smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccc(C)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000588401006 1082142344 /nfs/dbraw/zinc/14/23/44/1082142344.db2.gz FHAQTMJVAVOZPU-WREUSQSKSA-N 1 1 312.457 3.341 10 0 DGAEMO C[C@H]([NH3+])c1nc(C(=O)N[C@@H](C)Cc2ccccc2Cl)cs1 ZINC000090947942 1093295164 /nfs/dbraw/zinc/29/51/64/1093295164.db2.gz WHESLRCFOZOMDV-UWVGGRQHSA-N 1 1 323.849 3.177 10 0 DGAEMO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616094 1093873732 /nfs/dbraw/zinc/87/37/32/1093873732.db2.gz OLRTXQIMFFUMTO-FOIQADDNSA-N 1 1 324.472 3.094 10 0 DGAEMO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616094 1093873738 /nfs/dbraw/zinc/87/37/38/1093873738.db2.gz OLRTXQIMFFUMTO-FOIQADDNSA-N 1 1 324.472 3.094 10 0 DGAEMO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616098 1093874275 /nfs/dbraw/zinc/87/42/75/1093874275.db2.gz OLRTXQIMFFUMTO-YWZLYKJASA-N 1 1 324.472 3.094 10 0 DGAEMO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616098 1093874279 /nfs/dbraw/zinc/87/42/79/1093874279.db2.gz OLRTXQIMFFUMTO-YWZLYKJASA-N 1 1 324.472 3.094 10 0 DGAEMO COC[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000721936589 1098192035 /nfs/dbraw/zinc/19/20/35/1098192035.db2.gz CKFOKCPIOJGART-IHPCNDPISA-N 1 1 318.505 3.405 10 0 DGAEMO Cc1[nH+]ccn1CCCCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081851537 192332021 /nfs/dbraw/zinc/33/20/21/192332021.db2.gz HUWUZRIAVUKKSO-SNAWJCMRSA-N 1 1 315.392 3.331 10 0 DGAEMO COCCOc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000181283095 199275929 /nfs/dbraw/zinc/27/59/29/199275929.db2.gz LYNCYRSHKZQWTN-GJYPPUQNSA-N 1 1 320.477 3.091 10 0 DGAEMO COCCOc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000181283095 199275930 /nfs/dbraw/zinc/27/59/30/199275930.db2.gz LYNCYRSHKZQWTN-GJYPPUQNSA-N 1 1 320.477 3.091 10 0 DGAEMO Cc1ncccc1C[N@@H+]1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000328631384 231267462 /nfs/dbraw/zinc/26/74/62/231267462.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 1 1 324.472 3.272 10 0 DGAEMO Cc1ncccc1CN1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000328631384 231267466 /nfs/dbraw/zinc/26/74/66/231267466.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 1 1 324.472 3.272 10 0 DGAEMO Cc1ncccc1CN1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000328631384 231267469 /nfs/dbraw/zinc/26/74/69/231267469.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 1 1 324.472 3.272 10 0 DGAEMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(C(F)=C3CCCC3)n1)OC2 ZINC000328823007 231359238 /nfs/dbraw/zinc/35/92/38/231359238.db2.gz GLKQFRHXUJEFSK-BLLLJJGKSA-N 1 1 307.369 3.250 10 0 DGAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(C(F)=C3CCCC3)n1)OC2 ZINC000328823007 231359239 /nfs/dbraw/zinc/35/92/39/231359239.db2.gz GLKQFRHXUJEFSK-BLLLJJGKSA-N 1 1 307.369 3.250 10 0 DGAEMO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1nccs1 ZINC000185087949 529625947 /nfs/dbraw/zinc/62/59/47/529625947.db2.gz GUSSHBKLFBRZFG-ZDUSSCGKSA-N 1 1 308.378 3.310 10 0 DGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000178991986 282213846 /nfs/dbraw/zinc/21/38/46/282213846.db2.gz XQGULDRJGXJSTA-HOTGVXAUSA-N 1 1 303.450 3.399 10 0 DGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000247121048 282212216 /nfs/dbraw/zinc/21/22/16/282212216.db2.gz