz IRVFERKCWHJVBC-AWEZNQCLSA-N 0 3 382.428 -0.092 20 0 GBADHN Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n(C)c1=O ZINC001571205386 953037823 /nfs/dbraw/zinc/03/78/23/953037823.db2.gz IRVFERKCWHJVBC-AWEZNQCLSA-N 0 3 382.428 -0.092 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571206003 953045688 /nfs/dbraw/zinc/04/56/88/953045688.db2.gz QRNNHMXMOSGAOZ-AWEZNQCLSA-N 0 3 382.432 -0.120 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571206003 953045686 /nfs/dbraw/zinc/04/56/86/953045686.db2.gz QRNNHMXMOSGAOZ-AWEZNQCLSA-N 0 3 382.432 -0.120 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571206004 953045650 /nfs/dbraw/zinc/04/56/50/953045650.db2.gz QRNNHMXMOSGAOZ-CQSZACIVSA-N 0 3 382.432 -0.120 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571206004 953045648 /nfs/dbraw/zinc/04/56/48/953045648.db2.gz QRNNHMXMOSGAOZ-CQSZACIVSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571206602 953053211 /nfs/dbraw/zinc/05/32/11/953053211.db2.gz VPZOCRYAQYWCGX-DOMZBBRYSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571206602 953053209 /nfs/dbraw/zinc/05/32/09/953053209.db2.gz VPZOCRYAQYWCGX-DOMZBBRYSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571206607 953052964 /nfs/dbraw/zinc/05/29/64/953052964.db2.gz VPZOCRYAQYWCGX-IUODEOHRSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571206607 953052960 /nfs/dbraw/zinc/05/29/60/953052960.db2.gz VPZOCRYAQYWCGX-IUODEOHRSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571206611 953053219 /nfs/dbraw/zinc/05/32/19/953053219.db2.gz VPZOCRYAQYWCGX-SWLSCSKDSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571206611 953053218 /nfs/dbraw/zinc/05/32/18/953053218.db2.gz VPZOCRYAQYWCGX-SWLSCSKDSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571206616 953053020 /nfs/dbraw/zinc/05/30/20/953053020.db2.gz VPZOCRYAQYWCGX-WFASDCNBSA-N 0 3 382.432 -0.120 20 0 GBADHN C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571206616 953053015 /nfs/dbraw/zinc/05/30/15/953053015.db2.gz VPZOCRYAQYWCGX-WFASDCNBSA-N 0 3 382.432 -0.120 20 0 GBADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571206702 953054146 /nfs/dbraw/zinc/05/41/46/953054146.db2.gz JLPZMSXNUYJWOV-UHFFFAOYSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571206702 953054143 /nfs/dbraw/zinc/05/41/43/953054143.db2.gz JLPZMSXNUYJWOV-UHFFFAOYSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571206702 953054141 /nfs/dbraw/zinc/05/41/41/953054141.db2.gz JLPZMSXNUYJWOV-UHFFFAOYSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571206702 953054139 /nfs/dbraw/zinc/05/41/39/953054139.db2.gz JLPZMSXNUYJWOV-UHFFFAOYSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571206850 953056678 /nfs/dbraw/zinc/05/66/78/953056678.db2.gz LKRSVZAAWWQKCK-HNNXBMFYSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571206850 953056675 /nfs/dbraw/zinc/05/66/75/953056675.db2.gz LKRSVZAAWWQKCK-HNNXBMFYSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571206852 953056630 /nfs/dbraw/zinc/05/66/30/953056630.db2.gz LKRSVZAAWWQKCK-OAHLLOKOSA-N 0 3 382.432 -0.024 20 0 GBADHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571206852 953056626 /nfs/dbraw/zinc/05/66/26/953056626.db2.gz LKRSVZAAWWQKCK-OAHLLOKOSA-N 0 3 382.432 -0.024 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571207011 953057921 /nfs/dbraw/zinc/05/79/21/953057921.db2.gz ZSTIYACSQUUPIZ-AWEZNQCLSA-N 0 3 382.432 -0.120 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571207011 953057917 /nfs/dbraw/zinc/05/79/17/953057917.db2.gz ZSTIYACSQUUPIZ-AWEZNQCLSA-N 0 3 382.432 -0.120 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571207012 953058536 /nfs/dbraw/zinc/05/85/36/953058536.db2.gz ZSTIYACSQUUPIZ-CQSZACIVSA-N 0 3 382.432 -0.120 20 0 GBADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571207012 953058533 /nfs/dbraw/zinc/05/85/33/953058533.db2.gz ZSTIYACSQUUPIZ-CQSZACIVSA-N 0 3 382.432 -0.120 20 0 GBADHN O=C(Cn1ncnn1)N1CCC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571210352 953071579 /nfs/dbraw/zinc/07/15/79/953071579.db2.gz PPUFFMBXSFNCEV-UHFFFAOYSA-N 0 3 382.432 -0.118 20 0 GBADHN O=C(Cn1ncnn1)N1CCC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571210352 953071574 /nfs/dbraw/zinc/07/15/74/953071574.db2.gz PPUFFMBXSFNCEV-UHFFFAOYSA-N 0 3 382.432 -0.118 20 0 GBADHN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001571222593 953136939 /nfs/dbraw/zinc/13/69/39/953136939.db2.gz HSHWWJQKOMWAGG-UKRRQHHQSA-N 0 3 383.416 -0.144 20 0 GBADHN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001571223251 953143117 /nfs/dbraw/zinc/14/31/17/953143117.db2.gz RTHXVFORWOKQQE-UKRRQHHQSA-N 0 3 383.416 -0.213 20 0 GBADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cncn3)C2)cc1-c1nn[n-]n1 ZINC001571223304 953143497 /nfs/dbraw/zinc/14/34/97/953143497.db2.gz SQLZZUNSLJXTFV-ZDUSSCGKSA-N 0 3 383.416 -0.143 20 0 GBADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cncn3)C2)cc1-c1nnn[n-]1 ZINC001571223304 953143494 /nfs/dbraw/zinc/14/34/94/953143494.db2.gz SQLZZUNSLJXTFV-ZDUSSCGKSA-N 0 3 383.416 -0.143 20 0 GBADHN Cc1cc(NC[C@@H]2CN(C(=O)Cc3cc[nH]n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571224911 953151275 /nfs/dbraw/zinc/15/12/75/953151275.db2.gz GJXRNKTURZTUFB-CYBMUJFWSA-N 0 3 383.416 -0.403 20 0 GBADHN Cc1cc(NC[C@H]2CN(C(=O)Cc3cc[nH]n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571224912 953151166 /nfs/dbraw/zinc/15/11/66/953151166.db2.gz GJXRNKTURZTUFB-ZDUSSCGKSA-N 0 3 383.416 -0.403 20 0 GBADHN Cc1nc[nH]c1C(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571226986 953157456 /nfs/dbraw/zinc/15/74/56/953157456.db2.gz YHGYYVABRNATBL-GFCCVEGCSA-N 0 3 383.416 -0.023 20 0 GBADHN Cc1nc[nH]c1C(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571226987 953157449 /nfs/dbraw/zinc/15/74/49/953157449.db2.gz YHGYYVABRNATBL-LBPRGKRZSA-N 0 3 383.416 -0.023 20 0 GBADHN Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1=O ZINC001571227814 953159721 /nfs/dbraw/zinc/15/97/21/953159721.db2.gz CMFLUSFDGCNDCW-OKILXGFUSA-N 0 3 383.416 -0.801 20 0 GBADHN Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1=O ZINC001571227814 953159718 /nfs/dbraw/zinc/15/97/18/953159718.db2.gz CMFLUSFDGCNDCW-OKILXGFUSA-N 0 3 383.416 -0.801 20 0 GBADHN Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c1=O ZINC001571227863 953160956 /nfs/dbraw/zinc/16/09/56/953160956.db2.gz DPYUOIVBRCKFDR-ZDUSSCGKSA-N 0 3 383.416 -0.847 20 0 GBADHN Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c1=O ZINC001571227863 953160954 /nfs/dbraw/zinc/16/09/54/953160954.db2.gz DPYUOIVBRCKFDR-ZDUSSCGKSA-N 0 3 383.416 -0.847 20 0 GBADHN Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c1=O ZINC001571228005 953160856 /nfs/dbraw/zinc/16/08/56/953160856.db2.gz GFCUJMRKEJJCOS-BETUJISGSA-N 0 3 383.416 -0.801 20 0 GBADHN Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c1=O ZINC001571228005 953160855 /nfs/dbraw/zinc/16/08/55/953160855.db2.gz GFCUJMRKEJJCOS-BETUJISGSA-N 0 3 383.416 -0.801 20 0 GBADHN CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571234584 953203729 /nfs/dbraw/zinc/20/37/29/953203729.db2.gz CJOKWUIZHOPTPA-UHFFFAOYSA-N 0 3 383.503 -0.061 20 0 GBADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571237254 953220674 /nfs/dbraw/zinc/22/06/74/953220674.db2.gz GQKWGWKZKYRXEJ-STQMWFEESA-N 0 3 384.400 -0.845 20 0 GBADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571238126 953225554 /nfs/dbraw/zinc/22/55/54/953225554.db2.gz UZJXGRCTFHUDJW-STQMWFEESA-N 0 3 384.400 -0.845 20 0 GBADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571238126 953225550 /nfs/dbraw/zinc/22/55/50/953225550.db2.gz UZJXGRCTFHUDJW-STQMWFEESA-N 0 3 384.400 -0.845 20 0 GBADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001571238410 953229083 /nfs/dbraw/zinc/22/90/83/953229083.db2.gz BRYCBYYAQIXJSZ-CYBMUJFWSA-N 0 3 384.404 -0.748 20 0 GBADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001571238411 953228939 /nfs/dbraw/zinc/22/89/39/953228939.db2.gz BRYCBYYAQIXJSZ-ZDUSSCGKSA-N 0 3 384.404 -0.748 20 0 GBADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001571238467 953229153 /nfs/dbraw/zinc/22/91/53/953229153.db2.gz DLAKXRYZPHUFCP-GFCCVEGCSA-N 0 3 384.404 -0.597 20 0 GBADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001571238468 953228978 /nfs/dbraw/zinc/22/89/78/953228978.db2.gz DLAKXRYZPHUFCP-LBPRGKRZSA-N 0 3 384.404 -0.597 20 0 GBADHN Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571238546 953229696 /nfs/dbraw/zinc/22/96/96/953229696.db2.gz GPYXXVQAAXTGDM-GFCCVEGCSA-N 0 3 384.404 -0.979 20 0 GBADHN Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571238546 953229691 /nfs/dbraw/zinc/22/96/91/953229691.db2.gz GPYXXVQAAXTGDM-GFCCVEGCSA-N 0 3 384.404 -0.979 20 0 GBADHN Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571238547 953229589 /nfs/dbraw/zinc/22/95/89/953229589.db2.gz GPYXXVQAAXTGDM-LBPRGKRZSA-N 0 3 384.404 -0.979 20 0 GBADHN Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571238547 953229585 /nfs/dbraw/zinc/22/95/85/953229585.db2.gz GPYXXVQAAXTGDM-LBPRGKRZSA-N 0 3 384.404 -0.979 20 0 GBADHN Cc1cc(N[C@@H](C)[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571239317 953238271 /nfs/dbraw/zinc/23/82/71/953238271.db2.gz TUXXQVKHJWEOHV-HZMBPMFUSA-N 0 3 384.404 -0.548 20 0 GBADHN Cc1cc(N[C@@H](C)[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571239318 953238117 /nfs/dbraw/zinc/23/81/17/953238117.db2.gz TUXXQVKHJWEOHV-IINYFYTJSA-N 0 3 384.404 -0.548 20 0 GBADHN Cc1cc(N[C@H](C)[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571239319 953237836 /nfs/dbraw/zinc/23/78/36/953237836.db2.gz TUXXQVKHJWEOHV-QMTHXVAHSA-N 0 3 384.404 -0.548 20 0 GBADHN Cc1cc(N[C@H](C)[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571239320 953237982 /nfs/dbraw/zinc/23/79/82/953237982.db2.gz TUXXQVKHJWEOHV-YGRLFVJLSA-N 0 3 384.404 -0.548 20 0 GBADHN CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242052 953252559 /nfs/dbraw/zinc/25/25/59/953252559.db2.gz ABQSYUYJQVDNQC-DFHBCGBQSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242052 953252557 /nfs/dbraw/zinc/25/25/57/953252557.db2.gz ABQSYUYJQVDNQC-DFHBCGBQSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242052 953252553 /nfs/dbraw/zinc/25/25/53/953252553.db2.gz ABQSYUYJQVDNQC-DFHBCGBQSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242052 953252551 /nfs/dbraw/zinc/25/25/51/953252551.db2.gz ABQSYUYJQVDNQC-DFHBCGBQSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242053 953251831 /nfs/dbraw/zinc/25/18/31/953251831.db2.gz ABQSYUYJQVDNQC-IAISJRAMSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242053 953251828 /nfs/dbraw/zinc/25/18/28/953251828.db2.gz ABQSYUYJQVDNQC-IAISJRAMSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242053 953251826 /nfs/dbraw/zinc/25/18/26/953251826.db2.gz ABQSYUYJQVDNQC-IAISJRAMSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@]3(C)C2)C1=O ZINC001571242053 953251825 /nfs/dbraw/zinc/25/18/25/953251825.db2.gz ABQSYUYJQVDNQC-IAISJRAMSA-N 0 3 384.444 -0.181 20 0 GBADHN C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001571242086 953253112 /nfs/dbraw/zinc/25/31/12/953253112.db2.gz AXGJSPBOALMWGA-VEPFAGFCSA-N 0 3 384.444 -0.278 20 0 GBADHN C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001571242086 953253108 /nfs/dbraw/zinc/25/31/08/953253108.db2.gz AXGJSPBOALMWGA-VEPFAGFCSA-N 0 3 384.444 -0.278 20 0 GBADHN C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001571242086 953253106 /nfs/dbraw/zinc/25/31/06/953253106.db2.gz AXGJSPBOALMWGA-VEPFAGFCSA-N 0 3 384.444 -0.278 20 0 GBADHN C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001571242086 953253103 /nfs/dbraw/zinc/25/31/03/953253103.db2.gz AXGJSPBOALMWGA-VEPFAGFCSA-N 0 3 384.444 -0.278 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)C1 ZINC001571242679 953258629 /nfs/dbraw/zinc/25/86/29/953258629.db2.gz LIMZWOJIPGOJBD-DOERSZECSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)C1 ZINC001571242679 953258628 /nfs/dbraw/zinc/25/86/28/953258628.db2.gz LIMZWOJIPGOJBD-DOERSZECSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)C1 ZINC001571242679 953258627 /nfs/dbraw/zinc/25/86/27/953258627.db2.gz LIMZWOJIPGOJBD-DOERSZECSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)C1 ZINC001571242679 953258626 /nfs/dbraw/zinc/25/86/26/953258626.db2.gz LIMZWOJIPGOJBD-DOERSZECSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)C1 ZINC001571242681 953258774 /nfs/dbraw/zinc/25/87/74/953258774.db2.gz LIMZWOJIPGOJBD-ZRJCITRHSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)C1 ZINC001571242681 953258771 /nfs/dbraw/zinc/25/87/71/953258771.db2.gz LIMZWOJIPGOJBD-ZRJCITRHSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)C1 ZINC001571242681 953258768 /nfs/dbraw/zinc/25/87/68/953258768.db2.gz LIMZWOJIPGOJBD-ZRJCITRHSA-N 0 3 384.444 -0.419 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)C1 ZINC001571242681 953258764 /nfs/dbraw/zinc/25/87/64/953258764.db2.gz LIMZWOJIPGOJBD-ZRJCITRHSA-N 0 3 384.444 -0.419 20 0 GBADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)NC1=O ZINC001571242811 953260167 /nfs/dbraw/zinc/26/01/67/953260167.db2.gz ORSDMDWLYBORKY-CFVMTHIKSA-N 0 3 384.444 -0.125 20 0 GBADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)NC1=O ZINC001571242811 953260165 /nfs/dbraw/zinc/26/01/65/953260165.db2.gz ORSDMDWLYBORKY-CFVMTHIKSA-N 0 3 384.444 -0.125 20 0 GBADHN CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)NC1=O ZINC001571242812 953260308 /nfs/dbraw/zinc/26/03/08/953260308.db2.gz ORSDMDWLYBORKY-VHDGCEQUSA-N 0 3 384.444 -0.125 20 0 GBADHN CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)NC1=O ZINC001571242812 953260306 /nfs/dbraw/zinc/26/03/06/953260306.db2.gz ORSDMDWLYBORKY-VHDGCEQUSA-N 0 3 384.444 -0.125 20 0 GBADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001571242841 953260488 /nfs/dbraw/zinc/26/04/88/953260488.db2.gz PEIZTHNIDOXWLA-BXUZGUMPSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001571242841 953260482 /nfs/dbraw/zinc/26/04/82/953260482.db2.gz PEIZTHNIDOXWLA-BXUZGUMPSA-N 0 3 384.444 -0.133 20 0 GBADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)C1 ZINC001571242848 953260243 /nfs/dbraw/zinc/26/02/43/953260243.db2.gz PMADERQPNUDELM-PVTKRXDGSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)C1 ZINC001571242848 953260242 /nfs/dbraw/zinc/26/02/42/953260242.db2.gz PMADERQPNUDELM-PVTKRXDGSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)C1 ZINC001571242848 953260241 /nfs/dbraw/zinc/26/02/41/953260241.db2.gz PMADERQPNUDELM-PVTKRXDGSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)C1 ZINC001571242848 953260239 /nfs/dbraw/zinc/26/02/39/953260239.db2.gz PMADERQPNUDELM-PVTKRXDGSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)C1 ZINC001571242849 953260412 /nfs/dbraw/zinc/26/04/12/953260412.db2.gz PMADERQPNUDELM-YMEQNVIZSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)C1 ZINC001571242849 953260407 /nfs/dbraw/zinc/26/04/07/953260407.db2.gz PMADERQPNUDELM-YMEQNVIZSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)C1 ZINC001571242849 953260405 /nfs/dbraw/zinc/26/04/05/953260405.db2.gz PMADERQPNUDELM-YMEQNVIZSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)C1 ZINC001571242849 953260400 /nfs/dbraw/zinc/26/04/00/953260400.db2.gz PMADERQPNUDELM-YMEQNVIZSA-N 0 3 384.444 -0.277 20 0 GBADHN CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]3C2)C1=O ZINC001571242860 953260970 /nfs/dbraw/zinc/26/09/70/953260970.db2.gz PTAKQOHYDPSGLM-TYNCELHUSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]3C2)C1=O ZINC001571242860 953260968 /nfs/dbraw/zinc/26/09/68/953260968.db2.gz PTAKQOHYDPSGLM-TYNCELHUSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]3C2)C1=O ZINC001571242860 953260966 /nfs/dbraw/zinc/26/09/66/953260966.db2.gz PTAKQOHYDPSGLM-TYNCELHUSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]3C2)C1=O ZINC001571242860 953260965 /nfs/dbraw/zinc/26/09/65/953260965.db2.gz PTAKQOHYDPSGLM-TYNCELHUSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]3C2)C1=O ZINC001571242861 953261042 /nfs/dbraw/zinc/26/10/42/953261042.db2.gz PTAKQOHYDPSGLM-ZOWXZIJZSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@H]([N@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]3C2)C1=O ZINC001571242861 953261039 /nfs/dbraw/zinc/26/10/39/953261039.db2.gz PTAKQOHYDPSGLM-ZOWXZIJZSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]3C2)C1=O ZINC001571242861 953261037 /nfs/dbraw/zinc/26/10/37/953261037.db2.gz PTAKQOHYDPSGLM-ZOWXZIJZSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@H]([N@H+]2C[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]3C2)C1=O ZINC001571242861 953261032 /nfs/dbraw/zinc/26/10/32/953261032.db2.gz PTAKQOHYDPSGLM-ZOWXZIJZSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1C[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)NC1=O ZINC001571242885 953260745 /nfs/dbraw/zinc/26/07/45/953260745.db2.gz QKLGRTIJVDJNEZ-DOMZBBRYSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)NC1=O ZINC001571242885 953260740 /nfs/dbraw/zinc/26/07/40/953260740.db2.gz QKLGRTIJVDJNEZ-DOMZBBRYSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)NC1=O ZINC001571242886 953261185 /nfs/dbraw/zinc/26/11/85/953261185.db2.gz QKLGRTIJVDJNEZ-IUODEOHRSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)NC1=O ZINC001571242886 953261183 /nfs/dbraw/zinc/26/11/83/953261183.db2.gz QKLGRTIJVDJNEZ-IUODEOHRSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)NC1=O ZINC001571242887 953261127 /nfs/dbraw/zinc/26/11/27/953261127.db2.gz QKLGRTIJVDJNEZ-SWLSCSKDSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)NC1=O ZINC001571242887 953261124 /nfs/dbraw/zinc/26/11/24/953261124.db2.gz QKLGRTIJVDJNEZ-SWLSCSKDSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)NC1=O ZINC001571242888 953260730 /nfs/dbraw/zinc/26/07/30/953260730.db2.gz QKLGRTIJVDJNEZ-WFASDCNBSA-N 0 3 384.444 -0.172 20 0 GBADHN CN1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)NC1=O ZINC001571242888 953260726 /nfs/dbraw/zinc/26/07/26/953260726.db2.gz QKLGRTIJVDJNEZ-WFASDCNBSA-N 0 3 384.444 -0.172 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)C1 ZINC001571242899 953261246 /nfs/dbraw/zinc/26/12/46/953261246.db2.gz QPZLIXOISJMWKI-GFCCVEGCSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)C1 ZINC001571242899 953261243 /nfs/dbraw/zinc/26/12/43/953261243.db2.gz QPZLIXOISJMWKI-GFCCVEGCSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)C1 ZINC001571242899 953261242 /nfs/dbraw/zinc/26/12/42/953261242.db2.gz QPZLIXOISJMWKI-GFCCVEGCSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)C1 ZINC001571242899 953261240 /nfs/dbraw/zinc/26/12/40/953261240.db2.gz QPZLIXOISJMWKI-GFCCVEGCSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)C1 ZINC001571242900 953261262 /nfs/dbraw/zinc/26/12/62/953261262.db2.gz QPZLIXOISJMWKI-LBPRGKRZSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)C1 ZINC001571242900 953261261 /nfs/dbraw/zinc/26/12/61/953261261.db2.gz QPZLIXOISJMWKI-LBPRGKRZSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)C1 ZINC001571242900 953261259 /nfs/dbraw/zinc/26/12/59/953261259.db2.gz QPZLIXOISJMWKI-LBPRGKRZSA-N 0 3 384.444 -0.179 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)C1 ZINC001571242900 953261256 /nfs/dbraw/zinc/26/12/56/953261256.db2.gz QPZLIXOISJMWKI-LBPRGKRZSA-N 0 3 384.444 -0.179 20 0 GBADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571242933 953260951 /nfs/dbraw/zinc/26/09/51/953260951.db2.gz RHAHBPMLRLVSTH-NRXISQOPSA-N 0 3 384.444 -0.031 20 0 GBADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571242933 953260948 /nfs/dbraw/zinc/26/09/48/953260948.db2.gz RHAHBPMLRLVSTH-NRXISQOPSA-N 0 3 384.444 -0.031 20 0 GBADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571242934 953260833 /nfs/dbraw/zinc/26/08/33/953260833.db2.gz RHAHBPMLRLVSTH-YMAMQOFZSA-N 0 3 384.444 -0.031 20 0 GBADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571242934 953260827 /nfs/dbraw/zinc/26/08/27/953260827.db2.gz RHAHBPMLRLVSTH-YMAMQOFZSA-N 0 3 384.444 -0.031 20 0 GBADHN CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242982 953261678 /nfs/dbraw/zinc/26/16/78/953261678.db2.gz SJZRUUVQARUCQG-GUIRCDHDSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242982 953261675 /nfs/dbraw/zinc/26/16/75/953261675.db2.gz SJZRUUVQARUCQG-GUIRCDHDSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242982 953261674 /nfs/dbraw/zinc/26/16/74/953261674.db2.gz SJZRUUVQARUCQG-GUIRCDHDSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242982 953261672 /nfs/dbraw/zinc/26/16/72/953261672.db2.gz SJZRUUVQARUCQG-GUIRCDHDSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242984 953261808 /nfs/dbraw/zinc/26/18/08/953261808.db2.gz SJZRUUVQARUCQG-XPCVCDNBSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242984 953261807 /nfs/dbraw/zinc/26/18/07/953261807.db2.gz SJZRUUVQARUCQG-XPCVCDNBSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242984 953261804 /nfs/dbraw/zinc/26/18/04/953261804.db2.gz SJZRUUVQARUCQG-XPCVCDNBSA-N 0 3 384.444 -0.277 20 0 GBADHN CCN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)C1=O ZINC001571242984 953261801 /nfs/dbraw/zinc/26/18/01/953261801.db2.gz SJZRUUVQARUCQG-XPCVCDNBSA-N 0 3 384.444 -0.277 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)C1 ZINC001571243031 953262904 /nfs/dbraw/zinc/26/29/04/953262904.db2.gz UIQUYVMVLPRKAG-SLEUVZQESA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)C1 ZINC001571243031 953262899 /nfs/dbraw/zinc/26/28/99/953262899.db2.gz UIQUYVMVLPRKAG-SLEUVZQESA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)C1 ZINC001571243031 953262897 /nfs/dbraw/zinc/26/28/97/953262897.db2.gz UIQUYVMVLPRKAG-SLEUVZQESA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)C1 ZINC001571243031 953262893 /nfs/dbraw/zinc/26/28/93/953262893.db2.gz UIQUYVMVLPRKAG-SLEUVZQESA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)C1 ZINC001571243032 953262418 /nfs/dbraw/zinc/26/24/18/953262418.db2.gz UIQUYVMVLPRKAG-YWPYICTPSA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)C1 ZINC001571243032 953262416 /nfs/dbraw/zinc/26/24/16/953262416.db2.gz UIQUYVMVLPRKAG-YWPYICTPSA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)C1 ZINC001571243032 953262415 /nfs/dbraw/zinc/26/24/15/953262415.db2.gz UIQUYVMVLPRKAG-YWPYICTPSA-N 0 3 384.444 -0.181 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)C1 ZINC001571243032 953262413 /nfs/dbraw/zinc/26/24/13/953262413.db2.gz UIQUYVMVLPRKAG-YWPYICTPSA-N 0 3 384.444 -0.181 20 0 GBADHN CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)C1=O ZINC001571243054 953262460 /nfs/dbraw/zinc/26/24/60/953262460.db2.gz UTFNOTQIUDBJIW-NILFDRSVSA-N 0 3 384.444 -0.038 20 0 GBADHN CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)C1=O ZINC001571243054 953262459 /nfs/dbraw/zinc/26/24/59/953262459.db2.gz UTFNOTQIUDBJIW-NILFDRSVSA-N 0 3 384.444 -0.038 20 0 GBADHN CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)C1=O ZINC001571243055 953262772 /nfs/dbraw/zinc/26/27/72/953262772.db2.gz UTFNOTQIUDBJIW-TUKIKUTGSA-N 0 3 384.444 -0.038 20 0 GBADHN CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)C1=O ZINC001571243055 953262771 /nfs/dbraw/zinc/26/27/71/953262771.db2.gz UTFNOTQIUDBJIW-TUKIKUTGSA-N 0 3 384.444 -0.038 20 0 GBADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001571248838 953298001 /nfs/dbraw/zinc/29/80/01/953298001.db2.gz JYHRCKCXRHFZCJ-FNFWKMNBSA-N 0 3 384.444 -0.085 20 0 GBADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001571248839 953298072 /nfs/dbraw/zinc/29/80/72/953298072.db2.gz JYHRCKCXRHFZCJ-SRBZOADZSA-N 0 3 384.444 -0.085 20 0 GBADHN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571248917 953298834 /nfs/dbraw/zinc/29/88/34/953298834.db2.gz LWZRCULEUMUMMK-FVQBIDKESA-N 0 3 384.444 -0.731 20 0 GBADHN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571248917 953298832 /nfs/dbraw/zinc/29/88/32/953298832.db2.gz LWZRCULEUMUMMK-FVQBIDKESA-N 0 3 384.444 -0.731 20 0 GBADHN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001571248918 953298951 /nfs/dbraw/zinc/29/89/51/953298951.db2.gz LWZRCULEUMUMMK-NUEKZKHPSA-N 0 3 384.444 -0.731 20 0 GBADHN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001571248918 953298947 /nfs/dbraw/zinc/29/89/47/953298947.db2.gz LWZRCULEUMUMMK-NUEKZKHPSA-N 0 3 384.444 -0.731 20 0 GBADHN O=C(N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571248976 953299941 /nfs/dbraw/zinc/29/99/41/953299941.db2.gz NETQDFMPBOXVGO-BJHJDKERSA-N 0 3 384.444 -0.085 20 0 GBADHN O=C(N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571248976 953299937 /nfs/dbraw/zinc/29/99/37/953299937.db2.gz NETQDFMPBOXVGO-BJHJDKERSA-N 0 3 384.444 -0.085 20 0 GBADHN O=C(NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571248977 953299491 /nfs/dbraw/zinc/29/94/91/953299491.db2.gz NETQDFMPBOXVGO-UHFFFAOYSA-N 0 3 384.444 -0.085 20 0 GBADHN O=C(NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571248977 953299487 /nfs/dbraw/zinc/29/94/87/953299487.db2.gz NETQDFMPBOXVGO-UHFFFAOYSA-N 0 3 384.444 -0.085 20 0 GBADHN O=C(CCN1CCOCC1)N1C[C@@H]2C[C@H]1CN2c1ccncc1-c1nn[nH]n1 ZINC001571250312 953310141 /nfs/dbraw/zinc/31/01/41/953310141.db2.gz QPYOCQKUYKJAPA-KBPBESRZSA-N 0 3 384.444 -0.227 20 0 GBADHN O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571251227 953315611 /nfs/dbraw/zinc/31/56/11/953315611.db2.gz SVOVQQAJRDCOMN-CHWSQXEVSA-N 0 3 384.444 -0.133 20 0 GBADHN O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571251227 953315607 /nfs/dbraw/zinc/31/56/07/953315607.db2.gz SVOVQQAJRDCOMN-CHWSQXEVSA-N 0 3 384.444 -0.133 20 0 GBADHN O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571251228 953315323 /nfs/dbraw/zinc/31/53/23/953315323.db2.gz SVOVQQAJRDCOMN-OLZOCXBDSA-N 0 3 384.444 -0.133 20 0 GBADHN O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571251228 953315317 /nfs/dbraw/zinc/31/53/17/953315317.db2.gz SVOVQQAJRDCOMN-OLZOCXBDSA-N 0 3 384.444 -0.133 20 0 GBADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CNC(=O)N1 ZINC001571252184 953325601 /nfs/dbraw/zinc/32/56/01/953325601.db2.gz YBHUHJNAMXBASO-CFVMTHIKSA-N 0 3 384.444 -0.077 20 0 GBADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CNC(=O)N1 ZINC001571252184 953325598 /nfs/dbraw/zinc/32/55/98/953325598.db2.gz YBHUHJNAMXBASO-CFVMTHIKSA-N 0 3 384.444 -0.077 20 0 GBADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CNC(=O)N1 ZINC001571252185 953325626 /nfs/dbraw/zinc/32/56/26/953325626.db2.gz YBHUHJNAMXBASO-NWANDNLSSA-N 0 3 384.444 -0.077 20 0 GBADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CNC(=O)N1 ZINC001571252185 953325623 /nfs/dbraw/zinc/32/56/23/953325623.db2.gz YBHUHJNAMXBASO-NWANDNLSSA-N 0 3 384.444 -0.077 20 0 GBADHN O=C(CN1CCOCC1=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571258815 945367104 /nfs/dbraw/zinc/36/71/04/945367104.db2.gz CDXUHRMRUFPZCH-HNNXBMFYSA-N 0 3 385.428 -0.584 20 0 GBADHN O=C(CN1CCOCC1=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571258816 945368124 /nfs/dbraw/zinc/36/81/24/945368124.db2.gz CDXUHRMRUFPZCH-OAHLLOKOSA-N 0 3 385.428 -0.584 20 0 GBADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc1-c1nn[n-]n1 ZINC001571259113 945376423 /nfs/dbraw/zinc/37/64/23/945376423.db2.gz HTGRFPFJZVONFS-JSGCOSHPSA-N 0 3 385.428 -0.156 20 0 GBADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc1-c1nnn[n-]1 ZINC001571259113 945376416 /nfs/dbraw/zinc/37/64/16/945376416.db2.gz HTGRFPFJZVONFS-JSGCOSHPSA-N 0 3 385.428 -0.156 20 0 GBADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1-c1nn[n-]n1 ZINC001571259350 945383950 /nfs/dbraw/zinc/38/39/50/945383950.db2.gz LRZOOVXAUSUMLR-LPWJVIDDSA-N 0 3 385.428 -0.267 20 0 GBADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1-c1nnn[n-]1 ZINC001571259350 945383942 /nfs/dbraw/zinc/38/39/42/945383942.db2.gz LRZOOVXAUSUMLR-LPWJVIDDSA-N 0 3 385.428 -0.267 20 0 GBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)O1 ZINC001571259413 945385784 /nfs/dbraw/zinc/38/57/84/945385784.db2.gz MVLDYGAGUZLFFF-QLFBSQMISA-N 0 3 385.428 -0.410 20 0 GBADHN O=C(Cn1cnnn1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571267613 945575804 /nfs/dbraw/zinc/57/58/04/945575804.db2.gz ACFUZURAZFPJBO-UHFFFAOYSA-N 0 3 386.395 -0.323 20 0 GBADHN O=C(Cn1cnnn1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571267613 945575798 /nfs/dbraw/zinc/57/57/98/945575798.db2.gz ACFUZURAZFPJBO-UHFFFAOYSA-N 0 3 386.395 -0.323 20 0 GBADHN Cn1nnc(C(=O)NCC2CC([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)n1 ZINC001571267659 945575383 /nfs/dbraw/zinc/57/53/83/945575383.db2.gz BDMPHGQSRKBBPG-UHFFFAOYSA-N 0 3 386.395 -0.173 20 0 GBADHN Cn1nnc(C(=O)NCC2CC([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)n1 ZINC001571267659 945575381 /nfs/dbraw/zinc/57/53/81/945575381.db2.gz BDMPHGQSRKBBPG-UHFFFAOYSA-N 0 3 386.395 -0.173 20 0 GBADHN O=C(Cn1ncnn1)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571267767 945578987 /nfs/dbraw/zinc/57/89/87/945578987.db2.gz DJSGSEBWSWPTPG-UHFFFAOYSA-N 0 3 386.395 -0.227 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571267801 945578999 /nfs/dbraw/zinc/57/89/99/945578999.db2.gz FBOGIMGYUUIOLP-CYBMUJFWSA-N 0 3 386.395 -0.227 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571267801 945578996 /nfs/dbraw/zinc/57/89/96/945578996.db2.gz FBOGIMGYUUIOLP-CYBMUJFWSA-N 0 3 386.395 -0.227 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCc1cc(-c2nn[nH]n2)ccc1F ZINC001571267809 945578472 /nfs/dbraw/zinc/57/84/72/945578472.db2.gz FONPDLKUYWCSND-QMTHXVAHSA-N 0 3 386.395 -0.371 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571267952 945584155 /nfs/dbraw/zinc/58/41/55/945584155.db2.gz JVGYUMPFUVKSSB-CYBMUJFWSA-N 0 3 386.395 -0.227 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571267952 945584151 /nfs/dbraw/zinc/58/41/51/945584151.db2.gz JVGYUMPFUVKSSB-CYBMUJFWSA-N 0 3 386.395 -0.227 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267953 945583587 /nfs/dbraw/zinc/58/35/87/945583587.db2.gz JVLDHCSESHTEIW-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267953 945583581 /nfs/dbraw/zinc/58/35/81/945583581.db2.gz JVLDHCSESHTEIW-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267954 945583929 /nfs/dbraw/zinc/58/39/29/945583929.db2.gz JVLDHCSESHTEIW-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267954 945583921 /nfs/dbraw/zinc/58/39/21/945583921.db2.gz JVLDHCSESHTEIW-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267955 945583613 /nfs/dbraw/zinc/58/36/13/945583613.db2.gz JVLDHCSESHTEIW-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267955 945583605 /nfs/dbraw/zinc/58/36/05/945583605.db2.gz JVLDHCSESHTEIW-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267956 945584546 /nfs/dbraw/zinc/58/45/46/945584546.db2.gz JVLDHCSESHTEIW-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267956 945584540 /nfs/dbraw/zinc/58/45/40/945584540.db2.gz JVLDHCSESHTEIW-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267959 945584214 /nfs/dbraw/zinc/58/42/14/945584214.db2.gz JWIDZKKNBOMWTH-NOZJJQNGSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267960 945583381 /nfs/dbraw/zinc/58/33/81/945583381.db2.gz JWIDZKKNBOMWTH-RNCFNFMXSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267961 945583254 /nfs/dbraw/zinc/58/32/54/945583254.db2.gz JWIDZKKNBOMWTH-TVQRCGJNSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267962 945584618 /nfs/dbraw/zinc/58/46/18/945584618.db2.gz JWIDZKKNBOMWTH-ZANVPECISA-N 0 3 386.395 -0.078 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571268085 945587906 /nfs/dbraw/zinc/58/79/06/945587906.db2.gz NQCXWHCTNHMNAU-ZDUSSCGKSA-N 0 3 386.395 -0.227 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571268213 945589668 /nfs/dbraw/zinc/58/96/68/945589668.db2.gz OJWDOIXBSPRMGE-QMTHXVAHSA-N 0 3 386.395 -0.371 20 0 GBADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571268213 945589653 /nfs/dbraw/zinc/58/96/53/945589653.db2.gz OJWDOIXBSPRMGE-QMTHXVAHSA-N 0 3 386.395 -0.371 20 0 GBADHN O=C(Cn1cnnn1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001571268438 945596311 /nfs/dbraw/zinc/59/63/11/945596311.db2.gz RZBBABCFBWSICC-UHFFFAOYSA-N 0 3 386.395 -0.227 20 0 GBADHN O=C(Cn1cnnn1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001571268438 945596305 /nfs/dbraw/zinc/59/63/05/945596305.db2.gz RZBBABCFBWSICC-UHFFFAOYSA-N 0 3 386.395 -0.227 20 0 GBADHN O=C(Cn1cnnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571268496 945598861 /nfs/dbraw/zinc/59/88/61/945598861.db2.gz UHVUXJNOPGZAEE-LLVKDONJSA-N 0 3 386.395 -0.369 20 0 GBADHN O=C(Cn1cnnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571268496 945598849 /nfs/dbraw/zinc/59/88/49/945598849.db2.gz UHVUXJNOPGZAEE-LLVKDONJSA-N 0 3 386.395 -0.369 20 0 GBADHN O=C(Cn1cnnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571268497 945598667 /nfs/dbraw/zinc/59/86/67/945598667.db2.gz UHVUXJNOPGZAEE-NSHDSACASA-N 0 3 386.395 -0.369 20 0 GBADHN O=C(Cn1cnnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571268497 945598661 /nfs/dbraw/zinc/59/86/61/945598661.db2.gz UHVUXJNOPGZAEE-NSHDSACASA-N 0 3 386.395 -0.369 20 0 GBADHN Cn1nnc(C(=O)N2CCC[C@@H]2CNCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001571268639 945600649 /nfs/dbraw/zinc/60/06/49/945600649.db2.gz VLVVKCPTHPEKAI-GFCCVEGCSA-N 0 3 386.395 -0.076 20 0 GBADHN Cn1nnc(C(=O)N2CCC[C@H]2CNCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001571268640 945601567 /nfs/dbraw/zinc/60/15/67/945601567.db2.gz VLVVKCPTHPEKAI-LBPRGKRZSA-N 0 3 386.395 -0.076 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268658 945601524 /nfs/dbraw/zinc/60/15/24/945601524.db2.gz WGBAGRRLOGEZFP-GFCCVEGCSA-N 0 3 386.395 -0.227 20 0 GBADHN O=C(Cn1cnnn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268659 945602297 /nfs/dbraw/zinc/60/22/97/945602297.db2.gz WGBAGRRLOGEZFP-LBPRGKRZSA-N 0 3 386.395 -0.227 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571268677 945602454 /nfs/dbraw/zinc/60/24/54/945602454.db2.gz WLXKCSVDIHCQBL-NOZJJQNGSA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571268677 945602453 /nfs/dbraw/zinc/60/24/53/945602453.db2.gz WLXKCSVDIHCQBL-NOZJJQNGSA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571268678 945602613 /nfs/dbraw/zinc/60/26/13/945602613.db2.gz WLXKCSVDIHCQBL-RNCFNFMXSA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571268678 945602611 /nfs/dbraw/zinc/60/26/11/945602611.db2.gz WLXKCSVDIHCQBL-RNCFNFMXSA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571268679 945601640 /nfs/dbraw/zinc/60/16/40/945601640.db2.gz WLXKCSVDIHCQBL-TVQRCGJNSA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571268679 945601634 /nfs/dbraw/zinc/60/16/34/945601634.db2.gz WLXKCSVDIHCQBL-TVQRCGJNSA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571268680 945602661 /nfs/dbraw/zinc/60/26/61/945602661.db2.gz WLXKCSVDIHCQBL-ZANVPECISA-N 0 3 386.395 -0.220 20 0 GBADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571268680 945602657 /nfs/dbraw/zinc/60/26/57/945602657.db2.gz WLXKCSVDIHCQBL-ZANVPECISA-N 0 3 386.395 -0.220 20 0 GBADHN O=C(Cn1ncnn1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571268801 945606103 /nfs/dbraw/zinc/60/61/03/945606103.db2.gz XMUMTIQOBBBKPR-HAQNSBGRSA-N 0 3 386.395 -0.323 20 0 GBADHN O=C(Cn1ncnn1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268801 945606101 /nfs/dbraw/zinc/60/61/01/945606101.db2.gz XMUMTIQOBBBKPR-HAQNSBGRSA-N 0 3 386.395 -0.323 20 0 GBADHN Cn1nnc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571268866 945605256 /nfs/dbraw/zinc/60/52/56/945605256.db2.gz YAAGPFYVBVUSNG-LLVKDONJSA-N 0 3 386.395 -0.219 20 0 GBADHN Cn1nnc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)n1 ZINC001571268866 945605249 /nfs/dbraw/zinc/60/52/49/945605249.db2.gz YAAGPFYVBVUSNG-LLVKDONJSA-N 0 3 386.395 -0.219 20 0 GBADHN Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571268867 945605958 /nfs/dbraw/zinc/60/59/58/945605958.db2.gz YAAGPFYVBVUSNG-NSHDSACASA-N 0 3 386.395 -0.219 20 0 GBADHN Cn1nnc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)n1 ZINC001571268867 945605954 /nfs/dbraw/zinc/60/59/54/945605954.db2.gz YAAGPFYVBVUSNG-NSHDSACASA-N 0 3 386.395 -0.219 20 0 GBADHN O=C(CCn1cnnn1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268882 945608357 /nfs/dbraw/zinc/60/83/57/945608357.db2.gz YEDSIIAXNWPKPM-GFCCVEGCSA-N 0 3 386.395 -0.227 20 0 GBADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268898 945607890 /nfs/dbraw/zinc/60/78/90/945607890.db2.gz YVPRXAREMNJNEQ-NOZJJQNGSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268899 945607704 /nfs/dbraw/zinc/60/77/04/945607704.db2.gz YVPRXAREMNJNEQ-RNCFNFMXSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268900 945607831 /nfs/dbraw/zinc/60/78/31/945607831.db2.gz YVPRXAREMNJNEQ-TVQRCGJNSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268901 945607754 /nfs/dbraw/zinc/60/77/54/945607754.db2.gz YVPRXAREMNJNEQ-ZANVPECISA-N 0 3 386.395 -0.078 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571272237 945658468 /nfs/dbraw/zinc/65/84/68/945658468.db2.gz BQPJDUOYFTVQPD-BPLDGKMQSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571272237 945658461 /nfs/dbraw/zinc/65/84/61/945658461.db2.gz BQPJDUOYFTVQPD-BPLDGKMQSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571272237 945658452 /nfs/dbraw/zinc/65/84/52/945658452.db2.gz BQPJDUOYFTVQPD-BPLDGKMQSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571272237 945658444 /nfs/dbraw/zinc/65/84/44/945658444.db2.gz BQPJDUOYFTVQPD-BPLDGKMQSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571272238 945658138 /nfs/dbraw/zinc/65/81/38/945658138.db2.gz BQPJDUOYFTVQPD-NWANDNLSSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571272238 945658131 /nfs/dbraw/zinc/65/81/31/945658131.db2.gz BQPJDUOYFTVQPD-NWANDNLSSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571272238 945658125 /nfs/dbraw/zinc/65/81/25/945658125.db2.gz BQPJDUOYFTVQPD-NWANDNLSSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571272238 945658117 /nfs/dbraw/zinc/65/81/17/945658117.db2.gz BQPJDUOYFTVQPD-NWANDNLSSA-N 0 3 386.460 -0.422 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571272243 945658252 /nfs/dbraw/zinc/65/82/52/945658252.db2.gz BQZUPDDOTRPZTM-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571272243 945658248 /nfs/dbraw/zinc/65/82/48/945658248.db2.gz BQZUPDDOTRPZTM-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571272243 945658242 /nfs/dbraw/zinc/65/82/42/945658242.db2.gz BQZUPDDOTRPZTM-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571272243 945658234 /nfs/dbraw/zinc/65/82/34/945658234.db2.gz BQZUPDDOTRPZTM-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571272244 945658857 /nfs/dbraw/zinc/65/88/57/945658857.db2.gz BQZUPDDOTRPZTM-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571272244 945658853 /nfs/dbraw/zinc/65/88/53/945658853.db2.gz BQZUPDDOTRPZTM-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571272244 945658850 /nfs/dbraw/zinc/65/88/50/945658850.db2.gz BQZUPDDOTRPZTM-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571272244 945658844 /nfs/dbraw/zinc/65/88/44/945658844.db2.gz BQZUPDDOTRPZTM-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571272245 945658901 /nfs/dbraw/zinc/65/89/01/945658901.db2.gz BQZUPDDOTRPZTM-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571272245 945658896 /nfs/dbraw/zinc/65/88/96/945658896.db2.gz BQZUPDDOTRPZTM-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571272245 945658893 /nfs/dbraw/zinc/65/88/93/945658893.db2.gz BQZUPDDOTRPZTM-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571272245 945658890 /nfs/dbraw/zinc/65/88/90/945658890.db2.gz BQZUPDDOTRPZTM-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571272246 945658546 /nfs/dbraw/zinc/65/85/46/945658546.db2.gz BQZUPDDOTRPZTM-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571272246 945658543 /nfs/dbraw/zinc/65/85/43/945658543.db2.gz BQZUPDDOTRPZTM-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571272246 945658536 /nfs/dbraw/zinc/65/85/36/945658536.db2.gz BQZUPDDOTRPZTM-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571272246 945658532 /nfs/dbraw/zinc/65/85/32/945658532.db2.gz BQZUPDDOTRPZTM-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272380 945661138 /nfs/dbraw/zinc/66/11/38/945661138.db2.gz CIRVLOROVHGQLU-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272380 945661127 /nfs/dbraw/zinc/66/11/27/945661127.db2.gz CIRVLOROVHGQLU-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272380 945661120 /nfs/dbraw/zinc/66/11/20/945661120.db2.gz CIRVLOROVHGQLU-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272380 945661106 /nfs/dbraw/zinc/66/11/06/945661106.db2.gz CIRVLOROVHGQLU-KBPBESRZSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272381 945661512 /nfs/dbraw/zinc/66/15/12/945661512.db2.gz CIRVLOROVHGQLU-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272381 945661505 /nfs/dbraw/zinc/66/15/05/945661505.db2.gz CIRVLOROVHGQLU-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272381 945661500 /nfs/dbraw/zinc/66/15/00/945661500.db2.gz CIRVLOROVHGQLU-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272381 945661495 /nfs/dbraw/zinc/66/14/95/945661495.db2.gz CIRVLOROVHGQLU-KGLIPLIRSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272382 945661222 /nfs/dbraw/zinc/66/12/22/945661222.db2.gz CIRVLOROVHGQLU-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272382 945661221 /nfs/dbraw/zinc/66/12/21/945661221.db2.gz CIRVLOROVHGQLU-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272382 945661216 /nfs/dbraw/zinc/66/12/16/945661216.db2.gz CIRVLOROVHGQLU-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272382 945661214 /nfs/dbraw/zinc/66/12/14/945661214.db2.gz CIRVLOROVHGQLU-UONOGXRCSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272383 945662312 /nfs/dbraw/zinc/66/23/12/945662312.db2.gz CIRVLOROVHGQLU-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571272383 945662306 /nfs/dbraw/zinc/66/23/06/945662306.db2.gz CIRVLOROVHGQLU-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272383 945662294 /nfs/dbraw/zinc/66/22/94/945662294.db2.gz CIRVLOROVHGQLU-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN Cc1nc(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571272383 945662282 /nfs/dbraw/zinc/66/22/82/945662282.db2.gz CIRVLOROVHGQLU-ZIAGYGMSSA-N 0 3 386.460 -0.157 20 0 GBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001571272655 945667036 /nfs/dbraw/zinc/66/70/36/945667036.db2.gz GYOIXVLDUAADLJ-YJNKXOJESA-N 0 3 386.460 -0.342 20 0 GBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001571272655 945667032 /nfs/dbraw/zinc/66/70/32/945667032.db2.gz GYOIXVLDUAADLJ-YJNKXOJESA-N 0 3 386.460 -0.342 20 0 GBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001571272655 945667025 /nfs/dbraw/zinc/66/70/25/945667025.db2.gz GYOIXVLDUAADLJ-YJNKXOJESA-N 0 3 386.460 -0.342 20 0 GBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001571272655 945667019 /nfs/dbraw/zinc/66/70/19/945667019.db2.gz GYOIXVLDUAADLJ-YJNKXOJESA-N 0 3 386.460 -0.342 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)CC[N@H+]1C ZINC001571272838 945674251 /nfs/dbraw/zinc/67/42/51/945674251.db2.gz JHIWRZWMILEIOM-BPLDGKMQSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)CC[N@@H+]1C ZINC001571272838 945674248 /nfs/dbraw/zinc/67/42/48/945674248.db2.gz JHIWRZWMILEIOM-BPLDGKMQSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)CC[N@H+]1C ZINC001571272838 945674245 /nfs/dbraw/zinc/67/42/45/945674245.db2.gz JHIWRZWMILEIOM-BPLDGKMQSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)CC[N@@H+]1C ZINC001571272838 945674241 /nfs/dbraw/zinc/67/42/41/945674241.db2.gz JHIWRZWMILEIOM-BPLDGKMQSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)CC[N@H+]1C ZINC001571272839 945673973 /nfs/dbraw/zinc/67/39/73/945673973.db2.gz JHIWRZWMILEIOM-VHDGCEQUSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)CC[N@@H+]1C ZINC001571272839 945673969 /nfs/dbraw/zinc/67/39/69/945673969.db2.gz JHIWRZWMILEIOM-VHDGCEQUSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)CC[N@H+]1C ZINC001571272839 945673964 /nfs/dbraw/zinc/67/39/64/945673964.db2.gz JHIWRZWMILEIOM-VHDGCEQUSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)CC[N@@H+]1C ZINC001571272839 945673959 /nfs/dbraw/zinc/67/39/59/945673959.db2.gz JHIWRZWMILEIOM-VHDGCEQUSA-N 0 3 386.460 -0.077 20 0 GBADHN Cc1cc(N2CCC(NC(=O)[C@@H]3CN(C)CCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571273078 945680056 /nfs/dbraw/zinc/68/00/56/945680056.db2.gz OOGYFTFJSWUFKC-INIZCTEOSA-N 0 3 386.460 -0.014 20 0 GBADHN Cc1cc(N2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571273079 945679465 /nfs/dbraw/zinc/67/94/65/945679465.db2.gz OOGYFTFJSWUFKC-MRXNPFEDSA-N 0 3 386.460 -0.014 20 0 GBADHN C[NH+]1CCC(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC1 ZINC001571273144 945679448 /nfs/dbraw/zinc/67/94/48/945679448.db2.gz QHJHRPRLDMMEQE-CABCVRRESA-N 0 3 386.460 -0.341 20 0 GBADHN C[NH+]1CCC(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC1 ZINC001571273144 945679443 /nfs/dbraw/zinc/67/94/43/945679443.db2.gz QHJHRPRLDMMEQE-CABCVRRESA-N 0 3 386.460 -0.341 20 0 GBADHN CN1CCO[C@H](C(=O)N2CCC(CNc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001571273338 945685240 /nfs/dbraw/zinc/68/52/40/945685240.db2.gz VVRQFYNEGDHGMJ-INIZCTEOSA-N 0 3 386.460 -0.335 20 0 GBADHN CN1CCO[C@@H](C(=O)N2CCC(CNc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001571273339 945686601 /nfs/dbraw/zinc/68/66/01/945686601.db2.gz VVRQFYNEGDHGMJ-MRXNPFEDSA-N 0 3 386.460 -0.335 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2ncccc2-c2nn[n-]n2)CC[N@H+]1C ZINC001571273517 945690454 /nfs/dbraw/zinc/69/04/54/945690454.db2.gz YWYZBPRLKDRNTH-HZSPNIEDSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2ncccc2-c2nn[n-]n2)CC[N@@H+]1C ZINC001571273517 945690448 /nfs/dbraw/zinc/69/04/48/945690448.db2.gz YWYZBPRLKDRNTH-HZSPNIEDSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2ncccc2-c2nnn[n-]2)CC[N@H+]1C ZINC001571273517 945690443 /nfs/dbraw/zinc/69/04/43/945690443.db2.gz YWYZBPRLKDRNTH-HZSPNIEDSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2ncccc2-c2nnn[n-]2)CC[N@@H+]1C ZINC001571273517 945690438 /nfs/dbraw/zinc/69/04/38/945690438.db2.gz YWYZBPRLKDRNTH-HZSPNIEDSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nn[n-]n2)CC[N@H+]1C ZINC001571273518 945689715 /nfs/dbraw/zinc/68/97/15/945689715.db2.gz YWYZBPRLKDRNTH-MGPQQGTHSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nn[n-]n2)CC[N@@H+]1C ZINC001571273518 945689709 /nfs/dbraw/zinc/68/97/09/945689709.db2.gz YWYZBPRLKDRNTH-MGPQQGTHSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nnn[n-]2)CC[N@H+]1C ZINC001571273518 945689703 /nfs/dbraw/zinc/68/97/03/945689703.db2.gz YWYZBPRLKDRNTH-MGPQQGTHSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nnn[n-]2)CC[N@@H+]1C ZINC001571273518 945689698 /nfs/dbraw/zinc/68/96/98/945689698.db2.gz YWYZBPRLKDRNTH-MGPQQGTHSA-N 0 3 386.460 -0.077 20 0 GBADHN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275666 945712403 /nfs/dbraw/zinc/71/24/03/945712403.db2.gz AGBGVZXEGXNBQH-KBPBESRZSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275667 945712260 /nfs/dbraw/zinc/71/22/60/945712260.db2.gz AGBGVZXEGXNBQH-KGLIPLIRSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275668 945711655 /nfs/dbraw/zinc/71/16/55/945711655.db2.gz AGBGVZXEGXNBQH-UONOGXRCSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275669 945712291 /nfs/dbraw/zinc/71/22/91/945712291.db2.gz AGBGVZXEGXNBQH-ZIAGYGMSSA-N 0 3 386.460 -0.193 20 0 GBADHN CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001571275703 945713664 /nfs/dbraw/zinc/71/36/64/945713664.db2.gz BCFIJPWZPLSTLA-MXYBEHONSA-N 0 3 386.460 -0.032 20 0 GBADHN CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001571275704 945714704 /nfs/dbraw/zinc/71/47/04/945714704.db2.gz BCFIJPWZPLSTLA-PAPYEOQZSA-N 0 3 386.460 -0.032 20 0 GBADHN CCN1CCO[C@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1 ZINC001571275736 945713641 /nfs/dbraw/zinc/71/36/41/945713641.db2.gz BPNVOXKUHPESGH-BBRMVZONSA-N 0 3 386.460 -0.274 20 0 GBADHN CCN1CCO[C@@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1 ZINC001571275737 945713659 /nfs/dbraw/zinc/71/36/59/945713659.db2.gz BPNVOXKUHPESGH-XJKSGUPXSA-N 0 3 386.460 -0.274 20 0 GBADHN O=C([C@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276681 945733677 /nfs/dbraw/zinc/73/36/77/945733677.db2.gz JEDBZMZRIZBDHB-GXTWGEPZSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276681 945733674 /nfs/dbraw/zinc/73/36/74/945733674.db2.gz JEDBZMZRIZBDHB-GXTWGEPZSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276682 945734068 /nfs/dbraw/zinc/73/40/68/945734068.db2.gz JEDBZMZRIZBDHB-JSGCOSHPSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276682 945734064 /nfs/dbraw/zinc/73/40/64/945734064.db2.gz JEDBZMZRIZBDHB-JSGCOSHPSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276683 945733637 /nfs/dbraw/zinc/73/36/37/945733637.db2.gz JEDBZMZRIZBDHB-OCCSQVGLSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276683 945733634 /nfs/dbraw/zinc/73/36/34/945733634.db2.gz JEDBZMZRIZBDHB-OCCSQVGLSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276684 945733821 /nfs/dbraw/zinc/73/38/21/945733821.db2.gz JEDBZMZRIZBDHB-TZMCWYRMSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C([C@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276684 945733815 /nfs/dbraw/zinc/73/38/15/945733815.db2.gz JEDBZMZRIZBDHB-TZMCWYRMSA-N 0 3 387.400 -0.708 20 0 GBADHN O=C(N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001571276970 945736644 /nfs/dbraw/zinc/73/66/44/945736644.db2.gz LTHVRJGBSAEXEL-TZMCWYRMSA-N 0 3 387.419 -0.233 20 0 GBADHN O=C(N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001571276970 945736638 /nfs/dbraw/zinc/73/66/38/945736638.db2.gz LTHVRJGBSAEXEL-TZMCWYRMSA-N 0 3 387.419 -0.233 20 0 GBADHN O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282277 945833947 /nfs/dbraw/zinc/83/39/47/945833947.db2.gz FWVIEXYPPBTHDZ-CHWSQXEVSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282277 945833935 /nfs/dbraw/zinc/83/39/35/945833935.db2.gz FWVIEXYPPBTHDZ-CHWSQXEVSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282278 945837188 /nfs/dbraw/zinc/83/71/88/945837188.db2.gz FWVIEXYPPBTHDZ-OLZOCXBDSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282278 945837177 /nfs/dbraw/zinc/83/71/77/945837177.db2.gz FWVIEXYPPBTHDZ-OLZOCXBDSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282279 945838682 /nfs/dbraw/zinc/83/86/82/945838682.db2.gz FWVIEXYPPBTHDZ-QWHCGFSZSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282279 945838675 /nfs/dbraw/zinc/83/86/75/945838675.db2.gz FWVIEXYPPBTHDZ-QWHCGFSZSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282280 945837679 /nfs/dbraw/zinc/83/76/79/945837679.db2.gz FWVIEXYPPBTHDZ-STQMWFEESA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282280 945837670 /nfs/dbraw/zinc/83/76/70/945837670.db2.gz FWVIEXYPPBTHDZ-STQMWFEESA-N 0 3 387.448 -0.149 20 0 GBADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571282330 945837824 /nfs/dbraw/zinc/83/78/24/945837824.db2.gz HKAVGEVQRSZKBW-CYBMUJFWSA-N 0 3 387.448 -0.484 20 0 GBADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571282330 945837812 /nfs/dbraw/zinc/83/78/12/945837812.db2.gz HKAVGEVQRSZKBW-CYBMUJFWSA-N 0 3 387.448 -0.484 20 0 GBADHN C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571282331 945839808 /nfs/dbraw/zinc/83/98/08/945839808.db2.gz HKAVGEVQRSZKBW-ZDUSSCGKSA-N 0 3 387.448 -0.484 20 0 GBADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571282331 945839787 /nfs/dbraw/zinc/83/97/87/945839787.db2.gz HKAVGEVQRSZKBW-ZDUSSCGKSA-N 0 3 387.448 -0.484 20 0 GBADHN C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282346 945839575 /nfs/dbraw/zinc/83/95/75/945839575.db2.gz IBLLGXFDVOLMPA-NEPJUHHUSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282346 945839555 /nfs/dbraw/zinc/83/95/55/945839555.db2.gz IBLLGXFDVOLMPA-NEPJUHHUSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282347 945837566 /nfs/dbraw/zinc/83/75/66/945837566.db2.gz IBLLGXFDVOLMPA-NWDGAFQWSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282347 945837553 /nfs/dbraw/zinc/83/75/53/945837553.db2.gz IBLLGXFDVOLMPA-NWDGAFQWSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282348 945838643 /nfs/dbraw/zinc/83/86/43/945838643.db2.gz IBLLGXFDVOLMPA-RYUDHWBXSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282348 945838622 /nfs/dbraw/zinc/83/86/22/945838622.db2.gz IBLLGXFDVOLMPA-RYUDHWBXSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282349 945837748 /nfs/dbraw/zinc/83/77/48/945837748.db2.gz