RRHBYMVCAYTPPI-HDEZJCGLSA-N 1 1 318.465 3.190 10 0 DGAEMO CC[N@@H+](C)[C@@H](C(=O)N1CCc2cc(OC)ccc21)c1ccccc1 ZINC000103192731 432005861 /nfs/dbraw/zinc/00/58/61/432005861.db2.gz BVFHWOLIVXKDFU-LJQANCHMSA-N 1 1 324.424 3.277 10 0 DGAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1sccc1Br ZINC000092664894 185332763 /nfs/dbraw/zinc/33/27/63/185332763.db2.gz KEDKJNZZAWZUQL-NSHDSACASA-N 1 1 317.296 3.427 10 0 DGAEMO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092595091 185328398 /nfs/dbraw/zinc/32/83/98/185328398.db2.gz QEFQINKULRHROY-MRXNPFEDSA-N 1 1 319.474 3.180 10 0 DGAEMO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092595091 185328399 /nfs/dbraw/zinc/32/83/99/185328399.db2.gz QEFQINKULRHROY-MRXNPFEDSA-N 1 1 319.474 3.180 10 0 DGAEMO COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)cc2c1OCCO2 ZINC000092704008 185334304 /nfs/dbraw/zinc/33/43/04/185334304.db2.gz DWMLINYFKDMBDJ-UHFFFAOYSA-N 1 1 303.402 3.087 10 0 DGAEMO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000092757650 185338645 /nfs/dbraw/zinc/33/86/45/185338645.db2.gz PWOADZNJTKLQOY-AWEZNQCLSA-N 1 1 318.852 3.322 10 0 DGAEMO Cc1ccc2cccc(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c2n1 ZINC000092759885 185338777 /nfs/dbraw/zinc/33/87/77/185338777.db2.gz HHWKGWGBACNTQB-HOCLYGCPSA-N 1 1 324.428 3.244 10 0 DGAEMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1O ZINC000092788671 185341584 /nfs/dbraw/zinc/34/15/84/185341584.db2.gz ICTNHTCAANGBLH-CYBMUJFWSA-N 1 1 304.415 3.237 10 0 DGAEMO C[C@@H](CC(=O)N1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)cc1 ZINC000092884492 185348035 /nfs/dbraw/zinc/34/80/35/185348035.db2.gz BCSIFVSNVUVVAC-CQSZACIVSA-N 1 1 320.864 3.215 10 0 DGAEMO CCc1nc(C(C)(C)[NH2+]CCCc2cccc(OC)c2)no1 ZINC000441254081 529714495 /nfs/dbraw/zinc/71/44/95/529714495.db2.gz MEQJOLPRDNHRJW-UHFFFAOYSA-N 1 1 303.406 3.098 10 0 DGAEMO C[N@@H+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000434832470 529773866 /nfs/dbraw/zinc/77/38/66/529773866.db2.gz QWDUSCRKEROWQJ-SFHVURJKSA-N 1 1 322.412 3.158 10 0 DGAEMO C[N@H+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000434832470 529773867 /nfs/dbraw/zinc/77/38/67/529773867.db2.gz QWDUSCRKEROWQJ-SFHVURJKSA-N 1 1 322.412 3.158 10 0 DGAEMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065448691 432011494 /nfs/dbraw/zinc/01/14/94/432011494.db2.gz HPJVKQGRQABGAB-HOTGVXAUSA-N 1 1 321.461 3.049 10 0 DGAEMO CC(C)CC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000129958432 432011767 /nfs/dbraw/zinc/01/17/67/432011767.db2.gz CTBLTYKSIKFZTE-HOTGVXAUSA-N 1 1 309.498 3.327 10 0 DGAEMO O[C@H](C[C@@H]1CCC[N@H+]1CCO[C@@H]1CCCCO1)c1ccccc1 ZINC000181726244 199344757 /nfs/dbraw/zinc/34/47/57/199344757.db2.gz JVFURGOHSRMWTM-IPMKNSEASA-N 1 1 319.445 3.118 10 0 DGAEMO CN(CCc1ccc(F)cc1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066050716 432013858 /nfs/dbraw/zinc/01/38/58/432013858.db2.gz XXLVUGSAZFZEBB-GOSISDBHSA-N 1 1 314.404 3.130 10 0 DGAEMO COC(=O)c1ccc(F)c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000181891850 199364385 /nfs/dbraw/zinc/36/43/85/199364385.db2.gz IGGSHGBVENFICX-UHFFFAOYSA-N 1 1 323.408 3.249 10 0 DGAEMO Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000130099375 432015809 /nfs/dbraw/zinc/01/58/09/432015809.db2.gz WJSSDVRLVLHVKD-IRXDYDNUSA-N 1 1 303.450 3.304 10 0 DGAEMO C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020504 /nfs/dbraw/zinc/02/05/04/432020504.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 1 1 318.436 3.347 10 0 DGAEMO C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020506 /nfs/dbraw/zinc/02/05/06/432020506.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 1 1 318.436 3.347 10 0 DGAEMO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020510 /nfs/dbraw/zinc/02/05/10/432020510.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 1 1 318.436 3.347 10 0 DGAEMO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020513 /nfs/dbraw/zinc/02/05/13/432020513.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 1 1 318.436 3.347 10 0 DGAEMO Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171731 432020517 /nfs/dbraw/zinc/02/05/17/432020517.db2.gz JGHVHYLWYKMZSR-ZDUSSCGKSA-N 1 1 322.815 3.025 10 0 DGAEMO COc1cccc2c(NCCc3cnn(C)c3C)cc(C)[nH+]c12 ZINC000130379015 432023062 /nfs/dbraw/zinc/02/30/62/432023062.db2.gz IWNWDNWYHJTJOG-UHFFFAOYSA-N 1 1 310.401 3.248 10 0 DGAEMO CCC[N@H+](CC(=O)Nc1cccc(F)c1)C[C@H]1CCCCO1 ZINC000106866576 432023348 /nfs/dbraw/zinc/02/33/48/432023348.db2.gz ICXHCROICPHJGS-MRXNPFEDSA-N 1 1 308.397 3.045 10 0 DGAEMO CNC(=O)c1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000066874482 432023901 /nfs/dbraw/zinc/02/39/01/432023901.db2.gz XBGVTFQEGPTMQJ-UHFFFAOYSA-N 1 1 319.408 3.086 10 0 DGAEMO CNC(=O)c1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000066874482 432023904 /nfs/dbraw/zinc/02/39/04/432023904.db2.gz XBGVTFQEGPTMQJ-UHFFFAOYSA-N 1 1 319.408 3.086 10 0 DGAEMO C[C@H](O)C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000130420165 432024289 /nfs/dbraw/zinc/02/42/89/432024289.db2.gz WNWPXCSFJODUDZ-NSHDSACASA-N 1 1 303.324 3.178 10 0 DGAEMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152412568 186070053 /nfs/dbraw/zinc/07/00/53/186070053.db2.gz CIAQFYCDSTYNRE-CQSZACIVSA-N 1 1 300.381 3.132 10 0 DGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C/SCc1ccco1 ZINC000152474558 186077354 /nfs/dbraw/zinc/07/73/54/186077354.db2.gz YPBCBVVLPLUHHM-FSQQNCNXSA-N 1 1 320.458 3.112 10 0 DGAEMO CC(=O)c1ccccc1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179708181 186208345 /nfs/dbraw/zinc/20/83/45/186208345.db2.gz VBELVXBOJZCBGG-HNNXBMFYSA-N 1 1 324.424 3.140 10 0 DGAEMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCC(=O)Nc2ccccc2Cl)C1 ZINC000187988014 186239622 /nfs/dbraw/zinc/23/96/22/186239622.db2.gz HRXXPSLLLJXOHP-DYVFJYSZSA-N 1 1 324.852 3.152 10 0 DGAEMO CC[C@H](C)Oc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171891669 198001935 /nfs/dbraw/zinc/00/19/35/198001935.db2.gz BMVNIOYVMXEGQF-GOEBONIOSA-N 1 1 317.433 3.176 10 0 DGAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCSc3ccccc3)C2)no1 ZINC000172177611 198052809 /nfs/dbraw/zinc/05/28/09/198052809.db2.gz KDSUKCFYMNLUSI-HNNXBMFYSA-N 1 1 317.458 3.425 10 0 DGAEMO CCn1c(C)nnc1C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000172323507 198079263 /nfs/dbraw/zinc/07/92/63/198079263.db2.gz ZHEVSHJLOBBFKF-LBPRGKRZSA-N 1 1 306.841 3.323 10 0 DGAEMO CCn1c(C)nnc1C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000172323507 198079264 /nfs/dbraw/zinc/07/92/64/198079264.db2.gz ZHEVSHJLOBBFKF-LBPRGKRZSA-N 1 1 306.841 3.323 