IBLLGXFDVOLMPA-VXGBXAGGSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282349 945837741 /nfs/dbraw/zinc/83/77/41/945837741.db2.gz IBLLGXFDVOLMPA-VXGBXAGGSA-N 0 3 387.448 -0.197 20 0 GBADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001571282575 945852093 /nfs/dbraw/zinc/85/20/93/945852093.db2.gz LCGRKXILBHVGPR-SWLSCSKDSA-N 0 3 387.444 -0.260 20 0 GBADHN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571282666 945853086 /nfs/dbraw/zinc/85/30/86/945853086.db2.gz NEAKAUSVSDOGDU-MCIONIFRSA-N 0 3 387.448 -0.803 20 0 GBADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571282666 945853072 /nfs/dbraw/zinc/85/30/72/945853072.db2.gz NEAKAUSVSDOGDU-MCIONIFRSA-N 0 3 387.448 -0.803 20 0 GBADHN CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571282667 945853607 /nfs/dbraw/zinc/85/36/07/945853607.db2.gz NEAKAUSVSDOGDU-RDBSUJKOSA-N 0 3 387.448 -0.803 20 0 GBADHN CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571282667 945853600 /nfs/dbraw/zinc/85/36/00/945853600.db2.gz NEAKAUSVSDOGDU-RDBSUJKOSA-N 0 3 387.448 -0.803 20 0 GBADHN C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001571282928 945868135 /nfs/dbraw/zinc/86/81/35/945868135.db2.gz VXYKXUMRBATWKJ-AAEUAGOBSA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001571282928 945868121 /nfs/dbraw/zinc/86/81/21/945868121.db2.gz VXYKXUMRBATWKJ-AAEUAGOBSA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001571282929 945869733 /nfs/dbraw/zinc/86/97/33/945869733.db2.gz VXYKXUMRBATWKJ-DGCLKSJQSA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001571282929 945869720 /nfs/dbraw/zinc/86/97/20/945869720.db2.gz VXYKXUMRBATWKJ-DGCLKSJQSA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001571282930 945868823 /nfs/dbraw/zinc/86/88/23/945868823.db2.gz VXYKXUMRBATWKJ-WCQYABFASA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001571282930 945868808 /nfs/dbraw/zinc/86/88/08/945868808.db2.gz VXYKXUMRBATWKJ-WCQYABFASA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001571282931 945870842 /nfs/dbraw/zinc/87/08/42/945870842.db2.gz VXYKXUMRBATWKJ-YPMHNXCESA-N 0 3 387.448 -0.340 20 0 GBADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001571282931 945870828 /nfs/dbraw/zinc/87/08/28/945870828.db2.gz VXYKXUMRBATWKJ-YPMHNXCESA-N 0 3 387.448 -0.340 20 0 GBADHN O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571283052 945874068 /nfs/dbraw/zinc/87/40/68/945874068.db2.gz YOMFXPZRBYFBOQ-CHWSQXEVSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571283052 945874060 /nfs/dbraw/zinc/87/40/60/945874060.db2.gz YOMFXPZRBYFBOQ-CHWSQXEVSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571283053 945873187 /nfs/dbraw/zinc/87/31/87/945873187.db2.gz YOMFXPZRBYFBOQ-OLZOCXBDSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571283053 945873178 /nfs/dbraw/zinc/87/31/78/945873178.db2.gz YOMFXPZRBYFBOQ-OLZOCXBDSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571283054 945871598 /nfs/dbraw/zinc/87/15/98/945871598.db2.gz YOMFXPZRBYFBOQ-QWHCGFSZSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571283054 945871588 /nfs/dbraw/zinc/87/15/88/945871588.db2.gz YOMFXPZRBYFBOQ-QWHCGFSZSA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571283055 945871515 /nfs/dbraw/zinc/87/15/15/945871515.db2.gz YOMFXPZRBYFBOQ-STQMWFEESA-N 0 3 387.448 -0.149 20 0 GBADHN O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571283055 945871505 /nfs/dbraw/zinc/87/15/05/945871505.db2.gz YOMFXPZRBYFBOQ-STQMWFEESA-N 0 3 387.448 -0.149 20 0 GBADHN C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571283135 945876835 /nfs/dbraw/zinc/87/68/35/945876835.db2.gz ZXYVBNNEAMERMP-AAEUAGOBSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571283135 945876829 /nfs/dbraw/zinc/87/68/29/945876829.db2.gz ZXYVBNNEAMERMP-AAEUAGOBSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571283136 945877827 /nfs/dbraw/zinc/87/78/27/945877827.db2.gz ZXYVBNNEAMERMP-DGCLKSJQSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571283136 945877815 /nfs/dbraw/zinc/87/78/15/945877815.db2.gz ZXYVBNNEAMERMP-DGCLKSJQSA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571283137 945878073 /nfs/dbraw/zinc/87/80/73/945878073.db2.gz ZXYVBNNEAMERMP-WCQYABFASA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571283137 945878065 /nfs/dbraw/zinc/87/80/65/945878065.db2.gz ZXYVBNNEAMERMP-WCQYABFASA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571283138 945877070 /nfs/dbraw/zinc/87/70/70/945877070.db2.gz ZXYVBNNEAMERMP-YPMHNXCESA-N 0 3 387.448 -0.197 20 0 GBADHN C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571283138 945877055 /nfs/dbraw/zinc/87/70/55/945877055.db2.gz ZXYVBNNEAMERMP-YPMHNXCESA-N 0 3 387.448 -0.197 20 0 GBADHN CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)NC1=O ZINC001571285552 945921410 /nfs/dbraw/zinc/92/14/10/945921410.db2.gz ICGVEMOWZFHEOW-FZMZJTMJSA-N 0 3 388.407 -0.280 20 0 GBADHN CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)NC1=O ZINC001571285553 945920698 /nfs/dbraw/zinc/92/06/98/945920698.db2.gz ICGVEMOWZFHEOW-SMDDNHRTSA-N 0 3 388.407 -0.280 20 0 GBADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001571286184 945940641 /nfs/dbraw/zinc/94/06/41/945940641.db2.gz AHYJYAZLCYAZHG-GOEBONIOSA-N 0 3 388.428 -0.019 20 0 GBADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001571286185 945940284 /nfs/dbraw/zinc/94/02/84/945940284.db2.gz AHYJYAZLCYAZHG-HOCLYGCPSA-N 0 3 388.428 -0.019 20 0 GBADHN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571286647 945956195 /nfs/dbraw/zinc/95/61/95/945956195.db2.gz NOIFNLDMTPMLOU-BIGNPOOSSA-N 0 3 388.407 -0.376 20 0 GBADHN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571286647 945956191 /nfs/dbraw/zinc/95/61/91/945956191.db2.gz NOIFNLDMTPMLOU-BIGNPOOSSA-N 0 3 388.407 -0.376 20 0 GBADHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571286648 945955954 /nfs/dbraw/zinc/95/59/54/945955954.db2.gz NOIFNLDMTPMLOU-OWYVNGRQSA-N 0 3 388.407 -0.376 20 0 GBADHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571286648 945955945 /nfs/dbraw/zinc/95/59/45/945955945.db2.gz NOIFNLDMTPMLOU-OWYVNGRQSA-N 0 3 388.407 -0.376 20 0 GBADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@H]1CNC(=O)N1 ZINC001571286658 945956071 /nfs/dbraw/zinc/95/60/71/945956071.db2.gz NTGNTRWMQIIXCK-GAJTVXKRSA-N 0 3 388.407 -0.328 20 0 GBADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@H]1CNC(=O)N1 ZINC001571286658 945956066 /nfs/dbraw/zinc/95/60/66/945956066.db2.gz NTGNTRWMQIIXCK-GAJTVXKRSA-N 0 3 388.407 -0.328 20 0 GBADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@@H]1CNC(=O)N1 ZINC001571286659 945956335 /nfs/dbraw/zinc/95/63/35/945956335.db2.gz NTGNTRWMQIIXCK-WFBYXXMGSA-N 0 3 388.407 -0.328 20 0 GBADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@@H]1CNC(=O)N1 ZINC001571286659 945956332 /nfs/dbraw/zinc/95/63/32/945956332.db2.gz NTGNTRWMQIIXCK-WFBYXXMGSA-N 0 3 388.407 -0.328 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571286674 945954754 /nfs/dbraw/zinc/95/47/54/945954754.db2.gz OMLVOYSAAKMUOW-HZMBPMFUSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571286674 945954748 /nfs/dbraw/zinc/95/47/48/945954748.db2.gz OMLVOYSAAKMUOW-HZMBPMFUSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571286675 945954792 /nfs/dbraw/zinc/95/47/92/945954792.db2.gz OMLVOYSAAKMUOW-IINYFYTJSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571286675 945954787 /nfs/dbraw/zinc/95/47/87/945954787.db2.gz OMLVOYSAAKMUOW-IINYFYTJSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571286676 945955151 /nfs/dbraw/zinc/95/51/51/945955151.db2.gz OMLVOYSAAKMUOW-QMTHXVAHSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571286676 945955141 /nfs/dbraw/zinc/95/51/41/945955141.db2.gz OMLVOYSAAKMUOW-QMTHXVAHSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571286677 945955498 /nfs/dbraw/zinc/95/54/98/945955498.db2.gz OMLVOYSAAKMUOW-YGRLFVJLSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571286677 945955493 /nfs/dbraw/zinc/95/54/93/945955493.db2.gz OMLVOYSAAKMUOW-YGRLFVJLSA-N 0 3 388.407 -0.375 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571286722 945958364 /nfs/dbraw/zinc/95/83/64/945958364.db2.gz PTHHDIZUQFNBCA-BXUZGUMPSA-N 0 3 388.407 -0.232 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571286723 945958109 /nfs/dbraw/zinc/95/81/09/945958109.db2.gz PTHHDIZUQFNBCA-FZMZJTMJSA-N 0 3 388.407 -0.232 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571286724 945958388 /nfs/dbraw/zinc/95/83/88/945958388.db2.gz PTHHDIZUQFNBCA-RISCZKNCSA-N 0 3 388.407 -0.232 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571286725 945958182 /nfs/dbraw/zinc/95/81/82/945958182.db2.gz PTHHDIZUQFNBCA-SMDDNHRTSA-N 0 3 388.407 -0.232 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571286835 945960568 /nfs/dbraw/zinc/96/05/68/945960568.db2.gz SSLZTGHGRWKQPF-LERXQTSPSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571286835 945960567 /nfs/dbraw/zinc/96/05/67/945960567.db2.gz SSLZTGHGRWKQPF-LERXQTSPSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571286835 945960562 /nfs/dbraw/zinc/96/05/62/945960562.db2.gz SSLZTGHGRWKQPF-LERXQTSPSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571286835 945960557 /nfs/dbraw/zinc/96/05/57/945960557.db2.gz SSLZTGHGRWKQPF-LERXQTSPSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571286836 945960237 /nfs/dbraw/zinc/96/02/37/945960237.db2.gz SSLZTGHGRWKQPF-ZLKJLUDKSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571286836 945960231 /nfs/dbraw/zinc/96/02/31/945960231.db2.gz SSLZTGHGRWKQPF-ZLKJLUDKSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571286836 945960223 /nfs/dbraw/zinc/96/02/23/945960223.db2.gz SSLZTGHGRWKQPF-ZLKJLUDKSA-N 0 3 388.432 -0.898 20 0 GBADHN CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571286836 945960215 /nfs/dbraw/zinc/96/02/15/945960215.db2.gz SSLZTGHGRWKQPF-ZLKJLUDKSA-N 0 3 388.432 -0.898 20 0 GBADHN NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001571286875 945960722 /nfs/dbraw/zinc/96/07/22/945960722.db2.gz UICJYLCMRAMLHE-UHFFFAOYSA-N 0 3 388.432 -0.577 20 0 GBADHN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3csc(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571286916 945962665 /nfs/dbraw/zinc/96/26/65/945962665.db2.gz VPFZSIBECDDQHZ-BXKDBHETSA-N 0 3 388.413 -0.288 20 0 GBADHN O=C(C[NH2+][C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCOCC1 ZINC001571286929 945963063 /nfs/dbraw/zinc/96/30/63/945963063.db2.gz VWXYRZQPNWGQDM-ZDUSSCGKSA-N 0 3 388.432 -0.752 20 0 GBADHN O=C([C@H]1CNC(=O)N1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287077 945968296 /nfs/dbraw/zinc/96/82/96/945968296.db2.gz ZXWVFMSYFLUMGV-GXTWGEPZSA-N 0 3 388.407 -0.232 20 0 GBADHN O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287078 945967821 /nfs/dbraw/zinc/96/78/21/945967821.db2.gz ZXWVFMSYFLUMGV-JSGCOSHPSA-N 0 3 388.407 -0.232 20 0 GBADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001571288780 945993216 /nfs/dbraw/zinc/99/32/16/945993216.db2.gz UAALPHMQIHOQDQ-CHWSQXEVSA-N 0 3 388.432 -0.706 20 0 GBADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001571288881 945993016 /nfs/dbraw/zinc/99/30/16/945993016.db2.gz UAALPHMQIHOQDQ-OLZOCXBDSA-N 0 3 388.432 -0.706 20 0 GBADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001571288882 945994143 /nfs/dbraw/zinc/99/41/43/945994143.db2.gz UAALPHMQIHOQDQ-QWHCGFSZSA-N 0 3 388.432 -0.706 20 0 GBADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001571288883 945994052 /nfs/dbraw/zinc/99/40/52/945994052.db2.gz UAALPHMQIHOQDQ-STQMWFEESA-N 0 3 388.432 -0.706 20 0 GBADHN O=C(C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCOCC1 ZINC001571288957 945996193 /nfs/dbraw/zinc/99/61/93/945996193.db2.gz VHFBIAUQWPATFW-UHFFFAOYSA-N 0 3 388.432 -0.848 20 0 GBADHN CC(C)[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571294625 946140653 /nfs/dbraw/zinc/14/06/53/946140653.db2.gz JUXPBVGVSDRUEH-DOMZBBRYSA-N 0 3 389.464 -0.118 20 0 GBADHN CC(C)[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571294628 946140998 /nfs/dbraw/zinc/14/09/98/946140998.db2.gz JUXPBVGVSDRUEH-IUODEOHRSA-N 0 3 389.464 -0.118 20 0 GBADHN CC(C)[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571294629 946140737 /nfs/dbraw/zinc/14/07/37/946140737.db2.gz JUXPBVGVSDRUEH-SWLSCSKDSA-N 0 3 389.464 -0.118 20 0 GBADHN CC(C)[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571294631 946141291 /nfs/dbraw/zinc/14/12/91/946141291.db2.gz JUXPBVGVSDRUEH-WFASDCNBSA-N 0 3 389.464 -0.118 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CC[N@H+]1C ZINC001571295686 946171380 /nfs/dbraw/zinc/17/13/80/946171380.db2.gz CFIMPKUJGQZKTQ-IMJCEVDSSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CC[N@@H+]1C ZINC001571295686 946171376 /nfs/dbraw/zinc/17/13/76/946171376.db2.gz CFIMPKUJGQZKTQ-IMJCEVDSSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CC[N@H+]1C ZINC001571295686 946171368 /nfs/dbraw/zinc/17/13/68/946171368.db2.gz CFIMPKUJGQZKTQ-IMJCEVDSSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CC[N@@H+]1C ZINC001571295686 946171362 /nfs/dbraw/zinc/17/13/62/946171362.db2.gz CFIMPKUJGQZKTQ-IMJCEVDSSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)CC[N@H+]1C ZINC001571295687 946171047 /nfs/dbraw/zinc/17/10/47/946171047.db2.gz CFIMPKUJGQZKTQ-WGEPELCKSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)CC[N@@H+]1C ZINC001571295687 946171039 /nfs/dbraw/zinc/17/10/39/946171039.db2.gz CFIMPKUJGQZKTQ-WGEPELCKSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)CC[N@H+]1C ZINC001571295687 946171032 /nfs/dbraw/zinc/17/10/32/946171032.db2.gz CFIMPKUJGQZKTQ-WGEPELCKSA-N 0 3 390.423 -0.593 20 0 GBADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)CC[N@@H+]1C ZINC001571295687 946171028 /nfs/dbraw/zinc/17/10/28/946171028.db2.gz CFIMPKUJGQZKTQ-WGEPELCKSA-N 0 3 390.423 -0.593 20 0 GBADHN CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)[NH+](C)C ZINC001571295787 946174017 /nfs/dbraw/zinc/17/40/17/946174017.db2.gz GBEUDKIIKMHHBE-HZSPNIEDSA-N 0 3 390.448 -0.918 20 0 GBADHN CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)[NH+](C)C ZINC001571295788 946174327 /nfs/dbraw/zinc/17/43/27/946174327.db2.gz GBEUDKIIKMHHBE-RDBSUJKOSA-N 0 3 390.448 -0.918 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296407 946194304 /nfs/dbraw/zinc/19/43/04/946194304.db2.gz XCMWZYSYYKOMJY-AAEUAGOBSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296407 946194299 /nfs/dbraw/zinc/19/42/99/946194299.db2.gz XCMWZYSYYKOMJY-AAEUAGOBSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296407 946194291 /nfs/dbraw/zinc/19/42/91/946194291.db2.gz XCMWZYSYYKOMJY-AAEUAGOBSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296407 946194276 /nfs/dbraw/zinc/19/42/76/946194276.db2.gz XCMWZYSYYKOMJY-AAEUAGOBSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296408 946193690 /nfs/dbraw/zinc/19/36/90/946193690.db2.gz XCMWZYSYYKOMJY-DGCLKSJQSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296408 946193683 /nfs/dbraw/zinc/19/36/83/946193683.db2.gz XCMWZYSYYKOMJY-DGCLKSJQSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296408 946193677 /nfs/dbraw/zinc/19/36/77/946193677.db2.gz XCMWZYSYYKOMJY-DGCLKSJQSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296408 946193667 /nfs/dbraw/zinc/19/36/67/946193667.db2.gz XCMWZYSYYKOMJY-DGCLKSJQSA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296409 946193540 /nfs/dbraw/zinc/19/35/40/946193540.db2.gz XCMWZYSYYKOMJY-WCQYABFASA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296409 946193534 /nfs/dbraw/zinc/19/35/34/946193534.db2.gz XCMWZYSYYKOMJY-WCQYABFASA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296409 946193528 /nfs/dbraw/zinc/19/35/28/946193528.db2.gz XCMWZYSYYKOMJY-WCQYABFASA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296409 946193520 /nfs/dbraw/zinc/19/35/20/946193520.db2.gz XCMWZYSYYKOMJY-WCQYABFASA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296410 946194409 /nfs/dbraw/zinc/19/44/09/946194409.db2.gz XCMWZYSYYKOMJY-YPMHNXCESA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296410 946194402 /nfs/dbraw/zinc/19/44/02/946194402.db2.gz XCMWZYSYYKOMJY-YPMHNXCESA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296410 946194394 /nfs/dbraw/zinc/19/43/94/946194394.db2.gz XCMWZYSYYKOMJY-YPMHNXCESA-N 0 3 390.423 -0.008 20 0 GBADHN C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296410 946194385 /nfs/dbraw/zinc/19/43/85/946194385.db2.gz XCMWZYSYYKOMJY-YPMHNXCESA-N 0 3 390.423 -0.008 20 0 GBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571297818 946196772 /nfs/dbraw/zinc/19/67/72/946196772.db2.gz AKKWFALDWSUZHT-ABAIWWIYSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571297818 946196763 /nfs/dbraw/zinc/19/67/63/946196763.db2.gz AKKWFALDWSUZHT-ABAIWWIYSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571297819 946195941 /nfs/dbraw/zinc/19/59/41/946195941.db2.gz AKKWFALDWSUZHT-IAQYHMDHSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571297819 946195938 /nfs/dbraw/zinc/19/59/38/946195938.db2.gz AKKWFALDWSUZHT-IAQYHMDHSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571297820 946196454 /nfs/dbraw/zinc/19/64/54/946196454.db2.gz AKKWFALDWSUZHT-NHYWBVRUSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571297820 946196446 /nfs/dbraw/zinc/19/64/46/946196446.db2.gz AKKWFALDWSUZHT-NHYWBVRUSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571297821 946197662 /nfs/dbraw/zinc/19/76/62/946197662.db2.gz AKKWFALDWSUZHT-XHDPSFHLSA-N 0 3 390.469 -0.152 20 0 GBADHN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571297821 946197657 /nfs/dbraw/zinc/19/76/57/946197657.db2.gz AKKWFALDWSUZHT-XHDPSFHLSA-N 0 3 390.469 -0.152 20 0 GBADHN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571297929 946202051 /nfs/dbraw/zinc/20/20/51/946202051.db2.gz DOYFPAWLOZEVDL-KBPBESRZSA-N 0 3 390.469 -0.008 20 0 GBADHN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571297929 946202041 /nfs/dbraw/zinc/20/20/41/946202041.db2.gz DOYFPAWLOZEVDL-KBPBESRZSA-N 0 3 390.469 -0.008 20 0 GBADHN O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571297930 946200824 /nfs/dbraw/zinc/20/08/24/946200824.db2.gz DOYFPAWLOZEVDL-KGLIPLIRSA-N 0 3 390.469 -0.008 20 0 GBADHN O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571297930 946200817 /nfs/dbraw/zinc/20/08/17/946200817.db2.gz DOYFPAWLOZEVDL-KGLIPLIRSA-N 0 3 390.469 -0.008 20 0 GBADHN O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571297969 946202024 /nfs/dbraw/zinc/20/20/24/946202024.db2.gz FUQDLZWRMUKFGU-GFCCVEGCSA-N 0 3 390.469 -0.151 20 0 GBADHN O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571297969 946202014 /nfs/dbraw/zinc/20/20/14/946202014.db2.gz FUQDLZWRMUKFGU-GFCCVEGCSA-N 0 3 390.469 -0.151 20 0 GBADHN O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571297970 946202478 /nfs/dbraw/zinc/20/24/78/946202478.db2.gz FUQDLZWRMUKFGU-LBPRGKRZSA-N 0 3 390.469 -0.151 20 0 GBADHN O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571297970 946202469 /nfs/dbraw/zinc/20/24/69/946202469.db2.gz FUQDLZWRMUKFGU-LBPRGKRZSA-N 0 3 390.469 -0.151 20 0 GBADHN O=C(C1CS(=O)(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571299297 946245803 /nfs/dbraw/zinc/24/58/03/946245803.db2.gz VWCUTUBWCUTEQR-UHFFFAOYSA-N 0 3 390.469 -0.008 20 0 GBADHN O=C(C1CS(=O)(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571299297 946245792 /nfs/dbraw/zinc/24/57/92/946245792.db2.gz VWCUTUBWCUTEQR-UHFFFAOYSA-N 0 3 390.469 -0.008 20 0 GBADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[n-]n5)c4)C[C@H]32)cc1=O ZINC001571309800 946453755 /nfs/dbraw/zinc/45/37/55/946453755.db2.gz LECPUSUXJQBJEQ-HALDLXJZSA-N 0 3 392.423 -0.179 20 0 GBADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[n-]n5)c4)C[C@H]32)cc1=O ZINC001571309800 946453748 /nfs/dbraw/zinc/45/37/48/946453748.db2.gz LECPUSUXJQBJEQ-HALDLXJZSA-N 0 3 392.423 -0.179 20 0 GBADHN Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC001571317420 946608690 /nfs/dbraw/zinc/60/86/90/946608690.db2.gz HGCSMDPXGOIINI-DDHJBXDOSA-N 0 3 392.489 -0.362 20 0 GBADHN Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC001571317420 946608684 /nfs/dbraw/zinc/60/86/84/946608684.db2.gz HGCSMDPXGOIINI-DDHJBXDOSA-N 0 3 392.489 -0.362 20 0 GBADHN Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571317421 946609511 /nfs/dbraw/zinc/60/95/11/946609511.db2.gz HGCSMDPXGOIINI-KKOKHZNYSA-N 0 3 392.489 -0.362 20 0 GBADHN Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571317421 946609506 /nfs/dbraw/zinc/60/95/06/946609506.db2.gz HGCSMDPXGOIINI-KKOKHZNYSA-N 0 3 392.489 -0.362 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573387854 947913167 /nfs/dbraw/zinc/91/31/67/947913167.db2.gz FEHMZPHNCNMGKO-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573387854 947913161 /nfs/dbraw/zinc/91/31/61/947913161.db2.gz FEHMZPHNCNMGKO-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573387854 947913154 /nfs/dbraw/zinc/91/31/54/947913154.db2.gz FEHMZPHNCNMGKO-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573387854 947913146 /nfs/dbraw/zinc/91/31/46/947913146.db2.gz FEHMZPHNCNMGKO-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573387855 947912121 /nfs/dbraw/zinc/91/21/21/947912121.db2.gz FEHMZPHNCNMGKO-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573387855 947912117 /nfs/dbraw/zinc/91/21/17/947912117.db2.gz FEHMZPHNCNMGKO-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573387855 947912115 /nfs/dbraw/zinc/91/21/15/947912115.db2.gz FEHMZPHNCNMGKO-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573387855 947912105 /nfs/dbraw/zinc/91/21/05/947912105.db2.gz FEHMZPHNCNMGKO-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573389438 947924729 /nfs/dbraw/zinc/92/47/29/947924729.db2.gz QVRWJQKKYHSQTK-HNNXBMFYSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573389438 947924727 /nfs/dbraw/zinc/92/47/27/947924727.db2.gz QVRWJQKKYHSQTK-HNNXBMFYSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573389440 947923637 /nfs/dbraw/zinc/92/36/37/947923637.db2.gz QVRWJQKKYHSQTK-OAHLLOKOSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573389440 947923632 /nfs/dbraw/zinc/92/36/32/947923632.db2.gz QVRWJQKKYHSQTK-OAHLLOKOSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573390611 947930550 /nfs/dbraw/zinc/93/05/50/947930550.db2.gz YXSWYKNYOSALJJ-HNNXBMFYSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573390611 947930544 /nfs/dbraw/zinc/93/05/44/947930544.db2.gz YXSWYKNYOSALJJ-HNNXBMFYSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573390614 947929933 /nfs/dbraw/zinc/92/99/33/947929933.db2.gz YXSWYKNYOSALJJ-OAHLLOKOSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573390614 947929925 /nfs/dbraw/zinc/92/99/25/947929925.db2.gz YXSWYKNYOSALJJ-OAHLLOKOSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573390734 947932483 /nfs/dbraw/zinc/93/24/83/947932483.db2.gz BPXADGAVABHPHT-HNNXBMFYSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573390734 947932477 /nfs/dbraw/zinc/93/24/77/947932477.db2.gz BPXADGAVABHPHT-HNNXBMFYSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573390739 947932213 /nfs/dbraw/zinc/93/22/13/947932213.db2.gz BPXADGAVABHPHT-OAHLLOKOSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573390739 947932205 /nfs/dbraw/zinc/93/22/05/947932205.db2.gz BPXADGAVABHPHT-OAHLLOKOSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573392027 947940342 /nfs/dbraw/zinc/94/03/42/947940342.db2.gz PWPFULZVXIVYBD-INIZCTEOSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573392027 947940334 /nfs/dbraw/zinc/94/03/34/947940334.db2.gz PWPFULZVXIVYBD-INIZCTEOSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573392048 947940146 /nfs/dbraw/zinc/94/01/46/947940146.db2.gz PWPFULZVXIVYBD-MRXNPFEDSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573392048 947940141 /nfs/dbraw/zinc/94/01/41/947940141.db2.gz PWPFULZVXIVYBD-MRXNPFEDSA-N 0 3 387.444 -0.338 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573402316 948002038 /nfs/dbraw/zinc/00/20/38/948002038.db2.gz FUZWBYFCKUHBOM-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573402316 948002027 /nfs/dbraw/zinc/00/20/27/948002027.db2.gz FUZWBYFCKUHBOM-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573402318 948002231 /nfs/dbraw/zinc/00/22/31/948002231.db2.gz FUZWBYFCKUHBOM-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573402318 948002222 /nfs/dbraw/zinc/00/22/22/948002222.db2.gz FUZWBYFCKUHBOM-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573403464 948010605 /nfs/dbraw/zinc/01/06/05/948010605.db2.gz MZTYNQBSCMQQMO-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573403465 948011049 /nfs/dbraw/zinc/01/10/49/948011049.db2.gz MZTYNQBSCMQQMO-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573403847 948014843 /nfs/dbraw/zinc/01/48/43/948014843.db2.gz OXVFORTWIPWGKX-CYBMUJFWSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573403847 948014839 /nfs/dbraw/zinc/01/48/39/948014839.db2.gz OXVFORTWIPWGKX-CYBMUJFWSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573403848 948016312 /nfs/dbraw/zinc/01/63/12/948016312.db2.gz OXVFORTWIPWGKX-ZDUSSCGKSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573403848 948016303 /nfs/dbraw/zinc/01/63/03/948016303.db2.gz OXVFORTWIPWGKX-ZDUSSCGKSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573404549 948025816 /nfs/dbraw/zinc/02/58/16/948025816.db2.gz UOKKOPUFMYJQDE-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573404550 948026842 /nfs/dbraw/zinc/02/68/42/948026842.db2.gz UOKKOPUFMYJQDE-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405967 948051499 /nfs/dbraw/zinc/05/14/99/948051499.db2.gz ZPMRJLITGUCZJG-GOSISDBHSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405967 948051489 /nfs/dbraw/zinc/05/14/89/948051489.db2.gz ZPMRJLITGUCZJG-GOSISDBHSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405967 948051480 /nfs/dbraw/zinc/05/14/80/948051480.db2.gz ZPMRJLITGUCZJG-GOSISDBHSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405967 948051473 /nfs/dbraw/zinc/05/14/73/948051473.db2.gz ZPMRJLITGUCZJG-GOSISDBHSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405968 948051739 /nfs/dbraw/zinc/05/17/39/948051739.db2.gz ZPMRJLITGUCZJG-SFHVURJKSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405968 948051730 /nfs/dbraw/zinc/05/17/30/948051730.db2.gz ZPMRJLITGUCZJG-SFHVURJKSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405968 948051723 /nfs/dbraw/zinc/05/17/23/948051723.db2.gz ZPMRJLITGUCZJG-SFHVURJKSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405968 948051716 /nfs/dbraw/zinc/05/17/16/948051716.db2.gz ZPMRJLITGUCZJG-SFHVURJKSA-N 0 3 387.444 -0.602 20 0 GBADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573414110 948090680 /nfs/dbraw/zinc/09/06/80/948090680.db2.gz HKKBUHLMQYTWBR-INIZCTEOSA-N 0 3 387.444 -0.746 20 0 GBADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573414110 948090671 /nfs/dbraw/zinc/09/06/71/948090671.db2.gz HKKBUHLMQYTWBR-INIZCTEOSA-N 0 3 387.444 -0.746 20 0 GBADHN CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573414113 948090170 /nfs/dbraw/zinc/09/01/70/948090170.db2.gz HKKBUHLMQYTWBR-MRXNPFEDSA-N 0 3 387.444 -0.746 20 0 GBADHN CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573414113 948090159 /nfs/dbraw/zinc/09/01/59/948090159.db2.gz HKKBUHLMQYTWBR-MRXNPFEDSA-N 0 3 387.444 -0.746 20 0 GBADHN CC(=O)N1CC(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573415185 948103378 /nfs/dbraw/zinc/10/33/78/948103378.db2.gz WEEXTJNWONGJHR-UHFFFAOYSA-N 0 3 387.444 -0.745 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573421500 948138699 /nfs/dbraw/zinc/13/86/99/948138699.db2.gz GQQBDSZZRLOOJR-CYBMUJFWSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573421500 948138696 /nfs/dbraw/zinc/13/86/96/948138696.db2.gz GQQBDSZZRLOOJR-CYBMUJFWSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573421505 948138560 /nfs/dbraw/zinc/13/85/60/948138560.db2.gz GQQBDSZZRLOOJR-ZDUSSCGKSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573421505 948138555 /nfs/dbraw/zinc/13/85/55/948138555.db2.gz GQQBDSZZRLOOJR-ZDUSSCGKSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573423058 948144055 /nfs/dbraw/zinc/14/40/55/948144055.db2.gz MJWZWWSVZDKPFW-CYBMUJFWSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573423059 948144248 /nfs/dbraw/zinc/14/42/48/948144248.db2.gz MJWZWWSVZDKPFW-ZDUSSCGKSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573423836 948146284 /nfs/dbraw/zinc/14/62/84/948146284.db2.gz PYCLTEPGHFJDJW-CYBMUJFWSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573423839 948145059 /nfs/dbraw/zinc/14/50/59/948145059.db2.gz PYCLTEPGHFJDJW-ZDUSSCGKSA-N 0 3 391.407 -0.949 20 0 GBADHN CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)C1 ZINC001573426646 948158908 /nfs/dbraw/zinc/15/89/08/948158908.db2.gz NLCGSNGBRLMDDA-FVQHAEBGSA-N 0 3 381.440 -0.109 20 0 GBADHN CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)C1 ZINC001573426646 948158901 /nfs/dbraw/zinc/15/89/01/948158901.db2.gz NLCGSNGBRLMDDA-FVQHAEBGSA-N 0 3 381.440 -0.109 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573446620 948333794 /nfs/dbraw/zinc/33/37/94/948333794.db2.gz KPVPXTWKQRTEAZ-HZPDHXFCSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573446620 948333788 /nfs/dbraw/zinc/33/37/88/948333788.db2.gz KPVPXTWKQRTEAZ-HZPDHXFCSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573446621 948333223 /nfs/dbraw/zinc/33/32/23/948333223.db2.gz KPVPXTWKQRTEAZ-JKSUJKDBSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573446621 948333216 /nfs/dbraw/zinc/33/32/16/948333216.db2.gz KPVPXTWKQRTEAZ-JKSUJKDBSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573446712 948335657 /nfs/dbraw/zinc/33/56/57/948335657.db2.gz NTVNHRHHZHRRJQ-GDBMZVCRSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573446712 948335653 /nfs/dbraw/zinc/33/56/53/948335653.db2.gz NTVNHRHHZHRRJQ-GDBMZVCRSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573446713 948336320 /nfs/dbraw/zinc/33/63/20/948336320.db2.gz NTVNHRHHZHRRJQ-GOEBONIOSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573446713 948336313 /nfs/dbraw/zinc/33/63/13/948336313.db2.gz NTVNHRHHZHRRJQ-GOEBONIOSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573447089 948341314 /nfs/dbraw/zinc/34/13/14/948341314.db2.gz UWMRSBOEWPFBES-HZPDHXFCSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573447089 948341307 /nfs/dbraw/zinc/34/13/07/948341307.db2.gz UWMRSBOEWPFBES-HZPDHXFCSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573447090 948341267 /nfs/dbraw/zinc/34/12/67/948341267.db2.gz UWMRSBOEWPFBES-JKSUJKDBSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573447090 948341262 /nfs/dbraw/zinc/34/12/62/948341262.db2.gz UWMRSBOEWPFBES-JKSUJKDBSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573455598 945885587 /nfs/dbraw/zinc/88/55/87/945885587.db2.gz FOELSUVELWMOQZ-AWEZNQCLSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573455598 945885575 /nfs/dbraw/zinc/88/55/75/945885575.db2.gz FOELSUVELWMOQZ-AWEZNQCLSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573455601 945885669 /nfs/dbraw/zinc/88/56/69/945885669.db2.gz FOELSUVELWMOQZ-CQSZACIVSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573455601 945885658 /nfs/dbraw/zinc/88/56/58/945885658.db2.gz FOELSUVELWMOQZ-CQSZACIVSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573455674 945886065 /nfs/dbraw/zinc/88/60/65/945886065.db2.gz GIEVMTKTJQKWGI-HNNXBMFYSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573455674 945886055 /nfs/dbraw/zinc/88/60/55/945886055.db2.gz GIEVMTKTJQKWGI-HNNXBMFYSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573455675 945885256 /nfs/dbraw/zinc/88/52/56/945885256.db2.gz GIEVMTKTJQKWGI-OAHLLOKOSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573455675 945885247 /nfs/dbraw/zinc/88/52/47/945885247.db2.gz GIEVMTKTJQKWGI-OAHLLOKOSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573457043 945902222 /nfs/dbraw/zinc/90/22/22/945902222.db2.gz SQUPYBNRUPIXBJ-HNNXBMFYSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573457043 945902214 /nfs/dbraw/zinc/90/22/14/945902214.db2.gz SQUPYBNRUPIXBJ-HNNXBMFYSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573457044 945903509 /nfs/dbraw/zinc/90/35/09/945903509.db2.gz SQUPYBNRUPIXBJ-OAHLLOKOSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573457044 945903500 /nfs/dbraw/zinc/90/35/00/945903500.db2.gz SQUPYBNRUPIXBJ-OAHLLOKOSA-N 0 3 389.460 -0.310 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573463325 945953680 /nfs/dbraw/zinc/95/36/80/945953680.db2.gz UVDWGLVPENJTIR-CYBMUJFWSA-N 0 3 375.433 -0.652 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573463325 945953674 /nfs/dbraw/zinc/95/36/74/945953674.db2.gz UVDWGLVPENJTIR-CYBMUJFWSA-N 0 3 375.433 -0.652 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573463326 945953624 /nfs/dbraw/zinc/95/36/24/945953624.db2.gz UVDWGLVPENJTIR-ZDUSSCGKSA-N 0 3 375.433 -0.652 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573463326 945953621 /nfs/dbraw/zinc/95/36/21/945953621.db2.gz UVDWGLVPENJTIR-ZDUSSCGKSA-N 0 3 375.433 -0.652 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573467294 945975987 /nfs/dbraw/zinc/97/59/87/945975987.db2.gz BBVNFAGCZKPWFJ-ABAIWWIYSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573467294 945975978 /nfs/dbraw/zinc/97/59/78/945975978.db2.gz BBVNFAGCZKPWFJ-ABAIWWIYSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573467295 945976972 /nfs/dbraw/zinc/97/69/72/945976972.db2.gz BBVNFAGCZKPWFJ-IAQYHMDHSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573467295 945976962 /nfs/dbraw/zinc/97/69/62/945976962.db2.gz BBVNFAGCZKPWFJ-IAQYHMDHSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573467296 945977200 /nfs/dbraw/zinc/97/72/00/945977200.db2.gz BBVNFAGCZKPWFJ-NHYWBVRUSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573467296 945977186 /nfs/dbraw/zinc/97/71/86/945977186.db2.gz BBVNFAGCZKPWFJ-NHYWBVRUSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573467297 945976366 /nfs/dbraw/zinc/97/63/66/945976366.db2.gz BBVNFAGCZKPWFJ-XHDPSFHLSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573467297 945976353 /nfs/dbraw/zinc/97/63/53/945976353.db2.gz BBVNFAGCZKPWFJ-XHDPSFHLSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467964 945988571 /nfs/dbraw/zinc/98/85/71/945988571.db2.gz JYWGLUYAXSFUDU-DOMZBBRYSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467964 945988566 /nfs/dbraw/zinc/98/85/66/945988566.db2.gz JYWGLUYAXSFUDU-DOMZBBRYSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467964 945988557 /nfs/dbraw/zinc/98/85/57/945988557.db2.gz JYWGLUYAXSFUDU-DOMZBBRYSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467964 945988552 /nfs/dbraw/zinc/98/85/52/945988552.db2.gz JYWGLUYAXSFUDU-DOMZBBRYSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467965 945988297 /nfs/dbraw/zinc/98/82/97/945988297.db2.gz JYWGLUYAXSFUDU-IUODEOHRSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467965 945988266 /nfs/dbraw/zinc/98/82/66/945988266.db2.gz JYWGLUYAXSFUDU-IUODEOHRSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467965 945988259 /nfs/dbraw/zinc/98/82/59/945988259.db2.gz JYWGLUYAXSFUDU-IUODEOHRSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467965 945988257 /nfs/dbraw/zinc/98/82/57/945988257.db2.gz JYWGLUYAXSFUDU-IUODEOHRSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467967 945988208 /nfs/dbraw/zinc/98/82/08/945988208.db2.gz JYWGLUYAXSFUDU-SWLSCSKDSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467967 945988202 /nfs/dbraw/zinc/98/82/02/945988202.db2.gz JYWGLUYAXSFUDU-SWLSCSKDSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467967 945988198 /nfs/dbraw/zinc/98/81/98/945988198.db2.gz JYWGLUYAXSFUDU-SWLSCSKDSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467967 945988195 /nfs/dbraw/zinc/98/81/95/945988195.db2.gz JYWGLUYAXSFUDU-SWLSCSKDSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467968 945988789 /nfs/dbraw/zinc/98/87/89/945988789.db2.gz JYWGLUYAXSFUDU-WFASDCNBSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573467968 945988781 /nfs/dbraw/zinc/98/87/81/945988781.db2.gz JYWGLUYAXSFUDU-WFASDCNBSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467968 945988776 /nfs/dbraw/zinc/98/87/76/945988776.db2.gz JYWGLUYAXSFUDU-WFASDCNBSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573467968 945988768 /nfs/dbraw/zinc/98/87/68/945988768.db2.gz JYWGLUYAXSFUDU-WFASDCNBSA-N 0 3 389.460 -0.358 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573467978 945988163 /nfs/dbraw/zinc/98/81/63/945988163.db2.gz KBVDKGYQKBWPHX-ABAIWWIYSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573467978 945988159 /nfs/dbraw/zinc/98/81/59/945988159.db2.gz KBVDKGYQKBWPHX-ABAIWWIYSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573467979 945987971 /nfs/dbraw/zinc/98/79/71/945987971.db2.gz KBVDKGYQKBWPHX-IAQYHMDHSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573467979 945987968 /nfs/dbraw/zinc/98/79/68/945987968.db2.gz KBVDKGYQKBWPHX-IAQYHMDHSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573467981 945988042 /nfs/dbraw/zinc/98/80/42/945988042.db2.gz KBVDKGYQKBWPHX-NHYWBVRUSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573467981 945988034 /nfs/dbraw/zinc/98/80/34/945988034.db2.gz KBVDKGYQKBWPHX-NHYWBVRUSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573467985 945988314 /nfs/dbraw/zinc/98/83/14/945988314.db2.gz KBVDKGYQKBWPHX-XHDPSFHLSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573467985 945988307 /nfs/dbraw/zinc/98/83/07/945988307.db2.gz KBVDKGYQKBWPHX-XHDPSFHLSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573468614 945998600 /nfs/dbraw/zinc/99/86/00/945998600.db2.gz PXLBEAXEINOXTE-BXUZGUMPSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573468614 945998596 /nfs/dbraw/zinc/99/85/96/945998596.db2.gz PXLBEAXEINOXTE-BXUZGUMPSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573468615 945998391 /nfs/dbraw/zinc/99/83/91/945998391.db2.gz PXLBEAXEINOXTE-FZMZJTMJSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573468615 945998383 /nfs/dbraw/zinc/99/83/83/945998383.db2.gz PXLBEAXEINOXTE-FZMZJTMJSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573468616 945997619 /nfs/dbraw/zinc/99/76/19/945997619.db2.gz PXLBEAXEINOXTE-RISCZKNCSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573468616 945997611 /nfs/dbraw/zinc/99/76/11/945997611.db2.gz PXLBEAXEINOXTE-RISCZKNCSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573468618 945998265 /nfs/dbraw/zinc/99/82/65/945998265.db2.gz PXLBEAXEINOXTE-SMDDNHRTSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573468618 945998257 /nfs/dbraw/zinc/99/82/57/945998257.db2.gz PXLBEAXEINOXTE-SMDDNHRTSA-N 0 3 375.433 -0.700 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473403 946079009 /nfs/dbraw/zinc/07/90/09/946079009.db2.gz CFRLMIGLBHXKJA-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473403 946078996 /nfs/dbraw/zinc/07/89/96/946078996.db2.gz CFRLMIGLBHXKJA-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473406 946079193 /nfs/dbraw/zinc/07/91/93/946079193.db2.gz CFRLMIGLBHXKJA-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473406 946079180 /nfs/dbraw/zinc/07/91/80/946079180.db2.gz CFRLMIGLBHXKJA-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473409 946078313 /nfs/dbraw/zinc/07/83/13/946078313.db2.gz CFRLMIGLBHXKJA-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473409 946078301 /nfs/dbraw/zinc/07/83/01/946078301.db2.gz CFRLMIGLBHXKJA-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473412 946078592 /nfs/dbraw/zinc/07/85/92/946078592.db2.gz CFRLMIGLBHXKJA-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473412 946078578 /nfs/dbraw/zinc/07/85/78/946078578.db2.gz CFRLMIGLBHXKJA-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573474103 946086135 /nfs/dbraw/zinc/08/61/35/946086135.db2.gz IKCCZEHFSWUZMZ-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573474106 946086357 /nfs/dbraw/zinc/08/63/57/946086357.db2.gz IKCCZEHFSWUZMZ-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573474108 946086897 /nfs/dbraw/zinc/08/68/97/946086897.db2.gz IKCCZEHFSWUZMZ-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573474112 946086543 /nfs/dbraw/zinc/08/65/43/946086543.db2.gz IKCCZEHFSWUZMZ-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573475744 946104654 /nfs/dbraw/zinc/10/46/54/946104654.db2.gz XCVYXZZSGUAORI-DOMZBBRYSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573475744 946104647 /nfs/dbraw/zinc/10/46/47/946104647.db2.gz XCVYXZZSGUAORI-DOMZBBRYSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573475748 946104059 /nfs/dbraw/zinc/10/40/59/946104059.db2.gz XCVYXZZSGUAORI-IUODEOHRSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573475748 946104053 /nfs/dbraw/zinc/10/40/53/946104053.db2.gz XCVYXZZSGUAORI-IUODEOHRSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573475752 946105303 /nfs/dbraw/zinc/10/53/03/946105303.db2.gz XCVYXZZSGUAORI-SWLSCSKDSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573475752 946105299 /nfs/dbraw/zinc/10/52/99/946105299.db2.gz XCVYXZZSGUAORI-SWLSCSKDSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573475754 946104485 /nfs/dbraw/zinc/10/44/85/946104485.db2.gz XCVYXZZSGUAORI-WFASDCNBSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573475754 946104483 /nfs/dbraw/zinc/10/44/83/946104483.db2.gz XCVYXZZSGUAORI-WFASDCNBSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573479354 946156327 /nfs/dbraw/zinc/15/63/27/946156327.db2.gz BXHPHELTPDGTKK-BXKDBHETSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573479354 946156322 /nfs/dbraw/zinc/15/63/22/946156322.db2.gz BXHPHELTPDGTKK-BXKDBHETSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573479355 946157132 /nfs/dbraw/zinc/15/71/32/946157132.db2.gz BXHPHELTPDGTKK-CABZTGNLSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573479355 946157123 /nfs/dbraw/zinc/15/71/23/946157123.db2.gz BXHPHELTPDGTKK-CABZTGNLSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573479356 946155885 /nfs/dbraw/zinc/15/58/85/946155885.db2.gz BXHPHELTPDGTKK-JOYOIKCWSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573479356 946155879 /nfs/dbraw/zinc/15/58/79/946155879.db2.gz BXHPHELTPDGTKK-JOYOIKCWSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573479357 946157001 /nfs/dbraw/zinc/15/70/01/946157001.db2.gz BXHPHELTPDGTKK-SKDRFNHKSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573479357 946156994 /nfs/dbraw/zinc/15/69/94/946156994.db2.gz BXHPHELTPDGTKK-SKDRFNHKSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479818 946168140 /nfs/dbraw/zinc/16/81/40/946168140.db2.gz HRJVMFJYTDEIDZ-KPZWWZAWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479818 946168133 /nfs/dbraw/zinc/16/81/33/946168133.db2.gz HRJVMFJYTDEIDZ-KPZWWZAWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479818 946168125 /nfs/dbraw/zinc/16/81/25/946168125.db2.gz HRJVMFJYTDEIDZ-KPZWWZAWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479818 946168120 /nfs/dbraw/zinc/16/81/20/946168120.db2.gz HRJVMFJYTDEIDZ-KPZWWZAWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479819 946169082 /nfs/dbraw/zinc/16/90/82/946169082.db2.gz HRJVMFJYTDEIDZ-KZULUSFZSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479819 946169076 /nfs/dbraw/zinc/16/90/76/946169076.db2.gz HRJVMFJYTDEIDZ-KZULUSFZSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479819 946169070 /nfs/dbraw/zinc/16/90/70/946169070.db2.gz HRJVMFJYTDEIDZ-KZULUSFZSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479819 946169064 /nfs/dbraw/zinc/16/90/64/946169064.db2.gz HRJVMFJYTDEIDZ-KZULUSFZSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479820 946168677 /nfs/dbraw/zinc/16/86/77/946168677.db2.gz HRJVMFJYTDEIDZ-SGTLLEGYSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479820 946168674 /nfs/dbraw/zinc/16/86/74/946168674.db2.gz HRJVMFJYTDEIDZ-SGTLLEGYSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479820 946168672 /nfs/dbraw/zinc/16/86/72/946168672.db2.gz HRJVMFJYTDEIDZ-SGTLLEGYSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479820 946168670 /nfs/dbraw/zinc/16/86/70/946168670.db2.gz HRJVMFJYTDEIDZ-SGTLLEGYSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479821 946168033 /nfs/dbraw/zinc/16/80/33/946168033.db2.gz HRJVMFJYTDEIDZ-XIKOKIGWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479821 946168028 /nfs/dbraw/zinc/16/80/28/946168028.db2.gz HRJVMFJYTDEIDZ-XIKOKIGWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479821 946168024 /nfs/dbraw/zinc/16/80/24/946168024.db2.gz HRJVMFJYTDEIDZ-XIKOKIGWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479821 946168018 /nfs/dbraw/zinc/16/80/18/946168018.db2.gz HRJVMFJYTDEIDZ-XIKOKIGWSA-N 0 3 387.444 -0.556 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480733 946177137 /nfs/dbraw/zinc/17/71/37/946177137.db2.gz MENOMQDQSMOPJX-BXKDBHETSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480734 946177309 /nfs/dbraw/zinc/17/73/09/946177309.db2.gz MENOMQDQSMOPJX-CABZTGNLSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480735 946178633 /nfs/dbraw/zinc/17/86/33/946178633.db2.gz MENOMQDQSMOPJX-JOYOIKCWSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480736 946177034 /nfs/dbraw/zinc/17/70/34/946177034.db2.gz MENOMQDQSMOPJX-SKDRFNHKSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481611 946184430 /nfs/dbraw/zinc/18/44/30/946184430.db2.gz PXRQNRWNLQNWHK-NOZJJQNGSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481611 946184424 /nfs/dbraw/zinc/18/44/24/946184424.db2.gz PXRQNRWNLQNWHK-NOZJJQNGSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481612 946184119 /nfs/dbraw/zinc/18/41/19/946184119.db2.gz PXRQNRWNLQNWHK-RNCFNFMXSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481612 946184111 /nfs/dbraw/zinc/18/41/11/946184111.db2.gz PXRQNRWNLQNWHK-RNCFNFMXSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481613 946185097 /nfs/dbraw/zinc/18/50/97/946185097.db2.gz PXRQNRWNLQNWHK-TVQRCGJNSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481613 946185094 /nfs/dbraw/zinc/18/50/94/946185094.db2.gz PXRQNRWNLQNWHK-TVQRCGJNSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481614 946184482 /nfs/dbraw/zinc/18/44/82/946184482.db2.gz PXRQNRWNLQNWHK-ZANVPECISA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481614 946184475 /nfs/dbraw/zinc/18/44/75/946184475.db2.gz PXRQNRWNLQNWHK-ZANVPECISA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573482453 946195883 /nfs/dbraw/zinc/19/58/83/946195883.db2.gz WRPPNAAQPWIRLJ-BXKDBHETSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573482454 946196862 /nfs/dbraw/zinc/19/68/62/946196862.db2.gz WRPPNAAQPWIRLJ-CABZTGNLSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573482455 946196733 /nfs/dbraw/zinc/19/67/33/946196733.db2.gz WRPPNAAQPWIRLJ-JOYOIKCWSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573482456 946196171 /nfs/dbraw/zinc/19/61/71/946196171.db2.gz WRPPNAAQPWIRLJ-SKDRFNHKSA-N 0 3 379.396 -0.903 20 0 GBADHN CC(=O)N[C@H](C)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573483638 946209851 /nfs/dbraw/zinc/20/98/51/946209851.db2.gz GOOFLYLNZLKFSG-GFCCVEGCSA-N 0 3 387.448 -0.976 20 0 GBADHN CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573483639 946208250 /nfs/dbraw/zinc/20/82/50/946208250.db2.gz GOOFLYLNZLKFSG-LBPRGKRZSA-N 0 3 387.448 -0.976 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573498939 946363312 /nfs/dbraw/zinc/36/33/12/946363312.db2.gz BCSCWQKKSNOWEK-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573498940 946364660 /nfs/dbraw/zinc/36/46/60/946364660.db2.gz BCSCWQKKSNOWEK-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573499470 946366842 /nfs/dbraw/zinc/36/68/42/946366842.db2.gz DGIZLVOWZSCESR-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573499470 946366834 /nfs/dbraw/zinc/36/68/34/946366834.db2.gz DGIZLVOWZSCESR-GFCCVEGCSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573499472 946367307 /nfs/dbraw/zinc/36/73/07/946367307.db2.gz DGIZLVOWZSCESR-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573499472 946367293 /nfs/dbraw/zinc/36/72/93/946367293.db2.gz DGIZLVOWZSCESR-LBPRGKRZSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573499510 946369955 /nfs/dbraw/zinc/36/99/55/946369955.db2.gz FAUOWQXCIMHYGQ-AWEZNQCLSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573499510 946369945 /nfs/dbraw/zinc/36/99/45/946369945.db2.gz FAUOWQXCIMHYGQ-AWEZNQCLSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573499510 946369933 /nfs/dbraw/zinc/36/99/33/946369933.db2.gz FAUOWQXCIMHYGQ-AWEZNQCLSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573499510 946369922 /nfs/dbraw/zinc/36/99/22/946369922.db2.gz FAUOWQXCIMHYGQ-AWEZNQCLSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573499515 946368838 /nfs/dbraw/zinc/36/88/38/946368838.db2.gz FAUOWQXCIMHYGQ-CQSZACIVSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573499515 946368825 /nfs/dbraw/zinc/36/88/25/946368825.db2.gz FAUOWQXCIMHYGQ-CQSZACIVSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573499515 946368812 /nfs/dbraw/zinc/36/88/12/946368812.db2.gz FAUOWQXCIMHYGQ-CQSZACIVSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573499515 946368798 /nfs/dbraw/zinc/36/87/98/946368798.db2.gz FAUOWQXCIMHYGQ-CQSZACIVSA-N 0 3 375.433 -0.746 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573500489 946374133 /nfs/dbraw/zinc/37/41/33/946374133.db2.gz KURLXVNEDNDMDN-CYBMUJFWSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573500489 946374123 /nfs/dbraw/zinc/37/41/23/946374123.db2.gz KURLXVNEDNDMDN-CYBMUJFWSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573500490 946374717 /nfs/dbraw/zinc/37/47/17/946374717.db2.gz KURLXVNEDNDMDN-ZDUSSCGKSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573500490 946374712 /nfs/dbraw/zinc/37/47/12/946374712.db2.gz KURLXVNEDNDMDN-ZDUSSCGKSA-N 0 3 379.396 -0.949 20 0 GBADHN CC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573501974 946386344 /nfs/dbraw/zinc/38/63/44/946386344.db2.gz TURGIMDJIHIDKH-UHFFFAOYSA-N 0 3 379.396 -0.948 20 0 GBADHN CC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573501974 946386333 /nfs/dbraw/zinc/38/63/33/946386333.db2.gz TURGIMDJIHIDKH-UHFFFAOYSA-N 0 3 379.396 -0.948 20 0 GBADHN CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573503969 946401848 /nfs/dbraw/zinc/40/18/48/946401848.db2.gz CNQDCQHEBPYVSJ-UHFFFAOYSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573503969 946401843 /nfs/dbraw/zinc/40/18/43/946401843.db2.gz CNQDCQHEBPYVSJ-UHFFFAOYSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573506304 946430215 /nfs/dbraw/zinc/43/02/15/946430215.db2.gz PHVVORJPLKWWBW-UHFFFAOYSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573506304 946430213 /nfs/dbraw/zinc/43/02/13/946430213.db2.gz PHVVORJPLKWWBW-UHFFFAOYSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573506338 946430148 /nfs/dbraw/zinc/43/01/48/946430148.db2.gz PNXSXWMYCHWMFF-UHFFFAOYSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573506338 946430144 /nfs/dbraw/zinc/43/01/44/946430144.db2.gz PNXSXWMYCHWMFF-UHFFFAOYSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573506462 946435380 /nfs/dbraw/zinc/43/53/80/946435380.db2.gz QXMGTHQQHQZWQL-GOSISDBHSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573506464 946434501 /nfs/dbraw/zinc/43/45/01/946434501.db2.gz QXMGTHQQHQZWQL-SFHVURJKSA-N 0 3 387.444 -0.554 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573509024 946457188 /nfs/dbraw/zinc/45/71/88/946457188.db2.gz DQOCJRQVNJYWPD-CYBMUJFWSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573509141 946456490 /nfs/dbraw/zinc/45/64/90/946456490.db2.gz DQOCJRQVNJYWPD-ZDUSSCGKSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573509229 946459789 /nfs/dbraw/zinc/45/97/89/946459789.db2.gz IKEYLPRTXONCCA-INIZCTEOSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573509230 946460059 /nfs/dbraw/zinc/46/00/59/946460059.db2.gz IKEYLPRTXONCCA-MRXNPFEDSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573509273 946462862 /nfs/dbraw/zinc/46/28/62/946462862.db2.gz JIKRNKZDZFGXPC-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573509273 946462859 /nfs/dbraw/zinc/46/28/59/946462859.db2.gz JIKRNKZDZFGXPC-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573509274 946462518 /nfs/dbraw/zinc/46/25/18/946462518.db2.gz JIKRNKZDZFGXPC-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573509274 946462509 /nfs/dbraw/zinc/46/25/09/946462509.db2.gz JIKRNKZDZFGXPC-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573509275 946461289 /nfs/dbraw/zinc/46/12/89/946461289.db2.gz