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ncccc2C)C1 ZINC000172476883 198102824 /nfs/dbraw/zinc/10/28/24/198102824.db2.gz IVBYFLNMVBHWEF-CQSZACIVSA-N 1 1 313.405 3.018 10 0 DGAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)o1 ZINC000172593792 198119904 /nfs/dbraw/zinc/11/99/04/198119904.db2.gz ZWLDGBDDTLGKRV-MNOVXSKESA-N 1 1 307.781 3.314 10 0 DGAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)o1 ZINC000172594101 198120152 /nfs/dbraw/zinc/12/01/52/198120152.db2.gz GXZKNMGVNVEMFD-STQMWFEESA-N 1 1 304.365 3.083 10 0 DGAEMO Cc1ncsc1CC[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000172531954 198110901 /nfs/dbraw/zinc/11/09/01/198110901.db2.gz UTXGPQMVKOOFNT-OAHLLOKOSA-N 1 1 316.474 3.131 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)/C=C(\C)c2ccccc2)[C@H](C)C1 ZINC000172610768 198123521 /nfs/dbraw/zinc/12/35/21/198123521.db2.gz LKHIRYDXNDWNDT-RABPLZDSSA-N 1 1 300.446 3.279 10 0 DGAEMO C/C(=C\C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000172618912 198125344 /nfs/dbraw/zinc/12/53/44/198125344.db2.gz SIDLTZKGBMGHLE-ZTODGRRHSA-N 1 1 304.409 3.170 10 0 DGAEMO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000172622518 198127029 /nfs/dbraw/zinc/12/70/29/198127029.db2.gz GLDIBDDRNGFXHU-NJAFHUGGSA-N 1 1 314.473 3.438 10 0 DGAEMO CCc1nc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cs1 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O[C@@H](C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1F ZINC000193518690 662137058 /nfs/dbraw/zinc/13/70/58/662137058.db2.gz GEIRNGIKAUOSJI-ZANVPECISA-N 1 1 309.278 3.273 10 0 DGAEMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000194721360 662172040 /nfs/dbraw/zinc/17/20/40/662172040.db2.gz XBBJPFPRXVWEKN-NSHDSACASA-N 1 1 318.364 3.123 10 0 DGAEMO CCCCOC[C@H](O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000195176492 662179475 /nfs/dbraw/zinc/17/94/75/662179475.db2.gz PLDSPHRGJSDNTO-JFRXWTBNSA-N 1 1 321.461 3.015 10 0 DGAEMO CCC[N@H+](C[C@H]1CCCCO1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000246351640 662255090 /nfs/dbraw/zinc/25/50/90/662255090.db2.gz NQFYXSADZHUCFE-QZTJIDSGSA-N 1 1 316.445 3.199 10 0 DGAEMO CCC[N@@H+](C[C@H]1CCCCO1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000246351640 662255092 /nfs/dbraw/zinc/25/50/92/662255092.db2.gz NQFYXSADZHUCFE-QZTJIDSGSA-N 1 1 316.445 3.199 10 0 DGAEMO COc1cc(OC)c(C[NH2+][C@H](C)c2cnc(C)s2)c(OC)c1 ZINC000090403420 662262109 /nfs/dbraw/zinc/26/21/09/662262109.db2.gz 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ZINC000365195343 287108694 /nfs/dbraw/zinc/10/86/94/287108694.db2.gz GLJWQVFKEWSEKK-MRXNPFEDSA-N 1 1 307.482 3.083 10 0 DGAEMO c1[nH]nc2cc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)ccc12 ZINC000192931652 165309969 /nfs/dbraw/zinc/30/99/69/165309969.db2.gz NIQXTSQNAYKYJS-GOSISDBHSA-N 1 1 320.440 3.175 10 0 DGAEMO c1[nH]nc2cc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000192931652 165309972 /nfs/dbraw/zinc/30/99/72/165309972.db2.gz NIQXTSQNAYKYJS-GOSISDBHSA-N 1 1 320.440 3.175 10 0 DGAEMO c1[nH]nc2cc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000192931652 165309978 /nfs/dbraw/zinc/30/99/78/165309978.db2.gz NIQXTSQNAYKYJS-GOSISDBHSA-N 1 1 320.440 3.175 10 0 DGAEMO C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000193615911 165328889 /nfs/dbraw/zinc/32/88/89/165328889.db2.gz HTTYQVVRSZNLKW-KDURUIRLSA-N 1 1 310.441 3.102 10 0 DGAEMO C[NH+]1C[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000193615911 165328894 /nfs/dbraw/zinc/32/88/94/165328894.db2.gz HTTYQVVRSZNLKW-KDURUIRLSA-N 1 1 310.441 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c1coc(-c2noc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2)c1 ZINC000195341407 165367705 /nfs/dbraw/zinc/36/77/05/165367705.db2.gz WEUFFVVAZGMGTN-NSHDSACASA-N 1 1 316.386 3.166 10 0 DGAEMO c1coc(-c2noc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2)c1 ZINC000195341407 165367708 /nfs/dbraw/zinc/36/77/08/165367708.db2.gz WEUFFVVAZGMGTN-NSHDSACASA-N 1 1 316.386 3.166 10 0 DGAEMO Clc1ccccc1OCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506577 165372477 /nfs/dbraw/zinc/37/24/77/165372477.db2.gz QTFNJXOVSORHHS-UHFFFAOYSA-N 1 1 305.809 3.322 10 0 DGAEMO C[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000221144489 165379484 /nfs/dbraw/zinc/37/94/84/165379484.db2.gz FYWBKQIKFPTVDZ-LBPRGKRZSA-N 1 1 304.768 3.125 10 0 DGAEMO C[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000221144489 165379487 /nfs/dbraw/zinc/37/94/87/165379487.db2.gz FYWBKQIKFPTVDZ-LBPRGKRZSA-N 1 1 304.768 3.125 10 0 DGAEMO CO[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C ZINC000221132338 165380387 /nfs/dbraw/zinc/38/03/87/165380387.db2.gz LKPFENVHOXIRHQ-IINYFYTJSA-N 1 1 316.214 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/nfs/dbraw/zinc/59/90/63/432599063.db2.gz HHKWMELXZOJWPN-KRWDZBQOSA-N 1 1 318.486 3.250 10 0 DGAEMO CCSCc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000195049359 432599071 /nfs/dbraw/zinc/59/90/71/432599071.db2.gz HHKWMELXZOJWPN-KRWDZBQOSA-N 1 1 318.486 3.250 10 0 DGAEMO O=C(c1ccc(Cl)c(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195075565 432599892 /nfs/dbraw/zinc/59/98/92/432599892.db2.gz FJOWZBQTLNYXMN-GFCCVEGCSA-N 1 1 313.228 3.304 10 0 DGAEMO O=C(c1ccc(Cl)c(Cl)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195075565 432599893 /nfs/dbraw/zinc/59/98/93/432599893.db2.gz FJOWZBQTLNYXMN-GFCCVEGCSA-N 1 1 313.228 3.304 10 0 DGAEMO CCn1c(C)nnc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000195086426 432600636 /nfs/dbraw/zinc/60/06/36/432600636.db2.gz MTODDSZLDDSZTI-UHFFFAOYSA-N 1 1 316.424 3.200 10 0 DGAEMO O=C(c1cc2cc(Cl)ccc2o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195082249 432601028 /nfs/dbraw/zinc/60/10/28/432601028.db2.gz ZOBIZGBLXYSZFK-CQSZACIVSA-N 1 1 318.804 3.397 10 0 DGAEMO O=C(c1cc2cc(Cl)ccc2o1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195082249 432601032 /nfs/dbraw/zinc/60/10/32/432601032.db2.gz ZOBIZGBLXYSZFK-CQSZACIVSA-N 1 1 318.804 3.397 10 0 DGAEMO Cn1c(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)nnc1C1CC1 ZINC000195087181 432602294 /nfs/dbraw/zinc/60/22/94/432602294.db2.gz XBPVSYULEZNLRJ-MRXNPFEDSA-N 1 1 314.408 3.039 10 0 DGAEMO Cn1c(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)nnc1C1CC1 ZINC000195087181 432602299 /nfs/dbraw/zinc/60/22/99/432602299.db2.gz XBPVSYULEZNLRJ-MRXNPFEDSA-N 1 1 314.408 3.039 10 0 DGAEMO CSc1ccc(Cl)c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195092084 432603017 /nfs/dbraw/zinc/60/30/17/432603017.db2.gz OEHYDXGUPZMXGJ-GFCCVEGCSA-N 1 1 324.877 3.372 10 0 DGAEMO