JIKRNKZDZFGXPC-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573509275 946461279 /nfs/dbraw/zinc/46/12/79/946461279.db2.gz JIKRNKZDZFGXPC-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573509276 946461737 /nfs/dbraw/zinc/46/17/37/946461737.db2.gz JIKRNKZDZFGXPC-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573509276 946461729 /nfs/dbraw/zinc/46/17/29/946461729.db2.gz JIKRNKZDZFGXPC-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573509283 946462428 /nfs/dbraw/zinc/46/24/28/946462428.db2.gz JXBGWFHRAJDMQW-CYBMUJFWSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573509283 946462422 /nfs/dbraw/zinc/46/24/22/946462422.db2.gz JXBGWFHRAJDMQW-CYBMUJFWSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573509284 946461714 /nfs/dbraw/zinc/46/17/14/946461714.db2.gz JXBGWFHRAJDMQW-ZDUSSCGKSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573509284 946461709 /nfs/dbraw/zinc/46/17/09/946461709.db2.gz JXBGWFHRAJDMQW-ZDUSSCGKSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509538 946464518 /nfs/dbraw/zinc/46/45/18/946464518.db2.gz NUWHHSCJXBFCDY-HNNXBMFYSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509538 946464514 /nfs/dbraw/zinc/46/45/14/946464514.db2.gz NUWHHSCJXBFCDY-HNNXBMFYSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509542 946463726 /nfs/dbraw/zinc/46/37/26/946463726.db2.gz NUWHHSCJXBFCDY-OAHLLOKOSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509542 946463716 /nfs/dbraw/zinc/46/37/16/946463716.db2.gz NUWHHSCJXBFCDY-OAHLLOKOSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509761 946466336 /nfs/dbraw/zinc/46/63/36/946466336.db2.gz QGRKGEJGIDTYSL-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509761 946466328 /nfs/dbraw/zinc/46/63/28/946466328.db2.gz QGRKGEJGIDTYSL-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509762 946465751 /nfs/dbraw/zinc/46/57/51/946465751.db2.gz QGRKGEJGIDTYSL-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509762 946465749 /nfs/dbraw/zinc/46/57/49/946465749.db2.gz QGRKGEJGIDTYSL-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509763 946467073 /nfs/dbraw/zinc/46/70/73/946467073.db2.gz QGRKGEJGIDTYSL-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509763 946467067 /nfs/dbraw/zinc/46/70/67/946467067.db2.gz QGRKGEJGIDTYSL-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509764 946466835 /nfs/dbraw/zinc/46/68/35/946466835.db2.gz QGRKGEJGIDTYSL-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509764 946466829 /nfs/dbraw/zinc/46/68/29/946466829.db2.gz QGRKGEJGIDTYSL-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573509802 946467403 /nfs/dbraw/zinc/46/74/03/946467403.db2.gz SGRZPKPBASAFIQ-INIZCTEOSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573509802 946467397 /nfs/dbraw/zinc/46/73/97/946467397.db2.gz SGRZPKPBASAFIQ-INIZCTEOSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573509803 946466440 /nfs/dbraw/zinc/46/64/40/946466440.db2.gz SGRZPKPBASAFIQ-MRXNPFEDSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573509803 946466428 /nfs/dbraw/zinc/46/64/28/946466428.db2.gz SGRZPKPBASAFIQ-MRXNPFEDSA-N 0 3 387.444 -0.290 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573510000 946468906 /nfs/dbraw/zinc/46/89/06/946468906.db2.gz VDFPFADVFBRKDP-AWEZNQCLSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573510000 946468898 /nfs/dbraw/zinc/46/88/98/946468898.db2.gz VDFPFADVFBRKDP-AWEZNQCLSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573510001 946469579 /nfs/dbraw/zinc/46/95/79/946469579.db2.gz VDFPFADVFBRKDP-CQSZACIVSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573510001 946469574 /nfs/dbraw/zinc/46/95/74/946469574.db2.gz VDFPFADVFBRKDP-CQSZACIVSA-N 0 3 391.407 -0.541 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573510078 946471679 /nfs/dbraw/zinc/47/16/79/946471679.db2.gz YKNAIHCXWYQWPF-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573510078 946471671 /nfs/dbraw/zinc/47/16/71/946471671.db2.gz YKNAIHCXWYQWPF-BLLLJJGKSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573510079 946472198 /nfs/dbraw/zinc/47/21/98/946472198.db2.gz YKNAIHCXWYQWPF-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573510079 946472190 /nfs/dbraw/zinc/47/21/90/946472190.db2.gz YKNAIHCXWYQWPF-LRDDRELGSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573510080 946471524 /nfs/dbraw/zinc/47/15/24/946471524.db2.gz YKNAIHCXWYQWPF-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573510080 946471512 /nfs/dbraw/zinc/47/15/12/946471512.db2.gz YKNAIHCXWYQWPF-MLGOLLRUSA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573510081 946470738 /nfs/dbraw/zinc/47/07/38/946470738.db2.gz YKNAIHCXWYQWPF-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573510081 946470734 /nfs/dbraw/zinc/47/07/34/946470734.db2.gz YKNAIHCXWYQWPF-WBMJQRKESA-N 0 3 387.444 -0.292 20 0 GBADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC001573514308 946525273 /nfs/dbraw/zinc/52/52/73/946525273.db2.gz WZARBAQISAMCOX-UHFFFAOYSA-N 0 3 387.444 -0.242 20 0 GBADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC001573514308 946525266 /nfs/dbraw/zinc/52/52/66/946525266.db2.gz WZARBAQISAMCOX-UHFFFAOYSA-N 0 3 387.444 -0.242 20 0 GBADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001573514530 946528102 /nfs/dbraw/zinc/52/81/02/946528102.db2.gz ZKQYBFCGYUVCOH-UHFFFAOYSA-N 0 3 387.444 -0.242 20 0 GBADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001573514530 946528094 /nfs/dbraw/zinc/52/80/94/946528094.db2.gz ZKQYBFCGYUVCOH-UHFFFAOYSA-N 0 3 387.444 -0.242 20 0 GBADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001573516964 946564573 /nfs/dbraw/zinc/56/45/73/946564573.db2.gz AUVIUVKTPUJLMP-UHFFFAOYSA-N 0 3 387.444 -0.242 20 0 GBADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001573516964 946564559 /nfs/dbraw/zinc/56/45/59/946564559.db2.gz AUVIUVKTPUJLMP-UHFFFAOYSA-N 0 3 387.444 -0.242 20 0 GBADHN CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573517469 946573928 /nfs/dbraw/zinc/57/39/28/946573928.db2.gz KVGOUPNGVCSHKI-QKDCVEJESA-N 0 3 387.419 -0.064 20 0 GBADHN CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573517469 946573918 /nfs/dbraw/zinc/57/39/18/946573918.db2.gz KVGOUPNGVCSHKI-QKDCVEJESA-N 0 3 387.419 -0.064 20 0 GBADHN CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]21 ZINC001573517874 946584116 /nfs/dbraw/zinc/58/41/16/946584116.db2.gz TZHLTMVMXOQXGR-QKDCVEJESA-N 0 3 387.419 -0.064 20 0 GBADHN CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]21 ZINC001573517874 946584103 /nfs/dbraw/zinc/58/41/03/946584103.db2.gz TZHLTMVMXOQXGR-QKDCVEJESA-N 0 3 387.419 -0.064 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573527495 946643765 /nfs/dbraw/zinc/64/37/65/946643765.db2.gz AGAFEGCQFFFWPK-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573527495 946643753 /nfs/dbraw/zinc/64/37/53/946643753.db2.gz AGAFEGCQFFFWPK-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573527496 946643727 /nfs/dbraw/zinc/64/37/27/946643727.db2.gz AGAFEGCQFFFWPK-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573527496 946643719 /nfs/dbraw/zinc/64/37/19/946643719.db2.gz AGAFEGCQFFFWPK-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573527699 946645594 /nfs/dbraw/zinc/64/55/94/946645594.db2.gz FBSGSSPKELBUPO-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573527699 946645585 /nfs/dbraw/zinc/64/55/85/946645585.db2.gz FBSGSSPKELBUPO-HNNXBMFYSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573527700 946646122 /nfs/dbraw/zinc/64/61/22/946646122.db2.gz FBSGSSPKELBUPO-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573527700 946646114 /nfs/dbraw/zinc/64/61/14/946646114.db2.gz FBSGSSPKELBUPO-OAHLLOKOSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573528144 946657821 /nfs/dbraw/zinc/65/78/21/946657821.db2.gz VZJGMXJJRFNVCY-AWEZNQCLSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573528144 946657812 /nfs/dbraw/zinc/65/78/12/946657812.db2.gz VZJGMXJJRFNVCY-AWEZNQCLSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573528145 946657408 /nfs/dbraw/zinc/65/74/08/946657408.db2.gz VZJGMXJJRFNVCY-CQSZACIVSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573528145 946657396 /nfs/dbraw/zinc/65/73/96/946657396.db2.gz VZJGMXJJRFNVCY-CQSZACIVSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573528359 946658827 /nfs/dbraw/zinc/65/88/27/946658827.db2.gz AKNRKYWADBLUFM-CQSZACIVSA-N 0 3 390.448 -0.458 20 0 GBADHN CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573528359 946658823 /nfs/dbraw/zinc/65/88/23/946658823.db2.gz AKNRKYWADBLUFM-CQSZACIVSA-N 0 3 390.448 -0.458 20 0 GBADHN CC(=O)NCCOCC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573528446 946661735 /nfs/dbraw/zinc/66/17/35/946661735.db2.gz CCDFTDINUDFPGR-JOCQHMNTSA-N 0 3 376.421 -0.802 20 0 GBADHN CC(=O)NCCOCC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573528446 946661728 /nfs/dbraw/zinc/66/17/28/946661728.db2.gz CCDFTDINUDFPGR-JOCQHMNTSA-N 0 3 376.421 -0.802 20 0 GBADHN CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573528688 946664361 /nfs/dbraw/zinc/66/43/61/946664361.db2.gz GADOEKBQLJZROU-UHFFFAOYSA-N 0 3 390.448 -0.460 20 0 GBADHN CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573528688 946664354 /nfs/dbraw/zinc/66/43/54/946664354.db2.gz GADOEKBQLJZROU-UHFFFAOYSA-N 0 3 390.448 -0.460 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573535705 946725114 /nfs/dbraw/zinc/72/51/14/946725114.db2.gz GULRLLWACYNHMW-HZPDHXFCSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573535705 946725105 /nfs/dbraw/zinc/72/51/05/946725105.db2.gz GULRLLWACYNHMW-HZPDHXFCSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573535706 946725763 /nfs/dbraw/zinc/72/57/63/946725763.db2.gz GULRLLWACYNHMW-JKSUJKDBSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573535706 946725756 /nfs/dbraw/zinc/72/57/56/946725756.db2.gz GULRLLWACYNHMW-JKSUJKDBSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536157 946732796 /nfs/dbraw/zinc/73/27/96/946732796.db2.gz QMFIBYWAUIVQEU-GDBMZVCRSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536157 946732785 /nfs/dbraw/zinc/73/27/85/946732785.db2.gz QMFIBYWAUIVQEU-GDBMZVCRSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536158 946732168 /nfs/dbraw/zinc/73/21/68/946732168.db2.gz QMFIBYWAUIVQEU-GOEBONIOSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536158 946732163 /nfs/dbraw/zinc/73/21/63/946732163.db2.gz QMFIBYWAUIVQEU-GOEBONIOSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573536533 946737728 /nfs/dbraw/zinc/73/77/28/946737728.db2.gz XHHHYRZRCABLRB-HZPDHXFCSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573536533 946737721 /nfs/dbraw/zinc/73/77/21/946737721.db2.gz XHHHYRZRCABLRB-HZPDHXFCSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573536534 946738992 /nfs/dbraw/zinc/73/89/92/946738992.db2.gz XHHHYRZRCABLRB-JKSUJKDBSA-N 0 3 389.460 -0.406 20 0 GBADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573536534 946738986 /nfs/dbraw/zinc/73/89/86/946738986.db2.gz XHHHYRZRCABLRB-JKSUJKDBSA-N 0 3 389.460 -0.406 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573594505 947397481 /nfs/dbraw/zinc/39/74/81/947397481.db2.gz BJKWJCHNYFQYOS-GXTWGEPZSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573594505 947397469 /nfs/dbraw/zinc/39/74/69/947397469.db2.gz BJKWJCHNYFQYOS-GXTWGEPZSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573594506 947398931 /nfs/dbraw/zinc/39/89/31/947398931.db2.gz BJKWJCHNYFQYOS-JSGCOSHPSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573594506 947398916 /nfs/dbraw/zinc/39/89/16/947398916.db2.gz BJKWJCHNYFQYOS-JSGCOSHPSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573594507 947399361 /nfs/dbraw/zinc/39/93/61/947399361.db2.gz BJKWJCHNYFQYOS-OCCSQVGLSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573594507 947399352 /nfs/dbraw/zinc/39/93/52/947399352.db2.gz BJKWJCHNYFQYOS-OCCSQVGLSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573594508 947397918 /nfs/dbraw/zinc/39/79/18/947397918.db2.gz BJKWJCHNYFQYOS-TZMCWYRMSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573594508 947397905 /nfs/dbraw/zinc/39/79/05/947397905.db2.gz BJKWJCHNYFQYOS-TZMCWYRMSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573596439 947428728 /nfs/dbraw/zinc/42/87/28/947428728.db2.gz KCHAPHMSOQJOAD-DOMZBBRYSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573596439 947428724 /nfs/dbraw/zinc/42/87/24/947428724.db2.gz KCHAPHMSOQJOAD-DOMZBBRYSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573596441 947430075 /nfs/dbraw/zinc/43/00/75/947430075.db2.gz KCHAPHMSOQJOAD-IUODEOHRSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573596441 947430067 /nfs/dbraw/zinc/43/00/67/947430067.db2.gz KCHAPHMSOQJOAD-IUODEOHRSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573596443 947429020 /nfs/dbraw/zinc/42/90/20/947429020.db2.gz KCHAPHMSOQJOAD-SWLSCSKDSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573596443 947429012 /nfs/dbraw/zinc/42/90/12/947429012.db2.gz KCHAPHMSOQJOAD-SWLSCSKDSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573596444 947429286 /nfs/dbraw/zinc/42/92/86/947429286.db2.gz KCHAPHMSOQJOAD-WFASDCNBSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573596444 947429280 /nfs/dbraw/zinc/42/92/80/947429280.db2.gz KCHAPHMSOQJOAD-WFASDCNBSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573599275 947453290 /nfs/dbraw/zinc/45/32/90/947453290.db2.gz WYVLYMSTOACMDJ-DOMZBBRYSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573599275 947453283 /nfs/dbraw/zinc/45/32/83/947453283.db2.gz WYVLYMSTOACMDJ-DOMZBBRYSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573599276 947452985 /nfs/dbraw/zinc/45/29/85/947452985.db2.gz WYVLYMSTOACMDJ-IUODEOHRSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573599276 947452979 /nfs/dbraw/zinc/45/29/79/947452979.db2.gz WYVLYMSTOACMDJ-IUODEOHRSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573599277 947451385 /nfs/dbraw/zinc/45/13/85/947451385.db2.gz WYVLYMSTOACMDJ-SWLSCSKDSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573599277 947451380 /nfs/dbraw/zinc/45/13/80/947451380.db2.gz WYVLYMSTOACMDJ-SWLSCSKDSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573599278 947454189 /nfs/dbraw/zinc/45/41/89/947454189.db2.gz WYVLYMSTOACMDJ-WFASDCNBSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573599278 947454183 /nfs/dbraw/zinc/45/41/83/947454183.db2.gz WYVLYMSTOACMDJ-WFASDCNBSA-N 0 3 385.432 -0.372 20 0 GBADHN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573646236 947873796 /nfs/dbraw/zinc/87/37/96/947873796.db2.gz IMSSEKTWCOYRQO-AAEUAGOBSA-N 0 3 378.458 -0.010 20 0 GBADHN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573646237 947873211 /nfs/dbraw/zinc/87/32/11/947873211.db2.gz IMSSEKTWCOYRQO-YPMHNXCESA-N 0 3 378.458 -0.010 20 0 GBADHN C[C@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573656179 947986178 /nfs/dbraw/zinc/98/61/78/947986178.db2.gz CWPIRTFYBJSNLR-SECBINFHSA-N 0 3 389.420 -0.685 20 0 GBADHN C[C@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573656179 947986173 /nfs/dbraw/zinc/98/61/73/947986173.db2.gz CWPIRTFYBJSNLR-SECBINFHSA-N 0 3 389.420 -0.685 20 0 GBADHN C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573656180 947985217 /nfs/dbraw/zinc/98/52/17/947985217.db2.gz CWPIRTFYBJSNLR-VIFPVBQESA-N 0 3 389.420 -0.685 20 0 GBADHN C[C@@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573656180 947985212 /nfs/dbraw/zinc/98/52/12/947985212.db2.gz CWPIRTFYBJSNLR-VIFPVBQESA-N 0 3 389.420 -0.685 20 0 GBADHN C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573679897 948168957 /nfs/dbraw/zinc/16/89/57/948168957.db2.gz KGFPQXORSQVCCY-CHWSQXEVSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573679900 948169535 /nfs/dbraw/zinc/16/95/35/948169535.db2.gz KGFPQXORSQVCCY-OLZOCXBDSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573679902 948169017 /nfs/dbraw/zinc/16/90/17/948169017.db2.gz KGFPQXORSQVCCY-QWHCGFSZSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573679906 948170122 /nfs/dbraw/zinc/17/01/22/948170122.db2.gz KGFPQXORSQVCCY-STQMWFEESA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573680050 948170745 /nfs/dbraw/zinc/17/07/45/948170745.db2.gz LPODCLNSWFCRLA-NXEZZACHSA-N 0 3 377.434 -0.652 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573680051 948170988 /nfs/dbraw/zinc/17/09/88/948170988.db2.gz LPODCLNSWFCRLA-UWVGGRQHSA-N 0 3 377.434 -0.652 20 0 GBADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573680052 948171759 /nfs/dbraw/zinc/17/17/59/948171759.db2.gz LPODCLNSWFCRLA-VHSXEESVSA-N 0 3 377.434 -0.652 20 0 GBADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573680053 948171296 /nfs/dbraw/zinc/17/12/96/948171296.db2.gz LPODCLNSWFCRLA-ZJUUUORDSA-N 0 3 377.434 -0.652 20 0 GBADHN C[C@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573680521 948183029 /nfs/dbraw/zinc/18/30/29/948183029.db2.gz OHSBNNROBMTBLZ-CHWSQXEVSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573680523 948182360 /nfs/dbraw/zinc/18/23/60/948182360.db2.gz OHSBNNROBMTBLZ-OLZOCXBDSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573680525 948181986 /nfs/dbraw/zinc/18/19/86/948181986.db2.gz OHSBNNROBMTBLZ-QWHCGFSZSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573680527 948181654 /nfs/dbraw/zinc/18/16/54/948181654.db2.gz OHSBNNROBMTBLZ-STQMWFEESA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690306 948226114 /nfs/dbraw/zinc/22/61/14/948226114.db2.gz CVCUFMRRBHEHKE-GWCFXTLKSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690307 948225234 /nfs/dbraw/zinc/22/52/34/948225234.db2.gz CVCUFMRRBHEHKE-GXFFZTMASA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690308 948224925 /nfs/dbraw/zinc/22/49/25/948224925.db2.gz CVCUFMRRBHEHKE-MFKMUULPSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690309 948225955 /nfs/dbraw/zinc/22/59/55/948225955.db2.gz CVCUFMRRBHEHKE-ZWNOBZJWSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573691834 948248347 /nfs/dbraw/zinc/24/83/47/948248347.db2.gz KEQKAWGSXUEREK-DOMZBBRYSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573691834 948248339 /nfs/dbraw/zinc/24/83/39/948248339.db2.gz KEQKAWGSXUEREK-DOMZBBRYSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573691835 948247777 /nfs/dbraw/zinc/24/77/77/948247777.db2.gz KEQKAWGSXUEREK-IUODEOHRSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573691835 948247770 /nfs/dbraw/zinc/24/77/70/948247770.db2.gz KEQKAWGSXUEREK-IUODEOHRSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573691837 948247105 /nfs/dbraw/zinc/24/71/05/948247105.db2.gz KEQKAWGSXUEREK-SWLSCSKDSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573691837 948247094 /nfs/dbraw/zinc/24/70/94/948247094.db2.gz KEQKAWGSXUEREK-SWLSCSKDSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573691838 948247862 /nfs/dbraw/zinc/24/78/62/948247862.db2.gz KEQKAWGSXUEREK-WFASDCNBSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573691838 948247853 /nfs/dbraw/zinc/24/78/53/948247853.db2.gz KEQKAWGSXUEREK-WFASDCNBSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573693785 948287486 /nfs/dbraw/zinc/28/74/86/948287486.db2.gz UBEVJHURJQKWQX-CMPLNLGQSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573693787 948286420 /nfs/dbraw/zinc/28/64/20/948286420.db2.gz UBEVJHURJQKWQX-JQWIXIFHSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573693789 948286264 /nfs/dbraw/zinc/28/62/64/948286264.db2.gz UBEVJHURJQKWQX-PWSUYJOCSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573693791 948287406 /nfs/dbraw/zinc/28/74/06/948287406.db2.gz UBEVJHURJQKWQX-ZYHUDNBSSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC001573693845 948289146 /nfs/dbraw/zinc/28/91/46/948289146.db2.gz UOETUMVFXWPSMX-BLLLJJGKSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC001573693845 948289138 /nfs/dbraw/zinc/28/91/38/948289138.db2.gz UOETUMVFXWPSMX-BLLLJJGKSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC001573693847 948289499 /nfs/dbraw/zinc/28/94/99/948289499.db2.gz UOETUMVFXWPSMX-LRDDRELGSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC001573693847 948289490 /nfs/dbraw/zinc/28/94/90/948289490.db2.gz UOETUMVFXWPSMX-LRDDRELGSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC001573693848 948290132 /nfs/dbraw/zinc/29/01/32/948290132.db2.gz UOETUMVFXWPSMX-MLGOLLRUSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC001573693848 948290125 /nfs/dbraw/zinc/29/01/25/948290125.db2.gz UOETUMVFXWPSMX-MLGOLLRUSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC001573693850 948290356 /nfs/dbraw/zinc/29/03/56/948290356.db2.gz UOETUMVFXWPSMX-WBMJQRKESA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC001573693850 948290347 /nfs/dbraw/zinc/29/03/47/948290347.db2.gz UOETUMVFXWPSMX-WBMJQRKESA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573693903 948290989 /nfs/dbraw/zinc/29/09/89/948290989.db2.gz VEWRSAUFPLLPDN-BLLLJJGKSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573693903 948290982 /nfs/dbraw/zinc/29/09/82/948290982.db2.gz VEWRSAUFPLLPDN-BLLLJJGKSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573693905 948292444 /nfs/dbraw/zinc/29/24/44/948292444.db2.gz VEWRSAUFPLLPDN-LRDDRELGSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573693905 948292439 /nfs/dbraw/zinc/29/24/39/948292439.db2.gz VEWRSAUFPLLPDN-LRDDRELGSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573693907 948291816 /nfs/dbraw/zinc/29/18/16/948291816.db2.gz VEWRSAUFPLLPDN-MLGOLLRUSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573693907 948291809 /nfs/dbraw/zinc/29/18/09/948291809.db2.gz VEWRSAUFPLLPDN-MLGOLLRUSA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573693909 948291042 /nfs/dbraw/zinc/29/10/42/948291042.db2.gz VEWRSAUFPLLPDN-WBMJQRKESA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573693909 948291034 /nfs/dbraw/zinc/29/10/34/948291034.db2.gz VEWRSAUFPLLPDN-WBMJQRKESA-N 0 3 384.444 -0.029 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573695132 948300825 /nfs/dbraw/zinc/30/08/25/948300825.db2.gz WYVAJCLGQZTUOV-GWCFXTLKSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cncn1 ZINC001573695132 948300809 /nfs/dbraw/zinc/30/08/09/948300809.db2.gz WYVAJCLGQZTUOV-GWCFXTLKSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573695136 948300289 /nfs/dbraw/zinc/30/02/89/948300289.db2.gz WYVAJCLGQZTUOV-GXFFZTMASA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cncn1 ZINC001573695136 948300278 /nfs/dbraw/zinc/30/02/78/948300278.db2.gz WYVAJCLGQZTUOV-GXFFZTMASA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573695140 948300719 /nfs/dbraw/zinc/30/07/19/948300719.db2.gz WYVAJCLGQZTUOV-MFKMUULPSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cncn1 ZINC001573695140 948300711 /nfs/dbraw/zinc/30/07/11/948300711.db2.gz WYVAJCLGQZTUOV-MFKMUULPSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573695143 948300317 /nfs/dbraw/zinc/30/03/17/948300317.db2.gz WYVAJCLGQZTUOV-ZWNOBZJWSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cncn1 ZINC001573695143 948300308 /nfs/dbraw/zinc/30/03/08/948300308.db2.gz WYVAJCLGQZTUOV-ZWNOBZJWSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573695598 948306422 /nfs/dbraw/zinc/30/64/22/948306422.db2.gz XVMFAZVXKDCUJC-CMPLNLGQSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573695598 948306412 /nfs/dbraw/zinc/30/64/12/948306412.db2.gz XVMFAZVXKDCUJC-CMPLNLGQSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573695599 948307397 /nfs/dbraw/zinc/30/73/97/948307397.db2.gz XVMFAZVXKDCUJC-JQWIXIFHSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573695599 948307390 /nfs/dbraw/zinc/30/73/90/948307390.db2.gz XVMFAZVXKDCUJC-JQWIXIFHSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573695600 948306687 /nfs/dbraw/zinc/30/66/87/948306687.db2.gz XVMFAZVXKDCUJC-PWSUYJOCSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573695600 948306681 /nfs/dbraw/zinc/30/66/81/948306681.db2.gz XVMFAZVXKDCUJC-PWSUYJOCSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573695601 948307755 /nfs/dbraw/zinc/30/77/55/948307755.db2.gz XVMFAZVXKDCUJC-ZYHUDNBSSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573695601 948307747 /nfs/dbraw/zinc/30/77/47/948307747.db2.gz XVMFAZVXKDCUJC-ZYHUDNBSSA-N 0 3 389.395 -0.575 20 0 GBADHN C[C@H](C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573695671 948309862 /nfs/dbraw/zinc/30/98/62/948309862.db2.gz YJZVMCICLNNFHQ-CHWSQXEVSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573695673 948308753 /nfs/dbraw/zinc/30/87/53/948308753.db2.gz YJZVMCICLNNFHQ-OLZOCXBDSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573695674 948309711 /nfs/dbraw/zinc/30/97/11/948309711.db2.gz YJZVMCICLNNFHQ-QWHCGFSZSA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573695676 948309751 /nfs/dbraw/zinc/30/97/51/948309751.db2.gz YJZVMCICLNNFHQ-STQMWFEESA-N 0 3 389.464 -0.190 20 0 GBADHN C[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N1C(=O)CCC1=O ZINC001573719186 948523150 /nfs/dbraw/zinc/52/31/50/948523150.db2.gz KTEMGKZKOCKDLM-JTQLQIEISA-N 0 3 389.391 -0.251 20 0 GBADHN C[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N1C(=O)CCC1=O ZINC001573719187 948522864 /nfs/dbraw/zinc/52/28/64/948522864.db2.gz KTEMGKZKOCKDLM-SNVBAGLBSA-N 0 3 389.391 -0.251 20 0 GBADHN C[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N1C(=O)CCC1=O ZINC001573720741 948536466 /nfs/dbraw/zinc/53/64/66/948536466.db2.gz SOMHRXJRXBGDFZ-JTQLQIEISA-N 0 3 389.391 -0.251 20 0 GBADHN C[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N1C(=O)CCC1=O ZINC001573720741 948536462 /nfs/dbraw/zinc/53/64/62/948536462.db2.gz SOMHRXJRXBGDFZ-JTQLQIEISA-N 0 3 389.391 -0.251 20 0 GBADHN C[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N1C(=O)CCC1=O ZINC001573720887 948536833 /nfs/dbraw/zinc/53/68/33/948536833.db2.gz SOMHRXJRXBGDFZ-SNVBAGLBSA-N 0 3 389.391 -0.251 20 0 GBADHN C[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N1C(=O)CCC1=O ZINC001573720887 948536830 /nfs/dbraw/zinc/53/68/30/948536830.db2.gz SOMHRXJRXBGDFZ-SNVBAGLBSA-N 0 3 389.391 -0.251 20 0 GBADHN C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N1C(=O)CCC1=O ZINC001573731084 948587882 /nfs/dbraw/zinc/58/78/82/948587882.db2.gz CZRRBJDZNQIGJB-NWDGAFQWSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N1C(=O)CCC1=O ZINC001573731084 948587879 /nfs/dbraw/zinc/58/78/79/948587879.db2.gz CZRRBJDZNQIGJB-NWDGAFQWSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001573731085 948587900 /nfs/dbraw/zinc/58/79/00/948587900.db2.gz CZRRBJDZNQIGJB-RYUDHWBXSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001573731085 948587897 /nfs/dbraw/zinc/58/78/97/948587897.db2.gz CZRRBJDZNQIGJB-RYUDHWBXSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001573739799 948623806 /nfs/dbraw/zinc/62/38/06/948623806.db2.gz HREACSBSEJQILY-NEPJUHHUSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001573739799 948623803 /nfs/dbraw/zinc/62/38/03/948623803.db2.gz HREACSBSEJQILY-NEPJUHHUSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001573739801 948624430 /nfs/dbraw/zinc/62/44/30/948624430.db2.gz HREACSBSEJQILY-VXGBXAGGSA-N 0 3 385.428 -0.002 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001573739801 948624425 /nfs/dbraw/zinc/62/44/25/948624425.db2.gz HREACSBSEJQILY-VXGBXAGGSA-N 0 3 385.428 -0.002 20 0 GBADHN CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573761954 948848251 /nfs/dbraw/zinc/84/82/51/948848251.db2.gz MYNKTECNAWHBJT-UHFFFAOYSA-N 0 3 389.464 -0.236 20 0 GBADHN CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573762705 948859333 /nfs/dbraw/zinc/85/93/33/948859333.db2.gz YSVGQYOVWPYYCS-UHFFFAOYSA-N 0 3 389.464 -0.236 20 0 GBADHN CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001573772365 948959072 /nfs/dbraw/zinc/95/90/72/948959072.db2.gz AWOOQBJIWVKOJX-GFCCVEGCSA-N 0 3 390.448 -0.724 20 0 GBADHN CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001573772366 948958096 /nfs/dbraw/zinc/95/80/96/948958096.db2.gz AWOOQBJIWVKOJX-LBPRGKRZSA-N 0 3 390.448 -0.724 20 0 GBADHN CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001573772766 948967694 /nfs/dbraw/zinc/96/76/94/948967694.db2.gz DRJVBTNRILTRLF-GFCCVEGCSA-N 0 3 390.448 -0.724 20 0 GBADHN CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001573772767 948968582 /nfs/dbraw/zinc/96/85/82/948968582.db2.gz DRJVBTNRILTRLF-LBPRGKRZSA-N 0 3 390.448 -0.724 20 0 GBADHN CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573773748 948992930 /nfs/dbraw/zinc/99/29/30/948992930.db2.gz GSBRBCQLLXRADS-LLVKDONJSA-N 0 3 375.437 -0.580 20 0 GBADHN CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573773749 948992025 /nfs/dbraw/zinc/99/20/25/948992025.db2.gz GSBRBCQLLXRADS-NSHDSACASA-N 0 3 375.437 -0.580 20 0 GBADHN CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCC1 ZINC001573773973 948994045 /nfs/dbraw/zinc/99/40/45/948994045.db2.gz HGKNFUGWHPPSEA-GFCCVEGCSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCC1 ZINC001573773974 948996454 /nfs/dbraw/zinc/99/64/54/948996454.db2.gz HGKNFUGWHPPSEA-LBPRGKRZSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573774276 949003404 /nfs/dbraw/zinc/00/34/04/949003404.db2.gz LKQGWFXMISNQEJ-LLVKDONJSA-N 0 3 375.437 -0.580 20 0 GBADHN CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573774277 949005448 /nfs/dbraw/zinc/00/54/48/949005448.db2.gz LKQGWFXMISNQEJ-NSHDSACASA-N 0 3 375.437 -0.580 20 0 GBADHN CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCC1 ZINC001573774361 949006890 /nfs/dbraw/zinc/00/68/90/949006890.db2.gz NDZFSDZSBMSNGC-GFCCVEGCSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCC1 ZINC001573774363 949010179 /nfs/dbraw/zinc/01/01/79/949010179.db2.gz NDZFSDZSBMSNGC-LBPRGKRZSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573774476 949006989 /nfs/dbraw/zinc/00/69/89/949006989.db2.gz SFMGMQLKDHFHAP-LLVKDONJSA-N 0 3 375.437 -0.580 20 0 GBADHN CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573774477 949010134 /nfs/dbraw/zinc/01/01/34/949010134.db2.gz SFMGMQLKDHFHAP-NSHDSACASA-N 0 3 375.437 -0.580 20 0 GBADHN CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCC1 ZINC001573774497 949011965 /nfs/dbraw/zinc/01/19/65/949011965.db2.gz SRNHDWMMXPVCGN-LLVKDONJSA-N 0 3 390.448 -0.724 20 0 GBADHN CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCC1 ZINC001573774498 949011834 /nfs/dbraw/zinc/01/18/34/949011834.db2.gz SRNHDWMMXPVCGN-NSHDSACASA-N 0 3 390.448 -0.724 20 0 GBADHN CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCC1 ZINC001573774504 949013052 /nfs/dbraw/zinc/01/30/52/949013052.db2.gz SZCZJFHHTMRNRE-GFCCVEGCSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCC1 ZINC001573774505 949011703 /nfs/dbraw/zinc/01/17/03/949011703.db2.gz SZCZJFHHTMRNRE-LBPRGKRZSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCC1 ZINC001573774966 949026485 /nfs/dbraw/zinc/02/64/85/949026485.db2.gz QICMSBQNUVKXCD-GFCCVEGCSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCC1 ZINC001573774967 949027466 /nfs/dbraw/zinc/02/74/66/949027466.db2.gz QICMSBQNUVKXCD-LBPRGKRZSA-N 0 3 389.464 -0.190 20 0 GBADHN CC(C)(C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O)c1c[nH]cn1 ZINC001573786874 949151274 /nfs/dbraw/zinc/15/12/74/949151274.db2.gz APASGCIQFKUFPS-DGCLKSJQSA-N 0 3 383.416 -0.372 20 0 GBADHN CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573786883 949153822 /nfs/dbraw/zinc/15/38/22/949153822.db2.gz BJTOFTUUHNTQHK-OLZOCXBDSA-N 0 3 387.448 -0.803 20 0 GBADHN CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)[NH+]1CCCC1 ZINC001573787404 949178544 /nfs/dbraw/zinc/17/85/44/949178544.db2.gz XGHRQZSJQMCRAW-CHWSQXEVSA-N 0 3 387.448 -0.803 20 0 GBADHN CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573787405 949179972 /nfs/dbraw/zinc/17/99/72/949179972.db2.gz XGHRQZSJQMCRAW-OLZOCXBDSA-N 0 3 387.448 -0.803 20 0 GBADHN CC(C)(C(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573788822 949215724 /nfs/dbraw/zinc/21/57/24/949215724.db2.gz YWBDGQAQUQBION-JTQLQIEISA-N 0 3 379.396 -0.916 20 0 GBADHN CC(C)(C(N)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573788823 949213401 /nfs/dbraw/zinc/21/34/01/949213401.db2.gz YWBDGQAQUQBION-SNVBAGLBSA-N 0 3 379.396 -0.916 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573802792 949425566 /nfs/dbraw/zinc/42/55/66/949425566.db2.gz KRFVLEJGPCCQOG-AWEZNQCLSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573802792 949425551 /nfs/dbraw/zinc/42/55/51/949425551.db2.gz KRFVLEJGPCCQOG-AWEZNQCLSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573802797 949424269 /nfs/dbraw/zinc/42/42/69/949424269.db2.gz KRFVLEJGPCCQOG-CQSZACIVSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573802797 949424251 /nfs/dbraw/zinc/42/42/51/949424251.db2.gz KRFVLEJGPCCQOG-CQSZACIVSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573804060 949462060 /nfs/dbraw/zinc/46/20/60/949462060.db2.gz SBTGEDVQONHFHQ-CYBMUJFWSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573804060 949462046 /nfs/dbraw/zinc/46/20/46/949462046.db2.gz SBTGEDVQONHFHQ-CYBMUJFWSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573804064 949464268 /nfs/dbraw/zinc/46/42/68/949464268.db2.gz SBTGEDVQONHFHQ-ZDUSSCGKSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573804064 949464249 /nfs/dbraw/zinc/46/42/49/949464249.db2.gz SBTGEDVQONHFHQ-ZDUSSCGKSA-N 0 3 389.460 -0.404 20 0 GBADHN CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851399 950294638 /nfs/dbraw/zinc/29/46/38/950294638.db2.gz XMMXHVREJGXZHU-UHFFFAOYSA-N 0 3 391.436 -0.471 20 0 GBADHN CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573855195 950358398 /nfs/dbraw/zinc/35/83/98/950358398.db2.gz LIEUQIZKVLCGNP-NEPJUHHUSA-N 0 3 390.448 -0.726 20 0 GBADHN CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573855196 950363721 /nfs/dbraw/zinc/36/37/21/950363721.db2.gz LIEUQIZKVLCGNP-NWDGAFQWSA-N 0 3 390.448 -0.726 20 0 GBADHN CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573855197 950360986 /nfs/dbraw/zinc/36/09/86/950360986.db2.gz LIEUQIZKVLCGNP-RYUDHWBXSA-N 0 3 390.448 -0.726 20 0 GBADHN CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573855198 950360488 /nfs/dbraw/zinc/36/04/88/950360488.db2.gz LIEUQIZKVLCGNP-VXGBXAGGSA-N 0 3 390.448 -0.726 20 0 GBADHN CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573893744 950897418 /nfs/dbraw/zinc/89/74/18/950897418.db2.gz UIYLIPMNEKTRNX-UHFFFAOYSA-N 0 3 387.452 -0.112 20 0 GBADHN CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573893744 950897400 /nfs/dbraw/zinc/89/74/00/950897400.db2.gz UIYLIPMNEKTRNX-UHFFFAOYSA-N 0 3 387.452 -0.112 20 0 GBADHN CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574432223 948928314 /nfs/dbraw/zinc/92/83/14/948928314.db2.gz FUCBICKNXPVPNQ-GFCCVEGCSA-N 0 3 385.432 -0.407 20 0 GBADHN CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574432224 948928804 /nfs/dbraw/zinc/92/88/04/948928804.db2.gz FUCBICKNXPVPNQ-LBPRGKRZSA-N 0 3 385.432 -0.407 20 0 GBADHN C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574476916 949629087 /nfs/dbraw/zinc/62/90/87/949629087.db2.gz LWYYHEGYZGNPCH-CHWSQXEVSA-N 0 3 385.432 -0.237 20 0 GBADHN C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574476917 949629973 /nfs/dbraw/zinc/62/99/73/949629973.db2.gz LWYYHEGYZGNPCH-OLZOCXBDSA-N 0 3 385.432 -0.237 20 0 GBADHN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574476918 949631020 /nfs/dbraw/zinc/63/10/20/949631020.db2.gz LWYYHEGYZGNPCH-QWHCGFSZSA-N 0 3 385.432 -0.237 20 0 GBADHN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574476919 949630272 /nfs/dbraw/zinc/63/02/72/949630272.db2.gz LWYYHEGYZGNPCH-STQMWFEESA-N 0 3 385.432 -0.237 20 0 GBADHN C[C@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574477695 949669864 /nfs/dbraw/zinc/66/98/64/949669864.db2.gz QJTHKUBFHMCVNX-CYBMUJFWSA-N 0 3 385.432 -0.236 20 0 GBADHN C[C@@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574477697 949671216 /nfs/dbraw/zinc/67/12/16/949671216.db2.gz QJTHKUBFHMCVNX-ZDUSSCGKSA-N 0 3 385.432 -0.236 20 0 GBADHN C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574478147 949701005 /nfs/dbraw/zinc/70/10/05/949701005.db2.gz XZDPOCBLTATZRC-AAEUAGOBSA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574478147 949700977 /nfs/dbraw/zinc/70/09/77/949700977.db2.gz XZDPOCBLTATZRC-AAEUAGOBSA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574478152 949700021 /nfs/dbraw/zinc/70/00/21/949700021.db2.gz XZDPOCBLTATZRC-DGCLKSJQSA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574478152 949700010 /nfs/dbraw/zinc/70/00/10/949700010.db2.gz XZDPOCBLTATZRC-DGCLKSJQSA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574478153 949697191 /nfs/dbraw/zinc/69/71/91/949697191.db2.gz XZDPOCBLTATZRC-WCQYABFASA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574478153 949697178 /nfs/dbraw/zinc/69/71/78/949697178.db2.gz XZDPOCBLTATZRC-WCQYABFASA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574478154 949700389 /nfs/dbraw/zinc/70/03/89/949700389.db2.gz XZDPOCBLTATZRC-YPMHNXCESA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574478154 949700372 /nfs/dbraw/zinc/70/03/72/949700372.db2.gz XZDPOCBLTATZRC-YPMHNXCESA-N 0 3 390.448 -0.778 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O)n1ccnc1 ZINC001574510886 950547770 /nfs/dbraw/zinc/54/77/70/950547770.db2.gz CPKPXVCQEUWYGN-NJZAAPMLSA-N 0 3 383.416 -0.225 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O)n1ccnc1 ZINC001574510887 950547079 /nfs/dbraw/zinc/54/70/79/950547079.db2.gz CPKPXVCQEUWYGN-UXIGCNINSA-N 0 3 383.416 -0.225 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)NC(N)=O ZINC001574518719 950661642 /nfs/dbraw/zinc/66/16/42/950661642.db2.gz QCYKSFVPIFDSEE-ADDUCUOXSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)NC(N)=O ZINC001574518719 950661627 /nfs/dbraw/zinc/66/16/27/950661627.db2.gz QCYKSFVPIFDSEE-ADDUCUOXSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)NC(N)=O ZINC001574518720 950661106 /nfs/dbraw/zinc/66/11/06/950661106.db2.gz QCYKSFVPIFDSEE-YZOIGVHSSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)NC(N)=O ZINC001574518720 950661095 /nfs/dbraw/zinc/66/10/95/950661095.db2.gz QCYKSFVPIFDSEE-YZOIGVHSSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574519700 950694517 /nfs/dbraw/zinc/69/45/17/950694517.db2.gz XQYWAIFXKVPPEH-ADDUCUOXSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574519700 950694512 /nfs/dbraw/zinc/69/45/12/950694512.db2.gz XQYWAIFXKVPPEH-ADDUCUOXSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574519700 950694501 /nfs/dbraw/zinc/69/45/01/950694501.db2.gz XQYWAIFXKVPPEH-ADDUCUOXSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574519700 950694485 /nfs/dbraw/zinc/69/44/85/950694485.db2.gz XQYWAIFXKVPPEH-ADDUCUOXSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574519702 950694264 /nfs/dbraw/zinc/69/42/64/950694264.db2.gz XQYWAIFXKVPPEH-YZOIGVHSSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574519702 950694258 /nfs/dbraw/zinc/69/42/58/950694258.db2.gz XQYWAIFXKVPPEH-YZOIGVHSSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574519702 950694243 /nfs/dbraw/zinc/69/42/43/950694243.db2.gz XQYWAIFXKVPPEH-YZOIGVHSSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574519702 950694231 /nfs/dbraw/zinc/69/42/31/950694231.db2.gz XQYWAIFXKVPPEH-YZOIGVHSSA-N 0 3 384.444 -0.140 20 0 GBADHN C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527960 950917368 /nfs/dbraw/zinc/91/73/68/950917368.db2.gz IWNLUWOCJMAYKF-GHMZBOCLSA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527960 950917340 /nfs/dbraw/zinc/91/73/40/950917340.db2.gz IWNLUWOCJMAYKF-GHMZBOCLSA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCN1CCNC1=O ZINC001574527961 950919561 /nfs/dbraw/zinc/91/95/61/950919561.db2.gz IWNLUWOCJMAYKF-MNOVXSKESA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCN1CCNC1=O ZINC001574527961 950919548 /nfs/dbraw/zinc/91/95/48/950919548.db2.gz IWNLUWOCJMAYKF-MNOVXSKESA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527962 950917210 /nfs/dbraw/zinc/91/72/10/950917210.db2.gz IWNLUWOCJMAYKF-QWRGUYRKSA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527962 950917193 /nfs/dbraw/zinc/91/71/93/950917193.db2.gz IWNLUWOCJMAYKF-QWRGUYRKSA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527963 950917306 /nfs/dbraw/zinc/91/73/06/950917306.db2.gz IWNLUWOCJMAYKF-WDEREUQCSA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527963 950917292 /nfs/dbraw/zinc/91/72/92/950917292.db2.gz IWNLUWOCJMAYKF-WDEREUQCSA-N 0 3 375.437 -0.294 20 0 GBADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001574530614 950988124 /nfs/dbraw/zinc/98/81/24/950988124.db2.gz CNDSYRWJXJXHAZ-NEPJUHHUSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530615 950988332 /nfs/dbraw/zinc/98/83/32/950988332.db2.gz CNDSYRWJXJXHAZ-NWDGAFQWSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530616 950987108 /nfs/dbraw/zinc/98/71/08/950987108.db2.gz CNDSYRWJXJXHAZ-RYUDHWBXSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530617 950987133 /nfs/dbraw/zinc/98/71/33/950987133.db2.gz CNDSYRWJXJXHAZ-VXGBXAGGSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574710709 949511467 /nfs/dbraw/zinc/51/14/67/949511467.db2.gz AIAIYIICYKMQMK-LLVKDONJSA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574710709 949511449 /nfs/dbraw/zinc/51/14/49/949511449.db2.gz AIAIYIICYKMQMK-LLVKDONJSA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574710710 949512557 /nfs/dbraw/zinc/51/25/57/949512557.db2.gz AIAIYIICYKMQMK-NSHDSACASA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574710710 949512541 /nfs/dbraw/zinc/51/25/41/949512541.db2.gz AIAIYIICYKMQMK-NSHDSACASA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711323 949532123 /nfs/dbraw/zinc/53/21/23/949532123.db2.gz GIMQEIKAYPEBMN-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711324 949533001 /nfs/dbraw/zinc/53/30/01/949533001.db2.gz GIMQEIKAYPEBMN-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711326 949531836 /nfs/dbraw/zinc/53/18/36/949531836.db2.gz GIMQEIKAYPEBMN-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711328 949531601 /nfs/dbraw/zinc/53/16/01/949531601.db2.gz GIMQEIKAYPEBMN-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711645 949545071 /nfs/dbraw/zinc/54/50/71/949545071.db2.gz JVEQVKYCACASAS-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711645 949545052 /nfs/dbraw/zinc/54/50/52/949545052.db2.gz JVEQVKYCACASAS-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711646 949547062 /nfs/dbraw/zinc/54/70/62/949547062.db2.gz JVEQVKYCACASAS-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711646 949547043 /nfs/dbraw/zinc/54/70/43/949547043.db2.gz JVEQVKYCACASAS-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711647 949546577 /nfs/dbraw/zinc/54/65/77/949546577.db2.gz JVEQVKYCACASAS-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711647 949546564 /nfs/dbraw/zinc/54/65/64/949546564.db2.gz JVEQVKYCACASAS-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711648 949547002 /nfs/dbraw/zinc/54/70/02/949547002.db2.gz JVEQVKYCACASAS-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711648 949546988 /nfs/dbraw/zinc/54/69/88/949546988.db2.gz JVEQVKYCACASAS-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711655 949544739 /nfs/dbraw/zinc/54/47/39/949544739.db2.gz JXNVKGVBVCWQGO-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711655 949544729 /nfs/dbraw/zinc/54/47/29/949544729.db2.gz JXNVKGVBVCWQGO-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711656 949546789 /nfs/dbraw/zinc/54/67/89/949546789.db2.gz JXNVKGVBVCWQGO-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711656 949546772 /nfs/dbraw/zinc/54/67/72/949546772.db2.gz JXNVKGVBVCWQGO-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711657 949544558 /nfs/dbraw/zinc/54/45/58/949544558.db2.gz JXNVKGVBVCWQGO-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711657 949544549 /nfs/dbraw/zinc/54/45/49/949544549.db2.gz JXNVKGVBVCWQGO-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711658 949548341 /nfs/dbraw/zinc/54/83/41/949548341.db2.gz JXNVKGVBVCWQGO-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711658 949548326 /nfs/dbraw/zinc/54/83/26/949548326.db2.gz JXNVKGVBVCWQGO-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711957 949563252 /nfs/dbraw/zinc/56/32/52/949563252.db2.gz OQFLHBZRAQXEIB-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711958 949564536 /nfs/dbraw/zinc/56/45/36/949564536.db2.gz OQFLHBZRAQXEIB-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711959 949564098 /nfs/dbraw/zinc/56/40/98/949564098.db2.gz OQFLHBZRAQXEIB-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711960 949564429 /nfs/dbraw/zinc/56/44/29/949564429.db2.gz OQFLHBZRAQXEIB-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712422 949580702 /nfs/dbraw/zinc/58/07/02/949580702.db2.gz SETBAKOGJVFULJ-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712422 949580688 /nfs/dbraw/zinc/58/06/88/949580688.db2.gz SETBAKOGJVFULJ-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712423 949578123 /nfs/dbraw/zinc/57/81/23/949578123.db2.gz SETBAKOGJVFULJ-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712423 949578098 /nfs/dbraw/zinc/57/80/98/949578098.db2.gz SETBAKOGJVFULJ-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712424 949581209 /nfs/dbraw/zinc/58/12/09/949581209.db2.gz SETBAKOGJVFULJ-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712424 949581195 /nfs/dbraw/zinc/58/11/95/949581195.db2.gz SETBAKOGJVFULJ-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712425 949578909 /nfs/dbraw/zinc/57/89/09/949578909.db2.gz SETBAKOGJVFULJ-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712425 949578902 /nfs/dbraw/zinc/57/89/02/949578902.db2.gz SETBAKOGJVFULJ-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712870 949587917 /nfs/dbraw/zinc/58/79/17/949587917.db2.gz UOXBJCUYXUAGTL-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712871 949589075 /nfs/dbraw/zinc/58/90/75/949589075.db2.gz UOXBJCUYXUAGTL-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712872 949591637 /nfs/dbraw/zinc/59/16/37/949591637.db2.gz UOXBJCUYXUAGTL-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712873 949590916 /nfs/dbraw/zinc/59/09/16/949590916.db2.gz UOXBJCUYXUAGTL-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712884 949590358 /nfs/dbraw/zinc/59/03/58/949590358.db2.gz UXNQJSOQMHQPOE-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712885 949589432 /nfs/dbraw/zinc/58/94/32/949589432.db2.gz UXNQJSOQMHQPOE-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712886 949590652 /nfs/dbraw/zinc/59/06/52/949590652.db2.gz UXNQJSOQMHQPOE-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574712887 949590454 /nfs/dbraw/zinc/59/04/54/949590454.db2.gz UXNQJSOQMHQPOE-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725913 949914784 /nfs/dbraw/zinc/91/47/84/949914784.db2.gz DHWISMKIGOYJOI-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725915 949914021 /nfs/dbraw/zinc/91/40/21/949914021.db2.gz DHWISMKIGOYJOI-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574726870 949944430 /nfs/dbraw/zinc/94/44/30/949944430.db2.gz MAYMAUXGXRVNFR-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574726870 949944415 /nfs/dbraw/zinc/94/44/15/949944415.db2.gz MAYMAUXGXRVNFR-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574726871 949943973 /nfs/dbraw/zinc/94/39/73/949943973.db2.gz MAYMAUXGXRVNFR-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574726871 949943956 /nfs/dbraw/zinc/94/39/56/949943956.db2.gz MAYMAUXGXRVNFR-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574726910 949950341 /nfs/dbraw/zinc/95/03/41/949950341.db2.gz MJLWDPQUGFHCDX-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574726912 949951591 /nfs/dbraw/zinc/95/15/91/949951591.db2.gz MJLWDPQUGFHCDX-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574727252 949962009 /nfs/dbraw/zinc/96/20/09/949962009.db2.gz QOEZZXWXKVNJPV-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574727252 949961990 /nfs/dbraw/zinc/96/19/90/949961990.db2.gz QOEZZXWXKVNJPV-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574727253 949960442 /nfs/dbraw/zinc/96/04/42/949960442.db2.gz QOEZZXWXKVNJPV-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574727253 949960424 /nfs/dbraw/zinc/96/04/24/949960424.db2.gz QOEZZXWXKVNJPV-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574727557 949969183 /nfs/dbraw/zinc/96/91/83/949969183.db2.gz VHJLXOOUKWVYLA-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574727557 949969162 /nfs/dbraw/zinc/96/91/62/949969162.db2.gz VHJLXOOUKWVYLA-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574727558 949971267 /nfs/dbraw/zinc/97/12/67/949971267.db2.gz VHJLXOOUKWVYLA-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574727558 949971254 /nfs/dbraw/zinc/97/12/54/949971254.db2.gz VHJLXOOUKWVYLA-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574727570 949972224 /nfs/dbraw/zinc/97/22/24/949972224.db2.gz VKGPZILIGFMETH-JTQLQIEISA-N 0 3 384.437 -0.013 20 0 GBADHN C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574727572 949970030 /nfs/dbraw/zinc/97/00/30/949970030.db2.gz VKGPZILIGFMETH-SNVBAGLBSA-N 0 3 384.437 -0.013 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574727578 949969406 /nfs/dbraw/zinc/96/94/06/949969406.db2.gz VPPIDBIRLLZOPH-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574727578 949969401 /nfs/dbraw/zinc/96/94/01/949969401.db2.gz VPPIDBIRLLZOPH-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574727579 949970618 /nfs/dbraw/zinc/97/06/18/949970618.db2.gz VPPIDBIRLLZOPH-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574727579 949970601 /nfs/dbraw/zinc/97/06/01/949970601.db2.gz VPPIDBIRLLZOPH-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574731451 950047752 /nfs/dbraw/zinc/04/77/52/950047752.db2.gz FAWCQGCJJXUVIY-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574731451 950047730 /nfs/dbraw/zinc/04/77/30/950047730.db2.gz FAWCQGCJJXUVIY-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574731452 950048712 /nfs/dbraw/zinc/04/87/12/950048712.db2.gz FAWCQGCJJXUVIY-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574731452 950048691 /nfs/dbraw/zinc/04/86/91/950048691.db2.gz FAWCQGCJJXUVIY-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574732076 950067096 /nfs/dbraw/zinc/06/70/96/950067096.db2.gz FWIMOAYGJGTFRL-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574732076 950067075 /nfs/dbraw/zinc/06/70/75/950067075.db2.gz FWIMOAYGJGTFRL-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574732084 950066627 /nfs/dbraw/zinc/06/66/27/950066627.db2.gz FWIMOAYGJGTFRL-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574732084 950066608 /nfs/dbraw/zinc/06/66/08/950066608.db2.gz FWIMOAYGJGTFRL-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574732242 950071226 /nfs/dbraw/zinc/07/12/26/950071226.db2.gz HQYBTYMRZCBBQZ-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574732242 950071210 /nfs/dbraw/zinc/07/12/10/950071210.db2.gz HQYBTYMRZCBBQZ-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574732243 950071163 /nfs/dbraw/zinc/07/11/63/950071163.db2.gz HQYBTYMRZCBBQZ-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574732243 950071144 /nfs/dbraw/zinc/07/11/44/950071144.db2.gz HQYBTYMRZCBBQZ-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574732861 950081364 /nfs/dbraw/zinc/08/13/64/950081364.db2.gz LIIHSHAZGSSSHS-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574732861 950081343 /nfs/dbraw/zinc/08/13/43/950081343.db2.gz LIIHSHAZGSSSHS-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574732863 950081732 /nfs/dbraw/zinc/08/17/32/950081732.db2.gz LIIHSHAZGSSSHS-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574732863 950081712 /nfs/dbraw/zinc/08/17/12/950081712.db2.gz LIIHSHAZGSSSHS-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574732896 950079562 /nfs/dbraw/zinc/07/95/62/950079562.db2.gz MDDAKIUMZHNKLO-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574732897 950081925 /nfs/dbraw/zinc/08/19/25/950081925.db2.gz MDDAKIUMZHNKLO-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574732898 950078841 /nfs/dbraw/zinc/07/88/41/950078841.db2.gz MEHQAVFUFAOQAS-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574732899 950078954 /nfs/dbraw/zinc/07/89/54/950078954.db2.gz MEHQAVFUFAOQAS-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574734104 950128387 /nfs/dbraw/zinc/12/83/87/950128387.db2.gz JBOQOTGDOCJMEK-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574734104 950128364 /nfs/dbraw/zinc/12/83/64/950128364.db2.gz JBOQOTGDOCJMEK-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574734105 950128569 /nfs/dbraw/zinc/12/85/69/950128569.db2.gz JBOQOTGDOCJMEK-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574734105 950128556 /nfs/dbraw/zinc/12/85/56/950128556.db2.gz JBOQOTGDOCJMEK-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574734457 950136435 /nfs/dbraw/zinc/13/64/35/950136435.db2.gz NEOQIFMOKIPQTN-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574734457 950136424 /nfs/dbraw/zinc/13/64/24/950136424.db2.gz NEOQIFMOKIPQTN-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574734458 950136042 /nfs/dbraw/zinc/13/60/42/950136042.db2.gz NEOQIFMOKIPQTN-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574734458 950136033 /nfs/dbraw/zinc/13/60/33/950136033.db2.gz NEOQIFMOKIPQTN-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574734693 950136547 /nfs/dbraw/zinc/13/65/47/950136547.db2.gz OHVRCQKPOSPUES-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574734694 950137376 /nfs/dbraw/zinc/13/73/76/950137376.db2.gz OHVRCQKPOSPUES-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574738839 950180093 /nfs/dbraw/zinc/18/00/93/950180093.db2.gz IIBCANYGGGKBOP-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574738839 950180083 /nfs/dbraw/zinc/18/00/83/950180083.db2.gz IIBCANYGGGKBOP-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574738841 950179045 /nfs/dbraw/zinc/17/90/45/950179045.db2.gz IIBCANYGGGKBOP-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574738841 950179030 /nfs/dbraw/zinc/17/90/30/950179030.db2.gz IIBCANYGGGKBOP-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574738843 950178196 /nfs/dbraw/zinc/17/81/96/950178196.db2.gz IIBCANYGGGKBOP-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574738843 950178186 /nfs/dbraw/zinc/17/81/86/950178186.db2.gz IIBCANYGGGKBOP-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574738845 950178910 /nfs/dbraw/zinc/17/89/10/950178910.db2.gz IIBCANYGGGKBOP-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574738845 950178893 /nfs/dbraw/zinc/17/88/93/950178893.db2.gz IIBCANYGGGKBOP-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC[NH+](C)C ZINC001574740002 950221041 /nfs/dbraw/zinc/22/10/41/950221041.db2.gz AUCKCXJNVHGMJE-LLVKDONJSA-N 0 3 378.437 -0.650 20 0 GBADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC[NH+](C)C ZINC001574740003 950221798 /nfs/dbraw/zinc/22/17/98/950221798.db2.gz AUCKCXJNVHGMJE-NSHDSACASA-N 0 3 378.437 -0.650 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574742066 950262326 /nfs/dbraw/zinc/26/23/26/950262326.db2.gz KVKXTTNZMWOKPN-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574742066 950262303 /nfs/dbraw/zinc/26/23/03/950262303.db2.gz KVKXTTNZMWOKPN-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574742067 950265803 /nfs/dbraw/zinc/26/58/03/950265803.db2.gz KVKXTTNZMWOKPN-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574742067 950265781 /nfs/dbraw/zinc/26/57/81/950265781.db2.gz KVKXTTNZMWOKPN-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574742272 950279945 /nfs/dbraw/zinc/27/99/45/950279945.db2.gz NGJQNLDBBNVGCH-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574742272 950279924 /nfs/dbraw/zinc/27/99/24/950279924.db2.gz NGJQNLDBBNVGCH-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574742273 950278819 /nfs/dbraw/zinc/27/88/19/950278819.db2.gz NGJQNLDBBNVGCH-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574742273 950278810 /nfs/dbraw/zinc/27/88/10/950278810.db2.gz NGJQNLDBBNVGCH-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574742615 950297025 /nfs/dbraw/zinc/29/70/25/950297025.db2.gz PZNVCNCCMGQALZ-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574742616 950300148 /nfs/dbraw/zinc/30/01/48/950300148.db2.gz PZNVCNCCMGQALZ-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574745826 950387940 /nfs/dbraw/zinc/38/79/40/950387940.db2.gz KWSNOQRPPWUDEI-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574745826 950387921 /nfs/dbraw/zinc/38/79/21/950387921.db2.gz KWSNOQRPPWUDEI-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574745828 950388689 /nfs/dbraw/zinc/38/86/89/950388689.db2.gz KWSNOQRPPWUDEI-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574745828 950388668 /nfs/dbraw/zinc/38/86/68/950388668.db2.gz KWSNOQRPPWUDEI-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574745829 950386604 /nfs/dbraw/zinc/38/66/04/950386604.db2.gz KWSNOQRPPWUDEI-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574745829 950386586 /nfs/dbraw/zinc/38/65/86/950386586.db2.gz KWSNOQRPPWUDEI-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574745831 950385124 /nfs/dbraw/zinc/38/51/24/950385124.db2.gz KWSNOQRPPWUDEI-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574745831 950385102 /nfs/dbraw/zinc/38/51/02/950385102.db2.gz KWSNOQRPPWUDEI-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574747864 950421708 /nfs/dbraw/zinc/42/17/08/950421708.db2.gz ZIAFEXSSXCFMEW-AAEUAGOBSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574747864 950421700 /nfs/dbraw/zinc/42/17/00/950421700.db2.gz ZIAFEXSSXCFMEW-AAEUAGOBSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574747865 950423106 /nfs/dbraw/zinc/42/31/06/950423106.db2.gz ZIAFEXSSXCFMEW-YPMHNXCESA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574747865 950423088 /nfs/dbraw/zinc/42/30/88/950423088.db2.gz ZIAFEXSSXCFMEW-YPMHNXCESA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574752798 950498796 /nfs/dbraw/zinc/49/87/96/950498796.db2.gz AGYGMWDRGHTHPL-NEPJUHHUSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574752798 950498745 /nfs/dbraw/zinc/49/87/45/950498745.db2.gz AGYGMWDRGHTHPL-NEPJUHHUSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574752799 950499555 /nfs/dbraw/zinc/49/95/55/950499555.db2.gz AGYGMWDRGHTHPL-RYUDHWBXSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574752799 950499543 /nfs/dbraw/zinc/49/95/43/950499543.db2.gz AGYGMWDRGHTHPL-RYUDHWBXSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574755790 950600771 /nfs/dbraw/zinc/60/07/71/950600771.db2.gz WCSOKNNXHOQWEN-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574755790 950600762 /nfs/dbraw/zinc/60/07/62/950600762.db2.gz WCSOKNNXHOQWEN-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574755791 950599941 /nfs/dbraw/zinc/59/99/41/950599941.db2.gz WCSOKNNXHOQWEN-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574755791 950599928 /nfs/dbraw/zinc/59/99/28/950599928.db2.gz WCSOKNNXHOQWEN-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574755792 950600813 /nfs/dbraw/zinc/60/08/13/950600813.db2.gz WCSOKNNXHOQWEN-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574755792 950600803 /nfs/dbraw/zinc/60/08/03/950600803.db2.gz WCSOKNNXHOQWEN-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574755793 950598535 /nfs/dbraw/zinc/59/85/35/950598535.db2.gz WCSOKNNXHOQWEN-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574755793 950598516 /nfs/dbraw/zinc/59/85/16/950598516.db2.gz WCSOKNNXHOQWEN-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[N@@H+](C)CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574772152 950960098 /nfs/dbraw/zinc/96/00/98/950960098.db2.gz QESVHCUYKVWHQE-JTQLQIEISA-N 0 3 389.420 -0.813 20 0 GBADHN C[C@@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574772152 950960084 /nfs/dbraw/zinc/96/00/84/950960084.db2.gz QESVHCUYKVWHQE-JTQLQIEISA-N 0 3 389.420 -0.813 20 0 GBADHN C[C@H](C[N@@H+](C)CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574772153 950956626 /nfs/dbraw/zinc/95/66/26/950956626.db2.gz QESVHCUYKVWHQE-SNVBAGLBSA-N 0 3 389.420 -0.813 20 0 GBADHN C[C@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574772153 950956611 /nfs/dbraw/zinc/95/66/11/950956611.db2.gz QESVHCUYKVWHQE-SNVBAGLBSA-N 0 3 389.420 -0.813 20 0 GBADHN C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574918325 948841241 /nfs/dbraw/zinc/84/12/41/948841241.db2.gz JDHMQWCJZPRDHA-LLVKDONJSA-N 0 3 381.462 -0.470 20 0 GBADHN C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574918325 948841229 /nfs/dbraw/zinc/84/12/29/948841229.db2.gz JDHMQWCJZPRDHA-LLVKDONJSA-N 0 3 381.462 -0.470 20 0 GBADHN C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574918327 948840575 /nfs/dbraw/zinc/84/05/75/948840575.db2.gz JDHMQWCJZPRDHA-NSHDSACASA-N 0 3 381.462 -0.470 20 0 GBADHN C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574918327 948840559 /nfs/dbraw/zinc/84/05/59/948840559.db2.gz JDHMQWCJZPRDHA-NSHDSACASA-N 0 3 381.462 -0.470 20 0 GBADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574923347 948946118 /nfs/dbraw/zinc/94/61/18/948946118.db2.gz KFLQGELJPBWLPL-GFCCVEGCSA-N 0 3 385.432 -0.554 20 0 GBADHN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574923348 948944994 /nfs/dbraw/zinc/94/49/94/948944994.db2.gz KFLQGELJPBWLPL-LBPRGKRZSA-N 0 3 385.432 -0.554 20 0 GBADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574923945 948964205 /nfs/dbraw/zinc/96/42/05/948964205.db2.gz UPAARVKMYLSEBR-GFCCVEGCSA-N 0 3 385.432 -0.554 20 0 GBADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574923945 948964194 /nfs/dbraw/zinc/96/41/94/948964194.db2.gz UPAARVKMYLSEBR-GFCCVEGCSA-N 0 3 385.432 -0.554 20 0 GBADHN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574923946 948962529 /nfs/dbraw/zinc/96/25/29/948962529.db2.gz UPAARVKMYLSEBR-LBPRGKRZSA-N 0 3 385.432 -0.554 20 0 GBADHN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574923946 948962517 /nfs/dbraw/zinc/96/25/17/948962517.db2.gz UPAARVKMYLSEBR-LBPRGKRZSA-N 0 3 385.432 -0.554 20 0 GBADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574925743 948977119 /nfs/dbraw/zinc/97/71/19/948977119.db2.gz CZCZJGYMUQMCOV-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574925745 948977010 /nfs/dbraw/zinc/97/70/10/948977010.db2.gz CZCZJGYMUQMCOV-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574926118 948987357 /nfs/dbraw/zinc/98/73/57/948987357.db2.gz ITTCHRCFTQJZBZ-LLVKDONJSA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574926119 948987720 /nfs/dbraw/zinc/98/77/20/948987720.db2.gz ITTCHRCFTQJZBZ-NSHDSACASA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574926224 948989786 /nfs/dbraw/zinc/98/97/86/948989786.db2.gz LFZGTJJUCJEXCK-LLVKDONJSA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574926224 948989781 /nfs/dbraw/zinc/98/97/81/948989781.db2.gz LFZGTJJUCJEXCK-LLVKDONJSA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574926225 948990694 /nfs/dbraw/zinc/99/06/94/948990694.db2.gz LFZGTJJUCJEXCK-NSHDSACASA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574926225 948990681 /nfs/dbraw/zinc/99/06/81/948990681.db2.gz LFZGTJJUCJEXCK-NSHDSACASA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574926310 948992873 /nfs/dbraw/zinc/99/28/73/948992873.db2.gz NGLYIINXXNMEEY-LLVKDONJSA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574926310 948992864 /nfs/dbraw/zinc/99/28/64/948992864.db2.gz NGLYIINXXNMEEY-LLVKDONJSA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574926311 948995590 /nfs/dbraw/zinc/99/55/90/948995590.db2.gz NGLYIINXXNMEEY-NSHDSACASA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574926311 948995583 /nfs/dbraw/zinc/99/55/83/948995583.db2.gz NGLYIINXXNMEEY-NSHDSACASA-N 0 3 386.416 -0.597 20 0 GBADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574926748 949023066 /nfs/dbraw/zinc/02/30/66/949023066.db2.gz WQTFJOPXPHRIAJ-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574926748 949023046 /nfs/dbraw/zinc/02/30/46/949023046.db2.gz WQTFJOPXPHRIAJ-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574926749 949020125 /nfs/dbraw/zinc/02/01/25/949020125.db2.gz WQTFJOPXPHRIAJ-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574926749 949020107 /nfs/dbraw/zinc/02/01/07/949020107.db2.gz WQTFJOPXPHRIAJ-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574926828 949027423 /nfs/dbraw/zinc/02/74/23/949027423.db2.gz YHTAGFNUGNXZCF-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574926828 949027403 /nfs/dbraw/zinc/02/74/03/949027403.db2.gz YHTAGFNUGNXZCF-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574926829 949027246 /nfs/dbraw/zinc/02/72/46/949027246.db2.gz YHTAGFNUGNXZCF-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574926829 949027227 /nfs/dbraw/zinc/02/72/27/949027227.db2.gz YHTAGFNUGNXZCF-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574927196 949034551 /nfs/dbraw/zinc/03/45/51/949034551.db2.gz GYZTUEABKUAGSX-LLVKDONJSA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574927197 949034502 /nfs/dbraw/zinc/03/45/02/949034502.db2.gz GYZTUEABKUAGSX-NSHDSACASA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574927230 949041477 /nfs/dbraw/zinc/04/14/77/949041477.db2.gz HYGHLJKNIDOLNO-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574927230 949041453 /nfs/dbraw/zinc/04/14/53/949041453.db2.gz HYGHLJKNIDOLNO-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574927231 949040119 /nfs/dbraw/zinc/04/01/19/949040119.db2.gz HYGHLJKNIDOLNO-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574927231 949040098 /nfs/dbraw/zinc/04/00/98/949040098.db2.gz HYGHLJKNIDOLNO-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574927485 949047131 /nfs/dbraw/zinc/04/71/31/949047131.db2.gz JJKRTJSFHDIXFA-GFCCVEGCSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574927485 949047111 /nfs/dbraw/zinc/04/71/11/949047111.db2.gz JJKRTJSFHDIXFA-GFCCVEGCSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574927487 949045397 /nfs/dbraw/zinc/04/53/97/949045397.db2.gz JJKRTJSFHDIXFA-LBPRGKRZSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574927487 949045378 /nfs/dbraw/zinc/04/53/78/949045378.db2.gz JJKRTJSFHDIXFA-LBPRGKRZSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574927518 949043401 /nfs/dbraw/zinc/04/34/01/949043401.db2.gz JTJXWZZHIULFAO-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574927518 949043382 /nfs/dbraw/zinc/04/33/82/949043382.db2.gz JTJXWZZHIULFAO-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574927518 949043364 /nfs/dbraw/zinc/04/33/64/949043364.db2.gz JTJXWZZHIULFAO-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574927518 949043344 /nfs/dbraw/zinc/04/33/44/949043344.db2.gz JTJXWZZHIULFAO-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574927520 949046111 /nfs/dbraw/zinc/04/61/11/949046111.db2.gz JTJXWZZHIULFAO-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574927520 949046090 /nfs/dbraw/zinc/04/60/90/949046090.db2.gz JTJXWZZHIULFAO-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574927520 949046069 /nfs/dbraw/zinc/04/60/69/949046069.db2.gz JTJXWZZHIULFAO-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574927520 949046049 /nfs/dbraw/zinc/04/60/49/949046049.db2.gz JTJXWZZHIULFAO-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574927535 949043860 /nfs/dbraw/zinc/04/38/60/949043860.db2.gz JVXAFZUFHYWCCS-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574927536 949045286 /nfs/dbraw/zinc/04/52/86/949045286.db2.gz JVXAFZUFHYWCCS-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574927873 949050030 /nfs/dbraw/zinc/05/00/30/949050030.db2.gz MCEPCAQZJUYBEC-GFCCVEGCSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574927874 949052065 /nfs/dbraw/zinc/05/20/65/949052065.db2.gz MCEPCAQZJUYBEC-LBPRGKRZSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574928583 949058040 /nfs/dbraw/zinc/05/80/40/949058040.db2.gz OXTZHOMANQLKLG-LLVKDONJSA-N 0 3 390.423 -0.968 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574928585 949056793 /nfs/dbraw/zinc/05/67/93/949056793.db2.gz OXTZHOMANQLKLG-NSHDSACASA-N 0 3 390.423 -0.968 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574928587 949057103 /nfs/dbraw/zinc/05/71/03/949057103.db2.gz OZCSUEDOTRBFDH-LLVKDONJSA-N 0 3 390.423 -0.968 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574928587 949057083 /nfs/dbraw/zinc/05/70/83/949057083.db2.gz OZCSUEDOTRBFDH-LLVKDONJSA-N 0 3 390.423 -0.968 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574928589 949061002 /nfs/dbraw/zinc/06/10/02/949061002.db2.gz OZCSUEDOTRBFDH-NSHDSACASA-N 0 3 390.423 -0.968 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574928589 949060987 /nfs/dbraw/zinc/06/09/87/949060987.db2.gz OZCSUEDOTRBFDH-NSHDSACASA-N 0 3 390.423 -0.968 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574928621 949060226 /nfs/dbraw/zinc/06/02/26/949060226.db2.gz PRNWWOGGILTCSI-LLVKDONJSA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928621 949060208 /nfs/dbraw/zinc/06/02/08/949060208.db2.gz PRNWWOGGILTCSI-LLVKDONJSA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574928622 949057327 /nfs/dbraw/zinc/05/73/27/949057327.db2.gz PRNWWOGGILTCSI-NSHDSACASA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928622 949057307 /nfs/dbraw/zinc/05/73/07/949057307.db2.gz PRNWWOGGILTCSI-NSHDSACASA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574928707 949063734 /nfs/dbraw/zinc/06/37/34/949063734.db2.gz RHIMVHWQKALVOQ-GFCCVEGCSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928707 949063714 /nfs/dbraw/zinc/06/37/14/949063714.db2.gz RHIMVHWQKALVOQ-GFCCVEGCSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574928708 949065664 /nfs/dbraw/zinc/06/56/64/949065664.db2.gz RHIMVHWQKALVOQ-LBPRGKRZSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928708 949065645 /nfs/dbraw/zinc/06/56/45/949065645.db2.gz RHIMVHWQKALVOQ-LBPRGKRZSA-N 0 3 377.424 -0.068 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929023 949073361 /nfs/dbraw/zinc/07/33/61/949073361.db2.gz VYMSRXCAHAKHGX-LLVKDONJSA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929023 949073339 /nfs/dbraw/zinc/07/33/39/949073339.db2.gz VYMSRXCAHAKHGX-LLVKDONJSA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929024 949073966 /nfs/dbraw/zinc/07/39/66/949073966.db2.gz VYMSRXCAHAKHGX-NSHDSACASA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929024 949073947 /nfs/dbraw/zinc/07/39/47/949073947.db2.gz VYMSRXCAHAKHGX-NSHDSACASA-N 0 3 391.407 -0.541 20 0 GBADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574929111 949077096 /nfs/dbraw/zinc/07/70/96/949077096.db2.gz YPHONYNCKPDDKZ-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574929111 949077080 /nfs/dbraw/zinc/07/70/80/949077080.db2.gz YPHONYNCKPDDKZ-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574929112 949079295 /nfs/dbraw/zinc/07/92/95/949079295.db2.gz YPHONYNCKPDDKZ-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574929112 949079278 /nfs/dbraw/zinc/07/92/78/949079278.db2.gz YPHONYNCKPDDKZ-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574929563 949096696 /nfs/dbraw/zinc/09/66/96/949096696.db2.gz GLTKIGOXENCSNV-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574929563 949096676 /nfs/dbraw/zinc/09/66/76/949096676.db2.gz GLTKIGOXENCSNV-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574929565 949097954 /nfs/dbraw/zinc/09/79/54/949097954.db2.gz GLTKIGOXENCSNV-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574929565 949097930 /nfs/dbraw/zinc/09/79/30/949097930.db2.gz GLTKIGOXENCSNV-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574929789 949101589 /nfs/dbraw/zinc/10/15/89/949101589.db2.gz HRVKDEGOGHSHNW-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574929789 949101579 /nfs/dbraw/zinc/10/15/79/949101579.db2.gz HRVKDEGOGHSHNW-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574929791 949101153 /nfs/dbraw/zinc/10/11/53/949101153.db2.gz HRVKDEGOGHSHNW-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574929791 949101143 /nfs/dbraw/zinc/10/11/43/949101143.db2.gz HRVKDEGOGHSHNW-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574930158 949103881 /nfs/dbraw/zinc/10/38/81/949103881.db2.gz JRABMINIUVDEKX-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574930158 949103869 /nfs/dbraw/zinc/10/38/69/949103869.db2.gz JRABMINIUVDEKX-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574930161 949104406 /nfs/dbraw/zinc/10/44/06/949104406.db2.gz JRABMINIUVDEKX-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574930161 949104393 /nfs/dbraw/zinc/10/43/93/949104393.db2.gz JRABMINIUVDEKX-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574934006 949145637 /nfs/dbraw/zinc/14/56/37/949145637.db2.gz AJWXKTBAZRKAGR-GFCCVEGCSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574934007 949146406 /nfs/dbraw/zinc/14/64/06/949146406.db2.gz AJWXKTBAZRKAGR-LBPRGKRZSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574934012 949146344 /nfs/dbraw/zinc/14/63/44/949146344.db2.gz AOTXWBFYQOQCGL-GFCCVEGCSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574934012 949146327 /nfs/dbraw/zinc/14/63/27/949146327.db2.gz AOTXWBFYQOQCGL-GFCCVEGCSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574934014 949147693 /nfs/dbraw/zinc/14/76/93/949147693.db2.gz AOTXWBFYQOQCGL-LBPRGKRZSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574934014 949147675 /nfs/dbraw/zinc/14/76/75/949147675.db2.gz AOTXWBFYQOQCGL-LBPRGKRZSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574934570 949168591 /nfs/dbraw/zinc/16/85/91/949168591.db2.gz LFHFSZRJAOFJGH-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574934570 949168582 /nfs/dbraw/zinc/16/85/82/949168582.db2.gz LFHFSZRJAOFJGH-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574934571 949168411 /nfs/dbraw/zinc/16/84/11/949168411.db2.gz LFHFSZRJAOFJGH-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574934571 949168402 /nfs/dbraw/zinc/16/84/02/949168402.db2.gz LFHFSZRJAOFJGH-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574934604 949168176 /nfs/dbraw/zinc/16/81/76/949168176.db2.gz LWJQRLPCUKPFMZ-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574934604 949168168 /nfs/dbraw/zinc/16/81/68/949168168.db2.gz LWJQRLPCUKPFMZ-LLVKDONJSA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574934605 949168460 /nfs/dbraw/zinc/16/84/60/949168460.db2.gz LWJQRLPCUKPFMZ-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574934605 949168455 /nfs/dbraw/zinc/16/84/55/949168455.db2.gz LWJQRLPCUKPFMZ-NSHDSACASA-N 0 3 381.462 -0.648 20 0 GBADHN C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574934776 949180666 /nfs/dbraw/zinc/18/06/66/949180666.db2.gz QIIWAOZHZHFEEJ-GFCCVEGCSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574934776 949180656 /nfs/dbraw/zinc/18/06/56/949180656.db2.gz QIIWAOZHZHFEEJ-GFCCVEGCSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574934777 949178761 /nfs/dbraw/zinc/17/87/61/949178761.db2.gz QIIWAOZHZHFEEJ-LBPRGKRZSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574934777 949178745 /nfs/dbraw/zinc/17/87/45/949178745.db2.gz QIIWAOZHZHFEEJ-LBPRGKRZSA-N 0 3 385.432 -0.194 20 0 GBADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574948441 949462285 /nfs/dbraw/zinc/46/22/85/949462285.db2.gz IZYLPUDROASCFX-LLVKDONJSA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574948441 949462274 /nfs/dbraw/zinc/46/22/74/949462274.db2.gz IZYLPUDROASCFX-LLVKDONJSA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574948445 949463484 /nfs/dbraw/zinc/46/34/84/949463484.db2.gz IZYLPUDROASCFX-NSHDSACASA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574948445 949463472 /nfs/dbraw/zinc/46/34/72/949463472.db2.gz IZYLPUDROASCFX-NSHDSACASA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574948741 949474033 /nfs/dbraw/zinc/47/40/33/949474033.db2.gz MGKQFVGAGMTZSU-LLVKDONJSA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574948742 949473997 /nfs/dbraw/zinc/47/39/97/949473997.db2.gz MGKQFVGAGMTZSU-NSHDSACASA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574948925 949477632 /nfs/dbraw/zinc/47/76/32/949477632.db2.gz OJERNIBCIXSUNT-LLVKDONJSA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574948925 949477621 /nfs/dbraw/zinc/47/76/21/949477621.db2.gz OJERNIBCIXSUNT-LLVKDONJSA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574948928 949478041 /nfs/dbraw/zinc/47/80/41/949478041.db2.gz OJERNIBCIXSUNT-NSHDSACASA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574948928 949478020 /nfs/dbraw/zinc/47/80/20/949478020.db2.gz OJERNIBCIXSUNT-NSHDSACASA-N 0 3 384.400 -0.577 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574949700 949506519 /nfs/dbraw/zinc/50/65/19/949506519.db2.gz AZQDGHKIBDDPNM-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574949700 949506500 /nfs/dbraw/zinc/50/65/00/949506500.db2.gz AZQDGHKIBDDPNM-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574949700 949506485 /nfs/dbraw/zinc/50/64/85/949506485.db2.gz AZQDGHKIBDDPNM-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574949700 949506471 /nfs/dbraw/zinc/50/64/71/949506471.db2.gz AZQDGHKIBDDPNM-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574949701 949504016 /nfs/dbraw/zinc/50/40/16/949504016.db2.gz AZQDGHKIBDDPNM-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574949701 949504003 /nfs/dbraw/zinc/50/40/03/949504003.db2.gz AZQDGHKIBDDPNM-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574949701 949503994 /nfs/dbraw/zinc/50/39/94/949503994.db2.gz AZQDGHKIBDDPNM-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574949701 949503977 /nfs/dbraw/zinc/50/39/77/949503977.db2.gz AZQDGHKIBDDPNM-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574949964 949525372 /nfs/dbraw/zinc/52/53/72/949525372.db2.gz IGXDKRPDWPIAHV-PELKAZGASA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574949965 949525338 /nfs/dbraw/zinc/52/53/38/949525338.db2.gz IGXDKRPDWPIAHV-UFBFGSQYSA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574950030 949525774 /nfs/dbraw/zinc/52/57/74/949525774.db2.gz KAYCUFZGLVEJSQ-JTQLQIEISA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574950030 949525753 /nfs/dbraw/zinc/52/57/53/949525753.db2.gz KAYCUFZGLVEJSQ-JTQLQIEISA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574950031 949525452 /nfs/dbraw/zinc/52/54/52/949525452.db2.gz KAYCUFZGLVEJSQ-SNVBAGLBSA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574950031 949525440 /nfs/dbraw/zinc/52/54/40/949525440.db2.gz KAYCUFZGLVEJSQ-SNVBAGLBSA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574950784 949543399 /nfs/dbraw/zinc/54/33/99/949543399.db2.gz UFLZHEXJACMONP-PELKAZGASA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574950784 949543377 /nfs/dbraw/zinc/54/33/77/949543377.db2.gz UFLZHEXJACMONP-PELKAZGASA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574950786 949542480 /nfs/dbraw/zinc/54/24/80/949542480.db2.gz UFLZHEXJACMONP-UFBFGSQYSA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574950786 949542465 /nfs/dbraw/zinc/54/24/65/949542465.db2.gz UFLZHEXJACMONP-UFBFGSQYSA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574951040 949554517 /nfs/dbraw/zinc/55/45/17/949554517.db2.gz WZLLILSYQFXKPC-PELKAZGASA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574951040 949554505 /nfs/dbraw/zinc/55/45/05/949554505.db2.gz WZLLILSYQFXKPC-PELKAZGASA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574951041 949553420 /nfs/dbraw/zinc/55/34/20/949553420.db2.gz WZLLILSYQFXKPC-UFBFGSQYSA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574951041 949553405 /nfs/dbraw/zinc/55/34/05/949553405.db2.gz WZLLILSYQFXKPC-UFBFGSQYSA-N 0 3 390.379 -0.802 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574951287 949553849 /nfs/dbraw/zinc/55/38/49/949553849.db2.gz YHWAHDVYYCGALY-JTQLQIEISA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574951288 949551598 /nfs/dbraw/zinc/55/15/98/949551598.db2.gz YHWAHDVYYCGALY-SNVBAGLBSA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574951334 949555747 /nfs/dbraw/zinc/55/57/47/949555747.db2.gz ZGIJPNFYXRALOI-JTQLQIEISA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574951334 949555735 /nfs/dbraw/zinc/55/57/35/949555735.db2.gz ZGIJPNFYXRALOI-JTQLQIEISA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574951335 949557817 /nfs/dbraw/zinc/55/78/17/949557817.db2.gz ZGIJPNFYXRALOI-SNVBAGLBSA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574951335 949557800 /nfs/dbraw/zinc/55/78/00/949557800.db2.gz ZGIJPNFYXRALOI-SNVBAGLBSA-N 0 3 389.395 -0.805 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957803 949632301 /nfs/dbraw/zinc/63/23/01/949632301.db2.gz ISEDBCCBVMZXPQ-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957803 949632290 /nfs/dbraw/zinc/63/22/90/949632290.db2.gz ISEDBCCBVMZXPQ-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957804 949631449 /nfs/dbraw/zinc/63/14/49/949631449.db2.gz ISEDBCCBVMZXPQ-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957804 949631431 /nfs/dbraw/zinc/63/14/31/949631431.db2.gz ISEDBCCBVMZXPQ-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574963777 949758399 /nfs/dbraw/zinc/75/83/99/949758399.db2.gz MZBIAVLXEDYTMD-BIGNPOOSSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574963778 949761475 /nfs/dbraw/zinc/76/14/75/949761475.db2.gz MZBIAVLXEDYTMD-QCZZGDTMSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574963971 949760622 /nfs/dbraw/zinc/76/06/22/949760622.db2.gz NPHXAXHTUSJCTK-BIGNPOOSSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574963971 949760614 /nfs/dbraw/zinc/76/06/14/949760614.db2.gz NPHXAXHTUSJCTK-BIGNPOOSSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574963973 949760985 /nfs/dbraw/zinc/76/09/85/949760985.db2.gz NPHXAXHTUSJCTK-QCZZGDTMSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574963973 949760971 /nfs/dbraw/zinc/76/09/71/949760971.db2.gz NPHXAXHTUSJCTK-QCZZGDTMSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964426 949775658 /nfs/dbraw/zinc/77/56/58/949775658.db2.gz WIHNYZFHFZVJNE-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964426 949775644 /nfs/dbraw/zinc/77/56/44/949775644.db2.gz WIHNYZFHFZVJNE-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964426 949775624 /nfs/dbraw/zinc/77/56/24/949775624.db2.gz WIHNYZFHFZVJNE-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964426 949775604 /nfs/dbraw/zinc/77/56/04/949775604.db2.gz WIHNYZFHFZVJNE-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964427 949777601 /nfs/dbraw/zinc/77/76/01/949777601.db2.gz WIHNYZFHFZVJNE-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964427 949777585 /nfs/dbraw/zinc/77/75/85/949777585.db2.gz WIHNYZFHFZVJNE-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964427 949777567 /nfs/dbraw/zinc/77/75/67/949777567.db2.gz WIHNYZFHFZVJNE-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964427 949777550 /nfs/dbraw/zinc/77/75/50/949777550.db2.gz WIHNYZFHFZVJNE-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574964477 949781570 /nfs/dbraw/zinc/78/15/70/949781570.db2.gz XFJOVFKIXGGWFN-BIGNPOOSSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964477 949781554 /nfs/dbraw/zinc/78/15/54/949781554.db2.gz XFJOVFKIXGGWFN-BIGNPOOSSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574964479 949782957 /nfs/dbraw/zinc/78/29/57/949782957.db2.gz XFJOVFKIXGGWFN-QCZZGDTMSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964479 949782942 /nfs/dbraw/zinc/78/29/42/949782942.db2.gz XFJOVFKIXGGWFN-QCZZGDTMSA-N 0 3 391.407 -0.367 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574975656 950039464 /nfs/dbraw/zinc/03/94/64/950039464.db2.gz IXYGAHZCWFPMAO-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574975656 950039444 /nfs/dbraw/zinc/03/94/44/950039444.db2.gz IXYGAHZCWFPMAO-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574975659 950038767 /nfs/dbraw/zinc/03/87/67/950038767.db2.gz IXYGAHZCWFPMAO-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574975659 950038745 /nfs/dbraw/zinc/03/87/45/950038745.db2.gz IXYGAHZCWFPMAO-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574976836 950101446 /nfs/dbraw/zinc/10/14/46/950101446.db2.gz BXMSTTKBHJHZKN-PSASIEDQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574976836 950101437 /nfs/dbraw/zinc/10/14/37/950101437.db2.gz BXMSTTKBHJHZKN-PSASIEDQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574976837 950100875 /nfs/dbraw/zinc/10/08/75/950100875.db2.gz BXMSTTKBHJHZKN-SCZZXKLOSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574976837 950100868 /nfs/dbraw/zinc/10/08/68/950100868.db2.gz BXMSTTKBHJHZKN-SCZZXKLOSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574976838 950101549 /nfs/dbraw/zinc/10/15/49/950101549.db2.gz BXMSTTKBHJHZKN-WCBMZHEXSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574976838 950101538 /nfs/dbraw/zinc/10/15/38/950101538.db2.gz BXMSTTKBHJHZKN-WCBMZHEXSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574976839 950101159 /nfs/dbraw/zinc/10/11/59/950101159.db2.gz BXMSTTKBHJHZKN-WPRPVWTQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574976839 950101152 /nfs/dbraw/zinc/10/11/52/950101152.db2.gz BXMSTTKBHJHZKN-WPRPVWTQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574977112 950112634 /nfs/dbraw/zinc/11/26/34/950112634.db2.gz HFZIYFALICHJJE-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574977112 950112614 /nfs/dbraw/zinc/11/26/14/950112614.db2.gz HFZIYFALICHJJE-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574977113 950112346 /nfs/dbraw/zinc/11/23/46/950112346.db2.gz HFZIYFALICHJJE-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574977113 950112339 /nfs/dbraw/zinc/11/23/39/950112339.db2.gz HFZIYFALICHJJE-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574977114 950111561 /nfs/dbraw/zinc/11/15/61/950111561.db2.gz HFZIYFALICHJJE-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574977114 950111549 /nfs/dbraw/zinc/11/15/49/950111549.db2.gz HFZIYFALICHJJE-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574977115 950111936 /nfs/dbraw/zinc/11/19/36/950111936.db2.gz HFZIYFALICHJJE-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574977115 950111923 /nfs/dbraw/zinc/11/19/23/950111923.db2.gz HFZIYFALICHJJE-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574977248 950112474 /nfs/dbraw/zinc/11/24/74/950112474.db2.gz IHJBJIORMHQJFN-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574977248 950112464 /nfs/dbraw/zinc/11/24/64/950112464.db2.gz IHJBJIORMHQJFN-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574977249 950113496 /nfs/dbraw/zinc/11/34/96/950113496.db2.gz IHJBJIORMHQJFN-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574977249 950113485 /nfs/dbraw/zinc/11/34/85/950113485.db2.gz IHJBJIORMHQJFN-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574977283 950118756 /nfs/dbraw/zinc/11/87/56/950118756.db2.gz JMRBLAXNNYHONV-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574977284 950116816 /nfs/dbraw/zinc/11/68/16/950116816.db2.gz JMRBLAXNNYHONV-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574990406 950371757 /nfs/dbraw/zinc/37/17/57/950371757.db2.gz BOEZQNFJTAUURK-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574990406 950371735 /nfs/dbraw/zinc/37/17/35/950371735.db2.gz BOEZQNFJTAUURK-LLVKDONJSA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574990407 950369777 /nfs/dbraw/zinc/36/97/77/950369777.db2.gz BOEZQNFJTAUURK-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574990407 950369758 /nfs/dbraw/zinc/36/97/58/950369758.db2.gz BOEZQNFJTAUURK-NSHDSACASA-N 0 3 390.448 -0.460 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574992359 950439805 /nfs/dbraw/zinc/43/98/05/950439805.db2.gz ASFQCVMLHIHRHD-PSASIEDQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574992359 950439785 /nfs/dbraw/zinc/43/97/85/950439785.db2.gz ASFQCVMLHIHRHD-PSASIEDQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574992360 950440062 /nfs/dbraw/zinc/44/00/62/950440062.db2.gz ASFQCVMLHIHRHD-SCZZXKLOSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574992360 950440045 /nfs/dbraw/zinc/44/00/45/950440045.db2.gz ASFQCVMLHIHRHD-SCZZXKLOSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574992361 950441056 /nfs/dbraw/zinc/44/10/56/950441056.db2.gz ASFQCVMLHIHRHD-WCBMZHEXSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574992361 950441046 /nfs/dbraw/zinc/44/10/46/950441046.db2.gz ASFQCVMLHIHRHD-WCBMZHEXSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574992362 950440507 /nfs/dbraw/zinc/44/05/07/950440507.db2.gz ASFQCVMLHIHRHD-WPRPVWTQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574992362 950440492 /nfs/dbraw/zinc/44/04/92/950440492.db2.gz ASFQCVMLHIHRHD-WPRPVWTQSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574992375 950445781 /nfs/dbraw/zinc/44/57/81/950445781.db2.gz BBMWNXUTJRAHCT-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574992375 950445766 /nfs/dbraw/zinc/44/57/66/950445766.db2.gz BBMWNXUTJRAHCT-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574992376 950447156 /nfs/dbraw/zinc/44/71/56/950447156.db2.gz BBMWNXUTJRAHCT-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574992376 950447151 /nfs/dbraw/zinc/44/71/51/950447151.db2.gz BBMWNXUTJRAHCT-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574992377 950447069 /nfs/dbraw/zinc/44/70/69/950447069.db2.gz BBMWNXUTJRAHCT-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574992377 950447060 /nfs/dbraw/zinc/44/70/60/950447060.db2.gz BBMWNXUTJRAHCT-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574992378 950444969 /nfs/dbraw/zinc/44/49/69/950444969.db2.gz BBMWNXUTJRAHCT-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574992378 950444948 /nfs/dbraw/zinc/44/49/48/950444948.db2.gz BBMWNXUTJRAHCT-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574992495 950448605 /nfs/dbraw/zinc/44/86/05/950448605.db2.gz DPZBYLVNQJIYFQ-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574992495 950448589 /nfs/dbraw/zinc/44/85/89/950448589.db2.gz DPZBYLVNQJIYFQ-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574992496 950449008 /nfs/dbraw/zinc/44/90/08/950449008.db2.gz DPZBYLVNQJIYFQ-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574992496 950448989 /nfs/dbraw/zinc/44/89/89/950448989.db2.gz DPZBYLVNQJIYFQ-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574993975 950472848 /nfs/dbraw/zinc/47/28/48/950472848.db2.gz ODYXBPBQULXCPI-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574993975 950472837 /nfs/dbraw/zinc/47/28/37/950472837.db2.gz ODYXBPBQULXCPI-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574993976 950470435 /nfs/dbraw/zinc/47/04/35/950470435.db2.gz ODYXBPBQULXCPI-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574993976 950470429 /nfs/dbraw/zinc/47/04/29/950470429.db2.gz ODYXBPBQULXCPI-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001574995357 950506354 /nfs/dbraw/zinc/50/63/54/950506354.db2.gz YYNAJXWQUVGBBC-JTQLQIEISA-N 0 3 387.452 -0.113 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001574995357 950506344 /nfs/dbraw/zinc/50/63/44/950506344.db2.gz YYNAJXWQUVGBBC-JTQLQIEISA-N 0 3 387.452 -0.113 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001574995359 950508110 /nfs/dbraw/zinc/50/81/10/950508110.db2.gz YYNAJXWQUVGBBC-SNVBAGLBSA-N 0 3 387.452 -0.113 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001574995359 950508094 /nfs/dbraw/zinc/50/80/94/950508094.db2.gz YYNAJXWQUVGBBC-SNVBAGLBSA-N 0 3 387.452 -0.113 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001575017013 950970964 /nfs/dbraw/zinc/97/09/64/950970964.db2.gz GAOQTLCNYVDJPQ-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001575017014 950974514 /nfs/dbraw/zinc/97/45/14/950974514.db2.gz GAOQTLCNYVDJPQ-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001575017794 951011831 /nfs/dbraw/zinc/01/18/31/951011831.db2.gz NSDAQYDBRZEZSK-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001575017794 951011829 /nfs/dbraw/zinc/01/18/29/951011829.db2.gz NSDAQYDBRZEZSK-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001575017796 951012351 /nfs/dbraw/zinc/01/23/51/951012351.db2.gz NSDAQYDBRZEZSK-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001575017796 951012343 /nfs/dbraw/zinc/01/23/43/951012343.db2.gz NSDAQYDBRZEZSK-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001575017799 951013440 /nfs/dbraw/zinc/01/34/40/951013440.db2.gz NSDAQYDBRZEZSK-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001575017799 951013429 /nfs/dbraw/zinc/01/34/29/951013429.db2.gz NSDAQYDBRZEZSK-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001575017801 951012788 /nfs/dbraw/zinc/01/27/88/951012788.db2.gz NSDAQYDBRZEZSK-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001575017801 951012772 /nfs/dbraw/zinc/01/27/72/951012772.db2.gz NSDAQYDBRZEZSK-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001575017892 951013252 /nfs/dbraw/zinc/01/32/52/951013252.db2.gz OKQDMJXBTWNZDA-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001575017892 951013238 /nfs/dbraw/zinc/01/32/38/951013238.db2.gz OKQDMJXBTWNZDA-GHMZBOCLSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001575017893 951012703 /nfs/dbraw/zinc/01/27/03/951012703.db2.gz OKQDMJXBTWNZDA-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001575017893 951012691 /nfs/dbraw/zinc/01/26/91/951012691.db2.gz OKQDMJXBTWNZDA-MNOVXSKESA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001575017895 951011579 /nfs/dbraw/zinc/01/15/79/951011579.db2.gz OKQDMJXBTWNZDA-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001575017895 951011565 /nfs/dbraw/zinc/01/15/65/951011565.db2.gz OKQDMJXBTWNZDA-QWRGUYRKSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001575017897 951013088 /nfs/dbraw/zinc/01/30/88/951013088.db2.gz OKQDMJXBTWNZDA-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001575017897 951013073 /nfs/dbraw/zinc/01/30/73/951013073.db2.gz OKQDMJXBTWNZDA-WDEREUQCSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001575018208 951019905 /nfs/dbraw/zinc/01/99/05/951019905.db2.gz ONJFJVBKPICZRU-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001575018208 951019891 /nfs/dbraw/zinc/01/98/91/951019891.db2.gz ONJFJVBKPICZRU-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001575018211 951018639 /nfs/dbraw/zinc/01/86/39/951018639.db2.gz ONJFJVBKPICZRU-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001575018211 951018625 /nfs/dbraw/zinc/01/86/25/951018625.db2.gz ONJFJVBKPICZRU-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001575019719 951044980 /nfs/dbraw/zinc/04/49/80/951044980.db2.gz VGONQKVHCGRWCI-BDAKNGLRSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001575019719 951044976 /nfs/dbraw/zinc/04/49/76/951044976.db2.gz VGONQKVHCGRWCI-BDAKNGLRSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001575019722 951044100 /nfs/dbraw/zinc/04/41/00/951044100.db2.gz VGONQKVHCGRWCI-DTWKUNHWSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001575019722 951044087 /nfs/dbraw/zinc/04/40/87/951044087.db2.gz VGONQKVHCGRWCI-DTWKUNHWSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001575019725 951043517 /nfs/dbraw/zinc/04/35/17/951043517.db2.gz VGONQKVHCGRWCI-IUCAKERBSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001575019725 951043504 /nfs/dbraw/zinc/04/35/04/951043504.db2.gz VGONQKVHCGRWCI-IUCAKERBSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001575019728 951043475 /nfs/dbraw/zinc/04/34/75/951043475.db2.gz VGONQKVHCGRWCI-RKDXNWHRSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001575019728 951043468 /nfs/dbraw/zinc/04/34/68/951043468.db2.gz VGONQKVHCGRWCI-RKDXNWHRSA-N 0 3 391.354 -0.158 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001575020322 951056446 /nfs/dbraw/zinc/05/64/46/951056446.db2.gz YUCCQQYNXCJRMU-JTQLQIEISA-N 0 3 387.452 -0.113 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001575020323 951058210 /nfs/dbraw/zinc/05/82/10/951058210.db2.gz YUCCQQYNXCJRMU-SNVBAGLBSA-N 0 3 387.452 -0.113 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575042307 951358451 /nfs/dbraw/zinc/35/84/51/951358451.db2.gz ICIXTFPQEIPSHZ-JTQLQIEISA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575042308 951358180 /nfs/dbraw/zinc/35/81/80/951358180.db2.gz ICIXTFPQEIPSHZ-SNVBAGLBSA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575043506 951397081 /nfs/dbraw/zinc/39/70/81/951397081.db2.gz SHOGCAQIRBJAMY-JTQLQIEISA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575043506 951397073 /nfs/dbraw/zinc/39/70/73/951397073.db2.gz SHOGCAQIRBJAMY-JTQLQIEISA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575043507 951397320 /nfs/dbraw/zinc/39/73/20/951397320.db2.gz SHOGCAQIRBJAMY-SNVBAGLBSA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575043507 951397305 /nfs/dbraw/zinc/39/73/05/951397305.db2.gz SHOGCAQIRBJAMY-SNVBAGLBSA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575043548 951397702 /nfs/dbraw/zinc/39/77/02/951397702.db2.gz UDQKIJXRXYTIPH-JTQLQIEISA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575043548 951397690 /nfs/dbraw/zinc/39/76/90/951397690.db2.gz UDQKIJXRXYTIPH-JTQLQIEISA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575043549 951396620 /nfs/dbraw/zinc/39/66/20/951396620.db2.gz UDQKIJXRXYTIPH-SNVBAGLBSA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575043549 951396616 /nfs/dbraw/zinc/39/66/16/951396616.db2.gz UDQKIJXRXYTIPH-SNVBAGLBSA-N 0 3 388.407 -0.049 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575044326 951413142 /nfs/dbraw/zinc/41/31/42/951413142.db2.gz YURDNNINUMQGEY-JTQLQIEISA-N 0 3 384.400 -0.426 20 0 GBADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575044326 951413129 /nfs/dbraw/zinc/41/31/29/951413129.db2.gz YURDNNINUMQGEY-JTQLQIEISA-N 0 3 384.400 -0.426 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575044329 951414316 /nfs/dbraw/zinc/41/43/16/951414316.db2.gz YURDNNINUMQGEY-SNVBAGLBSA-N 0 3 384.400 -0.426 20 0 GBADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575044329 951414308 /nfs/dbraw/zinc/41/43/08/951414308.db2.gz YURDNNINUMQGEY-SNVBAGLBSA-N 0 3 384.400 -0.426 20 0 GBADHN C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575066097 951592238 /nfs/dbraw/zinc/59/22/38/951592238.db2.gz FFPIIWKHCBUTDV-JTQLQIEISA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575066098 951592364 /nfs/dbraw/zinc/59/23/64/951592364.db2.gz FFPIIWKHCBUTDV-SNVBAGLBSA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575068280 951633849 /nfs/dbraw/zinc/63/38/49/951633849.db2.gz ZJMKIOVAXXZXEE-JTQLQIEISA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575068280 951633841 /nfs/dbraw/zinc/63/38/41/951633841.db2.gz ZJMKIOVAXXZXEE-JTQLQIEISA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575068281 951634088 /nfs/dbraw/zinc/63/40/88/951634088.db2.gz ZJMKIOVAXXZXEE-SNVBAGLBSA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575068281 951634084 /nfs/dbraw/zinc/63/40/84/951634084.db2.gz ZJMKIOVAXXZXEE-SNVBAGLBSA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575068284 951634481 /nfs/dbraw/zinc/63/44/81/951634481.db2.gz ZKSQFUDZEPRIFF-JTQLQIEISA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575068284 951634473 /nfs/dbraw/zinc/63/44/73/951634473.db2.gz ZKSQFUDZEPRIFF-JTQLQIEISA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575068285 951633692 /nfs/dbraw/zinc/63/36/92/951633692.db2.gz ZKSQFUDZEPRIFF-SNVBAGLBSA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575068285 951633682 /nfs/dbraw/zinc/63/36/82/951633682.db2.gz ZKSQFUDZEPRIFF-SNVBAGLBSA-N 0 3 381.400 -0.336 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575068582 951636615 /nfs/dbraw/zinc/63/66/15/951636615.db2.gz BMVNJJRVJIJXAG-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575068582 951636602 /nfs/dbraw/zinc/63/66/02/951636602.db2.gz BMVNJJRVJIJXAG-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575068583 951636360 /nfs/dbraw/zinc/63/63/60/951636360.db2.gz BMVNJJRVJIJXAG-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575068583 951636353 /nfs/dbraw/zinc/63/63/53/951636353.db2.gz BMVNJJRVJIJXAG-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575068584 951636232 /nfs/dbraw/zinc/63/62/32/951636232.db2.gz BMVNJJRVJIJXAG-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575068584 951636225 /nfs/dbraw/zinc/63/62/25/951636225.db2.gz BMVNJJRVJIJXAG-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575068585 951636494 /nfs/dbraw/zinc/63/64/94/951636494.db2.gz BMVNJJRVJIJXAG-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575068585 951636487 /nfs/dbraw/zinc/63/64/87/951636487.db2.gz BMVNJJRVJIJXAG-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001575068829 951638675 /nfs/dbraw/zinc/63/86/75/951638675.db2.gz CXCIJKNZFIGNLC-LLVKDONJSA-N 0 3 390.448 -0.555 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001575068831 951638605 /nfs/dbraw/zinc/63/86/05/951638605.db2.gz CXCIJKNZFIGNLC-NSHDSACASA-N 0 3 390.448 -0.555 20 0 GBADHN C[C@@H](C[NH2+]C1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)CS(C)(=O)=O ZINC001575069535 951643947 /nfs/dbraw/zinc/64/39/47/951643947.db2.gz JRJBWMSARZUVNK-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](C[NH2+]C1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)CS(C)(=O)=O ZINC001575069535 951643943 /nfs/dbraw/zinc/64/39/43/951643943.db2.gz JRJBWMSARZUVNK-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](C[NH2+]C1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)CS(C)(=O)=O ZINC001575069536 951643154 /nfs/dbraw/zinc/64/31/54/951643154.db2.gz JRJBWMSARZUVNK-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](C[NH2+]C1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)CS(C)(=O)=O ZINC001575069536 951643145 /nfs/dbraw/zinc/64/31/45/951643145.db2.gz JRJBWMSARZUVNK-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)CS(C)(=O)=O ZINC001575069549 951643990 /nfs/dbraw/zinc/64/39/90/951643990.db2.gz KBUQOYFAXLGHCN-JTQLQIEISA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@H](C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)CS(C)(=O)=O ZINC001575069550 951643770 /nfs/dbraw/zinc/64/37/70/951643770.db2.gz KBUQOYFAXLGHCN-SNVBAGLBSA-N 0 3 381.462 -0.273 20 0 GBADHN C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575069863 951646719 /nfs/dbraw/zinc/64/67/19/951646719.db2.gz MMDKRUDDYXPXOO-CMPLNLGQSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575069864 951647286 /nfs/dbraw/zinc/64/72/86/951647286.db2.gz MMDKRUDDYXPXOO-JQWIXIFHSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575069865 951647136 /nfs/dbraw/zinc/64/71/36/951647136.db2.gz MMDKRUDDYXPXOO-PWSUYJOCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575069866 951646982 /nfs/dbraw/zinc/64/69/82/951646982.db2.gz MMDKRUDDYXPXOO-ZYHUDNBSSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575069929 951648627 /nfs/dbraw/zinc/64/86/27/951648627.db2.gz NXGRMVWWKSKASA-GHMZBOCLSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575069929 951648623 /nfs/dbraw/zinc/64/86/23/951648623.db2.gz NXGRMVWWKSKASA-GHMZBOCLSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575070130 951649291 /nfs/dbraw/zinc/64/92/91/951649291.db2.gz NXGRMVWWKSKASA-MNOVXSKESA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575070130 951649287 /nfs/dbraw/zinc/64/92/87/951649287.db2.gz NXGRMVWWKSKASA-MNOVXSKESA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575070131 951649266 /nfs/dbraw/zinc/64/92/66/951649266.db2.gz NXGRMVWWKSKASA-QWRGUYRKSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575070131 951649260 /nfs/dbraw/zinc/64/92/60/951649260.db2.gz NXGRMVWWKSKASA-QWRGUYRKSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575070132 951648920 /nfs/dbraw/zinc/64/89/20/951648920.db2.gz NXGRMVWWKSKASA-WDEREUQCSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575070132 951648916 /nfs/dbraw/zinc/64/89/16/951648916.db2.gz NXGRMVWWKSKASA-WDEREUQCSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575070181 951648571 /nfs/dbraw/zinc/64/85/71/951648571.db2.gz OXGVBQHEURHJLZ-GHMZBOCLSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575070181 951648566 /nfs/dbraw/zinc/64/85/66/951648566.db2.gz OXGVBQHEURHJLZ-GHMZBOCLSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575070182 951648416 /nfs/dbraw/zinc/64/84/16/951648416.db2.gz OXGVBQHEURHJLZ-MNOVXSKESA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575070182 951648408 /nfs/dbraw/zinc/64/84/08/951648408.db2.gz OXGVBQHEURHJLZ-MNOVXSKESA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575070183 951648987 /nfs/dbraw/zinc/64/89/87/951648987.db2.gz OXGVBQHEURHJLZ-QWRGUYRKSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575070183 951648982 /nfs/dbraw/zinc/64/89/82/951648982.db2.gz OXGVBQHEURHJLZ-QWRGUYRKSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575070184 951648645 /nfs/dbraw/zinc/64/86/45/951648645.db2.gz OXGVBQHEURHJLZ-WDEREUQCSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575070184 951648638 /nfs/dbraw/zinc/64/86/38/951648638.db2.gz OXGVBQHEURHJLZ-WDEREUQCSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070191 951649054 /nfs/dbraw/zinc/64/90/54/951649054.db2.gz PAAFECKLLYYNSD-SECBINFHSA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070192 