CSc1ccc(Cl)c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000195092084 432603020 /nfs/dbraw/zinc/60/30/20/432603020.db2.gz OEHYDXGUPZMXGJ-GFCCVEGCSA-N 1 1 324.877 3.372 10 0 DGAEMO C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cccc2ccccc21 ZINC000177244657 432603297 /nfs/dbraw/zinc/60/32/97/432603297.db2.gz UUWGTFXAUBSWAT-SJLPKXTDSA-N 1 1 312.457 3.337 10 0 DGAEMO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000177244657 432603299 /nfs/dbraw/zinc/60/32/99/432603299.db2.gz UUWGTFXAUBSWAT-SJLPKXTDSA-N 1 1 312.457 3.337 10 0 DGAEMO CC(C)n1nnnc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000195105592 432603930 /nfs/dbraw/zinc/60/39/30/432603930.db2.gz SMFRPGXSQMXMNH-HNNXBMFYSA-N 1 1 305.401 3.270 10 0 DGAEMO CN(CC1CC1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157392524 432619206 /nfs/dbraw/zinc/61/92/06/432619206.db2.gz UVTCZLQLCLKJQQ-IBGZPJMESA-N 1 1 315.461 3.093 10 0 DGAEMO O=C(c1ccccc1Oc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195315054 432619444 /nfs/dbraw/zinc/61/94/44/432619444.db2.gz AWIPOHCPGALWJS-MRXNPFEDSA-N 1 1 322.408 3.399 10 0 DGAEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CCCOC(C)C)C2)c1 ZINC000177421684 432624127 /nfs/dbraw/zinc/62/41/27/432624127.db2.gz ZFVYEGYRBYLBCE-OAHLLOKOSA-N 1 1 307.434 3.308 10 0 DGAEMO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000177451041 432624692 /nfs/dbraw/zinc/62/46/92/432624692.db2.gz LFUACXCKMIEFIC-APWZRJJASA-N 1 1 308.425 3.008 10 0 DGAEMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)NC2CCC(C)CC2)s1 ZINC000157663093 432626450 /nfs/dbraw/zinc/62/64/50/432626450.db2.gz DHYPWQLPVOATSA-HNFVBEJKSA-N 1 1 323.506 3.009 10 0 DGAEMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)NC2CCC(C)CC2)s1 ZINC000157663093 432626453 /nfs/dbraw/zinc/62/64/53/432626453.db2.gz DHYPWQLPVOATSA-HNFVBEJKSA-N 1 1 323.506 3.009 10 0 DGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CCC2 ZINC000177510095 432631691 /nfs/dbraw/zinc/63/16/91/432631691.db2.gz ITSSJDHURSNBLX-ZWKOTPCHSA-N 1 1 313.445 3.266 10 0 DGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000177547803 432636711 /nfs/dbraw/zinc/63/67/11/432636711.db2.gz YRLJSQFLNAAKOH-LSDHHAIUSA-N 1 1 323.506 3.052 10 0 DGAEMO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)cs1 ZINC000177608225 432642217 /nfs/dbraw/zinc/64/22/17/432642217.db2.gz FDMOOIBJFAZQOK-CYBMUJFWSA-N 1 1 323.506 3.080 10 0 DGAEMO c1ccc(CCCC[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000187096215 432644461 /nfs/dbraw/zinc/64/44/61/432644461.db2.gz RXTJYMBCOAUWJM-FQEVSTJZSA-N 1 1 316.489 3.196 10 0 DGAEMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000158464287 432645767 /nfs/dbraw/zinc/64/57/67/432645767.db2.gz FMYBEHANNAHNAE-QGZVFWFLSA-N 1 1 319.445 3.379 10 0 DGAEMO COC[C@H](C)C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187114148 432647428 /nfs/dbraw/zinc/64/74/28/432647428.db2.gz RGPBAMLWAOZDPP-OLZOCXBDSA-N 1 1 312.479 3.096 10 0 DGAEMO COC[C@H](C)C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187114148 432647431 /nfs/dbraw/zinc/64/74/31/432647431.db2.gz RGPBAMLWAOZDPP-OLZOCXBDSA-N 1 1 312.479 3.096 10 0 DGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000177379335 432618198 /nfs/dbraw/zinc/61/81/98/432618198.db2.gz ACCQXEUWEHFXGS-DOTOQJQBSA-N 1 1 303.450 3.182 10 0 DGAEMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)COCc1ccccc1OC ZINC000157329287 432618676 /nfs/dbraw/zinc/61/86/76/432618676.db2.gz VMEUFTPHZNSPRC-ROUUACIJSA-N 1 1 321.461 3.227 10 0 DGAEMO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1nnc3n1CCCC3)CCC2 ZINC000131068457 282045911 /nfs/dbraw/zinc/04/59/11/282045911.db2.gz SBBYMYVMYPWBEH-ZYHUDNBSSA-N 1 1 317.462 3.108 10 0 DGAEMO Cc1cnn(CCCCC[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000159078033 432668748 /nfs/dbraw/zinc/66/87/48/432668748.db2.gz LUDKYFPNPZPDAL-GOSISDBHSA-N 1 1 317.433 3.337 10 0 DGAEMO Cc1cnn(CCCCC[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000159078033 432668753 /nfs/dbraw/zinc/66/87/53/432668753.db2.gz LUDKYFPNPZPDAL-GOSISDBHSA-N 1 1 317.433 3.337 10 0 DGAEMO C[N@H+]1CCC[C@@H]2CN(Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000158534664 432649853 /nfs/dbraw/zinc/64/98/53/432649853.db2.gz QDFQZRGXPFNSOK-KGLIPLIRSA-N 1 1 307.507 3.357 10 0 DGAEMO CCc1oc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1C ZINC000177705584 432652121 /nfs/dbraw/zinc/65/21/21/432652121.db2.gz OTTDFCXOHVROPH-UHFFFAOYSA-N 1 1 304.434 3.241 10 0 DGAEMO Cc1csc([C@@H]2CCC[N@H+]([C@@H]3CCCN(C(C)C)C3=O)C2)n1 ZINC000177697352 432652335 /nfs/dbraw/zinc/65/23/35/432652335.db2.gz RCXHJVQQESHRET-HUUCEWRRSA-N 1 1 321.490 3.030 10 0 DGAEMO FC(F)n1c2ccccc2nc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177757911 432657486 /nfs/dbraw/zinc/65/74/86/432657486.db2.gz RISUAXUFVWJRDI-CYBMUJFWSA-N 1 1 320.387 3.102 10 0 DGAEMO CCc1nc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)sc1C ZINC000177869054 432669883 /nfs/dbraw/zinc/66/98/83/432669883.db2.gz OYYGGLIIZJKBIL-FZMZJTMJSA-N 1 1 324.494 3.208 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000177858040 432667797 /nfs/dbraw/zinc/66/77/97/432667797.db2.gz ZFEZWGPEMVQFGE-OCCSQVGLSA-N 1 1 324.494 3.461 10 0 DGAEMO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187911243 432693636 /nfs/dbraw/zinc/69/36/36/432693636.db2.gz ZOYLABRGIOSAON-SJCJKPOMSA-N 1 1 324.852 3.070 10 0 DGAEMO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187915699 432694105 /nfs/dbraw/zinc/69/41/05/432694105.db2.gz DRBUIFVSBMHUFM-IFXJQAMLSA-N 1 1 319.445 3.271 10 0 DGAEMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2csc(Br)c2)C1 ZINC000187939712 432694856 /nfs/dbraw/zinc/69/48/56/432694856.db2.gz PZHWXUAMZZDPQL-GXFFZTMASA-N 1 1 318.280 3.494 10 0 DGAEMO C[C@H](O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000225790331 432696997 /nfs/dbraw/zinc/69/69/97/432696997.db2.gz PAOVPFYQYWNRFR-JTQLQIEISA-N 1 1 316.214 3.181 10 0 DGAEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000188005454 432699195 /nfs/dbraw/zinc/69/91/95/432699195.db2.gz LCHOAFPJDVFOOW-FZKQIMNGSA-N 1 1 318.392 3.464 10 0 DGAEMO Cc1nc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000274816087 432711961 /nfs/dbraw/zinc/71/19/61/432711961.db2.gz IYFRXAUWLZGUCS-KDOFPFPSSA-N 1 1 313.445 3.292 10 0 DGAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000178288121 432717450 /nfs/dbraw/zinc/71/74/50/432717450.db2.gz ASZXDNYKUAEVCR-GOSISDBHSA-N 1 1 306.413 3.404 10 0 DGAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316756 432719718 /nfs/dbraw/zinc/71/97/18/432719718.db2.gz GWVCFBABZXQVJJ-IBGZPJMESA-N 1 1 321.428 3.042 10 0 DGAEMO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]n1)CCCO2 