951649330 /nfs/dbraw/zinc/64/93/30/951649330.db2.gz PAAFECKLLYYNSD-VIFPVBQESA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070215 951650903 /nfs/dbraw/zinc/65/09/03/951650903.db2.gz PHNDVTAMGPTIGH-LLVKDONJSA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070215 951650893 /nfs/dbraw/zinc/65/08/93/951650893.db2.gz PHNDVTAMGPTIGH-LLVKDONJSA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070216 951650640 /nfs/dbraw/zinc/65/06/40/951650640.db2.gz PHNDVTAMGPTIGH-NSHDSACASA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070216 951650634 /nfs/dbraw/zinc/65/06/34/951650634.db2.gz PHNDVTAMGPTIGH-NSHDSACASA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070510 951651920 /nfs/dbraw/zinc/65/19/20/951651920.db2.gz QUYPEXUVGMYHEZ-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)CS(C)(=O)=O ZINC001575070510 951651914 /nfs/dbraw/zinc/65/19/14/951651914.db2.gz QUYPEXUVGMYHEZ-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070512 951652313 /nfs/dbraw/zinc/65/23/13/951652313.db2.gz QUYPEXUVGMYHEZ-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)CS(C)(=O)=O ZINC001575070512 951652310 /nfs/dbraw/zinc/65/23/10/951652310.db2.gz QUYPEXUVGMYHEZ-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070514 951652590 /nfs/dbraw/zinc/65/25/90/951652590.db2.gz QUYPEXUVGMYHEZ-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)CS(C)(=O)=O ZINC001575070514 951652582 /nfs/dbraw/zinc/65/25/82/951652582.db2.gz QUYPEXUVGMYHEZ-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070516 951651729 /nfs/dbraw/zinc/65/17/29/951651729.db2.gz QUYPEXUVGMYHEZ-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)CS(C)(=O)=O ZINC001575070516 951651726 /nfs/dbraw/zinc/65/17/26/951651726.db2.gz QUYPEXUVGMYHEZ-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070609 951652225 /nfs/dbraw/zinc/65/22/25/951652225.db2.gz SKVKZNZCVJSAIG-LLVKDONJSA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070610 951652283 /nfs/dbraw/zinc/65/22/83/951652283.db2.gz SKVKZNZCVJSAIG-NSHDSACASA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070678 951653634 /nfs/dbraw/zinc/65/36/34/951653634.db2.gz TWJGZXRJONTTHT-MRVPVSSYSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070680 951653603 /nfs/dbraw/zinc/65/36/03/951653603.db2.gz TWJGZXRJONTTHT-QMMMGPOBSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070703 951654169 /nfs/dbraw/zinc/65/41/69/951654169.db2.gz UGTDRYVFQGOSOK-SECBINFHSA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070705 951653819 /nfs/dbraw/zinc/65/38/19/951653819.db2.gz UGTDRYVFQGOSOK-VIFPVBQESA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070922 951655175 /nfs/dbraw/zinc/65/51/75/951655175.db2.gz VVHTWUZUOFODBT-MRVPVSSYSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070922 951655171 /nfs/dbraw/zinc/65/51/71/951655171.db2.gz VVHTWUZUOFODBT-MRVPVSSYSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070923 951655516 /nfs/dbraw/zinc/65/55/16/951655516.db2.gz VVHTWUZUOFODBT-QMMMGPOBSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070923 951655511 /nfs/dbraw/zinc/65/55/11/951655511.db2.gz VVHTWUZUOFODBT-QMMMGPOBSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070976 951655875 /nfs/dbraw/zinc/65/58/75/951655875.db2.gz WOJPVHXIOSNHHV-SECBINFHSA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070976 951655871 /nfs/dbraw/zinc/65/58/71/951655871.db2.gz WOJPVHXIOSNHHV-SECBINFHSA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070978 951655989 /nfs/dbraw/zinc/65/59/89/951655989.db2.gz WOJPVHXIOSNHHV-VIFPVBQESA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070978 951655985 /nfs/dbraw/zinc/65/59/85/951655985.db2.gz WOJPVHXIOSNHHV-VIFPVBQESA-N 0 3 389.420 -0.862 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575071016 951655696 /nfs/dbraw/zinc/65/56/96/951655696.db2.gz XBFOSHDEHKLHKE-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+][C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575071016 951655690 /nfs/dbraw/zinc/65/56/90/951655690.db2.gz XBFOSHDEHKLHKE-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575071018 951655373 /nfs/dbraw/zinc/65/53/73/951655373.db2.gz XBFOSHDEHKLHKE-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575071018 951655364 /nfs/dbraw/zinc/65/53/64/951655364.db2.gz XBFOSHDEHKLHKE-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575071020 951655213 /nfs/dbraw/zinc/65/52/13/951655213.db2.gz XBFOSHDEHKLHKE-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575071020 951655207 /nfs/dbraw/zinc/65/52/07/951655207.db2.gz XBFOSHDEHKLHKE-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575071022 951655888 /nfs/dbraw/zinc/65/58/88/951655888.db2.gz XBFOSHDEHKLHKE-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575071022 951655884 /nfs/dbraw/zinc/65/58/84/951655884.db2.gz XBFOSHDEHKLHKE-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575071211 951657094 /nfs/dbraw/zinc/65/70/94/951657094.db2.gz YKCUBQCMGJSFMX-MRVPVSSYSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575071212 951656804 /nfs/dbraw/zinc/65/68/04/951656804.db2.gz YKCUBQCMGJSFMX-QMMMGPOBSA-N 0 3 388.354 -0.171 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575071223 951656601 /nfs/dbraw/zinc/65/66/01/951656601.db2.gz YNWZSCMJEPLGAS-LLVKDONJSA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575071224 951657374 /nfs/dbraw/zinc/65/73/74/951657374.db2.gz YNWZSCMJEPLGAS-NSHDSACASA-N 0 3 376.421 -0.991 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575076994 951658768 /nfs/dbraw/zinc/65/87/68/951658768.db2.gz AERYBAGCRKKBFZ-MRVPVSSYSA-N 0 3 390.433 -0.360 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575076995 951658197 /nfs/dbraw/zinc/65/81/97/951658197.db2.gz AERYBAGCRKKBFZ-QMMMGPOBSA-N 0 3 390.433 -0.360 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575077008 951658970 /nfs/dbraw/zinc/65/89/70/951658970.db2.gz AMZBBGIDOQDWJR-NEPJUHHUSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575077009 951659226 /nfs/dbraw/zinc/65/92/26/951659226.db2.gz AMZBBGIDOQDWJR-NWDGAFQWSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575077010 951658367 /nfs/dbraw/zinc/65/83/67/951658367.db2.gz AMZBBGIDOQDWJR-RYUDHWBXSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575077011 951659289 /nfs/dbraw/zinc/65/92/89/951659289.db2.gz AMZBBGIDOQDWJR-VXGBXAGGSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077088 951660043 /nfs/dbraw/zinc/66/00/43/951660043.db2.gz BYOCFECHLGOWRZ-GHMZBOCLSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077088 951660037 /nfs/dbraw/zinc/66/00/37/951660037.db2.gz BYOCFECHLGOWRZ-GHMZBOCLSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077089 951660953 /nfs/dbraw/zinc/66/09/53/951660953.db2.gz BYOCFECHLGOWRZ-MNOVXSKESA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077089 951660948 /nfs/dbraw/zinc/66/09/48/951660948.db2.gz BYOCFECHLGOWRZ-MNOVXSKESA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077090 951661186 /nfs/dbraw/zinc/66/11/86/951661186.db2.gz BYOCFECHLGOWRZ-QWRGUYRKSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077090 951661183 /nfs/dbraw/zinc/66/11/83/951661183.db2.gz BYOCFECHLGOWRZ-QWRGUYRKSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077091 951660507 /nfs/dbraw/zinc/66/05/07/951660507.db2.gz BYOCFECHLGOWRZ-WDEREUQCSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077091 951660495 /nfs/dbraw/zinc/66/04/95/951660495.db2.gz BYOCFECHLGOWRZ-WDEREUQCSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077122 951661898 /nfs/dbraw/zinc/66/18/98/951661898.db2.gz CPPJJOOCRGUNTC-AAEUAGOBSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077122 951661892 /nfs/dbraw/zinc/66/18/92/951661892.db2.gz CPPJJOOCRGUNTC-AAEUAGOBSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077123 951662365 /nfs/dbraw/zinc/66/23/65/951662365.db2.gz CPPJJOOCRGUNTC-YPMHNXCESA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077123 951662357 /nfs/dbraw/zinc/66/23/57/951662357.db2.gz CPPJJOOCRGUNTC-YPMHNXCESA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575077144 951661708 /nfs/dbraw/zinc/66/17/08/951661708.db2.gz DBLFQBUXMIRDNX-AAEUAGOBSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575077144 951661702 /nfs/dbraw/zinc/66/17/02/951661702.db2.gz DBLFQBUXMIRDNX-AAEUAGOBSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575077145 951662797 /nfs/dbraw/zinc/66/27/97/951662797.db2.gz DBLFQBUXMIRDNX-YPMHNXCESA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575077145 951662794 /nfs/dbraw/zinc/66/27/94/951662794.db2.gz DBLFQBUXMIRDNX-YPMHNXCESA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077292 951665512 /nfs/dbraw/zinc/66/55/12/951665512.db2.gz FJPJZLOTLGNMEQ-GHMZBOCLSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077292 951665508 /nfs/dbraw/zinc/66/55/08/951665508.db2.gz FJPJZLOTLGNMEQ-GHMZBOCLSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077293 951666163 /nfs/dbraw/zinc/66/61/63/951666163.db2.gz FJPJZLOTLGNMEQ-MNOVXSKESA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077293 951666155 /nfs/dbraw/zinc/66/61/55/951666155.db2.gz FJPJZLOTLGNMEQ-MNOVXSKESA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077294 951665497 /nfs/dbraw/zinc/66/54/97/951665497.db2.gz FJPJZLOTLGNMEQ-QWRGUYRKSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077294 951665493 /nfs/dbraw/zinc/66/54/93/951665493.db2.gz FJPJZLOTLGNMEQ-QWRGUYRKSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077295 951666820 /nfs/dbraw/zinc/66/68/20/951666820.db2.gz FJPJZLOTLGNMEQ-WDEREUQCSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077295 951666816 /nfs/dbraw/zinc/66/68/16/951666816.db2.gz FJPJZLOTLGNMEQ-WDEREUQCSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575077386 951668371 /nfs/dbraw/zinc/66/83/71/951668371.db2.gz CHDLDTABBINIFN-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575077387 951667370 /nfs/dbraw/zinc/66/73/70/951667370.db2.gz CHDLDTABBINIFN-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575077388 951667950 /nfs/dbraw/zinc/66/79/50/951667950.db2.gz CHDLDTABBINIFN-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575077389 951668087 /nfs/dbraw/zinc/66/80/87/951668087.db2.gz CHDLDTABBINIFN-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077400 951667323 /nfs/dbraw/zinc/66/73/23/951667323.db2.gz CJSZLTRFDLIECK-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077400 951667314 /nfs/dbraw/zinc/66/73/14/951667314.db2.gz CJSZLTRFDLIECK-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077401 951667875 /nfs/dbraw/zinc/66/78/75/951667875.db2.gz CJSZLTRFDLIECK-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077401 951667868 /nfs/dbraw/zinc/66/78/68/951667868.db2.gz CJSZLTRFDLIECK-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077402 951668201 /nfs/dbraw/zinc/66/82/01/951668201.db2.gz CJSZLTRFDLIECK-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077402 951668198 /nfs/dbraw/zinc/66/81/98/951668198.db2.gz CJSZLTRFDLIECK-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077403 951667177 /nfs/dbraw/zinc/66/71/77/951667177.db2.gz CJSZLTRFDLIECK-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077403 951667169 /nfs/dbraw/zinc/66/71/69/951667169.db2.gz CJSZLTRFDLIECK-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077518 951670577 /nfs/dbraw/zinc/67/05/77/951670577.db2.gz FZLCEBZFGRSFNV-LLVKDONJSA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077518 951670572 /nfs/dbraw/zinc/67/05/72/951670572.db2.gz FZLCEBZFGRSFNV-LLVKDONJSA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077519 951671213 /nfs/dbraw/zinc/67/12/13/951671213.db2.gz FZLCEBZFGRSFNV-NSHDSACASA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077519 951671207 /nfs/dbraw/zinc/67/12/07/951671207.db2.gz FZLCEBZFGRSFNV-NSHDSACASA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575077650 951672540 /nfs/dbraw/zinc/67/25/40/951672540.db2.gz HSMTXAJGPILJPO-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575077650 951672525 /nfs/dbraw/zinc/67/25/25/951672525.db2.gz HSMTXAJGPILJPO-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575077651 951672838 /nfs/dbraw/zinc/67/28/38/951672838.db2.gz HSMTXAJGPILJPO-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575077651 951672835 /nfs/dbraw/zinc/67/28/35/951672835.db2.gz HSMTXAJGPILJPO-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575077652 951672741 /nfs/dbraw/zinc/67/27/41/951672741.db2.gz HSMTXAJGPILJPO-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575077652 951672737 /nfs/dbraw/zinc/67/27/37/951672737.db2.gz HSMTXAJGPILJPO-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575077653 951673066 /nfs/dbraw/zinc/67/30/66/951673066.db2.gz HSMTXAJGPILJPO-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575077653 951673061 /nfs/dbraw/zinc/67/30/61/951673061.db2.gz HSMTXAJGPILJPO-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077840 951674822 /nfs/dbraw/zinc/67/48/22/951674822.db2.gz IOMONDSRKGLPGH-JTQLQIEISA-N 0 3 384.437 -0.108 20 0 GBADHN C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077841 951674711 /nfs/dbraw/zinc/67/47/11/951674711.db2.gz IOMONDSRKGLPGH-SNVBAGLBSA-N 0 3 384.437 -0.108 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078264 951680016 /nfs/dbraw/zinc/68/00/16/951680016.db2.gz KVDQJGFIURLHCK-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078264 951680012 /nfs/dbraw/zinc/68/00/12/951680012.db2.gz KVDQJGFIURLHCK-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078265 951679861 /nfs/dbraw/zinc/67/98/61/951679861.db2.gz KVDQJGFIURLHCK-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078265 951679848 /nfs/dbraw/zinc/67/98/48/951679848.db2.gz KVDQJGFIURLHCK-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078473 951681322 /nfs/dbraw/zinc/68/13/22/951681322.db2.gz LYCDKFSATLVRQI-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078473 951681314 /nfs/dbraw/zinc/68/13/14/951681314.db2.gz LYCDKFSATLVRQI-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078475 951681089 /nfs/dbraw/zinc/68/10/89/951681089.db2.gz LYCDKFSATLVRQI-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078475 951681082 /nfs/dbraw/zinc/68/10/82/951681082.db2.gz LYCDKFSATLVRQI-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078497 951681715 /nfs/dbraw/zinc/68/17/15/951681715.db2.gz KLUQKAWYYCADTR-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078497 951681707 /nfs/dbraw/zinc/68/17/07/951681707.db2.gz KLUQKAWYYCADTR-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078502 951681051 /nfs/dbraw/zinc/68/10/51/951681051.db2.gz KLUQKAWYYCADTR-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078502 951681046 /nfs/dbraw/zinc/68/10/46/951681046.db2.gz KLUQKAWYYCADTR-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078507 951683136 /nfs/dbraw/zinc/68/31/36/951683136.db2.gz KLUQKAWYYCADTR-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078507 951683130 /nfs/dbraw/zinc/68/31/30/951683130.db2.gz KLUQKAWYYCADTR-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078512 951682929 /nfs/dbraw/zinc/68/29/29/951682929.db2.gz KLUQKAWYYCADTR-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078512 951682925 /nfs/dbraw/zinc/68/29/25/951682925.db2.gz KLUQKAWYYCADTR-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079074 951687309 /nfs/dbraw/zinc/68/73/09/951687309.db2.gz PKBMGTLZRFWNEJ-FZQKWOKYSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079074 951687305 /nfs/dbraw/zinc/68/73/05/951687305.db2.gz PKBMGTLZRFWNEJ-FZQKWOKYSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079075 951687371 /nfs/dbraw/zinc/68/73/71/951687371.db2.gz PKBMGTLZRFWNEJ-FZZIBODNSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079075 951687365 /nfs/dbraw/zinc/68/73/65/951687365.db2.gz PKBMGTLZRFWNEJ-FZZIBODNSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079222 951689200 /nfs/dbraw/zinc/68/92/00/951689200.db2.gz MFFFMCMNDOPHEI-MRVPVSSYSA-N 0 3 390.433 -0.360 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079224 951688539 /nfs/dbraw/zinc/68/85/39/951688539.db2.gz MFFFMCMNDOPHEI-QMMMGPOBSA-N 0 3 390.433 -0.360 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079258 951688570 /nfs/dbraw/zinc/68/85/70/951688570.db2.gz MSKDPNSBOYWUJM-MRVPVSSYSA-N 0 3 390.433 -0.360 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079259 951689210 /nfs/dbraw/zinc/68/92/10/951689210.db2.gz MSKDPNSBOYWUJM-QMMMGPOBSA-N 0 3 390.433 -0.360 20 0 GBADHN C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079270 951691173 /nfs/dbraw/zinc/69/11/73/951691173.db2.gz MWQWDMKLXHUZCK-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079270 951691166 /nfs/dbraw/zinc/69/11/66/951691166.db2.gz MWQWDMKLXHUZCK-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079271 951690688 /nfs/dbraw/zinc/69/06/88/951690688.db2.gz MWQWDMKLXHUZCK-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079271 951690685 /nfs/dbraw/zinc/69/06/85/951690685.db2.gz MWQWDMKLXHUZCK-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079272 951690225 /nfs/dbraw/zinc/69/02/25/951690225.db2.gz MWQWDMKLXHUZCK-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079272 951690217 /nfs/dbraw/zinc/69/02/17/951690217.db2.gz MWQWDMKLXHUZCK-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079273 951690614 /nfs/dbraw/zinc/69/06/14/951690614.db2.gz MWQWDMKLXHUZCK-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079273 951690611 /nfs/dbraw/zinc/69/06/11/951690611.db2.gz MWQWDMKLXHUZCK-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079425 951693005 /nfs/dbraw/zinc/69/30/05/951693005.db2.gz DXWRWYXWHASATG-BIMULSAOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079425 951692997 /nfs/dbraw/zinc/69/29/97/951692997.db2.gz DXWRWYXWHASATG-BIMULSAOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079427 951691899 /nfs/dbraw/zinc/69/18/99/951691899.db2.gz DXWRWYXWHASATG-WQAKAFBOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079427 951691891 /nfs/dbraw/zinc/69/18/91/951691891.db2.gz DXWRWYXWHASATG-WQAKAFBOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575079544 951693633 /nfs/dbraw/zinc/69/36/33/951693633.db2.gz QVTOCFQBUMZUEO-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575079545 951694146 /nfs/dbraw/zinc/69/41/46/951694146.db2.gz QVTOCFQBUMZUEO-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575079546 951695044 /nfs/dbraw/zinc/69/50/44/951695044.db2.gz QVTOCFQBUMZUEO-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575079547 951694635 /nfs/dbraw/zinc/69/46/35/951694635.db2.gz QVTOCFQBUMZUEO-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079695 951696205 /nfs/dbraw/zinc/69/62/05/951696205.db2.gz FTYDVYLWDQKAMM-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079695 951696199 /nfs/dbraw/zinc/69/61/99/951696199.db2.gz FTYDVYLWDQKAMM-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079697 951696369 /nfs/dbraw/zinc/69/63/69/951696369.db2.gz FTYDVYLWDQKAMM-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079697 951696366 /nfs/dbraw/zinc/69/63/66/951696366.db2.gz FTYDVYLWDQKAMM-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079744 951696456 /nfs/dbraw/zinc/69/64/56/951696456.db2.gz OGWGQAYIGUAPGG-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079744 951696452 /nfs/dbraw/zinc/69/64/52/951696452.db2.gz OGWGQAYIGUAPGG-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079746 951695957 /nfs/dbraw/zinc/69/59/57/951695957.db2.gz OGWGQAYIGUAPGG-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079746 951695954 /nfs/dbraw/zinc/69/59/54/951695954.db2.gz OGWGQAYIGUAPGG-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079748 951695881 /nfs/dbraw/zinc/69/58/81/951695881.db2.gz OGWGQAYIGUAPGG-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079748 951695878 /nfs/dbraw/zinc/69/58/78/951695878.db2.gz OGWGQAYIGUAPGG-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079750 951696043 /nfs/dbraw/zinc/69/60/43/951696043.db2.gz OGWGQAYIGUAPGG-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079750 951696040 /nfs/dbraw/zinc/69/60/40/951696040.db2.gz OGWGQAYIGUAPGG-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575079806 951698098 /nfs/dbraw/zinc/69/80/98/951698098.db2.gz OWUPGOHCGNZOJG-GHMZBOCLSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575079806 951698094 /nfs/dbraw/zinc/69/80/94/951698094.db2.gz OWUPGOHCGNZOJG-GHMZBOCLSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575079807 951697406 /nfs/dbraw/zinc/69/74/06/951697406.db2.gz OWUPGOHCGNZOJG-MNOVXSKESA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575079807 951697403 /nfs/dbraw/zinc/69/74/03/951697403.db2.gz OWUPGOHCGNZOJG-MNOVXSKESA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575079809 951697424 /nfs/dbraw/zinc/69/74/24/951697424.db2.gz OWUPGOHCGNZOJG-QWRGUYRKSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575079809 951697420 /nfs/dbraw/zinc/69/74/20/951697420.db2.gz OWUPGOHCGNZOJG-QWRGUYRKSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575079810 951697917 /nfs/dbraw/zinc/69/79/17/951697917.db2.gz OWUPGOHCGNZOJG-WDEREUQCSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575079810 951697913 /nfs/dbraw/zinc/69/79/13/951697913.db2.gz OWUPGOHCGNZOJG-WDEREUQCSA-N 0 3 381.462 -0.415 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575080254 951707519 /nfs/dbraw/zinc/70/75/19/951707519.db2.gz QOMBFSMXLLGAHL-JTQLQIEISA-N 0 3 384.404 -0.421 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575080255 951707986 /nfs/dbraw/zinc/70/79/86/951707986.db2.gz QOMBFSMXLLGAHL-SNVBAGLBSA-N 0 3 384.404 -0.421 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080462 951710133 /nfs/dbraw/zinc/71/01/33/951710133.db2.gz MKAGEDHXPUOCNK-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080462 951710124 /nfs/dbraw/zinc/71/01/24/951710124.db2.gz MKAGEDHXPUOCNK-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080463 951710860 /nfs/dbraw/zinc/71/08/60/951710860.db2.gz MKAGEDHXPUOCNK-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080463 951710855 /nfs/dbraw/zinc/71/08/55/951710855.db2.gz MKAGEDHXPUOCNK-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080488 951710960 /nfs/dbraw/zinc/71/09/60/951710960.db2.gz XCDRQQLKMGFKSW-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080488 951710955 /nfs/dbraw/zinc/71/09/55/951710955.db2.gz XCDRQQLKMGFKSW-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080489 951710589 /nfs/dbraw/zinc/71/05/89/951710589.db2.gz XCDRQQLKMGFKSW-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080489 951710581 /nfs/dbraw/zinc/71/05/81/951710581.db2.gz XCDRQQLKMGFKSW-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080490 951710707 /nfs/dbraw/zinc/71/07/07/951710707.db2.gz XCDRQQLKMGFKSW-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080490 951710702 /nfs/dbraw/zinc/71/07/02/951710702.db2.gz XCDRQQLKMGFKSW-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080491 951710692 /nfs/dbraw/zinc/71/06/92/951710692.db2.gz XCDRQQLKMGFKSW-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080491 951710687 /nfs/dbraw/zinc/71/06/87/951710687.db2.gz XCDRQQLKMGFKSW-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001575080540 951711936 /nfs/dbraw/zinc/71/19/36/951711936.db2.gz XYZDJNKLMSDBMN-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575080541 951712559 /nfs/dbraw/zinc/71/25/59/951712559.db2.gz XYZDJNKLMSDBMN-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080701 951714674 /nfs/dbraw/zinc/71/46/74/951714674.db2.gz QWBDCAUZNKDWEW-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080701 951714671 /nfs/dbraw/zinc/71/46/71/951714671.db2.gz QWBDCAUZNKDWEW-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080703 951714825 /nfs/dbraw/zinc/71/48/25/951714825.db2.gz QWBDCAUZNKDWEW-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080703 951714821 /nfs/dbraw/zinc/71/48/21/951714821.db2.gz QWBDCAUZNKDWEW-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080705 951714724 /nfs/dbraw/zinc/71/47/24/951714724.db2.gz QWBDCAUZNKDWEW-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080705 951714720 /nfs/dbraw/zinc/71/47/20/951714720.db2.gz QWBDCAUZNKDWEW-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575080707 951714699 /nfs/dbraw/zinc/71/46/99/951714699.db2.gz QWBDCAUZNKDWEW-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575080707 951714695 /nfs/dbraw/zinc/71/46/95/951714695.db2.gz QWBDCAUZNKDWEW-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575080781 951716651 /nfs/dbraw/zinc/71/66/51/951716651.db2.gz RHNBAKULVAXQBL-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575080781 951716636 /nfs/dbraw/zinc/71/66/36/951716636.db2.gz RHNBAKULVAXQBL-GHMZBOCLSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575080783 951716768 /nfs/dbraw/zinc/71/67/68/951716768.db2.gz RHNBAKULVAXQBL-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575080783 951716760 /nfs/dbraw/zinc/71/67/60/951716760.db2.gz RHNBAKULVAXQBL-MNOVXSKESA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575080786 951715677 /nfs/dbraw/zinc/71/56/77/951715677.db2.gz RHNBAKULVAXQBL-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575080786 951715668 /nfs/dbraw/zinc/71/56/68/951715668.db2.gz RHNBAKULVAXQBL-QWRGUYRKSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575080788 951715981 /nfs/dbraw/zinc/71/59/81/951715981.db2.gz RHNBAKULVAXQBL-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575080788 951715971 /nfs/dbraw/zinc/71/59/71/951715971.db2.gz RHNBAKULVAXQBL-WDEREUQCSA-N 0 3 383.478 -0.074 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080910 951718467 /nfs/dbraw/zinc/71/84/67/951718467.db2.gz OKDZMYSDKLTIMN-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080910 951718460 /nfs/dbraw/zinc/71/84/60/951718460.db2.gz OKDZMYSDKLTIMN-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080914 951718173 /nfs/dbraw/zinc/71/81/73/951718173.db2.gz OKDZMYSDKLTIMN-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080914 951718167 /nfs/dbraw/zinc/71/81/67/951718167.db2.gz OKDZMYSDKLTIMN-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080918 951717503 /nfs/dbraw/zinc/71/75/03/951717503.db2.gz OKDZMYSDKLTIMN-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080918 951717497 /nfs/dbraw/zinc/71/74/97/951717497.db2.gz OKDZMYSDKLTIMN-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080921 951718581 /nfs/dbraw/zinc/71/85/81/951718581.db2.gz OKDZMYSDKLTIMN-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080921 951718580 /nfs/dbraw/zinc/71/85/80/951718580.db2.gz OKDZMYSDKLTIMN-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081350 951721457 /nfs/dbraw/zinc/72/14/57/951721457.db2.gz UAIKHOLKCVWBIH-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081350 951721449 /nfs/dbraw/zinc/72/14/49/951721449.db2.gz UAIKHOLKCVWBIH-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081351 951721178 /nfs/dbraw/zinc/72/11/78/951721178.db2.gz UAIKHOLKCVWBIH-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081351 951721168 /nfs/dbraw/zinc/72/11/68/951721168.db2.gz UAIKHOLKCVWBIH-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081352 951722125 /nfs/dbraw/zinc/72/21/25/951722125.db2.gz UAIKHOLKCVWBIH-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081352 951722116 /nfs/dbraw/zinc/72/21/16/951722116.db2.gz UAIKHOLKCVWBIH-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081353 951721971 /nfs/dbraw/zinc/72/19/71/951721971.db2.gz UAIKHOLKCVWBIH-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081353 951721966 /nfs/dbraw/zinc/72/19/66/951721966.db2.gz UAIKHOLKCVWBIH-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575081366 951721790 /nfs/dbraw/zinc/72/17/90/951721790.db2.gz UBRWOMIWUDJJFO-GHMZBOCLSA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@H](C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575081366 951721785 /nfs/dbraw/zinc/72/17/85/951721785.db2.gz UBRWOMIWUDJJFO-GHMZBOCLSA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575081367 951722703 /nfs/dbraw/zinc/72/27/03/951722703.db2.gz UBRWOMIWUDJJFO-MNOVXSKESA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575081367 951722697 /nfs/dbraw/zinc/72/26/97/951722697.db2.gz UBRWOMIWUDJJFO-MNOVXSKESA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575081368 951721829 /nfs/dbraw/zinc/72/18/29/951721829.db2.gz UBRWOMIWUDJJFO-QWRGUYRKSA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575081368 951721825 /nfs/dbraw/zinc/72/18/25/951721825.db2.gz UBRWOMIWUDJJFO-QWRGUYRKSA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001575081369 951721937 /nfs/dbraw/zinc/72/19/37/951721937.db2.gz UBRWOMIWUDJJFO-WDEREUQCSA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001575081369 951721932 /nfs/dbraw/zinc/72/19/32/951721932.db2.gz UBRWOMIWUDJJFO-WDEREUQCSA-N 0 3 383.478 -0.169 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081402 951723864 /nfs/dbraw/zinc/72/38/64/951723864.db2.gz UMRDAUBDUSWODD-NEPJUHHUSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081402 951723857 /nfs/dbraw/zinc/72/38/57/951723857.db2.gz UMRDAUBDUSWODD-NEPJUHHUSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081403 951724025 /nfs/dbraw/zinc/72/40/25/951724025.db2.gz UMRDAUBDUSWODD-NWDGAFQWSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081403 951724017 /nfs/dbraw/zinc/72/40/17/951724017.db2.gz UMRDAUBDUSWODD-NWDGAFQWSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081404 951723751 /nfs/dbraw/zinc/72/37/51/951723751.db2.gz UMRDAUBDUSWODD-RYUDHWBXSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081404 951723744 /nfs/dbraw/zinc/72/37/44/951723744.db2.gz UMRDAUBDUSWODD-RYUDHWBXSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081405 951723278 /nfs/dbraw/zinc/72/32/78/951723278.db2.gz UMRDAUBDUSWODD-VXGBXAGGSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081405 951723275 /nfs/dbraw/zinc/72/32/75/951723275.db2.gz UMRDAUBDUSWODD-VXGBXAGGSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575081421 951723250 /nfs/dbraw/zinc/72/32/50/951723250.db2.gz UTIOUXPFYBKKTJ-JTQLQIEISA-N 0 3 384.404 -0.421 20 0 GBADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575081423 951723551 /nfs/dbraw/zinc/72/35/51/951723551.db2.gz UTIOUXPFYBKKTJ-SNVBAGLBSA-N 0 3 384.404 -0.421 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001575081442 951724429 /nfs/dbraw/zinc/72/44/29/951724429.db2.gz UYXSAKOFPKYJNS-AAEUAGOBSA-N 0 3 390.448 -0.555 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001575081443 951723416 /nfs/dbraw/zinc/72/34/16/951723416.db2.gz UYXSAKOFPKYJNS-DGCLKSJQSA-N 0 3 390.448 -0.555 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001575081444 951723203 /nfs/dbraw/zinc/72/32/03/951723203.db2.gz UYXSAKOFPKYJNS-WCQYABFASA-N 0 3 390.448 -0.555 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001575081446 951723193 /nfs/dbraw/zinc/72/31/93/951723193.db2.gz UYXSAKOFPKYJNS-YPMHNXCESA-N 0 3 390.448 -0.555 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081665 951725071 /nfs/dbraw/zinc/72/50/71/951725071.db2.gz RIAYGZUVSUXDMI-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081665 951725066 /nfs/dbraw/zinc/72/50/66/951725066.db2.gz RIAYGZUVSUXDMI-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081668 951725214 /nfs/dbraw/zinc/72/52/14/951725214.db2.gz RIAYGZUVSUXDMI-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081668 951725210 /nfs/dbraw/zinc/72/52/10/951725210.db2.gz RIAYGZUVSUXDMI-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081670 951726216 /nfs/dbraw/zinc/72/62/16/951726216.db2.gz RIAYGZUVSUXDMI-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081670 951726213 /nfs/dbraw/zinc/72/62/13/951726213.db2.gz RIAYGZUVSUXDMI-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081672 951725146 /nfs/dbraw/zinc/72/51/46/951725146.db2.gz RIAYGZUVSUXDMI-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081672 951725142 /nfs/dbraw/zinc/72/51/42/951725142.db2.gz RIAYGZUVSUXDMI-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575081712 951726033 /nfs/dbraw/zinc/72/60/33/951726033.db2.gz RVLUIDJQIMJVQV-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575081712 951726028 /nfs/dbraw/zinc/72/60/28/951726028.db2.gz RVLUIDJQIMJVQV-UWVGGRQHSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575081713 951725268 /nfs/dbraw/zinc/72/52/68/951725268.db2.gz RVLUIDJQIMJVQV-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575081713 951725261 /nfs/dbraw/zinc/72/52/61/951725261.db2.gz RVLUIDJQIMJVQV-ZJUUUORDSA-N 0 3 378.412 -0.001 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081800 951727490 /nfs/dbraw/zinc/72/74/90/951727490.db2.gz VUDXSQPUEBSCSB-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081800 951727484 /nfs/dbraw/zinc/72/74/84/951727484.db2.gz VUDXSQPUEBSCSB-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081802 951727896 /nfs/dbraw/zinc/72/78/96/951727896.db2.gz VUDXSQPUEBSCSB-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081802 951727890 /nfs/dbraw/zinc/72/78/90/951727890.db2.gz VUDXSQPUEBSCSB-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081804 951727544 /nfs/dbraw/zinc/72/75/44/951727544.db2.gz VXDUOEIJGNMGNH-NEPJUHHUSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081806 951727149 /nfs/dbraw/zinc/72/71/49/951727149.db2.gz VXDUOEIJGNMGNH-NWDGAFQWSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081808 951726982 /nfs/dbraw/zinc/72/69/82/951726982.db2.gz VXDUOEIJGNMGNH-RYUDHWBXSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081809 951727363 /nfs/dbraw/zinc/72/73/63/951727363.db2.gz VXDUOEIJGNMGNH-VXGBXAGGSA-N 0 3 390.448 -0.697 20 0 GBADHN C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575081993 951729639 /nfs/dbraw/zinc/72/96/39/951729639.db2.gz WXMZTVZJQUQIBR-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575081993 951729632 /nfs/dbraw/zinc/72/96/32/951729632.db2.gz WXMZTVZJQUQIBR-GHMZBOCLSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575081996 951730016 /nfs/dbraw/zinc/73/00/16/951730016.db2.gz WXMZTVZJQUQIBR-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575081996 951730007 /nfs/dbraw/zinc/73/00/07/951730007.db2.gz WXMZTVZJQUQIBR-MNOVXSKESA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575081999 951728933 /nfs/dbraw/zinc/72/89/33/951728933.db2.gz WXMZTVZJQUQIBR-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575081999 951728925 /nfs/dbraw/zinc/72/89/25/951728925.db2.gz WXMZTVZJQUQIBR-QWRGUYRKSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575082002 951728568 /nfs/dbraw/zinc/72/85/68/951728568.db2.gz WXMZTVZJQUQIBR-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575082002 951728564 /nfs/dbraw/zinc/72/85/64/951728564.db2.gz WXMZTVZJQUQIBR-WDEREUQCSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082138 951731890 /nfs/dbraw/zinc/73/18/90/951731890.db2.gz UWLHZKFHSITYFC-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082138 951731885 /nfs/dbraw/zinc/73/18/85/951731885.db2.gz UWLHZKFHSITYFC-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082140 951731598 /nfs/dbraw/zinc/73/15/98/951731598.db2.gz UWLHZKFHSITYFC-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082140 951731593 /nfs/dbraw/zinc/73/15/93/951731593.db2.gz UWLHZKFHSITYFC-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082141 951730339 /nfs/dbraw/zinc/73/03/39/951730339.db2.gz UWLHZKFHSITYFC-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082141 951730334 /nfs/dbraw/zinc/73/03/34/951730334.db2.gz UWLHZKFHSITYFC-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082142 951730452 /nfs/dbraw/zinc/73/04/52/951730452.db2.gz UWLHZKFHSITYFC-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082142 951730448 /nfs/dbraw/zinc/73/04/48/951730448.db2.gz UWLHZKFHSITYFC-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082200 951731507 /nfs/dbraw/zinc/73/15/07/951731507.db2.gz VPOQWRYBBIZPQA-LLVKDONJSA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082200 951731502 /nfs/dbraw/zinc/73/15/02/951731502.db2.gz VPOQWRYBBIZPQA-LLVKDONJSA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082201 951730378 /nfs/dbraw/zinc/73/03/78/951730378.db2.gz VPOQWRYBBIZPQA-NSHDSACASA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082201 951730373 /nfs/dbraw/zinc/73/03/73/951730373.db2.gz VPOQWRYBBIZPQA-NSHDSACASA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082390 951733955 /nfs/dbraw/zinc/73/39/55/951733955.db2.gz YBMCUHLHMVOKNN-AAEUAGOBSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082390 951733951 /nfs/dbraw/zinc/73/39/51/951733951.db2.gz YBMCUHLHMVOKNN-AAEUAGOBSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082392 951733824 /nfs/dbraw/zinc/73/38/24/951733824.db2.gz YBMCUHLHMVOKNN-YPMHNXCESA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082392 951733818 /nfs/dbraw/zinc/73/38/18/951733818.db2.gz YBMCUHLHMVOKNN-YPMHNXCESA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082463 951733800 /nfs/dbraw/zinc/73/38/00/951733800.db2.gz ZIVWTJOCFYYAPA-BIMULSAOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082463 951733794 /nfs/dbraw/zinc/73/37/94/951733794.db2.gz ZIVWTJOCFYYAPA-BIMULSAOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082464 951734780 /nfs/dbraw/zinc/73/47/80/951734780.db2.gz ZIVWTJOCFYYAPA-WQAKAFBOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082464 951734774 /nfs/dbraw/zinc/73/47/74/951734774.db2.gz ZIVWTJOCFYYAPA-WQAKAFBOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575082703 951736365 /nfs/dbraw/zinc/73/63/65/951736365.db2.gz ZJNOMDZASCVURT-NEPJUHHUSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575082703 951736352 /nfs/dbraw/zinc/73/63/52/951736352.db2.gz ZJNOMDZASCVURT-NEPJUHHUSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575082706 951735777 /nfs/dbraw/zinc/73/57/77/951735777.db2.gz ZJNOMDZASCVURT-RYUDHWBXSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575082706 951735773 /nfs/dbraw/zinc/73/57/73/951735773.db2.gz ZJNOMDZASCVURT-RYUDHWBXSA-N 0 3 390.448 -0.772 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082740 951738101 /nfs/dbraw/zinc/73/81/01/951738101.db2.gz ZMDZQKKBJYPKOE-NEPJUHHUSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082740 951738098 /nfs/dbraw/zinc/73/80/98/951738098.db2.gz ZMDZQKKBJYPKOE-NEPJUHHUSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082743 951738091 /nfs/dbraw/zinc/73/80/91/951738091.db2.gz ZMDZQKKBJYPKOE-RYUDHWBXSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082743 951738089 /nfs/dbraw/zinc/73/80/89/951738089.db2.gz ZMDZQKKBJYPKOE-RYUDHWBXSA-N 0 3 390.448 -0.866 20 0 GBADHN C[C@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082963 951740279 /nfs/dbraw/zinc/74/02/79/951740279.db2.gz ZYHFGTMWYAOOCJ-JTQLQIEISA-N 0 3 384.437 -0.108 20 0 GBADHN C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082964 951739442 /nfs/dbraw/zinc/73/94/42/951739442.db2.gz ZYHFGTMWYAOOCJ-SNVBAGLBSA-N 0 3 384.437 -0.108 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088945 951744953 /nfs/dbraw/zinc/74/49/53/951744953.db2.gz DGMCTUWONOKIQT-GFCCVEGCSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088945 951744947 /nfs/dbraw/zinc/74/49/47/951744947.db2.gz DGMCTUWONOKIQT-GFCCVEGCSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088954 951744893 /nfs/dbraw/zinc/74/48/93/951744893.db2.gz DGMCTUWONOKIQT-LBPRGKRZSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088954 951744886 /nfs/dbraw/zinc/74/48/86/951744886.db2.gz DGMCTUWONOKIQT-LBPRGKRZSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089058 951745626 /nfs/dbraw/zinc/74/56/26/951745626.db2.gz CUWZWXKCCARGRL-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089058 951745616 /nfs/dbraw/zinc/74/56/16/951745616.db2.gz CUWZWXKCCARGRL-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089060 951746093 /nfs/dbraw/zinc/74/60/93/951746093.db2.gz CUWZWXKCCARGRL-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089060 951746089 /nfs/dbraw/zinc/74/60/89/951746089.db2.gz CUWZWXKCCARGRL-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089061 951746461 /nfs/dbraw/zinc/74/64/61/951746461.db2.gz CUWZWXKCCARGRL-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089061 951746455 /nfs/dbraw/zinc/74/64/55/951746455.db2.gz CUWZWXKCCARGRL-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089062 951746062 /nfs/dbraw/zinc/74/60/62/951746062.db2.gz CUWZWXKCCARGRL-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089062 951746059 /nfs/dbraw/zinc/74/60/59/951746059.db2.gz CUWZWXKCCARGRL-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089106 951746495 /nfs/dbraw/zinc/74/64/95/951746495.db2.gz DLEWDEPSDPGJEJ-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089106 951746485 /nfs/dbraw/zinc/74/64/85/951746485.db2.gz DLEWDEPSDPGJEJ-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089108 951745864 /nfs/dbraw/zinc/74/58/64/951745864.db2.gz DLEWDEPSDPGJEJ-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089108 951745861 /nfs/dbraw/zinc/74/58/61/951745861.db2.gz DLEWDEPSDPGJEJ-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089285 951747558 /nfs/dbraw/zinc/74/75/58/951747558.db2.gz FHMVKMLVTPWNFG-CYBMUJFWSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089285 951747552 /nfs/dbraw/zinc/74/75/52/951747552.db2.gz FHMVKMLVTPWNFG-CYBMUJFWSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089286 951747205 /nfs/dbraw/zinc/74/72/05/951747205.db2.gz FHMVKMLVTPWNFG-ZDUSSCGKSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089286 951747196 /nfs/dbraw/zinc/74/71/96/951747196.db2.gz FHMVKMLVTPWNFG-ZDUSSCGKSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089917 951757049 /nfs/dbraw/zinc/75/70/49/951757049.db2.gz IVHUZHQJOPVECQ-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089917 951757042 /nfs/dbraw/zinc/75/70/42/951757042.db2.gz IVHUZHQJOPVECQ-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089918 951757108 /nfs/dbraw/zinc/75/71/08/951757108.db2.gz IVHUZHQJOPVECQ-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089918 951757106 /nfs/dbraw/zinc/75/71/06/951757106.db2.gz IVHUZHQJOPVECQ-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089919 951756353 /nfs/dbraw/zinc/75/63/53/951756353.db2.gz IVHUZHQJOPVECQ-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089919 951756351 /nfs/dbraw/zinc/75/63/51/951756351.db2.gz IVHUZHQJOPVECQ-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089920 951757275 /nfs/dbraw/zinc/75/72/75/951757275.db2.gz IVHUZHQJOPVECQ-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089920 951757269 /nfs/dbraw/zinc/75/72/69/951757269.db2.gz IVHUZHQJOPVECQ-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575090086 951757294 /nfs/dbraw/zinc/75/72/94/951757294.db2.gz JBBZXNKIVOMIES-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575090086 951757288 /nfs/dbraw/zinc/75/72/88/951757288.db2.gz JBBZXNKIVOMIES-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575090090 951757255 /nfs/dbraw/zinc/75/72/55/951757255.db2.gz JBBZXNKIVOMIES-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575090090 951757251 /nfs/dbraw/zinc/75/72/51/951757251.db2.gz JBBZXNKIVOMIES-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090301 951759873 /nfs/dbraw/zinc/75/98/73/951759873.db2.gz KLZHSBCQDGSGBF-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090301 951759867 /nfs/dbraw/zinc/75/98/67/951759867.db2.gz KLZHSBCQDGSGBF-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090303 951760286 /nfs/dbraw/zinc/76/02/86/951760286.db2.gz KLZHSBCQDGSGBF-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090303 951760277 /nfs/dbraw/zinc/76/02/77/951760277.db2.gz KLZHSBCQDGSGBF-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090305 951759812 /nfs/dbraw/zinc/75/98/12/951759812.db2.gz KLZHSBCQDGSGBF-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090305 951759807 /nfs/dbraw/zinc/75/98/07/951759807.db2.gz KLZHSBCQDGSGBF-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090308 951760905 /nfs/dbraw/zinc/76/09/05/951760905.db2.gz KLZHSBCQDGSGBF-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090308 951760899 /nfs/dbraw/zinc/76/08/99/951760899.db2.gz KLZHSBCQDGSGBF-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090905 951765246 /nfs/dbraw/zinc/76/52/46/951765246.db2.gz NXKXWNMMCLTOFL-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090905 951765243 /nfs/dbraw/zinc/76/52/43/951765243.db2.gz NXKXWNMMCLTOFL-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090906 951765618 /nfs/dbraw/zinc/76/56/18/951765618.db2.gz NXKXWNMMCLTOFL-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090906 951765614 /nfs/dbraw/zinc/76/56/14/951765614.db2.gz NXKXWNMMCLTOFL-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090988 951766547 /nfs/dbraw/zinc/76/65/47/951766547.db2.gz ORPSQLLCKJIXLC-BIMULSAOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090988 951766537 /nfs/dbraw/zinc/76/65/37/951766537.db2.gz ORPSQLLCKJIXLC-BIMULSAOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090990 951765999 /nfs/dbraw/zinc/76/59/99/951765999.db2.gz ORPSQLLCKJIXLC-WQAKAFBOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090990 951765991 /nfs/dbraw/zinc/76/59/91/951765991.db2.gz ORPSQLLCKJIXLC-WQAKAFBOSA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091354 951776061 /nfs/dbraw/zinc/77/60/61/951776061.db2.gz PZYJAKUTEPZKSR-GWCFXTLKSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091354 951776052 /nfs/dbraw/zinc/77/60/52/951776052.db2.gz PZYJAKUTEPZKSR-GWCFXTLKSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091360 951775773 /nfs/dbraw/zinc/77/57/73/951775773.db2.gz PZYJAKUTEPZKSR-MFKMUULPSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091360 951775764 /nfs/dbraw/zinc/77/57/64/951775764.db2.gz PZYJAKUTEPZKSR-MFKMUULPSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091596 951779984 /nfs/dbraw/zinc/77/99/84/951779984.db2.gz SNVBMBCMPUGHLF-LLVKDONJSA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091596 951779978 /nfs/dbraw/zinc/77/99/78/951779978.db2.gz SNVBMBCMPUGHLF-LLVKDONJSA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091597 951779791 /nfs/dbraw/zinc/77/97/91/951779791.db2.gz SNVBMBCMPUGHLF-NSHDSACASA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091597 951779788 /nfs/dbraw/zinc/77/97/88/951779788.db2.gz SNVBMBCMPUGHLF-NSHDSACASA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091659 951780708 /nfs/dbraw/zinc/78/07/08/951780708.db2.gz UDOOZRXIIIXHPK-CYBMUJFWSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091659 951780702 /nfs/dbraw/zinc/78/07/02/951780702.db2.gz UDOOZRXIIIXHPK-CYBMUJFWSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091660 951780401 /nfs/dbraw/zinc/78/04/01/951780401.db2.gz UDOOZRXIIIXHPK-ZDUSSCGKSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091660 951780392 /nfs/dbraw/zinc/78/03/92/951780392.db2.gz UDOOZRXIIIXHPK-ZDUSSCGKSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091951 951787241 /nfs/dbraw/zinc/78/72/41/951787241.db2.gz ZOMJTWSYIOENHA-LLVKDONJSA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091951 951787233 /nfs/dbraw/zinc/78/72/33/951787233.db2.gz ZOMJTWSYIOENHA-LLVKDONJSA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091952 951787940 /nfs/dbraw/zinc/78/79/40/951787940.db2.gz ZOMJTWSYIOENHA-NSHDSACASA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091952 951787935 /nfs/dbraw/zinc/78/79/35/951787935.db2.gz ZOMJTWSYIOENHA-NSHDSACASA-N 0 3 388.411 -0.076 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575092037 951788807 /nfs/dbraw/zinc/78/88/07/951788807.db2.gz YKQTUMKWLRWCCJ-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575092038 951788830 /nfs/dbraw/zinc/78/88/30/951788830.db2.gz YKQTUMKWLRWCCJ-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575092039 951789817 /nfs/dbraw/zinc/78/98/17/951789817.db2.gz YKQTUMKWLRWCCJ-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575092040 951789592 /nfs/dbraw/zinc/78/95/92/951789592.db2.gz YKQTUMKWLRWCCJ-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575092160 951790810 /nfs/dbraw/zinc/79/08/10/951790810.db2.gz AKUGYBAADSTRNM-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575092160 951790804 /nfs/dbraw/zinc/79/08/04/951790804.db2.gz AKUGYBAADSTRNM-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575092162 951791477 /nfs/dbraw/zinc/79/14/77/951791477.db2.gz AKUGYBAADSTRNM-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575092162 951791470 /nfs/dbraw/zinc/79/14/70/951791470.db2.gz AKUGYBAADSTRNM-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575094223 951802464 /nfs/dbraw/zinc/80/24/64/951802464.db2.gz LXFHZGYRZMBNIX-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575094223 951802458 /nfs/dbraw/zinc/80/24/58/951802458.db2.gz LXFHZGYRZMBNIX-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575094226 951802973 /nfs/dbraw/zinc/80/29/73/951802973.db2.gz LXFHZGYRZMBNIX-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575094226 951802955 /nfs/dbraw/zinc/80/29/55/951802955.db2.gz LXFHZGYRZMBNIX-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095461 951811807 /nfs/dbraw/zinc/81/18/07/951811807.db2.gz UFOLSOCMDHGGEM-BYCMXARLSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095461 951811803 /nfs/dbraw/zinc/81/18/03/951811803.db2.gz UFOLSOCMDHGGEM-BYCMXARLSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095462 951810738 /nfs/dbraw/zinc/81/07/38/951810738.db2.gz UFOLSOCMDHGGEM-TUKIKUTGSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095462 951810732 /nfs/dbraw/zinc/81/07/32/951810732.db2.gz UFOLSOCMDHGGEM-TUKIKUTGSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575095677 951812930 /nfs/dbraw/zinc/81/29/30/951812930.db2.gz VKVKKPSLMRNADJ-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575095677 951812923 /nfs/dbraw/zinc/81/29/23/951812923.db2.gz VKVKKPSLMRNADJ-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575095679 951813145 /nfs/dbraw/zinc/81/31/45/951813145.db2.gz VKVKKPSLMRNADJ-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575095679 951813134 /nfs/dbraw/zinc/81/31/34/951813134.db2.gz VKVKKPSLMRNADJ-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101190 951855953 /nfs/dbraw/zinc/85/59/53/951855953.db2.gz ATKNMHFMOKYRLC-JLLWLGSASA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101190 951855949 /nfs/dbraw/zinc/85/59/49/951855949.db2.gz ATKNMHFMOKYRLC-JLLWLGSASA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101191 951855665 /nfs/dbraw/zinc/85/56/65/951855665.db2.gz ATKNMHFMOKYRLC-WCQGTBRESA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101191 951855662 /nfs/dbraw/zinc/85/56/62/951855662.db2.gz ATKNMHFMOKYRLC-WCQGTBRESA-N 0 3 375.408 -0.031 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101192 951856098 /nfs/dbraw/zinc/85/60/98/951856098.db2.gz ATLVFDMKLQOLNK-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101192 951856093 /nfs/dbraw/zinc/85/60/93/951856093.db2.gz ATLVFDMKLQOLNK-JTQLQIEISA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101193 951855551 /nfs/dbraw/zinc/85/55/51/951855551.db2.gz ATLVFDMKLQOLNK-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101193 951855545 /nfs/dbraw/zinc/85/55/45/951855545.db2.gz ATLVFDMKLQOLNK-SNVBAGLBSA-N 0 3 378.412 -0.094 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101758 951863135 /nfs/dbraw/zinc/86/31/35/951863135.db2.gz JINYOALPNOYNEV-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101758 951863126 /nfs/dbraw/zinc/86/31/26/951863126.db2.gz JINYOALPNOYNEV-NOZJJQNGSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101759 951864924 /nfs/dbraw/zinc/86/49/24/951864924.db2.gz JINYOALPNOYNEV-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101759 951864910 /nfs/dbraw/zinc/86/49/10/951864910.db2.gz JINYOALPNOYNEV-RNCFNFMXSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101760 951863669 /nfs/dbraw/zinc/86/36/69/951863669.db2.gz JINYOALPNOYNEV-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101760 951863658 /nfs/dbraw/zinc/86/36/58/951863658.db2.gz JINYOALPNOYNEV-TVQRCGJNSA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101761 951863543 /nfs/dbraw/zinc/86/35/43/951863543.db2.gz JINYOALPNOYNEV-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101761 951863533 /nfs/dbraw/zinc/86/35/33/951863533.db2.gz JINYOALPNOYNEV-ZANVPECISA-N 0 3 376.396 -0.471 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102397 951868894 /nfs/dbraw/zinc/86/88/94/951868894.db2.gz MNNAJRMVQGVWBZ-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102397 951868885 /nfs/dbraw/zinc/86/88/85/951868885.db2.gz MNNAJRMVQGVWBZ-HZMBPMFUSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102398 951867685 /nfs/dbraw/zinc/86/76/85/951867685.db2.gz MNNAJRMVQGVWBZ-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102398 951867675 /nfs/dbraw/zinc/86/76/75/951867675.db2.gz MNNAJRMVQGVWBZ-IINYFYTJSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102399 951868535 /nfs/dbraw/zinc/86/85/35/951868535.db2.gz MNNAJRMVQGVWBZ-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102399 951868525 /nfs/dbraw/zinc/86/85/25/951868525.db2.gz MNNAJRMVQGVWBZ-QMTHXVAHSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102400 951867392 /nfs/dbraw/zinc/86/73/92/951867392.db2.gz MNNAJRMVQGVWBZ-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102400 951867384 /nfs/dbraw/zinc/86/73/84/951867384.db2.gz MNNAJRMVQGVWBZ-YGRLFVJLSA-N 0 3 390.423 -0.129 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103038 951874476 /nfs/dbraw/zinc/87/44/76/951874476.db2.gz RICAREYWMPJLAB-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103038 951874471 /nfs/dbraw/zinc/87/44/71/951874471.db2.gz RICAREYWMPJLAB-UWVGGRQHSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103039 951874051 /nfs/dbraw/zinc/87/40/51/951874051.db2.gz RICAREYWMPJLAB-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103039 951874029 /nfs/dbraw/zinc/87/40/29/951874029.db2.gz RICAREYWMPJLAB-ZJUUUORDSA-N 0 3 378.412 -0.096 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103266 951873559 /nfs/dbraw/zinc/87/35/59/951873559.db2.gz SDXJWIJHZLSDHY-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103266 951873555 /nfs/dbraw/zinc/87/35/55/951873555.db2.gz SDXJWIJHZLSDHY-NOZJJQNGSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103267 951873415 /nfs/dbraw/zinc/87/34/15/951873415.db2.gz SDXJWIJHZLSDHY-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103267 951873411 /nfs/dbraw/zinc/87/34/11/951873411.db2.gz SDXJWIJHZLSDHY-RNCFNFMXSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103268 951873377 /nfs/dbraw/zinc/87/33/77/951873377.db2.gz SDXJWIJHZLSDHY-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103268 951873373 /nfs/dbraw/zinc/87/33/73/951873373.db2.gz SDXJWIJHZLSDHY-TVQRCGJNSA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103271 951874506 /nfs/dbraw/zinc/87/45/06/951874506.db2.gz SDXJWIJHZLSDHY-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103271 951874502 /nfs/dbraw/zinc/87/45/02/951874502.db2.gz SDXJWIJHZLSDHY-ZANVPECISA-N 0 3 377.380 -0.044 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575104427 951886474 /nfs/dbraw/zinc/88/64/74/951886474.db2.gz CGRHXQROZHSSAB-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575104427 951886471 /nfs/dbraw/zinc/88/64/71/951886471.db2.gz CGRHXQROZHSSAB-NOZJJQNGSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575104428 951886042 /nfs/dbraw/zinc/88/60/42/951886042.db2.gz CGRHXQROZHSSAB-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575104428 951886036 /nfs/dbraw/zinc/88/60/36/951886036.db2.gz CGRHXQROZHSSAB-RNCFNFMXSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575104429 951886792 /nfs/dbraw/zinc/88/67/92/951886792.db2.gz CGRHXQROZHSSAB-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575104429 951886784 /nfs/dbraw/zinc/88/67/84/951886784.db2.gz CGRHXQROZHSSAB-TVQRCGJNSA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575104430 951885876 /nfs/dbraw/zinc/88/58/76/951885876.db2.gz CGRHXQROZHSSAB-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575104430 951885870 /nfs/dbraw/zinc/88/58/70/951885870.db2.gz CGRHXQROZHSSAB-ZANVPECISA-N 0 3 376.396 -0.376 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575105416 951893925 /nfs/dbraw/zinc/89/39/25/951893925.db2.gz JEICPXUGUYZIEV-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575105416 951893920 /nfs/dbraw/zinc/89/39/20/951893920.db2.gz JEICPXUGUYZIEV-HZMBPMFUSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575105417 951893898 /nfs/dbraw/zinc/89/38/98/951893898.db2.gz JEICPXUGUYZIEV-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575105417 951893892 /nfs/dbraw/zinc/89/38/92/951893892.db2.gz JEICPXUGUYZIEV-IINYFYTJSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575105418 951894256 /nfs/dbraw/zinc/89/42/56/951894256.db2.gz JEICPXUGUYZIEV-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575105418 951894248 /nfs/dbraw/zinc/89/42/48/951894248.db2.gz JEICPXUGUYZIEV-QMTHXVAHSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575105419 951894538 /nfs/dbraw/zinc/89/45/38/951894538.db2.gz JEICPXUGUYZIEV-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575105419 951894529 /nfs/dbraw/zinc/89/45/29/951894529.db2.gz JEICPXUGUYZIEV-YGRLFVJLSA-N 0 3 390.423 -0.034 20 0 GBADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CS(C)(=O)=O ZINC001575105444 951893811 /nfs/dbraw/zinc/89/38/11/951893811.db2.gz JTIYAPQRMMIYOJ-JTQLQIEISA-N 0 3 384.437 -0.013 20 0 GBADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CS(C)(=O)=O ZINC001575105445 951893100 /nfs/dbraw/zinc/89/31/00/951893100.db2.gz JTIYAPQRMMIYOJ-SNVBAGLBSA-N 0 3 384.437 -0.013 20 0 GBADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575105614 951896160 /nfs/dbraw/zinc/89/61/60/951896160.db2.gz LNFBGLNKMVWPDX-KBXCAEBGSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575105614 951896155 /nfs/dbraw/zinc/89/61/55/951896155.db2.gz LNFBGLNKMVWPDX-KBXCAEBGSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575105615 951897190 /nfs/dbraw/zinc/89/71/90/951897190.db2.gz LNFBGLNKMVWPDX-KDOFPFPSSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575105615 951897182 /nfs/dbraw/zinc/89/71/82/951897182.db2.gz LNFBGLNKMVWPDX-KDOFPFPSSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575105616 951895149 /nfs/dbraw/zinc/89/51/49/951895149.db2.gz LNFBGLNKMVWPDX-KSSFIOAISA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575105616 951895146 /nfs/dbraw/zinc/89/51/46/951895146.db2.gz LNFBGLNKMVWPDX-KSSFIOAISA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575105617 951896984 /nfs/dbraw/zinc/89/69/84/951896984.db2.gz LNFBGLNKMVWPDX-RDTXWAMCSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575105617 951896976 /nfs/dbraw/zinc/89/69/76/951896976.db2.gz LNFBGLNKMVWPDX-RDTXWAMCSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105664 951898190 /nfs/dbraw/zinc/89/81/90/951898190.db2.gz MJMRTZKLRLVDMJ-CYBMUJFWSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105664 951898181 /nfs/dbraw/zinc/89/81/81/951898181.db2.gz MJMRTZKLRLVDMJ-CYBMUJFWSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105665 951897751 /nfs/dbraw/zinc/89/77/51/951897751.db2.gz MJMRTZKLRLVDMJ-ZDUSSCGKSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105665 951897741 /nfs/dbraw/zinc/89/77/41/951897741.db2.gz MJMRTZKLRLVDMJ-ZDUSSCGKSA-N 0 3 386.460 -0.860 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105672 951897833 /nfs/dbraw/zinc/89/78/33/951897833.db2.gz MRNGFTWRDQFMGR-CYBMUJFWSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105672 951897825 /nfs/dbraw/zinc/89/78/25/951897825.db2.gz MRNGFTWRDQFMGR-CYBMUJFWSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105673 951898756 /nfs/dbraw/zinc/89/87/56/951898756.db2.gz MRNGFTWRDQFMGR-ZDUSSCGKSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105673 951898747 /nfs/dbraw/zinc/89/87/47/951898747.db2.gz MRNGFTWRDQFMGR-ZDUSSCGKSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106180 951903020 /nfs/dbraw/zinc/90/30/20/951903020.db2.gz QUIWBNZAMYTTPG-LLVKDONJSA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106180 951903016 /nfs/dbraw/zinc/90/30/16/951903016.db2.gz QUIWBNZAMYTTPG-LLVKDONJSA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106183 951903390 /nfs/dbraw/zinc/90/33/90/951903390.db2.gz QUIWBNZAMYTTPG-NSHDSACASA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106183 951903379 /nfs/dbraw/zinc/90/33/79/951903379.db2.gz QUIWBNZAMYTTPG-NSHDSACASA-N 0 3 378.458 -0.247 20 0 GBADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575106995 951909079 /nfs/dbraw/zinc/90/90/79/951909079.db2.gz XCMJQQHUQLOQGK-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575106995 951909070 /nfs/dbraw/zinc/90/90/70/951909070.db2.gz XCMJQQHUQLOQGK-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575106996 951911890 /nfs/dbraw/zinc/91/18/90/951911890.db2.gz XCMJQQHUQLOQGK-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575106996 951911884 /nfs/dbraw/zinc/91/18/84/951911884.db2.gz XCMJQQHUQLOQGK-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107041 951910841 /nfs/dbraw/zinc/91/08/41/951910841.db2.gz XRNWLUIDNFDDGW-LLVKDONJSA-N 0 3 385.428 -0.239 20 0 GBADHN C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107041 951910838 /nfs/dbraw/zinc/91/08/38/951910838.db2.gz XRNWLUIDNFDDGW-LLVKDONJSA-N 0 3 385.428 -0.239 20 0 GBADHN C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107042 951911618 /nfs/dbraw/zinc/91/16/18/951911618.db2.gz XRNWLUIDNFDDGW-NSHDSACASA-N 0 3 385.428 -0.239 20 0 GBADHN C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107042 951911617 /nfs/dbraw/zinc/91/16/17/951911617.db2.gz XRNWLUIDNFDDGW-NSHDSACASA-N 0 3 385.428 -0.239 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575107207 951916161 /nfs/dbraw/zinc/91/61/61/951916161.db2.gz BFOGJEXTNNTWCF-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575107207 951916151 /nfs/dbraw/zinc/91/61/51/951916151.db2.gz BFOGJEXTNNTWCF-CYBMUJFWSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575107208 951915653 /nfs/dbraw/zinc/91/56/53/951915653.db2.gz BFOGJEXTNNTWCF-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575107208 951915652 /nfs/dbraw/zinc/91/56/52/951915652.db2.gz BFOGJEXTNNTWCF-ZDUSSCGKSA-N 0 3 386.460 -0.765 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575107415 951919320 /nfs/dbraw/zinc/91/93/20/951919320.db2.gz FEBIVUJBPBERLG-LLVKDONJSA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575107415 951919313 /nfs/dbraw/zinc/91/93/13/951919313.db2.gz FEBIVUJBPBERLG-LLVKDONJSA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575107417 951919476 /nfs/dbraw/zinc/91/94/76/951919476.db2.gz FEBIVUJBPBERLG-NSHDSACASA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575107417 951919469 /nfs/dbraw/zinc/91/94/69/951919469.db2.gz FEBIVUJBPBERLG-NSHDSACASA-N 0 3 378.458 -0.152 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575107615 951919720 /nfs/dbraw/zinc/91/97/20/951919720.db2.gz GOJNAGWNJNCIBC-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575107615 951919714 /nfs/dbraw/zinc/91/97/14/951919714.db2.gz GOJNAGWNJNCIBC-BYCMXARLSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575107617 951919421 /nfs/dbraw/zinc/91/94/21/951919421.db2.gz GOJNAGWNJNCIBC-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575107617 951919412 /nfs/dbraw/zinc/91/94/12/951919412.db2.gz GOJNAGWNJNCIBC-TUKIKUTGSA-N 0 3 387.444 -0.164 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575107690 951921717 /nfs/dbraw/zinc/92/17/17/951921717.db2.gz HWXORXOFGZTFSC-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575107690 951921712 /nfs/dbraw/zinc/92/17/12/951921712.db2.gz HWXORXOFGZTFSC-GWCFXTLKSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575107691 951921275 /nfs/dbraw/zinc/92/12/75/951921275.db2.gz HWXORXOFGZTFSC-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575107691 951921270 /nfs/dbraw/zinc/92/12/70/951921270.db2.gz HWXORXOFGZTFSC-MFKMUULPSA-N 0 3 386.416 -0.599 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCOCC1=O ZINC001575107908 951921754 /nfs/dbraw/zinc/92/17/54/951921754.db2.gz IJKKEPRSIUEZPP-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCOCC1=O ZINC001575107908 951921749 /nfs/dbraw/zinc/92/17/49/951921749.db2.gz IJKKEPRSIUEZPP-CYBMUJFWSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCOCC1=O ZINC001575107909 951921035 /nfs/dbraw/zinc/92/10/35/951921035.db2.gz IJKKEPRSIUEZPP-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCOCC1=O ZINC001575107909 951921029 /nfs/dbraw/zinc/92/10/29/951921029.db2.gz IJKKEPRSIUEZPP-ZDUSSCGKSA-N 0 3 387.444 -0.338 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108757 951925912 /nfs/dbraw/zinc/92/59/12/951925912.db2.gz NGHNEVYIFWAXPV-BYCMXARLSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108757 951925908 /nfs/dbraw/zinc/92/59/08/951925908.db2.gz NGHNEVYIFWAXPV-BYCMXARLSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108759 951926157 /nfs/dbraw/zinc/92/61/57/951926157.db2.gz NGHNEVYIFWAXPV-TUKIKUTGSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108759 951926153 /nfs/dbraw/zinc/92/61/53/951926153.db2.gz NGHNEVYIFWAXPV-TUKIKUTGSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108783 951926081 /nfs/dbraw/zinc/92/60/81/951926081.db2.gz NLWQIHHYRIBZAB-GWCFXTLKSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108783 951926080 /nfs/dbraw/zinc/92/60/80/951926080.db2.gz NLWQIHHYRIBZAB-GWCFXTLKSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108785 951925961 /nfs/dbraw/zinc/92/59/61/951925961.db2.gz NLWQIHHYRIBZAB-MFKMUULPSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108785 951925957 /nfs/dbraw/zinc/92/59/57/951925957.db2.gz NLWQIHHYRIBZAB-MFKMUULPSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575109571 951931673 /nfs/dbraw/zinc/93/16/73/951931673.db2.gz SOYPQIAQMGVPNR-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575109571 951931668 /nfs/dbraw/zinc/93/16/68/951931668.db2.gz SOYPQIAQMGVPNR-GFCCVEGCSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575109572 951932099 /nfs/dbraw/zinc/93/20/99/951932099.db2.gz SOYPQIAQMGVPNR-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575109572 951932091 /nfs/dbraw/zinc/93/20/91/951932091.db2.gz SOYPQIAQMGVPNR-LBPRGKRZSA-N 0 3 385.432 -0.601 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575110250 951937998 /nfs/dbraw/zinc/93/79/98/951937998.db2.gz YVAXKYQVXKPXIR-GFCCVEGCSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575110250 951937995 /nfs/dbraw/zinc/93/79/95/951937995.db2.gz YVAXKYQVXKPXIR-GFCCVEGCSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575110251 951937298 /nfs/dbraw/zinc/93/72/98/951937298.db2.gz YVAXKYQVXKPXIR-LBPRGKRZSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575110251 951937293 /nfs/dbraw/zinc/93/72/93/951937293.db2.gz YVAXKYQVXKPXIR-LBPRGKRZSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001575110264 951937079 /nfs/dbraw/zinc/93/70/79/951937079.db2.gz ZAAVTYNGXJKMBJ-BXUZGUMPSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001575110264 951937073 /nfs/dbraw/zinc/93/70/73/951937073.db2.gz ZAAVTYNGXJKMBJ-BXUZGUMPSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001575110265 951940182 /nfs/dbraw/zinc/94/01/82/951940182.db2.gz ZAAVTYNGXJKMBJ-FZMZJTMJSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001575110265 951940178 /nfs/dbraw/zinc/94/01/78/951940178.db2.gz ZAAVTYNGXJKMBJ-FZMZJTMJSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001575110266 951939443 /nfs/dbraw/zinc/93/94/43/951939443.db2.gz ZAAVTYNGXJKMBJ-RISCZKNCSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001575110266 951939439 /nfs/dbraw/zinc/93/94/39/951939439.db2.gz ZAAVTYNGXJKMBJ-RISCZKNCSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001575110267 951939415 /nfs/dbraw/zinc/93/94/15/951939415.db2.gz ZAAVTYNGXJKMBJ-SMDDNHRTSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001575110267 951939412 /nfs/dbraw/zinc/93/94/12/951939412.db2.gz ZAAVTYNGXJKMBJ-SMDDNHRTSA-N 0 3 385.428 -0.144 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575113389 951940952 /nfs/dbraw/zinc/94/09/52/951940952.db2.gz AONLRZGHAAYLPD-KBXCAEBGSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575113389 951940943 /nfs/dbraw/zinc/94/09/43/951940943.db2.gz AONLRZGHAAYLPD-KBXCAEBGSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575113390 951940732 /nfs/dbraw/zinc/94/07/32/951940732.db2.gz AONLRZGHAAYLPD-KDOFPFPSSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575113390 951940725 /nfs/dbraw/zinc/94/07/25/951940725.db2.gz AONLRZGHAAYLPD-KDOFPFPSSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575113391 951941433 /nfs/dbraw/zinc/94/14/33/951941433.db2.gz AONLRZGHAAYLPD-KSSFIOAISA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575113391 951941428 /nfs/dbraw/zinc/94/14/28/951941428.db2.gz AONLRZGHAAYLPD-KSSFIOAISA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575113392 951941979 /nfs/dbraw/zinc/94/19/79/951941979.db2.gz AONLRZGHAAYLPD-RDTXWAMCSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575113392 951941972 /nfs/dbraw/zinc/94/19/72/951941972.db2.gz AONLRZGHAAYLPD-RDTXWAMCSA-N 0 3 384.444 -0.077 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113395 951941368 /nfs/dbraw/zinc/94/13/68/951941368.db2.gz AUIBBNJYQOQBPA-GWCFXTLKSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113395 951941365 /nfs/dbraw/zinc/94/13/65/951941365.db2.gz AUIBBNJYQOQBPA-GWCFXTLKSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113396 951941638 /nfs/dbraw/zinc/94/16/38/951941638.db2.gz AUIBBNJYQOQBPA-MFKMUULPSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113396 951941634 /nfs/dbraw/zinc/94/16/34/951941634.db2.gz AUIBBNJYQOQBPA-MFKMUULPSA-N 0 3 386.416 -0.693 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113657 951943582 /nfs/dbraw/zinc/94/35/82/951943582.db2.gz CTILGHYWNRHAIT-BYCMXARLSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113657 951943576 /nfs/dbraw/zinc/94/35/76/951943576.db2.gz CTILGHYWNRHAIT-BYCMXARLSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113658 951942821 /nfs/dbraw/zinc/94/28/21/951942821.db2.gz CTILGHYWNRHAIT-TUKIKUTGSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113658 951942816 /nfs/dbraw/zinc/94/28/16/951942816.db2.gz CTILGHYWNRHAIT-TUKIKUTGSA-N 0 3 387.444 -0.259 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114562 951956312 /nfs/dbraw/zinc/95/63/12/951956312.db2.gz QFNDGWGEGKUOLP-GFCCVEGCSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114562 951956305 /nfs/dbraw/zinc/95/63/05/951956305.db2.gz QFNDGWGEGKUOLP-GFCCVEGCSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114563 951956822 /nfs/dbraw/zinc/95/68/22/951956822.db2.gz QFNDGWGEGKUOLP-LBPRGKRZSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114563 951956820 /nfs/dbraw/zinc/95/68/20/951956820.db2.gz QFNDGWGEGKUOLP-LBPRGKRZSA-N 0 3 385.432 -0.696 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575115090 951961139 /nfs/dbraw/zinc/96/11/39/951961139.db2.gz UMPMREQHQYYVBD-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575115090 951961129 /nfs/dbraw/zinc/96/11/29/951961129.db2.gz UMPMREQHQYYVBD-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575115092 951960264 /nfs/dbraw/zinc/96/02/64/951960264.db2.gz UMPMREQHQYYVBD-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575115092 951960256 /nfs/dbraw/zinc/96/02/56/951960256.db2.gz UMPMREQHQYYVBD-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115134 951962313 /nfs/dbraw/zinc/96/23/13/951962313.db2.gz UYNDPEUJDMJSAN-CYBMUJFWSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115134 951962307 /nfs/dbraw/zinc/96/23/07/951962307.db2.gz UYNDPEUJDMJSAN-CYBMUJFWSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115136 951962279 /nfs/dbraw/zinc/96/22/79/951962279.db2.gz UYNDPEUJDMJSAN-ZDUSSCGKSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115136 951962275 /nfs/dbraw/zinc/96/22/75/951962275.db2.gz UYNDPEUJDMJSAN-ZDUSSCGKSA-N 0 3 387.444 -0.433 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575115207 951962012 /nfs/dbraw/zinc/96/20/12/951962012.db2.gz VUTFRDHXVSWZRG-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575115207 951962003 /nfs/dbraw/zinc/96/20/03/951962003.db2.gz VUTFRDHXVSWZRG-KRWDZBQOSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575115208 951962259 /nfs/dbraw/zinc/96/22/59/951962259.db2.gz VUTFRDHXVSWZRG-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575115208 951962252 /nfs/dbraw/zinc/96/22/52/951962252.db2.gz VUTFRDHXVSWZRG-QGZVFWFLSA-N 0 3 382.432 -0.072 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575116497 951970486 /nfs/dbraw/zinc/97/04/86/951970486.db2.gz CVEYNFCERRTGRL-MNOVXSKESA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575116497 951970478 /nfs/dbraw/zinc/97/04/78/951970478.db2.gz CVEYNFCERRTGRL-MNOVXSKESA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575116498 951970425 /nfs/dbraw/zinc/97/04/25/951970425.db2.gz CVEYNFCERRTGRL-QWRGUYRKSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575116498 951970419 /nfs/dbraw/zinc/97/04/19/951970419.db2.gz CVEYNFCERRTGRL-QWRGUYRKSA-N 0 3 383.478 -0.027 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575116733 951971578 /nfs/dbraw/zinc/97/15/78/951971578.db2.gz HBTYTEURJHLAKQ-GARJFASQSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)CS(C)(=O)=O ZINC001575116733 951971572 /nfs/dbraw/zinc/97/15/72/951971572.db2.gz HBTYTEURJHLAKQ-GARJFASQSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575116734 951972245 /nfs/dbraw/zinc/97/22/45/951972245.db2.gz HBTYTEURJHLAKQ-MXWKQRLJSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)CS(C)(=O)=O ZINC001575116734 951972241 /nfs/dbraw/zinc/97/22/41/951972241.db2.gz HBTYTEURJHLAKQ-MXWKQRLJSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116781 951973978 /nfs/dbraw/zinc/97/39/78/951973978.db2.gz INDKIEMFZOFMBY-DLOVCJGASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116781 951973971 /nfs/dbraw/zinc/97/39/71/951973971.db2.gz INDKIEMFZOFMBY-DLOVCJGASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116782 951973768 /nfs/dbraw/zinc/97/37/68/951973768.db2.gz INDKIEMFZOFMBY-JLLWLGSASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116782 951973764 /nfs/dbraw/zinc/97/37/64/951973764.db2.gz INDKIEMFZOFMBY-JLLWLGSASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116783 951974431 /nfs/dbraw/zinc/97/44/31/951974431.db2.gz INDKIEMFZOFMBY-YUSALJHKSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116783 951974420 /nfs/dbraw/zinc/97/44/20/951974420.db2.gz INDKIEMFZOFMBY-YUSALJHKSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116784 951973912 /nfs/dbraw/zinc/97/39/12/951973912.db2.gz INDKIEMFZOFMBY-ZMLRMANQSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)CS(C)(=O)=O ZINC001575116784 951973910 /nfs/dbraw/zinc/97/39/10/951973910.db2.gz INDKIEMFZOFMBY-ZMLRMANQSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)CS(C)(=O)=O ZINC001575117453 951979561 /nfs/dbraw/zinc/97/95/61/951979561.db2.gz OANKSFGEPJORKL-CMPLNLGQSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)CS(C)(=O)=O ZINC001575117453 951979552 /nfs/dbraw/zinc/97/95/52/951979552.db2.gz OANKSFGEPJORKL-CMPLNLGQSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)CS(C)(=O)=O ZINC001575117454 951980266 /nfs/dbraw/zinc/98/02/66/951980266.db2.gz OANKSFGEPJORKL-ZYHUDNBSSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)CS(C)(=O)=O ZINC001575117454 951980262 /nfs/dbraw/zinc/98/02/62/951980262.db2.gz OANKSFGEPJORKL-ZYHUDNBSSA-N 0 3 381.462 -0.320 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575117689 951982315 /nfs/dbraw/zinc/98/23/15/951982315.db2.gz OQOMGGRAEQBNBZ-DLOVCJGASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)CS(C)(=O)=O ZINC001575117689 951982307 /nfs/dbraw/zinc/98/23/07/951982307.db2.gz OQOMGGRAEQBNBZ-DLOVCJGASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575117690 951981540 /nfs/dbraw/zinc/98/15/40/951981540.db2.gz OQOMGGRAEQBNBZ-JLLWLGSASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)CS(C)(=O)=O ZINC001575117690 951981536 /nfs/dbraw/zinc/98/15/36/951981536.db2.gz OQOMGGRAEQBNBZ-JLLWLGSASA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575117691 951981523 /nfs/dbraw/zinc/98/15/23/951981523.db2.gz OQOMGGRAEQBNBZ-YUSALJHKSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)CS(C)(=O)=O ZINC001575117691 951981518 /nfs/dbraw/zinc/98/15/18/951981518.db2.gz OQOMGGRAEQBNBZ-YUSALJHKSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)CS(C)(=O)=O ZINC001575117692 951981022 /nfs/dbraw/zinc/98/10/22/951981022.db2.gz OQOMGGRAEQBNBZ-ZMLRMANQSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)CS(C)(=O)=O ZINC001575117692 951981009 /nfs/dbraw/zinc/98/10/09/951981009.db2.gz OQOMGGRAEQBNBZ-ZMLRMANQSA-N 0 3 381.462 -0.274 20 0 GBADHN C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575252298 949159863 /nfs/dbraw/zinc/15/98/63/949159863.db2.gz FEBYOYIEZLEPDW-LLVKDONJSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575252301 949160877 /nfs/dbraw/zinc/16/08/77/949160877.db2.gz FEBYOYIEZLEPDW-NSHDSACASA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253554 949189659 /nfs/dbraw/zinc/18/96/59/949189659.db2.gz KPCYNMOESCCQOQ-LLVKDONJSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253561 949191406 /nfs/dbraw/zinc/19/14/06/949191406.db2.gz KPCYNMOESCCQOQ-NSHDSACASA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575256126 949241698 /nfs/dbraw/zinc/24/16/98/949241698.db2.gz SUECVXZVXCTIAB-LLVKDONJSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575256126 949241687 /nfs/dbraw/zinc/24/16/87/949241687.db2.gz SUECVXZVXCTIAB-LLVKDONJSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575256127 949243918 /nfs/dbraw/zinc/24/39/18/949243918.db2.gz SUECVXZVXCTIAB-NSHDSACASA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575256127 949243905 /nfs/dbraw/zinc/24/39/05/949243905.db2.gz SUECVXZVXCTIAB-NSHDSACASA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575270097 949570090 /nfs/dbraw/zinc/57/00/90/949570090.db2.gz BCDKUESWXADZET-BXUZGUMPSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575270097 949570081 /nfs/dbraw/zinc/57/00/81/949570081.db2.gz BCDKUESWXADZET-BXUZGUMPSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575270098 949573219 /nfs/dbraw/zinc/57/32/19/949573219.db2.gz BCDKUESWXADZET-FZMZJTMJSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575270098 949573201 /nfs/dbraw/zinc/57/32/01/949573201.db2.gz BCDKUESWXADZET-FZMZJTMJSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575270099 949571346 /nfs/dbraw/zinc/57/13/46/949571346.db2.gz BCDKUESWXADZET-RISCZKNCSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575270099 949571327 /nfs/dbraw/zinc/57/13/27/949571327.db2.gz BCDKUESWXADZET-RISCZKNCSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575270100 949570962 /nfs/dbraw/zinc/57/09/62/949570962.db2.gz BCDKUESWXADZET-SMDDNHRTSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575270100 949570957 /nfs/dbraw/zinc/57/09/57/949570957.db2.gz BCDKUESWXADZET-SMDDNHRTSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272258 949637394 /nfs/dbraw/zinc/63/73/94/949637394.db2.gz OBJVDQUSIUXFEI-BXUZGUMPSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272258 949637384 /nfs/dbraw/zinc/63/73/84/949637384.db2.gz OBJVDQUSIUXFEI-BXUZGUMPSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272259 949637118 /nfs/dbraw/zinc/63/71/18/949637118.db2.gz OBJVDQUSIUXFEI-FZMZJTMJSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272259 949637108 /nfs/dbraw/zinc/63/71/08/949637108.db2.gz OBJVDQUSIUXFEI-FZMZJTMJSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272260 949637300 /nfs/dbraw/zinc/63/73/00/949637300.db2.gz OBJVDQUSIUXFEI-RISCZKNCSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272260 949637290 /nfs/dbraw/zinc/63/72/90/949637290.db2.gz OBJVDQUSIUXFEI-RISCZKNCSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272261 949637420 /nfs/dbraw/zinc/63/74/20/949637420.db2.gz OBJVDQUSIUXFEI-SMDDNHRTSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272261 949637412 /nfs/dbraw/zinc/63/74/12/949637412.db2.gz OBJVDQUSIUXFEI-SMDDNHRTSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575273603 949668997 /nfs/dbraw/zinc/66/89/97/949668997.db2.gz XLVCTNPQDFUICV-BXUZGUMPSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575273603 949668990 /nfs/dbraw/zinc/66/89/90/949668990.db2.gz XLVCTNPQDFUICV-BXUZGUMPSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575273604 949669866 /nfs/dbraw/zinc/66/98/66/949669866.db2.gz XLVCTNPQDFUICV-FZMZJTMJSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575273604 949669856 /nfs/dbraw/zinc/66/98/56/949669856.db2.gz XLVCTNPQDFUICV-FZMZJTMJSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575273605 949670156 /nfs/dbraw/zinc/67/01/56/949670156.db2.gz XLVCTNPQDFUICV-RISCZKNCSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575273605 949670141 /nfs/dbraw/zinc/67/01/41/949670141.db2.gz XLVCTNPQDFUICV-RISCZKNCSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575273606 949670295 /nfs/dbraw/zinc/67/02/95/949670295.db2.gz XLVCTNPQDFUICV-SMDDNHRTSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575273606 949670280 /nfs/dbraw/zinc/67/02/80/949670280.db2.gz XLVCTNPQDFUICV-SMDDNHRTSA-N 0 3 390.448 -0.508 20 0 GBADHN C[C@@]1(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCNC1=O ZINC001575524880 949326759 /nfs/dbraw/zinc/32/67/59/949326759.db2.gz KFPMWRUMDDYERL-GOSISDBHSA-N 0 3 387.444 -0.697 20 0 GBADHN C[C@]1(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCNC1=O ZINC001575524882 949326499 /nfs/dbraw/zinc/32/64/99/949326499.db2.gz KFPMWRUMDDYERL-SFHVURJKSA-N 0 3 387.444 -0.697 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575574821 950030521 /nfs/dbraw/zinc/03/05/21/950030521.db2.gz AJMOGJNIVIIOKT-ACJLOTCBSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575574821 950030499 /nfs/dbraw/zinc/03/04/99/950030499.db2.gz AJMOGJNIVIIOKT-ACJLOTCBSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575574822 950033686 /nfs/dbraw/zinc/03/36/86/950033686.db2.gz AJMOGJNIVIIOKT-FZKQIMNGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575574822 950033666 /nfs/dbraw/zinc/03/36/66/950033666.db2.gz AJMOGJNIVIIOKT-FZKQIMNGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575574823 950032222 /nfs/dbraw/zinc/03/22/22/950032222.db2.gz AJMOGJNIVIIOKT-SCLBCKFNSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575574823 950032202 /nfs/dbraw/zinc/03/22/02/950032202.db2.gz AJMOGJNIVIIOKT-SCLBCKFNSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575574824 950029518 /nfs/dbraw/zinc/02/95/18/950029518.db2.gz AJMOGJNIVIIOKT-UGSOOPFHSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575574824 950029499 /nfs/dbraw/zinc/02/94/99/950029499.db2.gz AJMOGJNIVIIOKT-UGSOOPFHSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCOC1 ZINC001575574825 950031374 /nfs/dbraw/zinc/03/13/74/950031374.db2.gz AJTNKQNXHFMMAJ-CXAGYDPISA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOC1 ZINC001575574825 950031353 /nfs/dbraw/zinc/03/13/53/950031353.db2.gz AJTNKQNXHFMMAJ-CXAGYDPISA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCOC1 ZINC001575574826 950029638 /nfs/dbraw/zinc/02/96/38/950029638.db2.gz AJTNKQNXHFMMAJ-DYVFJYSZSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOC1 ZINC001575574826 950029620 /nfs/dbraw/zinc/02/96/20/950029620.db2.gz AJTNKQNXHFMMAJ-DYVFJYSZSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCOC1 ZINC001575574827 950032963 /nfs/dbraw/zinc/03/29/63/950032963.db2.gz AJTNKQNXHFMMAJ-GUYCJALGSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOC1 ZINC001575574827 950032940 /nfs/dbraw/zinc/03/29/40/950032940.db2.gz AJTNKQNXHFMMAJ-GUYCJALGSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCOC1 ZINC001575574828 950031699 /nfs/dbraw/zinc/03/16/99/950031699.db2.gz AJTNKQNXHFMMAJ-SUMWQHHRSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOC1 ZINC001575574828 950031680 /nfs/dbraw/zinc/03/16/80/950031680.db2.gz AJTNKQNXHFMMAJ-SUMWQHHRSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCNC(=O)C1 ZINC001575575036 950035083 /nfs/dbraw/zinc/03/50/83/950035083.db2.gz CLMKQUUAGRAYJZ-KBXCAEBGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCNC(=O)C1 ZINC001575575036 950035058 /nfs/dbraw/zinc/03/50/58/950035058.db2.gz CLMKQUUAGRAYJZ-KBXCAEBGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCNC(=O)C1 ZINC001575575037 950038482 /nfs/dbraw/zinc/03/84/82/950038482.db2.gz CLMKQUUAGRAYJZ-KDOFPFPSSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCNC(=O)C1 ZINC001575575037 950038456 /nfs/dbraw/zinc/03/84/56/950038456.db2.gz CLMKQUUAGRAYJZ-KDOFPFPSSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCNC(=O)C1 ZINC001575575038 950038242 /nfs/dbraw/zinc/03/82/42/950038242.db2.gz CLMKQUUAGRAYJZ-KSSFIOAISA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCNC(=O)C1 ZINC001575575038 950038224 /nfs/dbraw/zinc/03/82/24/950038224.db2.gz CLMKQUUAGRAYJZ-KSSFIOAISA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCNC(=O)C1 ZINC001575575039 950034274 /nfs/dbraw/zinc/03/42/74/950034274.db2.gz CLMKQUUAGRAYJZ-RDTXWAMCSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCNC(=O)C1 ZINC001575575039 950034253 /nfs/dbraw/zinc/03/42/53/950034253.db2.gz CLMKQUUAGRAYJZ-RDTXWAMCSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCC(=O)NC1 ZINC001575575116 950039740 /nfs/dbraw/zinc/03/97/40/950039740.db2.gz FATTZFDXOSTGKU-KBXCAEBGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC(=O)NC1 ZINC001575575116 950039719 /nfs/dbraw/zinc/03/97/19/950039719.db2.gz FATTZFDXOSTGKU-KBXCAEBGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCC(=O)NC1 ZINC001575575117 950039270 /nfs/dbraw/zinc/03/92/70/950039270.db2.gz FATTZFDXOSTGKU-KDOFPFPSSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC(=O)NC1 ZINC001575575117 950039249 /nfs/dbraw/zinc/03/92/49/950039249.db2.gz FATTZFDXOSTGKU-KDOFPFPSSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCC(=O)NC1 ZINC001575575118 950040907 /nfs/dbraw/zinc/04/09/07/950040907.db2.gz FATTZFDXOSTGKU-KSSFIOAISA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC(=O)NC1 ZINC001575575118 950040884 /nfs/dbraw/zinc/04/08/84/950040884.db2.gz FATTZFDXOSTGKU-KSSFIOAISA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCC(=O)NC1 ZINC001575575119 950042352 /nfs/dbraw/zinc/04/23/52/950042352.db2.gz FATTZFDXOSTGKU-RDTXWAMCSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC(=O)NC1 ZINC001575575119 950042323 /nfs/dbraw/zinc/04/23/23/950042323.db2.gz FATTZFDXOSTGKU-RDTXWAMCSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575575259 950046610 /nfs/dbraw/zinc/04/66/10/950046610.db2.gz HIKFKKUUBADHKA-KBXCAEBGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575575259 950046589 /nfs/dbraw/zinc/04/65/89/950046589.db2.gz HIKFKKUUBADHKA-KBXCAEBGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575575260 950046413 /nfs/dbraw/zinc/04/64/13/950046413.db2.gz HIKFKKUUBADHKA-KDOFPFPSSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575575260 950046390 /nfs/dbraw/zinc/04/63/90/950046390.db2.gz HIKFKKUUBADHKA-KDOFPFPSSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575575261 950045027 /nfs/dbraw/zinc/04/50/27/950045027.db2.gz HIKFKKUUBADHKA-KSSFIOAISA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575575261 950045008 /nfs/dbraw/zinc/04/50/08/950045008.db2.gz HIKFKKUUBADHKA-KSSFIOAISA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575575262 950047688 /nfs/dbraw/zinc/04/76/88/950047688.db2.gz HIKFKKUUBADHKA-RDTXWAMCSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575575262 950047659 /nfs/dbraw/zinc/04/76/59/950047659.db2.gz HIKFKKUUBADHKA-RDTXWAMCSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOC1 ZINC001575575443 950052514 /nfs/dbraw/zinc/05/25/14/950052514.db2.gz JIIDKNBXOPWYNI-PXAZEXFGSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOC1 ZINC001575575444 950051156 /nfs/dbraw/zinc/05/11/56/950051156.db2.gz JIIDKNBXOPWYNI-SJCJKPOMSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOC1 ZINC001575575445 950051728 /nfs/dbraw/zinc/05/17/28/950051728.db2.gz JIIDKNBXOPWYNI-SJKOYZFVSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOC1 ZINC001575575446 950051618 /nfs/dbraw/zinc/05/16/18/950051618.db2.gz JIIDKNBXOPWYNI-YVEFUNNKSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575448 950049462 /nfs/dbraw/zinc/04/94/62/950049462.db2.gz JIORRUXVSAWIDU-ACJLOTCBSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575448 950049439 /nfs/dbraw/zinc/04/94/39/950049439.db2.gz JIORRUXVSAWIDU-ACJLOTCBSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575450 950052833 /nfs/dbraw/zinc/05/28/33/950052833.db2.gz JIORRUXVSAWIDU-FZKQIMNGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575450 950052811 /nfs/dbraw/zinc/05/28/11/950052811.db2.gz JIORRUXVSAWIDU-FZKQIMNGSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575452 950052769 /nfs/dbraw/zinc/05/27/69/950052769.db2.gz JIORRUXVSAWIDU-SCLBCKFNSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575452 950052745 /nfs/dbraw/zinc/05/27/45/950052745.db2.gz JIORRUXVSAWIDU-SCLBCKFNSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575454 950050911 /nfs/dbraw/zinc/05/09/11/950050911.db2.gz JIORRUXVSAWIDU-UGSOOPFHSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575454 950050891 /nfs/dbraw/zinc/05/08/91/950050891.db2.gz JIORRUXVSAWIDU-UGSOOPFHSA-N 0 3 387.444 -0.650 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOC1 ZINC001575575888 950058972 /nfs/dbraw/zinc/05/89/72/950058972.db2.gz MXQAYYZPDKJHMY-PXAZEXFGSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOC1 ZINC001575575888 950058951 /nfs/dbraw/zinc/05/89/51/950058951.db2.gz MXQAYYZPDKJHMY-PXAZEXFGSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOC1 ZINC001575575889 950059716 /nfs/dbraw/zinc/05/97/16/950059716.db2.gz MXQAYYZPDKJHMY-SJCJKPOMSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOC1 ZINC001575575889 950059694 /nfs/dbraw/zinc/05/96/94/950059694.db2.gz MXQAYYZPDKJHMY-SJCJKPOMSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOC1 ZINC001575575890 950060203 /nfs/dbraw/zinc/06/02/03/950060203.db2.gz MXQAYYZPDKJHMY-SJKOYZFVSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOC1 ZINC001575575890 950060180 /nfs/dbraw/zinc/06/01/80/950060180.db2.gz MXQAYYZPDKJHMY-SJKOYZFVSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOC1 ZINC001575575891 950061531 /nfs/dbraw/zinc/06/15/31/950061531.db2.gz MXQAYYZPDKJHMY-YVEFUNNKSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOC1 ZINC001575575891 950061515 /nfs/dbraw/zinc/06/15/15/950061515.db2.gz MXQAYYZPDKJHMY-YVEFUNNKSA-N 0 3 378.408 -0.001 20 0 GBADHN C[C@@]1(C(=O)NCCN2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592114 950280845 /nfs/dbraw/zinc/28/08/45/950280845.db2.gz DEHBCQMVVQOHRG-GOSISDBHSA-N 0 3 386.460 -0.074 20 0 GBADHN C[C@]1(C(=O)NCCN2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592115 950282053 /nfs/dbraw/zinc/28/20/53/950282053.db2.gz DEHBCQMVVQOHRG-SFHVURJKSA-N 0 3 386.460 -0.074 20 0 GBADHN C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900291 950195093 /nfs/dbraw/zinc/19/50/93/950195093.db2.gz DJJLOKPGPUICCM-AAEUAGOBSA-N 0 3 388.432 -0.754 20 0 GBADHN C[C@@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900292 950195002 /nfs/dbraw/zinc/19/50/02/950195002.db2.gz DJJLOKPGPUICCM-DGCLKSJQSA-N 0 3 388.432 -0.754 20 0 GBADHN C[C@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900293 950194303 /nfs/dbraw/zinc/19/43/03/950194303.db2.gz DJJLOKPGPUICCM-WCQYABFASA-N 0 3 388.432 -0.754 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900294 950193426 /nfs/dbraw/zinc/19/34/26/950193426.db2.gz DJJLOKPGPUICCM-YPMHNXCESA-N 0 3 388.432 -0.754 20 0 GBADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901662 950237297 /nfs/dbraw/zinc/23/72/97/950237297.db2.gz PNUQDXRYACICLV-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901663 950239208 /nfs/dbraw/zinc/23/92/08/950239208.db2.gz PNUQDXRYACICLV-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901664 950238782 /nfs/dbraw/zinc/23/87/82/950238782.db2.gz PNUQDXRYACICLV-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901665 950236374 /nfs/dbraw/zinc/23/63/74/950236374.db2.gz PNUQDXRYACICLV-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902257 950256219 /nfs/dbraw/zinc/25/62/19/950256219.db2.gz UCDQSXCYGREBJB-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902258 950256155 /nfs/dbraw/zinc/25/61/55/950256155.db2.gz UCDQSXCYGREBJB-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902259 950255736 /nfs/dbraw/zinc/25/57/36/950255736.db2.gz UCDQSXCYGREBJB-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902260 950256243 /nfs/dbraw/zinc/25/62/43/950256243.db2.gz UCDQSXCYGREBJB-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905387 950296161 /nfs/dbraw/zinc/29/61/61/950296161.db2.gz CCQLVNQZYWYHMT-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905389 950293154 /nfs/dbraw/zinc/29/31/54/950293154.db2.gz CCQLVNQZYWYHMT-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905392 950296589 /nfs/dbraw/zinc/29/65/89/950296589.db2.gz CCQLVNQZYWYHMT-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905393 950295814 /nfs/dbraw/zinc/29/58/14/950295814.db2.gz CCQLVNQZYWYHMT-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906013 950304130 /nfs/dbraw/zinc/30/41/30/950304130.db2.gz FXUKJSIPMFRGSO-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906014 950304196 /nfs/dbraw/zinc/30/41/96/950304196.db2.gz FXUKJSIPMFRGSO-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906015 950304084 /nfs/dbraw/zinc/30/40/84/950304084.db2.gz FXUKJSIPMFRGSO-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906016 950304255 /nfs/dbraw/zinc/30/42/55/950304255.db2.gz FXUKJSIPMFRGSO-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908008 950352592 /nfs/dbraw/zinc/35/25/92/950352592.db2.gz SOCULWWOZOWULM-ABAIWWIYSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908009 950350209 /nfs/dbraw/zinc/35/02/09/950350209.db2.gz SOCULWWOZOWULM-IAQYHMDHSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908010 950351154 /nfs/dbraw/zinc/35/11/54/950351154.db2.gz SOCULWWOZOWULM-NHYWBVRUSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908011 950350250 /nfs/dbraw/zinc/35/02/50/950350250.db2.gz SOCULWWOZOWULM-XHDPSFHLSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909265 950392449 /nfs/dbraw/zinc/39/24/49/950392449.db2.gz YDTLVBMVMUWALJ-NOZJJQNGSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1nnn(C)n1 ZINC001575909265 950392432 /nfs/dbraw/zinc/39/24/32/950392432.db2.gz YDTLVBMVMUWALJ-NOZJJQNGSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909268 950393198 /nfs/dbraw/zinc/39/31/98/950393198.db2.gz YDTLVBMVMUWALJ-RNCFNFMXSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1nnn(C)n1 ZINC001575909268 950393176 /nfs/dbraw/zinc/39/31/76/950393176.db2.gz YDTLVBMVMUWALJ-RNCFNFMXSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909269 950389536 /nfs/dbraw/zinc/38/95/36/950389536.db2.gz YDTLVBMVMUWALJ-TVQRCGJNSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1nnn(C)n1 ZINC001575909269 950389520 /nfs/dbraw/zinc/38/95/20/950389520.db2.gz YDTLVBMVMUWALJ-TVQRCGJNSA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909271 950392517 /nfs/dbraw/zinc/39/25/17/950392517.db2.gz YDTLVBMVMUWALJ-ZANVPECISA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1nnn(C)n1 ZINC001575909271 950392496 /nfs/dbraw/zinc/39/24/96/950392496.db2.gz YDTLVBMVMUWALJ-ZANVPECISA-N 0 3 386.395 -0.078 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909302 950390881 /nfs/dbraw/zinc/39/08/81/950390881.db2.gz YTEQHSQXAWRNAA-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909302 950390857 /nfs/dbraw/zinc/39/08/57/950390857.db2.gz YTEQHSQXAWRNAA-HZMBPMFUSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909303 950390745 /nfs/dbraw/zinc/39/07/45/950390745.db2.gz YTEQHSQXAWRNAA-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909303 950390725 /nfs/dbraw/zinc/39/07/25/950390725.db2.gz YTEQHSQXAWRNAA-IINYFYTJSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909305 950393267 /nfs/dbraw/zinc/39/32/67/950393267.db2.gz YTEQHSQXAWRNAA-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909305 950393246 /nfs/dbraw/zinc/39/32/46/950393246.db2.gz YTEQHSQXAWRNAA-QMTHXVAHSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909306 950393134 /nfs/dbraw/zinc/39/31/34/950393134.db2.gz YTEQHSQXAWRNAA-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909306 950393112 /nfs/dbraw/zinc/39/31/12/950393112.db2.gz YTEQHSQXAWRNAA-YGRLFVJLSA-N 0 3 386.395 -0.229 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910612 950426149 /nfs/dbraw/zinc/42/61/49/950426149.db2.gz MKXVERJPQUEZBG-ABAIWWIYSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910612 950426115 /nfs/dbraw/zinc/42/61/15/950426115.db2.gz MKXVERJPQUEZBG-ABAIWWIYSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910613 950424588 /nfs/dbraw/zinc/42/45/88/950424588.db2.gz MKXVERJPQUEZBG-IAQYHMDHSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910613 950424579 /nfs/dbraw/zinc/42/45/79/950424579.db2.gz MKXVERJPQUEZBG-IAQYHMDHSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910614 950424561 /nfs/dbraw/zinc/42/45/61/950424561.db2.gz MKXVERJPQUEZBG-NHYWBVRUSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910614 950424548 /nfs/dbraw/zinc/42/45/48/950424548.db2.gz MKXVERJPQUEZBG-NHYWBVRUSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910615 950423660 /nfs/dbraw/zinc/42/36/60/950423660.db2.gz MKXVERJPQUEZBG-XHDPSFHLSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910615 950423645 /nfs/dbraw/zinc/42/36/45/950423645.db2.gz MKXVERJPQUEZBG-XHDPSFHLSA-N 0 3 390.469 -0.010 20 0 GBADHN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922172 950645475 /nfs/dbraw/zinc/64/54/75/950645475.db2.gz OWTJWWAHFULHPM-DZGCQCFKSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922178 950644838 /nfs/dbraw/zinc/64/48/38/950644838.db2.gz OWTJWWAHFULHPM-HIFRSBDPSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922187 950645373 /nfs/dbraw/zinc/64/53/73/950645373.db2.gz OWTJWWAHFULHPM-UKRRQHHQSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922195 950645061 /nfs/dbraw/zinc/64/50/61/950645061.db2.gz OWTJWWAHFULHPM-ZFWWWQNUSA-N 0 3 386.460 -0.193 20 0 GBADHN C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576181414 949999918 /nfs/dbraw/zinc/99/99/18/949999918.db2.gz UKGBBOKUKMHLJL-CNXAATOLSA-N 0 3 384.444 -0.134 20 0 GBADHN C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576181414 949999900 /nfs/dbraw/zinc/99/99/00/949999900.db2.gz UKGBBOKUKMHLJL-CNXAATOLSA-N 0 3 384.444 -0.134 20 0 GBADHN C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576181416 950005944 /nfs/dbraw/zinc/00/59/44/950005944.db2.gz UKGBBOKUKMHLJL-KBNOKHGBSA-N 0 3 384.444 -0.134 20 0 GBADHN C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576181416 950005921 /nfs/dbraw/zinc/00/59/21/950005921.db2.gz UKGBBOKUKMHLJL-KBNOKHGBSA-N 0 3 384.444 -0.134 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191062 950183190 /nfs/dbraw/zinc/18/31/90/950183190.db2.gz DJSHONDBYINKBR-CHWSQXEVSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191062 950183182 /nfs/dbraw/zinc/18/31/82/950183182.db2.gz DJSHONDBYINKBR-CHWSQXEVSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191063 950184721 /nfs/dbraw/zinc/18/47/21/950184721.db2.gz DJSHONDBYINKBR-OLZOCXBDSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191063 950184714 /nfs/dbraw/zinc/18/47/14/950184714.db2.gz DJSHONDBYINKBR-OLZOCXBDSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191064 950182552 /nfs/dbraw/zinc/18/25/52/950182552.db2.gz DJSHONDBYINKBR-QWHCGFSZSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191064 950182540 /nfs/dbraw/zinc/18/25/40/950182540.db2.gz DJSHONDBYINKBR-QWHCGFSZSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191065 950185182 /nfs/dbraw/zinc/18/51/82/950185182.db2.gz DJSHONDBYINKBR-STQMWFEESA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191065 950185173 /nfs/dbraw/zinc/18/51/73/950185173.db2.gz DJSHONDBYINKBR-STQMWFEESA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191936 950212544 /nfs/dbraw/zinc/21/25/44/950212544.db2.gz IZYIAJTTYAWFJG-NEPJUHHUSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191936 950212526 /nfs/dbraw/zinc/21/25/26/950212526.db2.gz IZYIAJTTYAWFJG-NEPJUHHUSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191938 950214371 /nfs/dbraw/zinc/21/43/71/950214371.db2.gz IZYIAJTTYAWFJG-NWDGAFQWSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191938 950214362 /nfs/dbraw/zinc/21/43/62/950214362.db2.gz IZYIAJTTYAWFJG-NWDGAFQWSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191941 950213613 /nfs/dbraw/zinc/21/36/13/950213613.db2.gz IZYIAJTTYAWFJG-RYUDHWBXSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191941 950213595 /nfs/dbraw/zinc/21/35/95/950213595.db2.gz IZYIAJTTYAWFJG-RYUDHWBXSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191944 950217754 /nfs/dbraw/zinc/21/77/54/950217754.db2.gz IZYIAJTTYAWFJG-VXGBXAGGSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191944 950217734 /nfs/dbraw/zinc/21/77/34/950217734.db2.gz IZYIAJTTYAWFJG-VXGBXAGGSA-N 0 3 375.437 -0.770 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192875 950270264 /nfs/dbraw/zinc/27/02/64/950270264.db2.gz QFHMKMHTGKTMJI-CHWSQXEVSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192875 950270246 /nfs/dbraw/zinc/27/02/46/950270246.db2.gz QFHMKMHTGKTMJI-CHWSQXEVSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192876 950273146 /nfs/dbraw/zinc/27/31/46/950273146.db2.gz QFHMKMHTGKTMJI-OLZOCXBDSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192876 950273128 /nfs/dbraw/zinc/27/31/28/950273128.db2.gz QFHMKMHTGKTMJI-OLZOCXBDSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192877 950274013 /nfs/dbraw/zinc/27/40/13/950274013.db2.gz QFHMKMHTGKTMJI-QWHCGFSZSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192877 950273996 /nfs/dbraw/zinc/27/39/96/950273996.db2.gz QFHMKMHTGKTMJI-QWHCGFSZSA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192878 950273258 /nfs/dbraw/zinc/27/32/58/950273258.db2.gz QFHMKMHTGKTMJI-STQMWFEESA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576192878 950273245 /nfs/dbraw/zinc/27/32/45/950273245.db2.gz QFHMKMHTGKTMJI-STQMWFEESA-N 0 3 389.464 -0.746 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196430 950361429 /nfs/dbraw/zinc/36/14/29/950361429.db2.gz DHNQFEJJMSGSSK-GFCCVEGCSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196430 950361411 /nfs/dbraw/zinc/36/14/11/950361411.db2.gz DHNQFEJJMSGSSK-GFCCVEGCSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196431 950358949 /nfs/dbraw/zinc/35/89/49/950358949.db2.gz DHNQFEJJMSGSSK-LBPRGKRZSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196431 950358930 /nfs/dbraw/zinc/35/89/30/950358930.db2.gz DHNQFEJJMSGSSK-LBPRGKRZSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576198921 950419917 /nfs/dbraw/zinc/41/99/17/950419917.db2.gz WRZFLTXMOXKZCI-GFCCVEGCSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576198921 950419902 /nfs/dbraw/zinc/41/99/02/950419902.db2.gz WRZFLTXMOXKZCI-GFCCVEGCSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576198922 950419339 /nfs/dbraw/zinc/41/93/39/950419339.db2.gz WRZFLTXMOXKZCI-LBPRGKRZSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576198922 950419326 /nfs/dbraw/zinc/41/93/26/950419326.db2.gz WRZFLTXMOXKZCI-LBPRGKRZSA-N 0 3 375.437 -0.769 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576202901 950439113 /nfs/dbraw/zinc/43/91/13/950439113.db2.gz FESZCNQOJNVYKQ-UBHSHLNASA-N 0 3 384.444 -0.038 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576202901 950439098 /nfs/dbraw/zinc/43/90/98/950439098.db2.gz FESZCNQOJNVYKQ-UBHSHLNASA-N 0 3 384.444 -0.038 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576202902 950441082 /nfs/dbraw/zinc/44/10/82/950441082.db2.gz FESZCNQOJNVYKQ-XBFCOCLRSA-N 0 3 384.444 -0.038 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576202902 950441070 /nfs/dbraw/zinc/44/10/70/950441070.db2.gz FESZCNQOJNVYKQ-XBFCOCLRSA-N 0 3 384.444 -0.038 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576203281 950443403 /nfs/dbraw/zinc/44/34/03/950443403.db2.gz GIAVUTAUTPAPHU-MCIONIFRSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576203281 950443390 /nfs/dbraw/zinc/44/33/90/950443390.db2.gz GIAVUTAUTPAPHU-MCIONIFRSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576203282 950445107 /nfs/dbraw/zinc/44/51/07/950445107.db2.gz GIAVUTAUTPAPHU-MELADBBJSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576203282 950445092 /nfs/dbraw/zinc/44/50/92/950445092.db2.gz GIAVUTAUTPAPHU-MELADBBJSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576204333 950463314 /nfs/dbraw/zinc/46/33/14/950463314.db2.gz OBGDMFAWQVTLKG-CNXAATOLSA-N 0 3 384.444 -0.277 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576204333 950463304 /nfs/dbraw/zinc/46/33/04/950463304.db2.gz OBGDMFAWQVTLKG-CNXAATOLSA-N 0 3 384.444 -0.277 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576204334 950464204 /nfs/dbraw/zinc/46/42/04/950464204.db2.gz OBGDMFAWQVTLKG-KBNOKHGBSA-N 0 3 384.444 -0.277 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576204334 950464197 /nfs/dbraw/zinc/46/41/97/950464197.db2.gz OBGDMFAWQVTLKG-KBNOKHGBSA-N 0 3 384.444 -0.277 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576204780 950479624 /nfs/dbraw/zinc/47/96/24/950479624.db2.gz RJTUWMLWJKELFT-MCIONIFRSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576204780 950479612 /nfs/dbraw/zinc/47/96/12/950479612.db2.gz RJTUWMLWJKELFT-MCIONIFRSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576204781 950477589 /nfs/dbraw/zinc/47/75/89/950477589.db2.gz RJTUWMLWJKELFT-MELADBBJSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576204781 950477571 /nfs/dbraw/zinc/47/75/71/950477571.db2.gz RJTUWMLWJKELFT-MELADBBJSA-N 0 3 383.460 -0.107 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204787 950479533 /nfs/dbraw/zinc/47/95/33/950479533.db2.gz CEDDPAOMNLCGPD-CHWSQXEVSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204787 950479526 /nfs/dbraw/zinc/47/95/26/950479526.db2.gz CEDDPAOMNLCGPD-CHWSQXEVSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204788 950479677 /nfs/dbraw/zinc/47/96/77/950479677.db2.gz CEDDPAOMNLCGPD-OLZOCXBDSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204788 950479669 /nfs/dbraw/zinc/47/96/69/950479669.db2.gz CEDDPAOMNLCGPD-OLZOCXBDSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204789 950478401 /nfs/dbraw/zinc/47/84/01/950478401.db2.gz CEDDPAOMNLCGPD-QWHCGFSZSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204789 950478385 /nfs/dbraw/zinc/47/83/85/950478385.db2.gz CEDDPAOMNLCGPD-QWHCGFSZSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204790 950476632 /nfs/dbraw/zinc/47/66/32/950476632.db2.gz CEDDPAOMNLCGPD-STQMWFEESA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576204790 950476613 /nfs/dbraw/zinc/47/66/13/950476613.db2.gz CEDDPAOMNLCGPD-STQMWFEESA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204853 950477178 /nfs/dbraw/zinc/47/71/78/950477178.db2.gz RSSSIQFFACTTBB-CHWSQXEVSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204853 950477161 /nfs/dbraw/zinc/47/71/61/950477161.db2.gz RSSSIQFFACTTBB-CHWSQXEVSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204855 950484614 /nfs/dbraw/zinc/48/46/14/950484614.db2.gz RSSSIQFFACTTBB-OLZOCXBDSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204855 950484606 /nfs/dbraw/zinc/48/46/06/950484606.db2.gz RSSSIQFFACTTBB-OLZOCXBDSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204857 950482865 /nfs/dbraw/zinc/48/28/65/950482865.db2.gz RSSSIQFFACTTBB-QWHCGFSZSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204857 950482854 /nfs/dbraw/zinc/48/28/54/950482854.db2.gz RSSSIQFFACTTBB-QWHCGFSZSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204859 950483207 /nfs/dbraw/zinc/48/32/07/950483207.db2.gz RSSSIQFFACTTBB-STQMWFEESA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204859 950483185 /nfs/dbraw/zinc/48/31/85/950483185.db2.gz RSSSIQFFACTTBB-STQMWFEESA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204912 950483010 /nfs/dbraw/zinc/48/30/10/950483010.db2.gz SHDXDAZFRMGHOV-CHWSQXEVSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204912 950482995 /nfs/dbraw/zinc/48/29/95/950482995.db2.gz SHDXDAZFRMGHOV-CHWSQXEVSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204914 950484903 /nfs/dbraw/zinc/48/49/03/950484903.db2.gz SHDXDAZFRMGHOV-OLZOCXBDSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204914 950484893 /nfs/dbraw/zinc/48/48/93/950484893.db2.gz SHDXDAZFRMGHOV-OLZOCXBDSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204916 950483509 /nfs/dbraw/zinc/48/35/09/950483509.db2.gz SHDXDAZFRMGHOV-QWHCGFSZSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204916 950483491 /nfs/dbraw/zinc/48/34/91/950483491.db2.gz SHDXDAZFRMGHOV-QWHCGFSZSA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204919 950481949 /nfs/dbraw/zinc/48/19/49/950481949.db2.gz SHDXDAZFRMGHOV-STQMWFEESA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576204919 950481928 /nfs/dbraw/zinc/48/19/28/950481928.db2.gz SHDXDAZFRMGHOV-STQMWFEESA-N 0 3 387.448 -0.362 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576205713 950535733 /nfs/dbraw/zinc/53/57/33/950535733.db2.gz NIXRKBWKDPECIV-SYQHCUMBSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576205713 950535715 /nfs/dbraw/zinc/53/57/15/950535715.db2.gz NIXRKBWKDPECIV-SYQHCUMBSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576205715 950534987 /nfs/dbraw/zinc/53/49/87/950534987.db2.gz NIXRKBWKDPECIV-XDQVBPFNSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576205715 950534974 /nfs/dbraw/zinc/53/49/74/950534974.db2.gz NIXRKBWKDPECIV-XDQVBPFNSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001576205721 950533891 /nfs/dbraw/zinc/53/38/91/950533891.db2.gz NPCBZKQGJVLNOJ-SYQHCUMBSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001576205721 950533871 /nfs/dbraw/zinc/53/38/71/950533871.db2.gz NPCBZKQGJVLNOJ-SYQHCUMBSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001576205723 950533550 /nfs/dbraw/zinc/53/35/50/950533550.db2.gz NPCBZKQGJVLNOJ-XDQVBPFNSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001576205723 950533526 /nfs/dbraw/zinc/53/35/26/950533526.db2.gz NPCBZKQGJVLNOJ-XDQVBPFNSA-N 0 3 383.460 -0.203 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205917 950546922 /nfs/dbraw/zinc/54/69/22/950546922.db2.gz RILMOLVDRIOZGE-CHWSQXEVSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205917 950546899 /nfs/dbraw/zinc/54/68/99/950546899.db2.gz RILMOLVDRIOZGE-CHWSQXEVSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205918 950548248 /nfs/dbraw/zinc/54/82/48/950548248.db2.gz RILMOLVDRIOZGE-OLZOCXBDSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205918 950548227 /nfs/dbraw/zinc/54/82/27/950548227.db2.gz RILMOLVDRIOZGE-OLZOCXBDSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205919 950550499 /nfs/dbraw/zinc/55/04/99/950550499.db2.gz RILMOLVDRIOZGE-QWHCGFSZSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205919 950550479 /nfs/dbraw/zinc/55/04/79/950550479.db2.gz RILMOLVDRIOZGE-QWHCGFSZSA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205920 950547915 /nfs/dbraw/zinc/54/79/15/950547915.db2.gz RILMOLVDRIOZGE-STQMWFEESA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576205920 950547898 /nfs/dbraw/zinc/54/78/98/950547898.db2.gz RILMOLVDRIOZGE-STQMWFEESA-N 0 3 387.448 -0.680 20 0 GBADHN C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230330 950996345 /nfs/dbraw/zinc/99/63/45/950996345.db2.gz BKXBFUVRJSUKPV-BXUZGUMPSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230331 950997789 /nfs/dbraw/zinc/99/77/89/950997789.db2.gz BKXBFUVRJSUKPV-FZMZJTMJSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230332 951004332 /nfs/dbraw/zinc/00/43/32/951004332.db2.gz BKXBFUVRJSUKPV-RISCZKNCSA-N 0 3 384.444 -0.133 20 0 GBADHN C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230333 951001038 /nfs/dbraw/zinc/00/10/38/951001038.db2.gz BKXBFUVRJSUKPV-SMDDNHRTSA-N 0 3 384.444 -0.133 20 0 GBADHN C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)CC2)CC1 ZINC001588870422 962059016 /nfs/dbraw/zinc/05/90/16/962059016.db2.gz JYOCYTHWLTULJN-INIZCTEOSA-N 0 3 380.489 -0.016 20 0 GBADHN C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)CC1 ZINC001588870423 962059178 /nfs/dbraw/zinc/05/91/78/962059178.db2.gz JYOCYTHWLTULJN-MRXNPFEDSA-N 0 3 380.489 -0.016 20 0 GBADHN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC001589621395 987501767 /nfs/dbraw/zinc/50/17/67/987501767.db2.gz WIPGYDXYNLLPGC-UHFFFAOYSA-N 0 3 384.477 -0.778 20 0 GBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)CC1 ZINC001589818508 988272540 /nfs/dbraw/zinc/27/25/40/988272540.db2.gz RCJAPYBELPGATR-KSMMKXTCSA-N 0 3 380.489 -0.030 20 0 GBADHN CC(C)[NH+]1CCC(NC(=O)CNC2(CC(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001591616416 992870112 /nfs/dbraw/zinc/87/01/12/992870112.db2.gz CIMWDXKUJKVRKE-UHFFFAOYSA-N 0 3 389.518 -0.013 20 0 GBADHN CC(C)[NH+]1CCN(CCC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1 ZINC001591630339 992934672 /nfs/dbraw/zinc/93/46/72/992934672.db2.gz ZBQLFYMLTWEMGC-UHFFFAOYSA-N 0 3 383.537 -0.437 20 0 GBADHN CC(C)N1CCN(CCC[N@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])CC1 ZINC001591633287 992934484 /nfs/dbraw/zinc/93/44/84/992934484.db2.gz CFPXDKMPVFLCDR-GJZGRUSLSA-N 0 3 381.477 -0.518 20 0 GBADHN CC(C)N1CCN(CCC[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])CC1 ZINC001591633287 992934477 /nfs/dbraw/zinc/93/44/77/992934477.db2.gz CFPXDKMPVFLCDR-GJZGRUSLSA-N 0 3 381.477 -0.518 20 0 GBADHN C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615968 978578040 /nfs/dbraw/zinc/57/80/40/978578040.db2.gz OSEGOBUWWPNUIO-CRAIPNDOSA-N 0 3 383.493 -0.807 20 0 GBADHN C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615974 978578147 /nfs/dbraw/zinc/57/81/47/978578147.db2.gz OSEGOBUWWPNUIO-MAUKXSAKSA-N 0 3 383.493 -0.807 20 0 GBADHN C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615976 978578029 /nfs/dbraw/zinc/57/80/29/978578029.db2.gz OSEGOBUWWPNUIO-QAPCUYQASA-N 0 3 383.493 -0.807 20 0 GBADHN C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615980 978578162 /nfs/dbraw/zinc/57/81/62/978578162.db2.gz OSEGOBUWWPNUIO-YJBOKZPZSA-N 0 3 383.493 -0.807 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001593682414 953969476 /nfs/dbraw/zinc/96/94/76/953969476.db2.gz UDMPNVGKUACFDG-HNNXBMFYSA-N 0 3 383.493 -0.223 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001593682415 953968907 /nfs/dbraw/zinc/96/89/07/953968907.db2.gz UDMPNVGKUACFDG-OAHLLOKOSA-N 0 3 383.493 -0.223 20 0 GBADHN CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])CC2)CC1 ZINC001596407255 983976943 /nfs/dbraw/zinc/97/69/43/983976943.db2.gz DFBHSYSQCMLZIK-INIZCTEOSA-N 0 3 380.489 -0.016 20 0 GBADHN CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])CC2)CC1 ZINC001596407256 983977801 /nfs/dbraw/zinc/97/78/01/983977801.db2.gz DFBHSYSQCMLZIK-MRXNPFEDSA-N 0 3 380.489 -0.016 20 0 GBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001596415470 984022986 /nfs/dbraw/zinc/02/29/86/984022986.db2.gz LQVPSVXEDHAHAT-QHSZWVADSA-N 0 3 378.473 -0.278 20 0 GBADHN CN(CCO)CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598496367 992368813 /nfs/dbraw/zinc/36/88/13/992368813.db2.gz DMVOKYFUYIVHBI-UHFFFAOYSA-N 0 3 379.461 -0.061 20 0 GBADHN CN1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598583916 993355894 /nfs/dbraw/zinc/35/58/94/993355894.db2.gz KYNYSZPWEWDUDZ-INIZCTEOSA-N 0 3 397.520 -0.559 20 0 GBADHN CN1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H](C(=O)[O-])C1 ZINC001598583917 993355945 /nfs/dbraw/zinc/35/59/45/993355945.db2.gz KYNYSZPWEWDUDZ-MRXNPFEDSA-N 0 3 397.520 -0.559 20 0 GBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)CC1 ZINC001598606165 993662878 /nfs/dbraw/zinc/66/28/78/993662878.db2.gz HLVCTKBNCWLHLG-AWEZNQCLSA-N 0 3 383.493 -0.413 20 0 GBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001598606166 993662646 /nfs/dbraw/zinc/66/26/46/993662646.db2.gz HLVCTKBNCWLHLG-CQSZACIVSA-N 0 3 383.493 -0.413 20 0 GBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)C2 ZINC001598608470 993718621 /nfs/dbraw/zinc/71/86/21/993718621.db2.gz YTPHGYCAUUPDRP-HNSVSWJLSA-N 0 3 395.504 -0.272 20 0 GBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)C2 ZINC001598608470 993718608 /nfs/dbraw/zinc/71/86/08/993718608.db2.gz YTPHGYCAUUPDRP-HNSVSWJLSA-N 0 3 395.504 -0.272 20 0 GBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)C2 ZINC001598608482 993720748 /nfs/dbraw/zinc/72/07/48/993720748.db2.gz YTPHGYCAUUPDRP-WZYMTQMTSA-N 0 3 395.504 -0.272 20 0 GBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)C2 ZINC001598608482 993720740 /nfs/dbraw/zinc/72/07/40/993720740.db2.gz YTPHGYCAUUPDRP-WZYMTQMTSA-N 0 3 395.504 -0.272 20 0 GBADHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835322 988732224 /nfs/dbraw/zinc/73/22/24/988732224.db2.gz BHCYPXOCXHCJAR-LPHOPBHVSA-N 0 3 399.536 -0.171 20 0 GBADHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835333 988733578 /nfs/dbraw/zinc/73/35/78/988733578.db2.gz BHCYPXOCXHCJAR-QFBILLFUSA-N 0 3 399.536 -0.171 20 0 GBADHN C[C@H](NC(=O)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)[O-] ZINC001599896513 984759165 /nfs/dbraw/zinc/75/91/65/984759165.db2.gz KODKHRNVKUQRSP-STQMWFEESA-N 0 3 383.493 -0.178 20 0 GBADHN CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)CC2)CC1 ZINC001603760293 974203018 /nfs/dbraw/zinc/20/30/18/974203018.db2.gz KMOXSTWEYMTSFV-UHFFFAOYSA-N 0 3 380.489 -0.062 20 0 GBADHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)Cn3cnnn3)cc2)CC1 ZINC001628655315 1070790970 /nfs/dbraw/zinc/79/09/70/1070790970.db2.gz HBBRRLKPIYVPLR-CQSZACIVSA-N 0 3 386.460 -0.042 20 0 GBADHN CN1CCN(CCCNC(=O)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001628759993 1070793132 /nfs/dbraw/zinc/79/31/32/1070793132.db2.gz DNXFCONFQDGHSH-UHFFFAOYSA-N 0 3 384.502 -0.143 20 0 GBADHN CN1CCN(CCCNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001628760842 1070793695 /nfs/dbraw/zinc/79/36/95/1070793695.db2.gz QZOFHWDGYSRJJM-UHFFFAOYSA-N 0 3 387.481 -0.361 20 0 GBADHN COCCn1cc(N2C[C@@H](C(=O)NCCCN3CCN(C)CC3)CC2=O)cn1 ZINC001628761055 1070793893 /nfs/dbraw/zinc/79/38/93/1070793893.db2.gz ZNZWEGVXWXNIHU-INIZCTEOSA-N 0 3 392.504 -0.364 20 0 GBADHN COCCn1cc(N2C[C@H](C(=O)NCCCN3CCN(C)CC3)CC2=O)cn1 ZINC001628761056 1070792978 /nfs/dbraw/zinc/79/29/78/1070792978.db2.gz ZNZWEGVXWXNIHU-MRXNPFEDSA-N 0 3 392.504 -0.364 20 0 GBADHN O=C(OCc1ccccc1)N1CC(O)(C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC001628964063 1070798300 /nfs/dbraw/zinc/79/83/00/1070798300.db2.gz AKRLKKGVHLWZRD-INIZCTEOSA-N 0 3 377.441 -0.057 20 0 GBADHN O=C(OCc1ccccc1)N1CC(O)(C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC001628964064 1070798171 /nfs/dbraw/zinc/79/81/71/1070798171.db2.gz AKRLKKGVHLWZRD-MRXNPFEDSA-N 0 3 377.441 -0.057 20 0 GBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)CN1CCCC1 ZINC001628965104 1070797889 /nfs/dbraw/zinc/79/78/89/1070797889.db2.gz ZYYJGNNTROYPQS-OBJOEFQTSA-N 0 3 391.515 -0.651 20 0 GBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC001628965107 1070798539 /nfs/dbraw/zinc/79/85/39/1070798539.db2.gz ZYYJGNNTROYPQS-OUCADQQQSA-N 0 3 391.515 -0.651 20 0 GBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC001628965109 1070798415 /nfs/dbraw/zinc/79/84/15/1070798415.db2.gz ZYYJGNNTROYPQS-SCRDCRAPSA-N 0 3 391.515 -0.651 20 0 GBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)CN1CCCC1 ZINC001628965111 1070797771 /nfs/dbraw/zinc/79/77/71/1070797771.db2.gz ZYYJGNNTROYPQS-SGMGOOAPSA-N 0 3 391.515 -0.651 20 0 GBADHN CN(C)CCn1c2cc(C(=O)NCCS(=O)(=O)N(C)C)ccc2[nH]c1=O ZINC001629003778 1070801041 /nfs/dbraw/zinc/80/10/41/1070801041.db2.gz XEIWKRPERLRLHF-UHFFFAOYSA-N 0 3 383.474 -0.075 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc3[nH]c(CO)nc32)CC1=O ZINC001629136785 1070803691 /nfs/dbraw/zinc/80/36/91/1070803691.db2.gz MDNGAGAZPJRWQP-CYBMUJFWSA-N 0 3 389.456 -0.036 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc3[nH]c(CO)nc32)CC1=O ZINC001629136786 1070805338 /nfs/dbraw/zinc/80/53/38/1070805338.db2.gz MDNGAGAZPJRWQP-ZDUSSCGKSA-N 0 3 389.456 -0.036 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)n(NC(N)=O)c2C)CC1=O ZINC001629140683 1070804686 /nfs/dbraw/zinc/80/46/86/1070804686.db2.gz GOSSMRDIQUQBIZ-AWEZNQCLSA-N 0 3 394.476 -0.364 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)n(NC(N)=O)c2C)CC1=O ZINC001629140684 1070804087 /nfs/dbraw/zinc/80/40/87/1070804087.db2.gz GOSSMRDIQUQBIZ-CQSZACIVSA-N 0 3 394.476 -0.364 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1=O ZINC001629141001 1070805196 /nfs/dbraw/zinc/80/51/96/1070805196.db2.gz NFNHNMGUPXKQIJ-GFCCVEGCSA-N 0 3 381.433 -0.966 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1=O ZINC001629141002 1070804309 /nfs/dbraw/zinc/80/43/09/1070804309.db2.gz NFNHNMGUPXKQIJ-LBPRGKRZSA-N 0 3 381.433 -0.966 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccoc2CC(=O)OC)CC1=O ZINC001629141186 1070806324 /nfs/dbraw/zinc/80/63/24/1070806324.db2.gz PMUCYKPVIRINGT-CYBMUJFWSA-N 0 3 381.429 -0.096 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccoc2CC(=O)OC)CC1=O ZINC001629141187 1070807620 /nfs/dbraw/zinc/80/76/20/1070807620.db2.gz PMUCYKPVIRINGT-ZDUSSCGKSA-N 0 3 381.429 -0.096 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC1=O ZINC001629141198 1070806408 /nfs/dbraw/zinc/80/64/08/1070806408.db2.gz QAPRANZPMIQLBI-CYBMUJFWSA-N 0 3 379.461 -0.740 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC1=O ZINC001629141199 1070805844 /nfs/dbraw/zinc/80/58/44/1070805844.db2.gz QAPRANZPMIQLBI-ZDUSSCGKSA-N 0 3 379.461 -0.740 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2coc3c2C(=O)NCCC3)CC1=O ZINC001629141452 1070806885 /nfs/dbraw/zinc/80/68/85/1070806885.db2.gz VKJBZNKTZFLPIR-CYBMUJFWSA-N 0 3 392.456 -0.136 20 0 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ZINC001635941211 1071060749 /nfs/dbraw/zinc/06/07/49/1071060749.db2.gz KGVHPQXZVFTTBU-DGCLKSJQSA-N 0 3 396.469 -0.958 20 0 GBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001635941212 1071060550 /nfs/dbraw/zinc/06/05/50/1071060550.db2.gz KGVHPQXZVFTTBU-WCQYABFASA-N 0 3 396.469 -0.958 20 0 GBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001635941213 1071060677 /nfs/dbraw/zinc/06/06/77/1071060677.db2.gz KGVHPQXZVFTTBU-YPMHNXCESA-N 0 3 396.469 -0.958 20 0 GBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC(N[C@H]4CCOC4)C3)ccc21 ZINC001635942055 1071060120 /nfs/dbraw/zinc/06/01/20/1071060120.db2.gz PUAIVAORXINXLH-INIZCTEOSA-N 0 3 386.452 -0.085 20 0 GBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC(N[C@@H]4CCOC4)C3)ccc21 ZINC001635942057 1071060586 /nfs/dbraw/zinc/06/05/86/1071060586.db2.gz PUAIVAORXINXLH-MRXNPFEDSA-N 0 3 386.452 -0.085 20 0 GBADHN COC[C@@]1(C(=O)N[C@@H](CO)CN(C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989806 1071063214 /nfs/dbraw/zinc/06/32/14/1071063214.db2.gz PNHVJNYUKPRJAJ-CXAGYDPISA-N 0 3 375.466 -0.322 20 0 GBADHN COC[C@]1(C(=O)N[C@@H](CO)CN(C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989807 1071062816 /nfs/dbraw/zinc/06/28/16/1071062816.db2.gz PNHVJNYUKPRJAJ-DYVFJYSZSA-N 0 3 375.466 -0.322 20 0 GBADHN COC[C@]1(C(=O)N[C@H](CO)CN(C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989808 1071062974 /nfs/dbraw/zinc/06/29/74/1071062974.db2.gz PNHVJNYUKPRJAJ-GUYCJALGSA-N 0 3 375.466 -0.322 20 0 GBADHN COC[C@@]1(C(=O)N[C@H](CO)CN(C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989809 1071063119 /nfs/dbraw/zinc/06/31/19/1071063119.db2.gz PNHVJNYUKPRJAJ-SUMWQHHRSA-N 0 3 375.466 -0.322 20 0 GBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC001636053818 1071064615 /nfs/dbraw/zinc/06/46/15/1071064615.db2.gz GTTYUTHIRSGBQI-CYBMUJFWSA-N 0 3 375.433 -0.526 20 0 GBADHN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCCN1CCO ZINC001636134619 1071067975 /nfs/dbraw/zinc/06/79/75/1071067975.db2.gz HVKLTFRFUCVJPX-BBRMVZONSA-N 0 3 394.447 -0.238 20 0 GBADHN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCCN1CCO ZINC001636134620 1071068278 /nfs/dbraw/zinc/06/82/78/1071068278.db2.gz HVKLTFRFUCVJPX-CJNGLKHVSA-N 0 3 394.447 -0.238 20 0 GBADHN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCCN1CCO ZINC001636134621 1071068111 /nfs/dbraw/zinc/06/81/11/1071068111.db2.gz HVKLTFRFUCVJPX-CZUORRHYSA-N 0 3 394.447 -0.238 20 0 GBADHN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCCN1CCO ZINC001636134622 1071068425 /nfs/dbraw/zinc/06/84/25/1071068425.db2.gz HVKLTFRFUCVJPX-XJKSGUPXSA-N 0 3 394.447 -0.238 20 0 GBADHN CCN1CCN(CCC(=O)N[C@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)CC1 ZINC001636148185 1071069529 /nfs/dbraw/zinc/06/95/29/1071069529.db2.gz DPIZSARCEIAPHB-AWEZNQCLSA-N 0 3 378.477 -0.792 20 0 GBADHN CCN1CCN(CCC(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)CC1 ZINC001636148186 1071068842 /nfs/dbraw/zinc/06/88/42/1071068842.db2.gz DPIZSARCEIAPHB-CQSZACIVSA-N 0 3 378.477 -0.792 20 0 GBADHN COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001636308288 1071075333 /nfs/dbraw/zinc/07/53/33/1071075333.db2.gz SIYIJYXEDUTRRR-ILXRZTDVSA-N 0 3 380.445 -0.124 20 0 GBADHN COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001636308289 1071075985 /nfs/dbraw/zinc/07/59/85/1071075985.db2.gz SIYIJYXEDUTRRR-KFWWJZLASA-N 0 3 380.445 -0.124 20 0 GBADHN COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001636308290 1071076204 /nfs/dbraw/zinc/07/62/04/1071076204.db2.gz SIYIJYXEDUTRRR-KKUMJFAQSA-N 0 3 380.445 -0.124 20 0 GBADHN COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001636308291 1071075617 /nfs/dbraw/zinc/07/56/17/1071075617.db2.gz SIYIJYXEDUTRRR-ZNMIVQPWSA-N 0 3 380.445 -0.124 20 0 GBADHN O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312718 1071075386 /nfs/dbraw/zinc/07/53/86/1071075386.db2.gz JDYADXPVIQGFEI-IPYPFGDCSA-N 0 3 378.433 -0.506 20 0 GBADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312724 1071075483 /nfs/dbraw/zinc/07/54/83/1071075483.db2.gz JDYADXPVIQGFEI-NFAWXSAZSA-N 0 3 378.433 -0.506 20 0 GBADHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312726 1071076150 /nfs/dbraw/zinc/07/61/50/1071076150.db2.gz JDYADXPVIQGFEI-UMVBOHGHSA-N 0 3 378.433 -0.506 20 0 GBADHN O=C(N[C@H]1CCC[C@H]1N1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312727 1071075681 /nfs/dbraw/zinc/07/56/81/1071075681.db2.gz JDYADXPVIQGFEI-VNHYZAJKSA-N 0 3 378.433 -0.506 20 0 GBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC001636341682 1071077680 /nfs/dbraw/zinc/07/76/80/1071077680.db2.gz MWBNCXIQNOYWEK-GDBMZVCRSA-N 0 3 399.513 -0.078 20 0 GBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC001636341683 1071077788 /nfs/dbraw/zinc/07/77/88/1071077788.db2.gz MWBNCXIQNOYWEK-GOEBONIOSA-N 0 3 399.513 -0.078 20 0 GBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC001636341684 1071077716 /nfs/dbraw/zinc/07/77/16/1071077716.db2.gz MWBNCXIQNOYWEK-HOCLYGCPSA-N 0 3 399.513 -0.078 20 0 GBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC001636341685 1071077601 /nfs/dbraw/zinc/07/76/01/1071077601.db2.gz MWBNCXIQNOYWEK-ZBFHGGJFSA-N 0 3 399.513 -0.078 20 0 GBADHN CN1C(=O)CC[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC001636349103 1071079362 /nfs/dbraw/zinc/07/93/62/1071079362.db2.gz SXFIKPSTTOAHFL-CYBMUJFWSA-N 0 3 379.461 -0.351 20 0 GBADHN CN1C(=O)CC[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC001636349104 1071079201 /nfs/dbraw/zinc/07/92/01/1071079201.db2.gz SXFIKPSTTOAHFL-ZDUSSCGKSA-N 0 3 379.461 -0.351 20 0 GBADHN CN1CCN(CC2CN(C(=O)c3nnc(C(C)(C)S(C)(=O)=O)o3)C2)CC1 ZINC001636371790 1071080317 /nfs/dbraw/zinc/08/03/17/1071080317.db2.gz CLLMARJHYDODCO-UHFFFAOYSA-N 0 3 385.490 -0.331 20 0 GBADHN Cc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1S(N)(=O)=O ZINC001636608778 1071092159 /nfs/dbraw/zinc/09/21/59/1071092159.db2.gz ALLBEDWAFVQIOJ-UHFFFAOYSA-N 0 3 382.486 -0.026 20 0 GBADHN O=C(CNC(=O)CNS(=O)(=O)c1cccnc1)NCCN1CCCCC1 ZINC001636608779 1071091811 /nfs/dbraw/zinc/09/18/11/1071091811.db2.gz AMFAELLFLUFMCI-UHFFFAOYSA-N 0 3 383.474 -0.922 20 0 GBADHN Cc1ccn(C[C@](C)(O)C(=O)NCC(=O)NCCN2CCCCC2)c(=O)c1 ZINC001636608832 1071092427 /nfs/dbraw/zinc/09/24/27/1071092427.db2.gz CHROSQHMSBMJPK-IBGZPJMESA-N 0 3 378.473 -0.374 20 0 GBADHN Cc1ccn(C[C@@](C)(O)C(=O)NCC(=O)NCCN2CCCCC2)c(=O)c1 ZINC001636608833 1071091779 /nfs/dbraw/zinc/09/17/79/1071091779.db2.gz CHROSQHMSBMJPK-LJQANCHMSA-N 0 3 378.473 -0.374 20 0 GBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC001636608976 1071092297 /nfs/dbraw/zinc/09/22/97/1071092297.db2.gz DFBWOPNTYJNBLJ-UHFFFAOYSA-N 0 3 398.485 -0.326 20 0 GBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC001636609049 1071091984 /nfs/dbraw/zinc/09/19/84/1071091984.db2.gz HAZMVWNVMUZXMF-GOSISDBHSA-N 0 3 379.461 -0.575 20 0 GBADHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC001636609050 1071092125 /nfs/dbraw/zinc/09/21/25/1071092125.db2.gz HAZMVWNVMUZXMF-SFHVURJKSA-N 0 3 379.461 -0.575 20 0 GBADHN CC1(C)NC(=O)N(CCCC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC001636609214 1071091700 /nfs/dbraw/zinc/09/17/00/1071091700.db2.gz JGXIYXSZJFJOBV-UHFFFAOYSA-N 0 3 381.477 -0.185 20 0 GBADHN O=C(CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCCN1CCCCC1 ZINC001636609234 1071092024 /nfs/dbraw/zinc/09/20/24/1071092024.db2.gz KJLYTPPPTVKTCF-UHFFFAOYSA-N 0 3 395.485 -0.798 20 0 GBADHN NS(=O)(=O)c1ccc(CCC(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC001636609243 1071092412 /nfs/dbraw/zinc/09/24/12/1071092412.db2.gz KWWMVQDTWCCHBP-UHFFFAOYSA-N 0 3 396.513 -0.015 20 0 GBADHN O=C(CNC(=O)CNS(=O)(=O)c1cccs1)NCCN1CCCCC1 ZINC001636609451 1071092319 /nfs/dbraw/zinc/09/23/19/1071092319.db2.gz ONOHMGCLZYYJFC-UHFFFAOYSA-N 0 3 388.515 -0.255 20 0 GBADHN O=C(CNC(=O)Cc1nnc(C2CCOCC2)[nH]1)NCCN1CCCCC1 ZINC001636614184 1071092083 /nfs/dbraw/zinc/09/20/83/1071092083.db2.gz XPHVNQKWNITBKK-UHFFFAOYSA-N 0 3 378.477 -0.041 20 0 GBADHN CN(CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCOCCO ZINC001636642994 1071093049 /nfs/dbraw/zinc/09/30/49/1071093049.db2.gz NRIKLQRJDXMOAJ-AWEZNQCLSA-N 0 3 375.466 -0.321 20 0 GBADHN CN(CCNC(=O)c1nccc2c1cccc2S(N)(=O)=O)CCOCCO ZINC001636644257 1071092990 /nfs/dbraw/zinc/09/29/90/1071092990.db2.gz SQSNRFRUAFLDOQ-UHFFFAOYSA-N 0 3 396.469 -0.447 20 0 GBADHN CN(C)CCn1nccc1NC(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001636715671 1071097668 /nfs/dbraw/zinc/09/76/68/1071097668.db2.gz NVRHBCHCURAGDH-UHFFFAOYSA-N 0 3 377.430 -0.008 20 0 GBADHN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001636784309 1071101103 /nfs/dbraw/zinc/10/11/03/1071101103.db2.gz JXEFLXSVOGZJCK-IBGZPJMESA-N 0 3 390.484 -0.068 20 0 GBADHN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001636784310 1071101214 /nfs/dbraw/zinc/10/12/14/1071101214.db2.gz JXEFLXSVOGZJCK-LJQANCHMSA-N 0 3 390.484 -0.068 20 0 GBADHN CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001636784365 1071101495 /nfs/dbraw/zinc/10/14/95/1071101495.db2.gz NCHRQOCHKIKPMU-UHFFFAOYSA-N 0 3 389.522 -0.943 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001636784388 1071100945 /nfs/dbraw/zinc/10/09/45/1071100945.db2.gz OLKUJPLYYJJZTA-HNNXBMFYSA-N 0 3 379.461 -0.818 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001636784389 1071101250 /nfs/dbraw/zinc/10/12/50/1071101250.db2.gz OLKUJPLYYJJZTA-OAHLLOKOSA-N 0 3 379.461 -0.818 20 0 GBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cn1C ZINC001636882854 1071104631 /nfs/dbraw/zinc/10/46/31/1071104631.db2.gz DOCHMDPPHKDKBP-CABCVRRESA-N 0 3 399.517 -0.545 20 0 GBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cn1C ZINC001636882855 1071104746 /nfs/dbraw/zinc/10/47/46/1071104746.db2.gz DOCHMDPPHKDKBP-GJZGRUSLSA-N 0 3 399.517 -0.545 20 0 GBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cn1C ZINC001636882856 1071104783 /nfs/dbraw/zinc/10/47/83/1071104783.db2.gz DOCHMDPPHKDKBP-HUUCEWRRSA-N 0 3 399.517 -0.545 20 0 GBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cn1C ZINC001636882857 1071104661 /nfs/dbraw/zinc/10/46/61/1071104661.db2.gz DOCHMDPPHKDKBP-LSDHHAIUSA-N 0 3 399.517 -0.545 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001636885078 1071105855 /nfs/dbraw/zinc/10/58/55/1071105855.db2.gz SPYDZOFOMLKDAM-AEGPPILISA-N 0 3 385.490 -0.856 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001636885079 1071105641 /nfs/dbraw/zinc/10/56/41/1071105641.db2.gz SPYDZOFOMLKDAM-CFVMTHIKSA-N 0 3 385.490 -0.856 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001636885080 1071105452 /nfs/dbraw/zinc/10/54/52/1071105452.db2.gz SPYDZOFOMLKDAM-NWANDNLSSA-N 0 3 385.490 -0.856 20 0 GBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001636885081 1071105537 /nfs/dbraw/zinc/10/55/37/1071105537.db2.gz SPYDZOFOMLKDAM-QEJZJMRPSA-N 0 3 385.490 -0.856 20 0 GBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001636885435 1071105510 /nfs/dbraw/zinc/10/55/10/1071105510.db2.gz WXHWHEZSBICYEF-CABCVRRESA-N 0 3 382.486 -0.395 20 0 GBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001636885436 1071106063 /nfs/dbraw/zinc/10/60/63/1071106063.db2.gz WXHWHEZSBICYEF-GJZGRUSLSA-N 0 3 382.486 -0.395 20 0 GBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001636885437 1071105818 /nfs/dbraw/zinc/10/58/18/1071105818.db2.gz WXHWHEZSBICYEF-HUUCEWRRSA-N 0 3 382.486 -0.395 20 0 GBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001636885438 1071105554 /nfs/dbraw/zinc/10/55/54/1071105554.db2.gz WXHWHEZSBICYEF-LSDHHAIUSA-N 0 3 382.486 -0.395 20 0 GBADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001636981499 1071109459 /nfs/dbraw/zinc/10/94/59/1071109459.db2.gz SZCXLZADUHGGTJ-KBPBESRZSA-N 0 3 384.444 -0.155 20 0 GBADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001636981500 1071109201 /nfs/dbraw/zinc/10/92/01/1071109201.db2.gz SZCXLZADUHGGTJ-KGLIPLIRSA-N 0 3 384.444 -0.155 20 0 GBADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001636981501 1071109307 /nfs/dbraw/zinc/10/93/07/1071109307.db2.gz SZCXLZADUHGGTJ-UONOGXRCSA-N 0 3 384.444 -0.155 20 0 GBADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001636981502 1071109473 /nfs/dbraw/zinc/10/94/73/1071109473.db2.gz SZCXLZADUHGGTJ-ZIAGYGMSSA-N 0 3 384.444 -0.155 20 0 GBADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)ccc1OC ZINC001637025874 1071110328 /nfs/dbraw/zinc/11/03/28/1071110328.db2.gz SNZKLLHSSVIUIB-UONOGXRCSA-N 0 3 383.470 -0.116 20 0 GBADHN COCCOCCc1ncc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)[nH]1 ZINC001637087228 1071114712 /nfs/dbraw/zinc/11/47/12/1071114712.db2.gz MNQYDZAOXLNDGK-UHFFFAOYSA-N 0 3 396.488 -0.086 20 0 GBADHN CN1CC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)C[C@@H]21 ZINC001637115756 1071116134 /nfs/dbraw/zinc/11/61/34/1071116134.db2.gz PLFJPMFBAAMXKU-DYVFJYSZSA-N 0 3 394.497 -0.053 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001637115913 1071115985 /nfs/dbraw/zinc/11/59/85/1071115985.db2.gz WZTKUKDHVFVSJG-CVEARBPZSA-N 0 3 380.489 -0.088 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001637115914 1071116016 /nfs/dbraw/zinc/11/60/16/1071116016.db2.gz WZTKUKDHVFVSJG-HOTGVXAUSA-N 0 3 380.489 -0.088 20 0 GBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001637115915 1071115951 /nfs/dbraw/zinc/11/59/51/1071115951.db2.gz WZTKUKDHVFVSJG-HZPDHXFCSA-N 0 3 380.489 -0.088 20 0 GBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001637115916 1071115966 /nfs/dbraw/zinc/11/59/66/1071115966.db2.gz WZTKUKDHVFVSJG-JKSUJKDBSA-N 0 3 380.489 -0.088 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)CC1=O ZINC001637137490 1071117103 /nfs/dbraw/zinc/11/71/03/1071117103.db2.gz AEQVDJAPFSTNIR-CYBMUJFWSA-N 0 3 390.444 -0.016 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)CC1=O ZINC001637137491 1071117279 /nfs/dbraw/zinc/11/72/79/1071117279.db2.gz AEQVDJAPFSTNIR-ZDUSSCGKSA-N 0 3 390.444 -0.016 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2)CC1=O ZINC001637139741 1071116993 /nfs/dbraw/zinc/11/69/93/1071116993.db2.gz RUFIOPROMMIZRR-HNNXBMFYSA-N 0 3 392.456 -0.071 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)CC1=O ZINC001637139742 1071116843 /nfs/dbraw/zinc/11/68/43/1071116843.db2.gz RUFIOPROMMIZRR-OAHLLOKOSA-N 0 3 392.456 -0.071 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140196 1071116973 /nfs/dbraw/zinc/11/69/73/1071116973.db2.gz ZOICXXWOINOTSG-CXAGYDPISA-N 0 3 393.440 -0.173 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140197 1071117518 /nfs/dbraw/zinc/11/75/18/1071117518.db2.gz ZOICXXWOINOTSG-DYVFJYSZSA-N 0 3 393.440 -0.173 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140198 1071116866 /nfs/dbraw/zinc/11/68/66/1071116866.db2.gz ZOICXXWOINOTSG-GUYCJALGSA-N 0 3 393.440 -0.173 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140199 1071117504 /nfs/dbraw/zinc/11/75/04/1071117504.db2.gz ZOICXXWOINOTSG-SUMWQHHRSA-N 0 3 393.440 -0.173 20 0 GBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC001637313598 1071123745 /nfs/dbraw/zinc/12/37/45/1071123745.db2.gz DLYLJOVIIVLFRM-KBXCAEBGSA-N 0 3 396.488 -0.435 20 0 GBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CCCN1CCCO ZINC001637313599 1071123797 /nfs/dbraw/zinc/12/37/97/1071123797.db2.gz DLYLJOVIIVLFRM-KDOFPFPSSA-N 0 3 396.488 -0.435 20 0 GBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC001637313600 1071125294 /nfs/dbraw/zinc/12/52/94/1071125294.db2.gz DLYLJOVIIVLFRM-KSSFIOAISA-N 0 3 396.488 -0.435 20 0 GBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CCCN1CCCO ZINC001637313601 1071125140 /nfs/dbraw/zinc/12/51/40/1071125140.db2.gz DLYLJOVIIVLFRM-RDTXWAMCSA-N 0 3 396.488 -0.435 20 0 GBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC001637314630 1071124952 /nfs/dbraw/zinc/12/49/52/1071124952.db2.gz UIGIPYAKNOHGDD-GDBMZVCRSA-N 0 3 399.513 -0.078 20 0 GBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC001637314631 1071124862 /nfs/dbraw/zinc/12/48/62/1071124862.db2.gz UIGIPYAKNOHGDD-GOEBONIOSA-N 0 3 399.513 -0.078 20 0 GBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC001637314632 1071124818 /nfs/dbraw/zinc/12/48/18/1071124818.db2.gz UIGIPYAKNOHGDD-HOCLYGCPSA-N 0 3 399.513 -0.078 20 0 GBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC001637314633 1071125035 /nfs/dbraw/zinc/12/50/35/1071125035.db2.gz UIGIPYAKNOHGDD-ZBFHGGJFSA-N 0 3 399.513 -0.078 20 0 GBADHN CNC(=O)CN(CC(=O)NC)C(=O)Cc1csc(SCCN(C)C)n1 ZINC001637375816 1071127454 /nfs/dbraw/zinc/12/74/54/1071127454.db2.gz XKBVMMRQBSKJAP-UHFFFAOYSA-N 0 3 387.531 -0.340 20 0 GBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001637443830 1071130236 /nfs/dbraw/zinc/13/02/36/1071130236.db2.gz BCSYJBOIFNLNIA-KBPBESRZSA-N 0 3 384.477 -0.194 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(=O)N=S(C)(C)=O)CC1 ZINC001637489126 1071132608 /nfs/dbraw/zinc/13/26/08/1071132608.db2.gz BKACVRCYOYHMRR-UHFFFAOYSA-N 0 3 375.495 -0.564 20 0 GBADHN CN(C)CCN1CCN(C(=O)NCc2nnc(C3CCOCC3)[nH]2)CC1=O ZINC001637553801 1071135304 /nfs/dbraw/zinc/13/53/04/1071135304.db2.gz YCFBYQCFRVSHHS-UHFFFAOYSA-N 0 3 379.465 -0.386 20 0 GBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001637723444 1071142457 /nfs/dbraw/zinc/14/24/57/1071142457.db2.gz FUHVOIRATMUOPG-CYBMUJFWSA-N 0 3 387.444 -0.227 20 0 GBADHN CN(C)CCN1C[C@H](C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)CC1=O ZINC001637730978 1071144185 /nfs/dbraw/zinc/14/41/85/1071144185.db2.gz HWWQMLHTZYPFNO-GFCCVEGCSA-N 0 3 379.461 -0.270 20 0 GBADHN CN(C)CCN1C[C@@H](C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)CC1=O ZINC001637730979 1071143607 /nfs/dbraw/zinc/14/36/07/1071143607.db2.gz HWWQMLHTZYPFNO-LBPRGKRZSA-N 0 3 379.461 -0.270 20 0 GBADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1C1CCCC1 ZINC001638027984 1071155988 /nfs/dbraw/zinc/15/59/88/1071155988.db2.gz OKTIAKZNPWBMDR-GFCCVEGCSA-N 0 3 397.501 -0.133 20 0 GBADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1C1CCCC1 ZINC001638027986 1071156124 /nfs/dbraw/zinc/15/61/24/1071156124.db2.gz OKTIAKZNPWBMDR-LBPRGKRZSA-N 0 3 397.501 -0.133 20 0 GBADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1nnc2n1CCNC2=O ZINC001638034393 1071157239 /nfs/dbraw/zinc/15/72/39/1071157239.db2.gz XLGHWTIEAXYBKJ-CYBMUJFWSA-N 0 3 391.476 -0.194 20 0 GBADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NCc1nnc2n1CCNC2=O ZINC001638034395 1071157387 /nfs/dbraw/zinc/15/73/87/1071157387.db2.gz XLGHWTIEAXYBKJ-ZDUSSCGKSA-N 0 3 391.476 -0.194 20 0 GBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCC2)c1 ZINC001638118406 1071159277 /nfs/dbraw/zinc/15/92/77/1071159277.db2.gz IGJPDPTWPRMKRA-HNNXBMFYSA-N 0 3 383.470 -0.260 20 0 GBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC001638118407 1071159363 /nfs/dbraw/zinc/15/93/63/1071159363.db2.gz IGJPDPTWPRMKRA-OAHLLOKOSA-N 0 3 383.470 -0.260 20 0 GBADHN COc1c(F)cc(CC(=O)N[C@@H](CO)CN2CCCC2)cc1S(N)(=O)=O ZINC001638118875 1071159097 /nfs/dbraw/zinc/15/90/97/1071159097.db2.gz ZIERLXPAKBVZFR-GFCCVEGCSA-N 0 3 389.449 -0.403 20 0 GBADHN COc1c(F)cc(CC(=O)N[C@H](CO)CN2CCCC2)cc1S(N)(=O)=O ZINC001638118876 1071159418 /nfs/dbraw/zinc/15/94/18/1071159418.db2.gz ZIERLXPAKBVZFR-LBPRGKRZSA-N 0 3 389.449 -0.403 20 0 GBADHN O=C(CC1(N2CCOCC2)CCCC1)NCCc1nnc2n1CCNC2=O ZINC001638229513 1071163081 /nfs/dbraw/zinc/16/30/81/1071163081.db2.gz BCHGQIDANSGOTL-UHFFFAOYSA-N 0 3 376.461 -0.285 20 0 GBADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCN(C)CCO)CC1 ZINC001638253113 1071167253 /nfs/dbraw/zinc/16/72/53/1071167253.db2.gz MXPPVANVOJRAGG-UHFFFAOYSA-N 0 3 388.490 -0.268 20 0 GBADHN CN(CCO)CCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001638257021 1071167303 /nfs/dbraw/zinc/16/73/03/1071167303.db2.gz CVQQICBPZXJNPO-UHFFFAOYSA-N 0 3 391.515 -0.453 20 0 GBADHN CN(CCO)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC001638257119 1071167103 /nfs/dbraw/zinc/16/71/03/1071167103.db2.gz IKWBBYHCYWELHJ-UHFFFAOYSA-N 0 3 380.264 -0.250 20 0 GBADHN CN(CCO)CCNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001638257535 1071167226 /nfs/dbraw/zinc/16/72/26/1071167226.db2.gz XMXCPIGTYGJLKD-UHFFFAOYSA-N 0 3 385.486 -0.514 20 0 GBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)nc2)CC1=O ZINC001638309016 1071168080 /nfs/dbraw/zinc/16/80/80/1071168080.db2.gz NVIPDWKTTPGPER-AWEZNQCLSA-N 0 3 398.485 -0.606 20 0 GBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(S(C)(=O)=O)nc2)CC1=O ZINC001638309017 1071167920 /nfs/dbraw/zinc/16/79/20/1071167920.db2.gz NVIPDWKTTPGPER-CQSZACIVSA-N 0 3 398.485 -0.606 20 0 GBADHN CN1CC[C@](O)(CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001638392840 1071170984 /nfs/dbraw/zinc/17/09/84/1071170984.db2.gz PFNRMXIPXBUWDO-HNNXBMFYSA-N 0 3 376.523 -0.007 20 0 GBADHN CN1CC[C@@](O)(CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001638392841 1071170816 /nfs/dbraw/zinc/17/08/16/1071170816.db2.gz PFNRMXIPXBUWDO-OAHLLOKOSA-N 0 3 376.523 -0.007 20 0 GBADHN COC1CCN(CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001638473820 1071173984 /nfs/dbraw/zinc/17/39/84/1071173984.db2.gz CSEWXDKTQFQAEP-UHFFFAOYSA-N 0 3 377.449 -0.620 20 0 GBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001638501075 1071176549 /nfs/dbraw/zinc/17/65/49/1071176549.db2.gz ANHREGZLQRIAKN-GFCCVEGCSA-N 0 3 375.433 -0.188 20 0 GBADHN O=C(NCc1nnc2c(=O)[nH]ccn12)N1CCN(CC2CCOCC2)CC1 ZINC001638501082 1071176177 /nfs/dbraw/zinc/17/61/77/1071176177.db2.gz AWNUJCPQGWAIMS-UHFFFAOYSA-N 0 3 375.433 -0.329 20 0 GBADHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)NC(=O)Cn2cnnn2)c1 ZINC001638582160 1071181018 /nfs/dbraw/zinc/18/10/18/1071181018.db2.gz PUMDMQFQBUXHDB-CQSZACIVSA-N 0 3 389.460 -0.223 20 0 GBADHN O=C(NC[C@@H]1CCN1C1CCOCC1)NCC1(O)CCS(=O)(=O)CC1 ZINC001638655263 1071183205 /nfs/dbraw/zinc/18/32/05/1071183205.db2.gz JXXAIOACOVSLCJ-AWEZNQCLSA-N 0 3 375.491 -0.521 20 0 GBADHN O=C(NC[C@H]1CCN1C1CCOCC1)NCC1(O)CCS(=O)(=O)CC1 ZINC001638655264 1071182701 /nfs/dbraw/zinc/18/27/01/1071182701.db2.gz JXXAIOACOVSLCJ-CQSZACIVSA-N 0 3 375.491 -0.521 20 0 GBADHN CCOC(=O)N1C[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)[C@@H](CO)C1 ZINC001638655486 1071183266 /nfs/dbraw/zinc/18/32/66/1071183266.db2.gz PENSXHNYFBXYME-BMFZPTHFSA-N 0 3 384.477 -0.012 20 0 GBADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001638655487 1071182975 /nfs/dbraw/zinc/18/29/75/1071182975.db2.gz PENSXHNYFBXYME-FVQBIDKESA-N 0 3 384.477 -0.012 20 0 GBADHN CCOC(=O)N1C[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)[C@@H](CO)C1 ZINC001638655488 1071182909 /nfs/dbraw/zinc/18/29/09/1071182909.db2.gz PENSXHNYFBXYME-KBMXLJTQSA-N 0 3 384.477 -0.012 20 0 GBADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001638655489 1071183171 /nfs/dbraw/zinc/18/31/71/1071183171.db2.gz PENSXHNYFBXYME-VNQPRFMTSA-N 0 3 384.477 -0.012 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001638804811 1071189642 /nfs/dbraw/zinc/18/96/42/1071189642.db2.gz ZLPUBQLWCBWASZ-GFCCVEGCSA-N 0 3 386.449 -0.318 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001638804812 1071189737 /nfs/dbraw/zinc/18/97/37/1071189737.db2.gz ZLPUBQLWCBWASZ-LBPRGKRZSA-N 0 3 386.449 -0.318 20 0 GBADHN COc1cc(N)c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1S(C)(=O)=O ZINC001638810825 1071189698 /nfs/dbraw/zinc/18/96/98/1071189698.db2.gz PPUATNJBDYUGLO-LLVKDONJSA-N 0 3 398.485 -0.127 20 0 GBADHN COc1cc(N)c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1S(C)(=O)=O ZINC001638810826 1071189830 /nfs/dbraw/zinc/18/98/30/1071189830.db2.gz PPUATNJBDYUGLO-NSHDSACASA-N 0 3 398.485 -0.127 20 0 GBADHN CN1CCN(CCC(C)(C)NC(=O)c2nc3ncc(CCO)cn3n2)CC1 ZINC001638844871 1071190509 /nfs/dbraw/zinc/19/05/09/1071190509.db2.gz QUMOKAWSFOMVFO-UHFFFAOYSA-N 0 3 375.477 -0.195 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 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GBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001642912508 1071314694 /nfs/dbraw/zinc/31/46/94/1071314694.db2.gz IBCMOWSNIVGBER-QGZVFWFLSA-N 0 3 379.505 -0.648 20 0 GBADHN CC(C)N1CCN(CCCC(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)CC1 ZINC001643050844 1071320219 /nfs/dbraw/zinc/32/02/19/1071320219.db2.gz JUWOSMNUWVEMEI-UHFFFAOYSA-N 0 3 388.534 -0.659 20 0 GBADHN CCNC(=O)C(C)(C)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643333048 1071330878 /nfs/dbraw/zinc/33/08/78/1071330878.db2.gz WALORYYZXXYUAV-UHFFFAOYSA-N 0 3 384.502 -0.113 20 0 GBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC001643345295 1071330335 /nfs/dbraw/zinc/33/03/35/1071330335.db2.gz NACZYUNAQQWIRS-LBPRGKRZSA-N 0 3 388.490 -0.486 20 0 GBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC001643345295 1071330321 /nfs/dbraw/zinc/33/03/21/1071330321.db2.gz NACZYUNAQQWIRS-LBPRGKRZSA-N 0 3 388.490 -0.486 20 0 GBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](CO)[C@H]1CCCOC1)C2=O ZINC001643420958 1071333563 /nfs/dbraw/zinc/33/35/63/1071333563.db2.gz AKVJKOVAAIDARA-HPGRBHQUSA-N 0 3 382.461 -0.105 20 0 GBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](CO)[C@@H]1CCCOC1)C2=O ZINC001643420959 1071334025 /nfs/dbraw/zinc/33/40/25/1071334025.db2.gz AKVJKOVAAIDARA-NTXUUIFSSA-N 0 3 382.461 -0.105 20 0 GBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](CO)[C@@H]1CCCOC1)C2=O ZINC001643420960 1071335176 /nfs/dbraw/zinc/33/51/76/1071335176.db2.gz AKVJKOVAAIDARA-OOWFEOPPSA-N 0 3 382.461 -0.105 20 0 GBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](CO)[C@H]1CCCOC1)C2=O ZINC001643420961 1071335002 /nfs/dbraw/zinc/33/50/02/1071335002.db2.gz AKVJKOVAAIDARA-RYTBJUFESA-N 0 3 382.461 -0.105 20 0 GBADHN CN1CCN(c2ccnc(NC(=O)C3CCN(S(N)(=O)=O)CC3)c2)CC1 ZINC001643434789 1071335649 /nfs/dbraw/zinc/33/56/49/1071335649.db2.gz IJOHXEDKOSCRFZ-UHFFFAOYSA-N 0 3 382.490 -0.313 20 0 GBADHN CN1CCN(c2ccnc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC001643435825 1071334810 /nfs/dbraw/zinc/33/48/10/1071334810.db2.gz XPTGIFSPDFUOSG-CYBMUJFWSA-N 0 3 382.490 -0.313 20 0 GBADHN CN1CCN(c2ccnc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC001643435826 1071335443 /nfs/dbraw/zinc/33/54/43/1071335443.db2.gz XPTGIFSPDFUOSG-ZDUSSCGKSA-N 0 3 382.490 -0.313 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001643480103 1071336753 /nfs/dbraw/zinc/33/67/53/1071336753.db2.gz VACOUEXEDLNFMI-GFCCVEGCSA-N 0 3 384.458 -0.709 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001643480104 1071336466 /nfs/dbraw/zinc/33/64/66/1071336466.db2.gz VACOUEXEDLNFMI-LBPRGKRZSA-N 0 3 384.458 -0.709 20 0 GBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001643480446 1071336495 /nfs/dbraw/zinc/33/64/95/1071336495.db2.gz ZLTCTOZLYVSBSN-GFCCVEGCSA-N 0 3 380.449 -0.188 20 0 GBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001643480447 1071336635 /nfs/dbraw/zinc/33/66/35/1071336635.db2.gz ZLTCTOZLYVSBSN-LBPRGKRZSA-N 0 3 380.449 -0.188 20 0 GBADHN CCn1c(=O)[nH]c2cc(C(=O)NCCN(C)CCOCCO)ccc2c1=O ZINC001643500400 1071338954 /nfs/dbraw/zinc/33/89/54/1071338954.db2.gz MNDCYXQNUXPOHX-UHFFFAOYSA-N 0 3 378.429 -0.208 20 0 GBADHN CNC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001643501041 1071338695 /nfs/dbraw/zinc/33/86/95/1071338695.db2.gz BOWJZZNGRJRUAF-CYBMUJFWSA-N 0 3 386.460 -0.920 20 0 GBADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001643501042 1071339016 /nfs/dbraw/zinc/33/90/16/1071339016.db2.gz BOWJZZNGRJRUAF-ZDUSSCGKSA-N 0 3 386.460 -0.920 20 0 GBADHN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608026 1071342206 /nfs/dbraw/zinc/34/22/06/1071342206.db2.gz XXOBSDGGRSBWDM-DVOMOZLQSA-N 0 3 396.513 -0.033 20 0 GBADHN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608027 1071342028 /nfs/dbraw/zinc/34/20/28/1071342028.db2.gz XXOBSDGGRSBWDM-IOASZLSFSA-N 0 3 396.513 -0.033 20 0 GBADHN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608028 1071342645 /nfs/dbraw/zinc/34/26/45/1071342645.db2.gz XXOBSDGGRSBWDM-WWGRRREGSA-N 0 3 396.513 -0.033 20 0 GBADHN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608029 1071342131 /nfs/dbraw/zinc/34/21/31/1071342131.db2.gz XXOBSDGGRSBWDM-XJKCOSOUSA-N 0 3 396.513 -0.033 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC001643618223 1071341879 /nfs/dbraw/zinc/34/18/79/1071341879.db2.gz KSPYZADDQZYGTC-UHFFFAOYSA-N 0 3 379.461 -0.711 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC001643619049 1071342713 /nfs/dbraw/zinc/34/27/13/1071342713.db2.gz UWSKNBCQRGASCE-UHFFFAOYSA-N 0 3 395.485 -0.325 20 0 GBADHN CN(C)CCn1c2cc(C(=O)NCc3nnc4n3CCNC4=O)ccc2[nH]c1=O ZINC001643667798 1071342953 /nfs/dbraw/zinc/34/29/53/1071342953.db2.gz AITOFAKQSAXWDG-UHFFFAOYSA-N 0 3 398.427 -0.432 20 0 GBADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(CO)COCCN3)cc21 ZINC001643701619 1071344413 /nfs/dbraw/zinc/34/44/13/1071344413.db2.gz SEZYLMXZAKNHHT-GOSISDBHSA-N 0 3 377.445 -0.616 20 0 GBADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(CO)COCCN3)cc21 ZINC001643701620 1071344496 /nfs/dbraw/zinc/34/44/96/1071344496.db2.gz SEZYLMXZAKNHHT-SFHVURJKSA-N 0 3 377.445 -0.616 20 0 GBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1 ZINC001643803933 1071348119 /nfs/dbraw/zinc/34/81/19/1071348119.db2.gz XDVAHUCICFYQLZ-QWHCGFSZSA-N 0 3 386.474 -0.780 20 0 GBADHN CN1CCN(C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)CC1 ZINC001643817897 1071350762 /nfs/dbraw/zinc/35/07/62/1071350762.db2.gz BBZHDUKONDYGCL-UHFFFAOYSA-N 0 3 384.506 -0.841 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818518 1071350342 /nfs/dbraw/zinc/35/03/42/1071350342.db2.gz SVRFHGGOJJDEHS-CYZMBNFOSA-N 0 3 380.420 -0.300 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F ZINC001643818519 1071349380 /nfs/dbraw/zinc/34/93/80/1071349380.db2.gz SVRFHGGOJJDEHS-DRZSPHRISA-N 0 3 380.420 -0.300 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@@H](C)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818520 1071349225 /nfs/dbraw/zinc/34/92/25/1071349225.db2.gz SVRFHGGOJJDEHS-RTXFEEFZSA-N 0 3 380.420 -0.300 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818522 1071349491 /nfs/dbraw/zinc/34/94/91/1071349491.db2.gz SVRFHGGOJJDEHS-WCFLWFBJSA-N 0 3 380.420 -0.300 20 0 GBADHN CN(C)CCn1c2cc(C(=O)NC3(CS(C)(=O)=O)COC3)ccc2[nH]c1=O ZINC001643893330 1071352410 /nfs/dbraw/zinc/35/24/10/1071352410.db2.gz PNSWJJUYIWAMCO-UHFFFAOYSA-N 0 3 396.469 -0.153 20 0 GBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920763 1071355012 /nfs/dbraw/zinc/35/50/12/1071355012.db2.gz YNDKIERLNQHWLG-KBPBESRZSA-N 0 3 386.460 -0.551 20 0 GBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920764 1071355211 /nfs/dbraw/zinc/35/52/11/1071355211.db2.gz YNDKIERLNQHWLG-KGLIPLIRSA-N 0 3 386.460 -0.551 20 0 GBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920765 1071355679 /nfs/dbraw/zinc/35/56/79/1071355679.db2.gz YNDKIERLNQHWLG-UONOGXRCSA-N 0 3 386.460 -0.551 20 0 GBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920766 1071355352 /nfs/dbraw/zinc/35/53/52/1071355352.db2.gz YNDKIERLNQHWLG-ZIAGYGMSSA-N 0 3 386.460 -0.551 20 0 GBADHN CN1CCC(N(CCO)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC001643942547 1071356510 /nfs/dbraw/zinc/35/65/10/1071356510.db2.gz BHEAWPWCXGXVAL-UHFFFAOYSA-N 0 3 375.429 -0.839 20 0 GBADHN C[C@]12CN(CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001644116863 1071361384 /nfs/dbraw/zinc/36/13/84/1071361384.db2.gz QSTVGPXCOFFMJA-KDURUIRLSA-N 0 3 388.424 -0.849 20 0 GBADHN C[C@@]12CN(CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001644116872 1071361321 /nfs/dbraw/zinc/36/13/21/1071361321.db2.gz QSTVGPXCOFFMJA-OALUTQOASA-N 0 3 388.424 -0.849 20 0 GBADHN C[C@]12CN(CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@]1(C)C(=O)NC2=O ZINC001644116875 1071361610 /nfs/dbraw/zinc/36/16/10/1071361610.db2.gz QSTVGPXCOFFMJA-RTBURBONSA-N 0 3 388.424 -0.849 20 0 GBADHN O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001644148912 1071362790 /nfs/dbraw/zinc/36/27/90/1071362790.db2.gz NUOIWHUCXZRJFI-FPMFFAJLSA-N 0 3 385.511 -0.135 20 0 GBADHN O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001644148913 1071362337 /nfs/dbraw/zinc/36/23/37/1071362337.db2.gz NUOIWHUCXZRJFI-KWCYVHTRSA-N 0 3 385.511 -0.135 20 0 GBADHN CN1CCn2ncc(C(=O)N[C@@H]3CCC[C@@H]3N3CCC(O)CC3)c2S1(=O)=O ZINC001644150268 1071363658 /nfs/dbraw/zinc/36/36/58/1071363658.db2.gz UHVSIENKTFNNIS-CABCVRRESA-N 0 3 397.501 -0.375 20 0 GBADHN CN1CCn2ncc(C(=O)N[C@H]3CCC[C@@H]3N3CCC(O)CC3)c2S1(=O)=O ZINC001644150272 1071363621 /nfs/dbraw/zinc/36/36/21/1071363621.db2.gz UHVSIENKTFNNIS-GJZGRUSLSA-N 0 3 397.501 -0.375 20 0 GBADHN CN1CCn2ncc(C(=O)N[C@@H]3CCC[C@H]3N3CCC(O)CC3)c2S1(=O)=O ZINC001644150273 1071363678 /nfs/dbraw/zinc/36/36/78/1071363678.db2.gz UHVSIENKTFNNIS-HUUCEWRRSA-N 0 3 397.501 -0.375 20 0 GBADHN CN1CCn2ncc(C(=O)N[C@H]3CCC[C@H]3N3CCC(O)CC3)c2S1(=O)=O ZINC001644150274 1071363325 /nfs/dbraw/zinc/36/33/25/1071363325.db2.gz UHVSIENKTFNNIS-LSDHHAIUSA-N 0 3 397.501 -0.375 20 0 GBADHN CN(C)S(=O)(=O)CCCN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001644333633 1071372402 /nfs/dbraw/zinc/37/24/02/1071372402.db2.gz GEKICFCHEUPJCV-UHFFFAOYSA-N 0 3 388.534 -0.296 20 0 GBADHN CN(CCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)CCOCCO ZINC001644412333 1071374478 /nfs/dbraw/zinc/37/44/78/1071374478.db2.gz LALCDYXMZALVGA-SJORKVTESA-N 0 3 380.445 -0.963 20 0 GBADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644422114 1071375901 /nfs/dbraw/zinc/37/59/01/1071375901.db2.gz TUZITVLJDYPHSD-ACLQVGRQSA-N 0 3 391.515 -0.163 20 0 GBADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644422115 1071376411 /nfs/dbraw/zinc/37/64/11/1071376411.db2.gz TUZITVLJDYPHSD-QENILXLESA-N 0 3 391.515 -0.163 20 0 GBADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644422116 1071375295 /nfs/dbraw/zinc/37/52/95/1071375295.db2.gz TUZITVLJDYPHSD-UGMNDJHYSA-N 0 3 391.515 -0.163 20 0 GBADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644422117 1071375030 /nfs/dbraw/zinc/37/50/30/1071375030.db2.gz TUZITVLJDYPHSD-ZBQKXELDSA-N 0 3 391.515 -0.163 20 0 GBADHN COC(=O)N[C@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001644457329 1071376951 /nfs/dbraw/zinc/37/69/51/1071376951.db2.gz UVUXXIZRKVIFRD-AWEZNQCLSA-N 0 3 398.485 -0.187 20 0 GBADHN CN(C)CCn1c2cc(C(=O)N3CCN(S(N)(=O)=O)CC3)ccc2[nH]c1=O ZINC001644510340 1071379272 /nfs/dbraw/zinc/37/92/72/1071379272.db2.gz IYXDAGCKYIRSMD-UHFFFAOYSA-N 0 3 396.473 -0.735 20 0 GBADHN NC(=O)c1cnn2c1nccc2C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001644530697 1071380850 /nfs/dbraw/zinc/38/08/50/1071380850.db2.gz BJJLKXREXLKVCA-UHFFFAOYSA-N 0 3 399.455 -0.226 20 0 GBADHN COC(=O)c1cn(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)nn1 ZINC001644531150 1071380735 /nfs/dbraw/zinc/38/07/35/1071380735.db2.gz NMEHPCDQYCDJFD-UHFFFAOYSA-N 0 3 378.433 -0.603 20 0 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1071543390 /nfs/dbraw/zinc/54/33/90/1071543390.db2.gz PYFVKLMMJREZMN-PXAZEXFGSA-N 0 3 380.445 -0.809 20 0 GBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001652690952 1071543764 /nfs/dbraw/zinc/54/37/64/1071543764.db2.gz PYFVKLMMJREZMN-SJCJKPOMSA-N 0 3 380.445 -0.809 20 0 GBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001652690953 1071543404 /nfs/dbraw/zinc/54/34/04/1071543404.db2.gz PYFVKLMMJREZMN-SJKOYZFVSA-N 0 3 380.445 -0.809 20 0 GBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001652690954 1071543688 /nfs/dbraw/zinc/54/36/88/1071543688.db2.gz PYFVKLMMJREZMN-YVEFUNNKSA-N 0 3 380.445 -0.809 20 0 GBADHN CCc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001652690991 1071543035 /nfs/dbraw/zinc/54/30/35/1071543035.db2.gz QMSGOVOLNLBMCT-LLVKDONJSA-N 0 3 387.440 -0.603 20 0 GBADHN CCc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001652690992 1071543889 /nfs/dbraw/zinc/54/38/89/1071543889.db2.gz QMSGOVOLNLBMCT-NSHDSACASA-N 0 3 387.440 -0.603 20 0 GBADHN CN1C[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691327 1071542999 /nfs/dbraw/zinc/54/29/99/1071542999.db2.gz YYBGFFUJAKRRBP-GXTWGEPZSA-N 0 3 382.461 -0.347 20 0 GBADHN CN1C[C@@H](C(=O)N2CC(N[C@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691328 1071543246 /nfs/dbraw/zinc/54/32/46/1071543246.db2.gz YYBGFFUJAKRRBP-JSGCOSHPSA-N 0 3 382.461 -0.347 20 0 GBADHN CN1C[C@@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691329 1071543120 /nfs/dbraw/zinc/54/31/20/1071543120.db2.gz YYBGFFUJAKRRBP-OCCSQVGLSA-N 0 3 382.461 -0.347 20 0 GBADHN CN1C[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691330 1071543624 /nfs/dbraw/zinc/54/36/24/1071543624.db2.gz YYBGFFUJAKRRBP-TZMCWYRMSA-N 0 3 382.461 -0.347 20 0 GBADHN CN(C)CCSc1nc(CC(=O)NC[C@@H](O)CS(C)(=O)=O)cs1 ZINC001653050571 1071550748 /nfs/dbraw/zinc/55/07/48/1071550748.db2.gz WOBIXNMPOMQKEG-LLVKDONJSA-N 0 3 381.545 -0.139 20 0 GBADHN CN(C)CCSc1nc(CC(=O)NC[C@H](O)CS(C)(=O)=O)cs1 ZINC001653050572 1071550834 /nfs/dbraw/zinc/55/08/34/1071550834.db2.gz WOBIXNMPOMQKEG-NSHDSACASA-N 0 3 381.545 -0.139 20 0 GBADHN C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)C1CCN(S(C)(=O)=O)CC1 ZINC001653120892 1071552662 /nfs/dbraw/zinc/55/26/62/1071552662.db2.gz PKQXUSKJTLZDFZ-LLVKDONJSA-N 0 3 389.565 -0.307 20 0 GBADHN C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)C1CCN(S(C)(=O)=O)CC1 ZINC001653120893 1071552528 /nfs/dbraw/zinc/55/25/28/1071552528.db2.gz PKQXUSKJTLZDFZ-NSHDSACASA-N 0 3 389.565 -0.307 20 0 GBADHN C[C@H]1NC(=O)N(CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1=O ZINC001653156878 1071552793 /nfs/dbraw/zinc/55/27/93/1071552793.db2.gz SFRNTWDXMDLQSC-GFCCVEGCSA-N 0 3 379.461 -0.637 20 0 GBADHN C[C@@H]1NC(=O)N(CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1=O ZINC001653156879 1071552617 /nfs/dbraw/zinc/55/26/17/1071552617.db2.gz SFRNTWDXMDLQSC-LBPRGKRZSA-N 0 3 379.461 -0.637 20 0 GBADHN O=C(N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1cccc(F)n1 ZINC001653331889 1071555142 /nfs/dbraw/zinc/55/51/42/1071555142.db2.gz ADLGBRKEALELFL-KKUMJFAQSA-N 0 3 380.420 -0.631 20 0 GBADHN O=C(N[C@@H](CO)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1cccc(F)n1 ZINC001653331890 1071556104 /nfs/dbraw/zinc/55/61/04/1071556104.db2.gz ADLGBRKEALELFL-RRFJBIMHSA-N 0 3 380.420 -0.631 20 0 GBADHN O=C(N[C@@H](CO)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1cccc(F)n1 ZINC001653331891 1071555873 /nfs/dbraw/zinc/55/58/73/1071555873.db2.gz ADLGBRKEALELFL-SOUVJXGZSA-N 0 3 380.420 -0.631 20 0 GBADHN O=C(N[C@@H](CO)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1cccc(F)n1 ZINC001653331892 1071556173 /nfs/dbraw/zinc/55/61/73/1071556173.db2.gz ADLGBRKEALELFL-ZNMIVQPWSA-N 0 3 380.420 -0.631 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001653332345 1071556130 /nfs/dbraw/zinc/55/61/30/1071556130.db2.gz FAKFAZICMOGTNY-CABCVRRESA-N 0 3 382.505 -0.147 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001653332346 1071555951 /nfs/dbraw/zinc/55/59/51/1071555951.db2.gz FAKFAZICMOGTNY-GJZGRUSLSA-N 0 3 382.505 -0.147 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001653332347 1071556052 /nfs/dbraw/zinc/55/60/52/1071556052.db2.gz FAKFAZICMOGTNY-HUUCEWRRSA-N 0 3 382.505 -0.147 20 0 GBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001653332348 1071555913 /nfs/dbraw/zinc/55/59/13/1071555913.db2.gz FAKFAZICMOGTNY-LSDHHAIUSA-N 0 3 382.505 -0.147 20 0 GBADHN COC(=O)CC1(NCC(=O)NC2CCN(S(C)(=O)=O)CC2)CCOCC1 ZINC001653685928 1071563970 /nfs/dbraw/zinc/56/39/70/1071563970.db2.gz DOBSCDWKPCDFML-UHFFFAOYSA-N 0 3 391.490 -0.772 20 0 GBADHN C[C@@H]1C[C@H](CO)CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001653945872 1071570319 /nfs/dbraw/zinc/57/03/19/1071570319.db2.gz HGMRCCWGGUDQON-CABCVRRESA-N 0 3 387.488 -0.038 20 0 GBADHN C[C@H]1C[C@H](CO)CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001653945876 1071569624 /nfs/dbraw/zinc/56/96/24/1071569624.db2.gz HGMRCCWGGUDQON-GJZGRUSLSA-N 0 3 387.488 -0.038 20 0 GBADHN C[C@@H]1C[C@@H](CO)CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001653945877 1071570114 /nfs/dbraw/zinc/57/01/14/1071570114.db2.gz HGMRCCWGGUDQON-HUUCEWRRSA-N 0 3 387.488 -0.038 20 0 GBADHN C[C@H]1C[C@@H](CO)CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001653945878 1071570266 /nfs/dbraw/zinc/57/02/66/1071570266.db2.gz HGMRCCWGGUDQON-LSDHHAIUSA-N 0 3 387.488 -0.038 20 0 GBADHN Cc1nn2cccnc2c1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001654018714 1071571229 /nfs/dbraw/zinc/57/12/29/1071571229.db2.gz SNBYLUWCKIWCBK-UHFFFAOYSA-N 0 3 392.485 -0.034 20 0 GBADHN COCCS(=O)(=O)CCCNC1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC001654213784 1071573648 /nfs/dbraw/zinc/57/36/48/1071573648.db2.gz CXFPNVNLQSFJHM-UHFFFAOYSA-N 0 3 385.504 -0.462 20 0 GBADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229822 1071573664 /nfs/dbraw/zinc/57/36/64/1071573664.db2.gz WEQIANGSNUVYMT-GASCZTMLSA-N 0 3 380.420 -0.428 20 0 GBADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001654229823 1071573725 /nfs/dbraw/zinc/57/37/25/1071573725.db2.gz WEQIANGSNUVYMT-GJZGRUSLSA-N 0 3 380.420 -0.428 20 0 GBADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229824 1071573732 /nfs/dbraw/zinc/57/37/32/1071573732.db2.gz WEQIANGSNUVYMT-HUUCEWRRSA-N 0 3 380.420 -0.428 20 0 GBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292262 1071575010 /nfs/dbraw/zinc/57/50/10/1071575010.db2.gz RYWDGTXICHDEAP-CVEARBPZSA-N 0 3 383.518 -0.018 20 0 GBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292264 1071574897 /nfs/dbraw/zinc/57/48/97/1071574897.db2.gz RYWDGTXICHDEAP-HOTGVXAUSA-N 0 3 383.518 -0.018 20 0 GBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292265 1071575220 /nfs/dbraw/zinc/57/52/20/1071575220.db2.gz RYWDGTXICHDEAP-HZPDHXFCSA-N 0 3 383.518 -0.018 20 0 GBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292266 1071575277 /nfs/dbraw/zinc/57/52/77/1071575277.db2.gz RYWDGTXICHDEAP-JKSUJKDBSA-N 0 3 383.518 -0.018 20 0 GBADHN CC(C)N1CCC(O)(CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001654619174 1071579199 /nfs/dbraw/zinc/57/91/99/1071579199.db2.gz ZLEYXOACDCHXJI-UHFFFAOYSA-N 0 3 383.536 -0.968 20 0 GBADHN C[C@H]1CN(CCO)CCN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC001654716792 1071581472 /nfs/dbraw/zinc/58/14/72/1071581472.db2.gz NMLFSRODMOBEBJ-AWEZNQCLSA-N 0 3 381.477 -0.339 20 0 GBADHN C[C@@H]1CN(CCO)CCN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC001654716793 1071581897 /nfs/dbraw/zinc/58/18/97/1071581897.db2.gz NMLFSRODMOBEBJ-CQSZACIVSA-N 0 3 381.477 -0.339 20 0 GBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H](CO)[C@H]1CCCOC1 ZINC001654728867 1071582803 /nfs/dbraw/zinc/58/28/03/1071582803.db2.gz FLWWRLZZQANGRC-DVOMOZLQSA-N 0 3 397.497 -0.011 20 0 GBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H](CO)[C@@H]1CCCOC1 ZINC001654728875 1071582566 /nfs/dbraw/zinc/58/25/66/1071582566.db2.gz FLWWRLZZQANGRC-IOASZLSFSA-N 0 3 397.497 -0.011 20 0 GBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H](CO)[C@H]1CCCOC1 ZINC001654728877 1071582732 /nfs/dbraw/zinc/58/27/32/1071582732.db2.gz FLWWRLZZQANGRC-WWGRRREGSA-N 0 3 397.497 -0.011 20 0 GBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H](CO)[C@@H]1CCCOC1 ZINC001654728879 1071582523 /nfs/dbraw/zinc/58/25/23/1071582523.db2.gz FLWWRLZZQANGRC-XJKCOSOUSA-N 0 3 397.497 -0.011 20 0 GBADHN CNC(=O)N[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001654781542 1071584493 /nfs/dbraw/zinc/58/44/93/1071584493.db2.gz ORRBCKKVVQDGCR-HNNXBMFYSA-N 0 3 375.477 -0.091 20 0 GBADHN CNC(=O)N[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001654781543 1071584468 /nfs/dbraw/zinc/58/44/68/1071584468.db2.gz ORRBCKKVVQDGCR-OAHLLOKOSA-N 0 3 375.477 -0.091 20 0 GBADHN CN1CCN(C(=O)CCN(CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001654817023 1071584912 /nfs/dbraw/zinc/58/49/12/1071584912.db2.gz NFAVXXFVLJHDLA-HNNXBMFYSA-N 0 3 388.509 -0.670 20 0 GBADHN CN1CCN(C(=O)CCN(CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001654817024 1071584878 /nfs/dbraw/zinc/58/48/78/1071584878.db2.gz NFAVXXFVLJHDLA-OAHLLOKOSA-N 0 3 388.509 -0.670 20 0 GBADHN CC[C@H]1C(=O)NCCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001654878304 1071585762 /nfs/dbraw/zinc/58/57/62/1071585762.db2.gz DBVCZEYHOBYSMT-INIZCTEOSA-N 0 3 396.513 -0.017 20 0 GBADHN NS(=O)(=O)C[C@H]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970677 1071587402 /nfs/dbraw/zinc/58/74/02/1071587402.db2.gz DAJQCLFDRWWOSZ-GXTWGEPZSA-N 0 3 382.442 -0.525 20 0 GBADHN NS(=O)(=O)C[C@H]1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970678 1071587613 /nfs/dbraw/zinc/58/76/13/1071587613.db2.gz DAJQCLFDRWWOSZ-JSGCOSHPSA-N 0 3 382.442 -0.525 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970679 1071587684 /nfs/dbraw/zinc/58/76/84/1071587684.db2.gz DAJQCLFDRWWOSZ-OCCSQVGLSA-N 0 3 382.442 -0.525 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970680 1071587711 /nfs/dbraw/zinc/58/77/11/1071587711.db2.gz DAJQCLFDRWWOSZ-TZMCWYRMSA-N 0 3 382.442 -0.525 20 0 GBADHN NS(=O)(=O)C[C@H]1CCN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975415 1071588585 /nfs/dbraw/zinc/58/85/85/1071588585.db2.gz RKJTVCQWVPUGKA-GXTWGEPZSA-N 0 3 383.470 -0.079 20 0 GBADHN NS(=O)(=O)C[C@H]1CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975416 1071588175 /nfs/dbraw/zinc/58/81/75/1071588175.db2.gz RKJTVCQWVPUGKA-JSGCOSHPSA-N 0 3 383.470 -0.079 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975417 1071588255 /nfs/dbraw/zinc/58/82/55/1071588255.db2.gz RKJTVCQWVPUGKA-OCCSQVGLSA-N 0 3 383.470 -0.079 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975418 1071588759 /nfs/dbraw/zinc/58/87/59/1071588759.db2.gz RKJTVCQWVPUGKA-TZMCWYRMSA-N 0 3 383.470 -0.079 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@@H](C)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001655057100 1071589469 /nfs/dbraw/zinc/58/94/69/1071589469.db2.gz CZIBPWAAVYOGIN-BNOWGMLFSA-N 0 3 392.456 -0.431 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001655057101 1071589364 /nfs/dbraw/zinc/58/93/64/1071589364.db2.gz CZIBPWAAVYOGIN-FPMFFAJLSA-N 0 3 392.456 -0.431 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001655057102 1071589551 /nfs/dbraw/zinc/58/95/51/1071589551.db2.gz CZIBPWAAVYOGIN-IACUBPJLSA-N 0 3 392.456 -0.431 20 0 GBADHN COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1OC ZINC001655057103 1071589538 /nfs/dbraw/zinc/58/95/38/1071589538.db2.gz CZIBPWAAVYOGIN-UBHSHLNASA-N 0 3 392.456 -0.431 20 0 GBADHN NS(=O)(=O)C[C@@H]1CCCCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001655337656 1071593023 /nfs/dbraw/zinc/59/30/23/1071593023.db2.gz JDNZLTKIXXUCBF-HNNXBMFYSA-N 0 3 396.517 -0.342 20 0 GBADHN NS(=O)(=O)C[C@H]1CCCCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001655337657 1071592997 /nfs/dbraw/zinc/59/29/97/1071592997.db2.gz JDNZLTKIXXUCBF-OAHLLOKOSA-N 0 3 396.517 -0.342 20 0 GBADHN O=C(CC[NH+]1CCC(Cc2nn[n-]n2)CC1)N1CCN(c2ncccn2)CC1 ZINC001655486048 1071595720 /nfs/dbraw/zinc/59/57/20/1071595720.db2.gz SHCBPMYHDCZYMF-UHFFFAOYSA-N 0 3 385.476 -0.017 20 0 GBADHN O=C(CC[NH+]1CCC(Cc2nnn[n-]2)CC1)N1CCN(c2ncccn2)CC1 ZINC001655486048 1071595709 /nfs/dbraw/zinc/59/57/09/1071595709.db2.gz SHCBPMYHDCZYMF-UHFFFAOYSA-N 0 3 385.476 -0.017 20 0 GBADHN CC(C)Cn1c(N)c(C(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)c(=O)[nH]c1=O ZINC001655522145 1071595467 /nfs/dbraw/zinc/59/54/67/1071595467.db2.gz QXJUNFBPHUKVEM-QWHCGFSZSA-N 0 3 379.461 -0.489 20 0 GBADHN CC(=O)N1CCN(C(=O)CCNCc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC001655532489 1071595598 /nfs/dbraw/zinc/59/55/98/1071595598.db2.gz FIRASGABZANDDL-UHFFFAOYSA-N 0 3 389.504 -0.601 20 0 GBADHN CNC(=O)CN1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001655642571 1071597997 /nfs/dbraw/zinc/59/79/97/1071597997.db2.gz OWHRDFABUBWFRY-UHFFFAOYSA-N 0 3 389.504 -0.731 20 0 GBADHN COC(=O)[C@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C(=O)OC ZINC001655866526 1071601976 /nfs/dbraw/zinc/60/19/76/1071601976.db2.gz 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GBADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CC[C@H](CS(N)(=O)=O)C2)CCC1 ZINC001656344619 1071606646 /nfs/dbraw/zinc/60/66/46/1071606646.db2.gz WUFFTRDCKNCMAO-STQMWFEESA-N 0 3 397.563 -0.402 20 0 GBADHN Cc1nnc(NC(=O)CN[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001656346098 1071606748 /nfs/dbraw/zinc/60/67/48/1071606748.db2.gz LRNPOYHMCBECGX-QCNOEVLYSA-N 0 3 380.474 -0.219 20 0 GBADHN Cc1nn(C)c(C)c1NC(=O)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001656346324 1071606700 /nfs/dbraw/zinc/60/67/00/1071606700.db2.gz TWUAHIMQUNNHJI-YJNKXOJESA-N 0 3 390.488 -0.029 20 0 GBADHN COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001656388510 1071607478 /nfs/dbraw/zinc/60/74/78/1071607478.db2.gz PYDBMYVEYOQTET-CVEARBPZSA-N 0 3 376.457 -0.279 20 0 GBADHN COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001656388511 1071607385 /nfs/dbraw/zinc/60/73/85/1071607385.db2.gz PYDBMYVEYOQTET-HOTGVXAUSA-N 0 3 376.457 -0.279 20 0 GBADHN COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001656388512 1071607368 /nfs/dbraw/zinc/60/73/68/1071607368.db2.gz PYDBMYVEYOQTET-HZPDHXFCSA-N 0 3 376.457 -0.279 20 0 GBADHN COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001656388513 1071607375 /nfs/dbraw/zinc/60/73/75/1071607375.db2.gz PYDBMYVEYOQTET-JKSUJKDBSA-N 0 3 376.457 -0.279 20 0 GBADHN Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2NCCNC(=O)C2CC2)cn1 ZINC001656405438 1071607404 /nfs/dbraw/zinc/60/74/04/1071607404.db2.gz WNVLFOKWPULDFO-LJCCNALRSA-N 0 3 387.484 -0.133 20 0 GBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)CC1=O ZINC001656477503 1071608909 /nfs/dbraw/zinc/60/89/09/1071608909.db2.gz HATMVOVWFCVKPG-AWEZNQCLSA-N 0 3 398.485 -0.757 20 0 GBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)CC1=O ZINC001656477506 1071608646 /nfs/dbraw/zinc/60/86/46/1071608646.db2.gz HATMVOVWFCVKPG-CQSZACIVSA-N 0 3 398.485 -0.757 20 0 GBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)C2(C(=O)OC)CCC2)CC1=O ZINC001656478303 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397.483 -0.267 20 0 GBADHN CS(=O)(=O)NCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2C1 ZINC001656814725 1071613799 /nfs/dbraw/zinc/61/37/99/1071613799.db2.gz WBDCCMMVKPDUQO-LXTVHRRPSA-N 0 3 381.502 -0.157 20 0 GBADHN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC(NC3CCOCC3)C2)cn1C ZINC001656905628 1071615597 /nfs/dbraw/zinc/61/55/97/1071615597.db2.gz CPKUKEZVOSGPMD-UHFFFAOYSA-N 0 3 399.469 -0.088 20 0 GBADHN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC(NC3CCOCC3)C2)C1 ZINC001656906097 1071615459 /nfs/dbraw/zinc/61/54/59/1071615459.db2.gz YWPKQGCRTFWRNO-GFCCVEGCSA-N 0 3 381.520 -0.950 20 0 GBADHN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC(NC3CCOCC3)C2)C1 ZINC001656906098 1071615282 /nfs/dbraw/zinc/61/52/82/1071615282.db2.gz YWPKQGCRTFWRNO-LBPRGKRZSA-N 0 3 381.520 -0.950 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001656967239 1071617051 /nfs/dbraw/zinc/61/70/51/1071617051.db2.gz ZWAWHPBWABQCSS-BDAKNGLRSA-N 0 3 388.364 -0.617 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001656967240 1071617154 /nfs/dbraw/zinc/61/71/54/1071617154.db2.gz ZWAWHPBWABQCSS-DTWKUNHWSA-N 0 3 388.364 -0.617 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001656967241 1071616754 /nfs/dbraw/zinc/61/67/54/1071616754.db2.gz ZWAWHPBWABQCSS-IUCAKERBSA-N 0 3 388.364 -0.617 20 0 GBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001656967242 1071616870 /nfs/dbraw/zinc/61/68/70/1071616870.db2.gz ZWAWHPBWABQCSS-RKDXNWHRSA-N 0 3 388.364 -0.617 20 0 GBADHN CS(=O)(=O)N1CCN(CCNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC001657141002 1071619896 /nfs/dbraw/zinc/61/98/96/1071619896.db2.gz BOSRZQIIEBGMQC-UHFFFAOYSA-N 0 3 382.533 -0.938 20 0 GBADHN NC(=O)Cn1cc(CNCc2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC001657271479 1071622592 /nfs/dbraw/zinc/62/25/92/1071622592.db2.gz QLDBMPXVGHCNLS-UHFFFAOYSA-N 0 3 385.472 -0.121 20 0 GBADHN CN(C[C@@H](O)CN1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527235 1071625053 /nfs/dbraw/zinc/62/50/53/1071625053.db2.gz SQCJPJHMYQDIMY-CEXWTWQISA-N 0 3 393.484 -0.007 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527236 1071625136 /nfs/dbraw/zinc/62/51/36/1071625136.db2.gz SQCJPJHMYQDIMY-GBESFXJTSA-N 0 3 393.484 -0.007 20 0 GBADHN CN(C[C@@H](O)CN1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527237 1071625153 /nfs/dbraw/zinc/62/51/53/1071625153.db2.gz SQCJPJHMYQDIMY-GUDVDZBRSA-N 0 3 393.484 -0.007 20 0 GBADHN CN(C[C@H](O)CN1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527238 1071625224 /nfs/dbraw/zinc/62/52/24/1071625224.db2.gz SQCJPJHMYQDIMY-IPMKNSEASA-N 0 3 393.484 -0.007 20 0 GBADHN NS(=O)(=O)c1ccc(CNC[C@H](O)Cn2ccnn2)cc1Br ZINC001658098210 1071626669 /nfs/dbraw/zinc/62/66/69/1071626669.db2.gz AFPYTPWSNBNWBC-JTQLQIEISA-N 0 3 390.263 -0.161 20 0 GBADHN NS(=O)(=O)c1ccc(CNC[C@@H](O)Cn2ccnn2)cc1Br ZINC001658098212 1071626579 /nfs/dbraw/zinc/62/65/79/1071626579.db2.gz AFPYTPWSNBNWBC-SNVBAGLBSA-N 0 3 390.263 -0.161 20 0 GBADHN C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1CCO ZINC001658373947 1071626560 /nfs/dbraw/zinc/62/65/60/1071626560.db2.gz VZKPLEORGGJZRP-HNNXBMFYSA-N 0 3 398.529 -0.619 20 0 GBADHN C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1CCO ZINC001658373948 1071626457 /nfs/dbraw/zinc/62/64/57/1071626457.db2.gz VZKPLEORGGJZRP-OAHLLOKOSA-N 0 3 398.529 -0.619 20 0 GBADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488108 1071626623 /nfs/dbraw/zinc/62/66/23/1071626623.db2.gz IQZCZWPOFASVGQ-APXRDBCWSA-N 0 3 397.472 -0.104 20 0 GBADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488109 1071626529 /nfs/dbraw/zinc/62/65/29/1071626529.db2.gz IQZCZWPOFASVGQ-KWUTWHQWSA-N 0 3 397.472 -0.104 20 0 GBADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488110 1071627108 /nfs/dbraw/zinc/62/71/08/1071627108.db2.gz IQZCZWPOFASVGQ-RWNCWCDWSA-N 0 3 397.472 -0.104 20 0 GBADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488111 1071627118 /nfs/dbraw/zinc/62/71/18/1071627118.db2.gz IQZCZWPOFASVGQ-URSRKNFFSA-N 0 3 397.472 -0.104 20 0 GBADHN COc1cc(CNC[C@@]2(CO)COCCN2C)cc(OC)c1OCC(N)=O ZINC001658617628 1071627479 /nfs/dbraw/zinc/62/74/79/1071627479.db2.gz VJGVPTRXAQCCJQ-GOSISDBHSA-N 0 3 383.445 -0.649 20 0 GBADHN COc1cc(CNC[C@]2(CO)COCCN2C)cc(OC)c1OCC(N)=O ZINC001658617629 1071627097 /nfs/dbraw/zinc/62/70/97/1071627097.db2.gz VJGVPTRXAQCCJQ-SFHVURJKSA-N 0 3 383.445 -0.649 20 0 GBADHN CN(C)S(=O)(=O)n1ccnc1CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001658802699 1071628164 /nfs/dbraw/zinc/62/81/64/1071628164.db2.gz VHJRBVLNFWVRIU-UHFFFAOYSA-N 0 3 398.533 -0.157 20 0 GBADHN CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)n1 ZINC001659242178 1071629660 /nfs/dbraw/zinc/62/96/60/1071629660.db2.gz QZAHCLQBSVMLHA-UHFFFAOYSA-N 0 3 378.481 -0.390 20 0 GBADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001659251228 1071629604 /nfs/dbraw/zinc/62/96/04/1071629604.db2.gz MVTJZDTVYLIFDS-UHFFFAOYSA-N 0 3 393.473 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COC(=O)c1ncccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC001659906282 1071637133 /nfs/dbraw/zinc/63/71/33/1071637133.db2.gz YIUINVVDMHXERS-LBPRGKRZSA-N 0 3 384.458 -0.266 20 0 GBADHN COC1(OC)CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1O ZINC001659950384 1071637038 /nfs/dbraw/zinc/63/70/38/1071637038.db2.gz FGESBENXZRPIPX-CYBMUJFWSA-N 0 3 398.460 -0.282 20 0 GBADHN COC1(OC)CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1O ZINC001659950385 1071637242 /nfs/dbraw/zinc/63/72/42/1071637242.db2.gz FGESBENXZRPIPX-ZDUSSCGKSA-N 0 3 398.460 -0.282 20 0 GBADHN CC1(C)CNC(=O)[C@@H]1NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001660002667 1071638157 /nfs/dbraw/zinc/63/81/57/1071638157.db2.gz LUEONDLVUMDFQJ-HNNXBMFYSA-N 0 3 382.486 -0.503 20 0 GBADHN CC1(C)CNC(=O)[C@H]1NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001660002668 1071637820 /nfs/dbraw/zinc/63/78/20/1071637820.db2.gz LUEONDLVUMDFQJ-OAHLLOKOSA-N 0 3 382.486 -0.503 20 0 GBADHN Cn1ccn2c(CCNCC3(S(=O)(=O)NC(C)(C)C)CC3)nnc2c1=O ZINC001660021544 1071638011 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NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC001661177383 1071652714 /nfs/dbraw/zinc/65/27/14/1071652714.db2.gz YXKPWFZETIKDMR-KGLIPLIRSA-N 0 3 380.536 -0.693 20 0 GBADHN Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001661352378 1071655812 /nfs/dbraw/zinc/65/58/12/1071655812.db2.gz ZURFYCIXRLLUMZ-UHFFFAOYSA-N 0 3 384.458 -0.384 20 0 GBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001661379593 1071655625 /nfs/dbraw/zinc/65/56/25/1071655625.db2.gz FGJDXJUOFSLDGB-HIFRSBDPSA-N 0 3 393.531 -0.963 20 0 GBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001661379594 1071655648 /nfs/dbraw/zinc/65/56/48/1071655648.db2.gz FGJDXJUOFSLDGB-ZFWWWQNUSA-N 0 3 393.531 -0.963 20 0 GBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)oc2C)CC1 ZINC001661405621 1071656415 /nfs/dbraw/zinc/65/64/15/1071656415.db2.gz XKRLXYLIBNMQFW-UHFFFAOYSA-N 0 3 386.474 -0.138 20 0 GBADHN CN(C)CCCS(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001661427828 1071656563 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IBOVBSSVOQCHHZ-UHFFFAOYSA-N 0 3 380.492 -0.597 20 0 GBADHN COC(=O)[C@@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC001662507559 1071670649 /nfs/dbraw/zinc/67/06/49/1071670649.db2.gz YJQPTXQODLEIEP-AWEZNQCLSA-N 0 3 377.507 -0.489 20 0 GBADHN COC(=O)[C@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC001662507560 1071670772 /nfs/dbraw/zinc/67/07/72/1071670772.db2.gz YJQPTXQODLEIEP-CQSZACIVSA-N 0 3 377.507 -0.489 20 0 GBADHN CS[C@@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@H]1N1CCCC1 ZINC001662948579 1071676487 /nfs/dbraw/zinc/67/64/87/1071676487.db2.gz NMYKAXREOVFKRR-CHWSQXEVSA-N 0 3 385.577 -0.104 20 0 GBADHN CS[C@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@H]1N1CCCC1 ZINC001662948580 1071676621 /nfs/dbraw/zinc/67/66/21/1071676621.db2.gz NMYKAXREOVFKRR-OLZOCXBDSA-N 0 3 385.577 -0.104 20 0 GBADHN CS[C@@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@@H]1N1CCCC1 ZINC001662948581 1071676790 /nfs/dbraw/zinc/67/67/90/1071676790.db2.gz NMYKAXREOVFKRR-QWHCGFSZSA-N 0 3 385.577 -0.104 20 0 GBADHN CS[C@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@@H]1N1CCCC1 ZINC001662948582 1071676522 /nfs/dbraw/zinc/67/65/22/1071676522.db2.gz NMYKAXREOVFKRR-STQMWFEESA-N 0 3 385.577 -0.104 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC)nn2)CC1 ZINC001663133126 1071679500 /nfs/dbraw/zinc/67/95/00/1071679500.db2.gz CVYSWIDRLDRQHM-UHFFFAOYSA-N 0 3 377.449 -0.146 20 0 GBADHN CNC(=O)c1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC001663133259 1071679408 /nfs/dbraw/zinc/67/94/08/1071679408.db2.gz DTWYKYVKALBCRS-CYBMUJFWSA-N 0 3 377.449 -0.100 20 0 GBADHN CNC(=O)c1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1 ZINC001663133260 1071679434 /nfs/dbraw/zinc/67/94/34/1071679434.db2.gz DTWYKYVKALBCRS-ZDUSSCGKSA-N 0 3 377.449 -0.100 20 0 GBADHN NC(=O)c1cn(C2CCN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC2)nn1 ZINC001663151737 1071680240 /nfs/dbraw/zinc/68/02/40/1071680240.db2.gz ZTZTZJIKLLQDIY-INIZCTEOSA-N 0 3 382.490 -0.170 20 0 GBADHN O=C(NCCN(C[C@@H](O)CN1C(=O)CCC1=O)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001663756913 1071690116 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CCN1CCN(C[C@@H](C)CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678791199 1071882132 /nfs/dbraw/zinc/88/21/32/1071882132.db2.gz TUUAIWFQZPPACL-ZDUSSCGKSA-N 0 3 376.465 -0.510 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001678791683 1071883445 /nfs/dbraw/zinc/88/34/45/1071883445.db2.gz YRSNIRWPIFVFQS-ILXRZTDVSA-N 0 3 385.509 -0.375 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001678791685 1071883512 /nfs/dbraw/zinc/88/35/12/1071883512.db2.gz YRSNIRWPIFVFQS-KKUMJFAQSA-N 0 3 385.509 -0.375 20 0 GBADHN CNS(=O)(=O)C1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001678970132 1071884965 /nfs/dbraw/zinc/88/49/65/1071884965.db2.gz NRDAYRRWBYFJQJ-UHFFFAOYSA-N 0 3 375.539 -0.263 20 0 GBADHN CN1CCN(C2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)CC1 ZINC001679048459 1071886058 /nfs/dbraw/zinc/88/60/58/1071886058.db2.gz BLKLIWOXSDMDPQ-UHFFFAOYSA-N 0 3 376.461 -0.423 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097872 1071885927 /nfs/dbraw/zinc/88/59/27/1071885927.db2.gz ULFPCEVHRAGABK-GDBMZVCRSA-N 0 3 376.523 -0.891 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097873 1071886171 /nfs/dbraw/zinc/88/61/71/1071886171.db2.gz ULFPCEVHRAGABK-GOEBONIOSA-N 0 3 376.523 -0.891 20 0 GBADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097874 1071886108 /nfs/dbraw/zinc/88/61/08/1071886108.db2.gz ULFPCEVHRAGABK-HOCLYGCPSA-N 0 3 376.523 -0.891 20 0 GBADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097875 1071886150 /nfs/dbraw/zinc/88/61/50/1071886150.db2.gz ULFPCEVHRAGABK-ZBFHGGJFSA-N 0 3 376.523 -0.891 20 0 GBADHN C[C@@H](CNC(=O)NCCc1nnc2c(=O)n(C)ccn12)CN1CCN(C)CC1 ZINC001679098054 1071886043 /nfs/dbraw/zinc/88/60/43/1071886043.db2.gz WNVWQIXZJUNWEM-AWEZNQCLSA-N 0 3 390.492 -0.847 20 0 GBADHN C[C@H](CNC(=O)NCCc1nnc2c(=O)n(C)ccn12)CN1CCN(C)CC1 ZINC001679098055 1071886318 /nfs/dbraw/zinc/88/63/18/1071886318.db2.gz WNVWQIXZJUNWEM-CQSZACIVSA-N 0 3 390.492 -0.847 20 0 GBADHN C[C@@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)CN1CCN(C)CC1 ZINC001679098153 1071886277 /nfs/dbraw/zinc/88/62/77/1071886277.db2.gz YIHVZVCKBFJKHI-AWEZNQCLSA-N 0 3 380.497 -0.660 20 0 GBADHN C[C@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)CN1CCN(C)CC1 ZINC001679098154 1071886198 /nfs/dbraw/zinc/88/61/98/1071886198.db2.gz YIHVZVCKBFJKHI-CQSZACIVSA-N 0 3 380.497 -0.660 20 0 GBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC001679176193 1071886864 /nfs/dbraw/zinc/88/68/64/1071886864.db2.gz LBHXSUJNNCBLGV-INIZCTEOSA-N 0 3 383.493 -0.787 20 0 GBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC001679176194 1071886886 /nfs/dbraw/zinc/88/68/86/1071886886.db2.gz LBHXSUJNNCBLGV-MRXNPFEDSA-N 0 3 383.493 -0.787 20 0 GBADHN CN1CCN(CCCCNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC001679282207 1071888856 /nfs/dbraw/zinc/88/88/56/1071888856.db2.gz MNEMXLPBGBAOCJ-UHFFFAOYSA-N 0 3 375.539 -0.276 20 0 GBADHN COCCN1CC[C@H](NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC001679295550 1071888768 /nfs/dbraw/zinc/88/87/68/1071888768.db2.gz KHIPVXNWBOUZPP-AWEZNQCLSA-N 0 3 390.492 -0.117 20 0 GBADHN COCCN1CC[C@@H](NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC001679295551 1071888545 /nfs/dbraw/zinc/88/85/45/1071888545.db2.gz KHIPVXNWBOUZPP-CQSZACIVSA-N 0 3 390.492 -0.117 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC001679417562 1071889755 /nfs/dbraw/zinc/88/97/55/1071889755.db2.gz SABJEDHVTQMSHK-UHFFFAOYSA-N 0 3 391.476 -0.345 20 0 GBADHN CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC001679783744 1071895987 /nfs/dbraw/zinc/89/59/87/1071895987.db2.gz BYKUIGPIOKXNTM-HNNXBMFYSA-N 0 3 376.523 -0.196 20 0 GBADHN CS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC001679783745 1071896031 /nfs/dbraw/zinc/89/60/31/1071896031.db2.gz BYKUIGPIOKXNTM-OAHLLOKOSA-N 0 3 376.523 -0.196 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)C2=O)n(C)n1 ZINC001679812502 1071895708 /nfs/dbraw/zinc/89/57/08/1071895708.db2.gz VMGITINQJRWZTD-CABCVRRESA-N 0 3 378.477 -0.020 20 0 GBADHN Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CCCN(CCCO)C3)C2=O)n(C)n1 ZINC001679812503 1071895823 /nfs/dbraw/zinc/89/58/23/1071895823.db2.gz VMGITINQJRWZTD-GJZGRUSLSA-N 0 3 378.477 -0.020 20 0 GBADHN Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)C2=O)n(C)n1 ZINC001679812504 1071895388 /nfs/dbraw/zinc/89/53/88/1071895388.db2.gz VMGITINQJRWZTD-HUUCEWRRSA-N 0 3 378.477 -0.020 20 0 GBADHN Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CCCN(CCCO)C3)C2=O)n(C)n1 ZINC001679812505 1071895870 /nfs/dbraw/zinc/89/58/70/1071895870.db2.gz VMGITINQJRWZTD-LSDHHAIUSA-N 0 3 378.477 -0.020 20 0 GBADHN CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001679893223 1071896522 /nfs/dbraw/zinc/89/65/22/1071896522.db2.gz GVCNIZUQLFNKCL-KRWDZBQOSA-N 0 3 399.513 -0.152 20 0 GBADHN CS(=O)(=O)C[C@H](O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001679893224 1071896589 /nfs/dbraw/zinc/89/65/89/1071896589.db2.gz GVCNIZUQLFNKCL-QGZVFWFLSA-N 0 3 399.513 -0.152 20 0 GBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC001679987754 1071897575 /nfs/dbraw/zinc/89/75/75/1071897575.db2.gz SIAWKHCRGUUPIW-UHFFFAOYSA-N 0 3 377.492 -0.121 20 0 GBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nn2)CC1 ZINC001680232065 1071901264 /nfs/dbraw/zinc/90/12/64/1071901264.db2.gz IPXVWCTXXBQPNM-GFCCVEGCSA-N 0 3 396.473 -0.350 20 0 GBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nn2)CC1 ZINC001680232066 1071901329 /nfs/dbraw/zinc/90/13/29/1071901329.db2.gz IPXVWCTXXBQPNM-LBPRGKRZSA-N 0 3 396.473 -0.350 20 0 GBADHN CN(CCNC(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O)CCOCCO ZINC001680587113 1071907718 /nfs/dbraw/zinc/90/77/18/1071907718.db2.gz YHKLCFABVUUBET-UHFFFAOYSA-N 0 3 393.444 -0.701 20 0 GBADHN O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N[C@H]1CCCN(CCCO)C1 ZINC001680632084 1071908557 /nfs/dbraw/zinc/90/85/57/1071908557.db2.gz NJPWGFIPARWGJI-AWEZNQCLSA-N 0 3 379.465 -0.123 20 0 GBADHN O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N[C@@H]1CCCN(CCCO)C1 ZINC001680632085 1071908250 /nfs/dbraw/zinc/90/82/50/1071908250.db2.gz NJPWGFIPARWGJI-CQSZACIVSA-N 0 3 379.465 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1071920430 /nfs/dbraw/zinc/92/04/30/1071920430.db2.gz YQCCZCIJEYGQLE-DLBZAZTESA-N 0 3 399.513 -0.018 20 0 GBADHN CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001681374985 1071920511 /nfs/dbraw/zinc/92/05/11/1071920511.db2.gz YQCCZCIJEYGQLE-IAGOWNOFSA-N 0 3 399.513 -0.018 20 0 GBADHN CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001681374986 1071920181 /nfs/dbraw/zinc/92/01/81/1071920181.db2.gz YQCCZCIJEYGQLE-IRXDYDNUSA-N 0 3 399.513 -0.018 20 0 GBADHN CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001681374987 1071920152 /nfs/dbraw/zinc/92/01/52/1071920152.db2.gz YQCCZCIJEYGQLE-SJORKVTESA-N 0 3 399.513 -0.018 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001681551137 1071922030 /nfs/dbraw/zinc/92/20/30/1071922030.db2.gz BAXDZACPEPQAHF-AWEZNQCLSA-N 0 3 377.511 -0.629 20 0 GBADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001681551138 1071922240 /nfs/dbraw/zinc/92/22/40/1071922240.db2.gz BAXDZACPEPQAHF-CQSZACIVSA-N 0 3 377.511 -0.629 20 0 GBADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CC2(C1)NC(=O)NC2=O ZINC001681600498 1071922097 /nfs/dbraw/zinc/92/20/97/1071922097.db2.gz GSXROKHGEFUFNT-HNNXBMFYSA-N 0 3 387.440 -0.119 20 0 GBADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CC2(C1)NC(=O)NC2=O ZINC001681600500 1071922263 /nfs/dbraw/zinc/92/22/63/1071922263.db2.gz GSXROKHGEFUFNT-OAHLLOKOSA-N 0 3 387.440 -0.119 20 0 GBADHN CNS(=O)(=O)NC1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC001681994007 1071927715 /nfs/dbraw/zinc/92/77/15/1071927715.db2.gz SQKJBOTWJGBHNK-UHFFFAOYSA-N 0 3 390.554 -0.760 20 0 GBADHN C[C@@H]1CN(C(=O)NCc2nnc3n2CCOC3)CC[C@@H]1N1CCN(C)CC1 ZINC001682011084 1071927741 /nfs/dbraw/zinc/92/77/41/1071927741.db2.gz FJEZWMKZGXYBIO-CABCVRRESA-N 0 3 377.493 -0.024 20 0 GBADHN C[C@H]1CN(C(=O)NCc2nnc3n2CCOC3)CC[C@@H]1N1CCN(C)CC1 ZINC001682011085 1071927563 /nfs/dbraw/zinc/92/75/63/1071927563.db2.gz FJEZWMKZGXYBIO-GJZGRUSLSA-N 0 3 377.493 -0.024 20 0 GBADHN C[C@@H]1CN(C(=O)NCc2nnc3n2CCOC3)CC[C@H]1N1CCN(C)CC1 ZINC001682011086 1071927637 /nfs/dbraw/zinc/92/76/37/1071927637.db2.gz FJEZWMKZGXYBIO-HUUCEWRRSA-N 0 3 377.493 -0.024 20 0 GBADHN C[C@H]1CN(C(=O)NCc2nnc3n2CCOC3)CC[C@H]1N1CCN(C)CC1 ZINC001682011087 1071927651 /nfs/dbraw/zinc/92/76/51/1071927651.db2.gz FJEZWMKZGXYBIO-LSDHHAIUSA-N 0 3 377.493 -0.024 20 0 GBADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)CS(C)(=O)=O)cc2)CC1 ZINC001682091495 1071928179 /nfs/dbraw/zinc/92/81/79/1071928179.db2.gz XAAGPIMXHYHXOX-KRWDZBQOSA-N 0 3 398.529 -0.361 20 0 GBADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)cc2)CC1 ZINC001682091496 1071928156 /nfs/dbraw/zinc/92/81/56/1071928156.db2.gz XAAGPIMXHYHXOX-QGZVFWFLSA-N 0 3 398.529 -0.361 20 0 GBADHN C[C@@H]1CN(CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001682202824 1071929872 /nfs/dbraw/zinc/92/98/72/1071929872.db2.gz KAOVCKNFHMHEHM-MGNMYUMUSA-N 0 3 381.521 -0.222 20 0 GBADHN C[C@H]1CN(CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001682202826 1071929792 /nfs/dbraw/zinc/92/97/92/1071929792.db2.gz KAOVCKNFHMHEHM-XYTVBORESA-N 0 3 381.521 -0.222 20 0 GBADHN CN1CCN(C2CCN(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)CC2)CC1 ZINC001682212751 1071930110 /nfs/dbraw/zinc/93/01/10/1071930110.db2.gz SRIREORKCABSLW-UHFFFAOYSA-N 0 3 392.504 -0.071 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCCS(N)(=O)=O)CC1 ZINC001682341341 1071932491 /nfs/dbraw/zinc/93/24/91/1071932491.db2.gz WRXKGLXQVCLCPD-UHFFFAOYSA-N 0 3 375.495 -0.820 20 0 GBADHN CN(CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1O)C1CCC1 ZINC001682504052 1071935414 /nfs/dbraw/zinc/93/54/14/1071935414.db2.gz XDDXFMPHPCSSEG-KCYZZUKISA-N 0 3 375.473 -0.304 20 0 GBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1)CC(C)(C)C ZINC001682665697 1071938601 /nfs/dbraw/zinc/93/86/01/1071938601.db2.gz KVEJBDNRNJNNET-LXTVHRRPSA-N 0 3 382.505 -0.446 20 0 GBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCCS(N)(=O)=O)CC1 ZINC001682737072 1071940024 /nfs/dbraw/zinc/94/00/24/1071940024.db2.gz YRGOWOWKQWRCDU-UHFFFAOYSA-N 0 3 377.511 -0.749 20 0 GBADHN CN(C)S(=O)(=O)CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001682841061 1071940775 /nfs/dbraw/zinc/94/07/75/1071940775.db2.gz PAWIFOPVMFIQRB-UHFFFAOYSA-N 0 3 389.522 -0.607 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001683262199 1071947589 /nfs/dbraw/zinc/94/75/89/1071947589.db2.gz JXHZQUWQCPGCRI-AWEZNQCLSA-N 0 3 390.492 -0.107 20 0 GBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001683262200 1071948053 /nfs/dbraw/zinc/94/80/53/1071948053.db2.gz JXHZQUWQCPGCRI-CQSZACIVSA-N 0 3 390.492 -0.107 20 0 GBADHN NC(=O)c1cn(CCCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)nn1 ZINC001683285760 1071949134 /nfs/dbraw/zinc/94/91/34/1071949134.db2.gz FJAYLUNPWHFEQY-AWEZNQCLSA-N 0 3 379.465 -0.290 20 0 GBADHN NC(=O)c1cn(CCCCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)nn1 ZINC001683285762 1071949124 /nfs/dbraw/zinc/94/91/24/1071949124.db2.gz FJAYLUNPWHFEQY-CQSZACIVSA-N 0 3 379.465 -0.290 20 0 GBADHN NC(=O)c1cn(CCCCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)nn1 ZINC001683285931 1071949264 /nfs/dbraw/zinc/94/92/64/1071949264.db2.gz HBBNMVHLEVCNFP-CABCVRRESA-N 0 3 379.465 -0.602 20 0 GBADHN NC(=O)c1cn(CCCCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)nn1 ZINC001683285934 1071949338 /nfs/dbraw/zinc/94/93/38/1071949338.db2.gz HBBNMVHLEVCNFP-GJZGRUSLSA-N 0 3 379.465 -0.602 20 0 GBADHN NC(=O)c1cn(CCCCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)nn1 ZINC001683285936 1071949215 /nfs/dbraw/zinc/94/92/15/1071949215.db2.gz HBBNMVHLEVCNFP-HUUCEWRRSA-N 0 3 379.465 -0.602 20 0 GBADHN NC(=O)c1cn(CCCCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)nn1 ZINC001683285938 1071949445 /nfs/dbraw/zinc/94/94/45/1071949445.db2.gz HBBNMVHLEVCNFP-LSDHHAIUSA-N 0 3 379.465 -0.602 20 0 GBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001683286519 1071949063 /nfs/dbraw/zinc/94/90/63/1071949063.db2.gz OWJLTNDQGZOWPU-UHFFFAOYSA-N 0 3 380.497 -0.564 20 0 GBADHN CN1CCN(CCC(C)(C)NC(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001683286863 1071949170 /nfs/dbraw/zinc/94/91/70/1071949170.db2.gz VUULMZZFNINUJT-UHFFFAOYSA-N 0 3 394.524 -0.128 20 0 GBADHN CC(C)(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)CS(N)(=O)=O ZINC001683421975 1071951255 /nfs/dbraw/zinc/95/12/55/1071951255.db2.gz FAKUXYUSCHESCQ-UHFFFAOYSA-N 0 3 389.522 -0.749 20 0 GBADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2O)CCC1 ZINC001683521047 1071954436 /nfs/dbraw/zinc/95/44/36/1071954436.db2.gz XAYUTYBNXDZRGC-ARKGTOAJSA-N 0 3 381.473 -0.790 20 0 GBADHN CC(C)C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)C(=O)N1CCOCC1 ZINC001683560991 1071956032 /nfs/dbraw/zinc/95/60/32/1071956032.db2.gz NXQQXRJCCPOXLT-INIZCTEOSA-N 0 3 397.520 -0.325 20 0 GBADHN CC(C)C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1CCOCC1 ZINC001683561388 1071955919 /nfs/dbraw/zinc/95/59/19/1071955919.db2.gz USSRYUAFUDUMRD-INIZCTEOSA-N 0 3 399.536 -0.079 20 0 GBADHN CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001683591405 1071957197 /nfs/dbraw/zinc/95/71/97/1071957197.db2.gz FDZZMCYATBDOAA-CABCVRRESA-N 0 3 398.508 -0.732 20 0 GBADHN CNC(=O)NC[C@H]1COCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001683591406 1071956760 /nfs/dbraw/zinc/95/67/60/1071956760.db2.gz FDZZMCYATBDOAA-GJZGRUSLSA-N 0 3 398.508 -0.732 20 0 GBADHN CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001683591407 1071957043 /nfs/dbraw/zinc/95/70/43/1071957043.db2.gz FDZZMCYATBDOAA-HUUCEWRRSA-N 0 3 398.508 -0.732 20 0 GBADHN CNC(=O)NC[C@H]1COCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001683591408 1071957172 /nfs/dbraw/zinc/95/71/72/1071957172.db2.gz FDZZMCYATBDOAA-LSDHHAIUSA-N 0 3 398.508 -0.732 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)CS(N)(=O)=O ZINC001683591756 1071956600 /nfs/dbraw/zinc/95/66/00/1071956600.db2.gz QAQUQIYQOBUVNP-CYBMUJFWSA-N 0 3 391.538 -0.457 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(C)(C)CS(N)(=O)=O ZINC001683591757 1071957152 /nfs/dbraw/zinc/95/71/52/1071957152.db2.gz QAQUQIYQOBUVNP-ZDUSSCGKSA-N 0 3 391.538 -0.457 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001683595726 1071956793 /nfs/dbraw/zinc/95/67/93/1071956793.db2.gz QABHUBGWKRSODI-AWEZNQCLSA-N 0 3 394.476 -0.419 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001683595727 1071956863 /nfs/dbraw/zinc/95/68/63/1071956863.db2.gz QABHUBGWKRSODI-CQSZACIVSA-N 0 3 394.476 -0.419 20 0 GBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC(C)(C)CNS(C)(=O)=O ZINC001683595871 1071957252 /nfs/dbraw/zinc/95/72/52/1071957252.db2.gz VDLMGJUJVFGDBU-CYBMUJFWSA-N 0 3 391.538 -0.444 20 0 GBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC(C)(C)CNS(C)(=O)=O ZINC001683595872 1071957094 /nfs/dbraw/zinc/95/70/94/1071957094.db2.gz VDLMGJUJVFGDBU-ZDUSSCGKSA-N 0 3 391.538 -0.444 20 0 GBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCC2N=NC(=O)N2C2CC2)CC1 ZINC001683606153 1071957870 /nfs/dbraw/zinc/95/78/70/1071957870.db2.gz DOWKYCBVCGTUSS-UHFFFAOYSA-N 0 3 377.449 -0.232 20 0 GBADHN CN(CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1O)CC(C)(C)C ZINC001683697166 1071959686 /nfs/dbraw/zinc/95/96/86/1071959686.db2.gz OXLAREXQWOXJSH-BARDWOONSA-N 0 3 382.505 -0.446 20 0 GBADHN O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019833 1071965979 /nfs/dbraw/zinc/96/59/79/1071965979.db2.gz SYNMYWWIQZAJHE-CABCVRRESA-N 0 3 388.476 -0.151 20 0 GBADHN O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019834 1071965988 /nfs/dbraw/zinc/96/59/88/1071965988.db2.gz SYNMYWWIQZAJHE-GJZGRUSLSA-N 0 3 388.476 -0.151 20 0 GBADHN O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019835 1071966150 /nfs/dbraw/zinc/96/61/50/1071966150.db2.gz SYNMYWWIQZAJHE-HUUCEWRRSA-N 0 3 388.476 -0.151 20 0 GBADHN O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019836 1071966086 /nfs/dbraw/zinc/96/60/86/1071966086.db2.gz SYNMYWWIQZAJHE-LSDHHAIUSA-N 0 3 388.476 -0.151 20 0 GBADHN O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC001684023813 1071966775 /nfs/dbraw/zinc/96/67/75/1071966775.db2.gz DWOSRIXWVHYNEO-AWEZNQCLSA-N 0 3 375.491 -0.521 20 0 GBADHN O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001684023814 1071967006 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ZINC001689205872 1072068278 /nfs/dbraw/zinc/06/82/78/1072068278.db2.gz JZAPPGQBXBFLKL-ZXXIGWHRSA-N 0 3 375.473 -0.013 20 0 GBADHN CN(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1cc(=O)n(C)c(=O)n1C ZINC001689816993 1072070573 /nfs/dbraw/zinc/07/05/73/1072070573.db2.gz XPOXFAQNRVOXKH-NMNMXBMNSA-N 0 3 376.457 -0.555 20 0 GBADHN O=C(CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCC(=O)N1CCCC1 ZINC001690283550 1072073697 /nfs/dbraw/zinc/07/36/97/1072073697.db2.gz PWRIMNKCIVSERS-HMDWEJDISA-N 0 3 390.484 -0.615 20 0 GBADHN CC(C)(C)NC(=O)CNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001690289315 1072074063 /nfs/dbraw/zinc/07/40/63/1072074063.db2.gz BIHDHNXKBHXAHP-RYPNDVFKSA-N 0 3 380.489 -0.178 20 0 GBADHN CNC(=O)C1CCN(C(=O)CN[C@@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001690603700 1072075068 /nfs/dbraw/zinc/07/50/68/1072075068.db2.gz GORXEDXAUULHJG-JHMDWKRSSA-N 0 3 392.500 -0.511 20 0 GBADHN 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CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001690657901 1072075099 /nfs/dbraw/zinc/07/50/99/1072075099.db2.gz XPGMTBORFLSCJV-FPCVCCKLSA-N 0 3 380.489 -0.366 20 0 GBADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001690657902 1072075200 /nfs/dbraw/zinc/07/52/00/1072075200.db2.gz XPGMTBORFLSCJV-JJXSEGSLSA-N 0 3 380.489 -0.366 20 0 GBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001691020939 1072266884 /nfs/dbraw/zinc/26/68/84/1072266884.db2.gz ONSPLXKJHLINTF-GBJTYRQASA-N 0 3 376.461 -0.004 20 0 GBADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCC(=O)N(C)C2CC2)C1 ZINC001691370363 1072255644 /nfs/dbraw/zinc/25/56/44/1072255644.db2.gz NNDLLYRAJQEIIL-SYAUCNOPSA-N 0 3 380.489 -0.143 20 0 GBADHN COC[C@H](C)NC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691400255 1072258436 /nfs/dbraw/zinc/25/84/36/1072258436.db2.gz OACZESXFBJWCOU-GNIPQWQFSA-N 0 3 382.461 -0.682 20 0 GBADHN COC[C@@H](C)NC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691400256 1072258293 /nfs/dbraw/zinc/25/82/93/1072258293.db2.gz OACZESXFBJWCOU-ULSDXFBPSA-N 0 3 382.461 -0.682 20 0 GBADHN C[C@@H](NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N(C)C ZINC001691453327 1072551829 /nfs/dbraw/zinc/55/18/29/1072551829.db2.gz YFACMRFVGHOGSF-LCZMYARRSA-N 0 3 392.500 -0.513 20 0 GBADHN C[C@H](NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N(C)C ZINC001691453328 1072551951 /nfs/dbraw/zinc/55/19/51/1072551951.db2.gz YFACMRFVGHOGSF-RQUIDSGVSA-N 0 3 392.500 -0.513 20 0 GBADHN C[C@@H](NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)C(=O)N(C)C ZINC001691463011 1072560576 /nfs/dbraw/zinc/56/05/76/1072560576.db2.gz DHGNMEQBWSEDOL-AQGHMYMLSA-N 0 3 380.489 -0.369 20 0 GBADHN C[C@H](NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)C(=O)N(C)C ZINC001691463012 1072560290 /nfs/dbraw/zinc/56/02/90/1072560290.db2.gz DHGNMEQBWSEDOL-IJOLSIAMSA-N 0 3 380.489 -0.369 20 0 GBADHN CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CNCC(=O)Nc1cc(C)no1 ZINC001691766221 1073205952 /nfs/dbraw/zinc/20/59/52/1073205952.db2.gz QRRIKQKYGQTHQC-YIYPIFLZSA-N 0 3 393.444 -0.504 20 0 GBADHN CCCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001691840859 1072078201 /nfs/dbraw/zinc/07/82/01/1072078201.db2.gz JOCBAIXSTHMIJL-RQJABVFESA-N 0 3 381.477 -0.440 20 0 GBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691970986 1072078760 /nfs/dbraw/zinc/07/87/60/1072078760.db2.gz BBLGAGHGGMXLHM-PNBKFKSVSA-N 0 3 385.472 -0.033 20 0 GBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001691970986 1072078752 /nfs/dbraw/zinc/07/87/52/1072078752.db2.gz BBLGAGHGGMXLHM-PNBKFKSVSA-N 0 3 385.472 -0.033 20 0 GBADHN C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H](CNCC(=O)N2CCNC(=O)C2)C1 ZINC001692072513 1072078708 /nfs/dbraw/zinc/07/87/08/1072078708.db2.gz ZEZGXNBYZBOEDP-QZNHQWIBSA-N 0 3 378.473 -0.802 20 0 GBADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCC(=O)NCC2CC2)C1 ZINC001692085761 1072080018 /nfs/dbraw/zinc/08/00/18/1072080018.db2.gz FAVCQSIFUPKYSL-SYAUCNOPSA-N 0 3 380.489 -0.238 20 0 GBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001692086265 1072080188 /nfs/dbraw/zinc/08/01/88/1072080188.db2.gz QFSFPJBHQSEULT-MQYQWHSLSA-N 0 3 381.477 -0.440 20 0 GBADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](CNCC(=O)N2CCNC(=O)C2)C1 ZINC001692086446 1072080240 /nfs/dbraw/zinc/08/02/40/1072080240.db2.gz YEOJXTMPHGKJBF-JJTUDDRGSA-N 0 3 392.500 -0.271 20 0 GBADHN COCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001692132582 1072079982 /nfs/dbraw/zinc/07/99/82/1072079982.db2.gz AKZCPROVUSDCFD-RVSPLBMKSA-N 0 3 380.445 -0.024 20 0 GBADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H](N(CCO)CCN2CCNC2=O)C1 ZINC001692241177 1072081429 /nfs/dbraw/zinc/08/14/29/1072081429.db2.gz GIKUNHXWARZKRR-HZMVEIRTSA-N 0 3 380.489 -0.136 20 0 GBADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H](N(CCO)CCN2CCNC2=O)C1 ZINC001692241182 1072081225 /nfs/dbraw/zinc/08/12/25/1072081225.db2.gz GIKUNHXWARZKRR-VQHPVUNQSA-N 0 3 380.489 -0.136 20 0 GBADHN NC(=O)NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001692326229 1072081041 /nfs/dbraw/zinc/08/10/41/1072081041.db2.gz QWJBODUEVGJVOS-KNCOVGOOSA-N 0 3 382.461 -0.406 20 0 GBADHN NC(=O)NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001692326230 1072080784 /nfs/dbraw/zinc/08/07/84/1072080784.db2.gz QWJBODUEVGJVOS-RZLSGREXSA-N 0 3 382.461 -0.406 20 0 GBADHN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)N(C)C ZINC001692806173 1072087335 /nfs/dbraw/zinc/08/73/35/1072087335.db2.gz RVLBTXDIZYIBBF-NEPJUHHUSA-N 0 3 392.551 -0.593 20 0 GBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H](C)N(C)C ZINC001692806175 1072087546 /nfs/dbraw/zinc/08/75/46/1072087546.db2.gz RVLBTXDIZYIBBF-NWDGAFQWSA-N 0 3 392.551 -0.593 20 0 GBADHN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)N(C)C ZINC001692806177 1072087386 /nfs/dbraw/zinc/08/73/86/1072087386.db2.gz RVLBTXDIZYIBBF-RYUDHWBXSA-N 0 3 392.551 -0.593 20 0 GBADHN C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)N(C)C ZINC001692806178 1072087649 /nfs/dbraw/zinc/08/76/49/1072087649.db2.gz RVLBTXDIZYIBBF-VXGBXAGGSA-N 0 3 392.551 -0.593 20 0 GBADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCNS(C)(=O)=O ZINC001693506200 1072090803 /nfs/dbraw/zinc/09/08/03/1072090803.db2.gz FBSMXVJEETUHFC-ZDUSSCGKSA-N 0 3 386.522 -0.175 20 0 GBADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001693517532 1072091634 /nfs/dbraw/zinc/09/16/34/1072091634.db2.gz GXTCPTFGJPTNDD-GOSISDBHSA-N 0 3 378.477 -0.518 20 0 GBADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001693517533 1072091488 /nfs/dbraw/zinc/09/14/88/1072091488.db2.gz GXTCPTFGJPTNDD-SFHVURJKSA-N 0 3 378.477 -0.518 20 0 GBADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693518784 1072091729 /nfs/dbraw/zinc/09/17/29/1072091729.db2.gz QIAOUXSVYFBJKU-OAHLLOKOSA-N 0 3 375.477 -0.390 20 0 GBADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CCOCC1 ZINC001693518898 1072091468 /nfs/dbraw/zinc/09/14/68/1072091468.db2.gz RUYFRUJCHLPQMU-INIZCTEOSA-N 0 3 392.504 -0.129 20 0 GBADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CCOCC1 ZINC001693518899 1072092009 /nfs/dbraw/zinc/09/20/09/1072092009.db2.gz RUYFRUJCHLPQMU-MRXNPFEDSA-N 0 3 392.504 -0.129 20 0 GBADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001693519106 1072092250 /nfs/dbraw/zinc/09/22/50/1072092250.db2.gz JLMKEFFOBWPIGA-HNNXBMFYSA-N 0 3 388.476 -0.102 20 0 GBADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001693519110 1072092501 /nfs/dbraw/zinc/09/25/01/1072092501.db2.gz JLMKEFFOBWPIGA-OAHLLOKOSA-N 0 3 388.476 -0.102 20 0 GBADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693519267 1072092659 /nfs/dbraw/zinc/09/26/59/1072092659.db2.gz WFBBQGDTQIVELG-CABCVRRESA-N 0 3 375.477 -0.392 20 0 GBADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693519276 1072092141 /nfs/dbraw/zinc/09/21/41/1072092141.db2.gz WFBBQGDTQIVELG-HUUCEWRRSA-N 0 3 375.477 -0.392 20 0 GBADHN Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCN1CC=CCC1 ZINC001693519284 1072092486 /nfs/dbraw/zinc/09/24/86/1072092486.db2.gz WLYYNRYLWHLPHF-UHFFFAOYSA-N 0 3 386.464 -0.816 20 0 GBADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001693521862 1072092617 /nfs/dbraw/zinc/09/26/17/1072092617.db2.gz XSHQQTRUHBDWSC-INIZCTEOSA-N 0 3 378.477 -0.396 20 0 GBADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001693521873 1072092578 /nfs/dbraw/zinc/09/25/78/1072092578.db2.gz XSHQQTRUHBDWSC-MRXNPFEDSA-N 0 3 378.477 -0.396 20 0 GBADHN CCCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001695436519 1072101210 /nfs/dbraw/zinc/10/12/10/1072101210.db2.gz OTDOTWMBHDXIPU-UHFFFAOYSA-N 0 3 377.493 -0.143 20 0 GBADHN CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001695495598 1072101804 /nfs/dbraw/zinc/10/18/04/1072101804.db2.gz DNEUNNFMEMJYCS-HNNXBMFYSA-N 0 3 377.493 -0.192 20 0 GBADHN CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001695495613 1072101861 /nfs/dbraw/zinc/10/18/61/1072101861.db2.gz DNEUNNFMEMJYCS-OAHLLOKOSA-N 0 3 377.493 -0.192 20 0 GBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2COCCO2)CC1 ZINC001695644964 1072103176 /nfs/dbraw/zinc/10/31/76/1072103176.db2.gz OISZUPFUFAYSFE-INIZCTEOSA-N 0 3 380.493 -0.008 20 0 GBADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001695870351 1072104214 /nfs/dbraw/zinc/10/42/14/1072104214.db2.gz WDLCKLSTVQYRSC-GDBMZVCRSA-N 0 3 379.509 -0.436 20 0 GBADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001695870352 1072103874 /nfs/dbraw/zinc/10/38/74/1072103874.db2.gz WDLCKLSTVQYRSC-GOEBONIOSA-N 0 3 379.509 -0.436 20 0 GBADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001695870354 1072104157 /nfs/dbraw/zinc/10/41/57/1072104157.db2.gz WDLCKLSTVQYRSC-HOCLYGCPSA-N 0 3 379.509 -0.436 20 0 GBADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001695870356 1072103987 /nfs/dbraw/zinc/10/39/87/1072103987.db2.gz WDLCKLSTVQYRSC-ZBFHGGJFSA-N 0 3 379.509 -0.436 20 0 GBADHN CCN1CCN(CCCn2c(C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001695900797 1072103967 /nfs/dbraw/zinc/10/39/67/1072103967.db2.gz VDFNWAPMVYQATE-IAGOWNOFSA-N 0 3 394.520 -0.026 20 0 GBADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)CCOC)CCO1 ZINC001696971983 1072116239 /nfs/dbraw/zinc/11/62/39/1072116239.db2.gz ZSGYDLUFJHCAEB-CABCVRRESA-N 0 3 396.492 -0.689 20 0 GBADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)CCOC)CCO1 ZINC001696971984 1072116002 /nfs/dbraw/zinc/11/60/02/1072116002.db2.gz ZSGYDLUFJHCAEB-GJZGRUSLSA-N 0 3 396.492 -0.689 20 0 GBADHN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)CCOC)CCO1 ZINC001696971985 1072116185 /nfs/dbraw/zinc/11/61/85/1072116185.db2.gz ZSGYDLUFJHCAEB-HUUCEWRRSA-N 0 3 396.492 -0.689 20 0 GBADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)CCOC)CCO1 ZINC001696971986 1072116018 /nfs/dbraw/zinc/11/60/18/1072116018.db2.gz ZSGYDLUFJHCAEB-LSDHHAIUSA-N 0 3 396.492 -0.689 20 0 GBADHN COCCN(C)CCn1c(C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001698026739 1072123466 /nfs/dbraw/zinc/12/34/66/1072123466.db2.gz HLLIYIABNQBTAX-HNNXBMFYSA-N 0 3 388.538 -0.070 20 0 GBADHN COCCN(C)CCn1c(C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001698026742 1072123511 /nfs/dbraw/zinc/12/35/11/1072123511.db2.gz HLLIYIABNQBTAX-OAHLLOKOSA-N 0 3 388.538 -0.070 20 0 GBADHN COCCN(C)CCn1c(C)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001698027199 1072123676 /nfs/dbraw/zinc/12/36/76/1072123676.db2.gz LNWCRWAENYXRNE-UHFFFAOYSA-N 0 3 381.525 -0.189 20 0 GBADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001698031829 1072123366 /nfs/dbraw/zinc/12/33/66/1072123366.db2.gz RYMLTHGKSIEWAL-CYBMUJFWSA-N 0 3 379.465 -0.914 20 0 GBADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001698031847 1072123656 /nfs/dbraw/zinc/12/36/56/1072123656.db2.gz RYMLTHGKSIEWAL-ZDUSSCGKSA-N 0 3 379.465 -0.914 20 0 GBADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001698032304 1072123444 /nfs/dbraw/zinc/12/34/44/1072123444.db2.gz XZGUKIYKWVDDHI-MCIONIFRSA-N 0 3 380.449 -0.631 20 0 GBADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001698032305 1072123518 /nfs/dbraw/zinc/12/35/18/1072123518.db2.gz XZGUKIYKWVDDHI-MELADBBJSA-N 0 3 380.449 -0.631 20 0 GBADHN