ZINC000177954623 432677467 /nfs/dbraw/zinc/67/74/67/432677467.db2.gz KZWLZEQFRGIKTK-CYBMUJFWSA-N 1 1 322.206 3.176 10 0 DGAEMO CC(C)[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(F)c(F)c1 ZINC000187704542 432677576 /nfs/dbraw/zinc/67/75/76/432677576.db2.gz SSRHYWWMXYSZAI-HNNXBMFYSA-N 1 1 308.328 3.144 10 0 DGAEMO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@@H](C)Cc1ccsc1 ZINC000187784452 432684592 /nfs/dbraw/zinc/68/45/92/432684592.db2.gz ZGBDMCURGZFEKX-LBPRGKRZSA-N 1 1 304.463 3.436 10 0 DGAEMO CC[N@@H+](Cc1nnc(C)n1C1CC1)[C@@H](C)Cc1ccsc1 ZINC000187784452 432684594 /nfs/dbraw/zinc/68/45/94/432684594.db2.gz ZGBDMCURGZFEKX-LBPRGKRZSA-N 1 1 304.463 3.436 10 0 DGAEMO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)s1 ZINC000178075749 432691750 /nfs/dbraw/zinc/69/17/50/432691750.db2.gz PSIPYDWJGRQNLZ-KOLCDFICSA-N 1 1 305.451 3.100 10 0 DGAEMO COc1ccccc1CC[N@@H+](C)CCOCC(F)(F)C(F)F ZINC000189117116 432764742 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CC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000450904135 434473766 /nfs/dbraw/zinc/47/37/66/434473766.db2.gz BEAJYPJECFXCCT-ZRGWGRIASA-N 1 1 317.429 3.048 10 0 DGAEMO CC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000450904135 434473773 /nfs/dbraw/zinc/47/37/73/434473773.db2.gz BEAJYPJECFXCCT-ZRGWGRIASA-N 1 1 317.429 3.048 10 0 DGAEMO CC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000450904133 434474482 /nfs/dbraw/zinc/47/44/82/434474482.db2.gz BEAJYPJECFXCCT-VCBZYWHSSA-N 1 1 317.429 3.048 10 0 DGAEMO CC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000450904133 434474493 /nfs/dbraw/zinc/47/44/93/434474493.db2.gz BEAJYPJECFXCCT-VCBZYWHSSA-N 1 1 317.429 3.048 10 0 DGAEMO Cc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000399678051 434479162 /nfs/dbraw/zinc/47/91/62/434479162.db2.gz PCHHSPPGIBYHNN-WIYYLYMNSA-N 1 1 323.484 3.433 10 0 DGAEMO C[C@@H](NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400334717 434486087 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C[C@H]1C[C@@H](Nc2ccnc3cccnc32)C[N@H+]1Cc1ccccc1 ZINC000398093207 434455060 /nfs/dbraw/zinc/45/50/60/434455060.db2.gz WSGXDGZKWFDYRW-DOTOQJQBSA-N 1 1 318.424 3.127 10 0 DGAEMO c1cn(-c2csc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)c2)cn1 ZINC000348712724 434456347 /nfs/dbraw/zinc/45/63/47/434456347.db2.gz JKGZEUGJRNIFCM-INIZCTEOSA-N 1 1 313.430 3.384 10 0 DGAEMO c1cn(-c2csc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)c2)cn1 ZINC000348712724 434456356 /nfs/dbraw/zinc/45/63/56/434456356.db2.gz JKGZEUGJRNIFCM-INIZCTEOSA-N 1 1 313.430 3.384 10 0 DGAEMO CO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000366815243 434514925 /nfs/dbraw/zinc/51/49/25/434514925.db2.gz ASDMFLNBZLUKPS-DGDSNLKDSA-N 1 1 314.473 3.339 10 0 DGAEMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc(C)n2)c(OC)c1 ZINC000366880015 434528653 /nfs/dbraw/zinc/52/86/53/434528653.db2.gz OYIGKSJPXMHVRC-KRWDZBQOSA-N 1 1 313.401 3.139 10 0 DGAEMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(C)n2)c(OC)c1 ZINC000366880015 434528663 /nfs/dbraw/zinc/52/86/63/434528663.db2.gz OYIGKSJPXMHVRC-KRWDZBQOSA-N 1 1 313.401 3.139 10 0 DGAEMO CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000408206614 434552529 /nfs/dbraw/zinc/55/25/29/434552529.db2.gz BWGCBLSOUCMKKK-MNOVXSKESA-N 1 1 323.824 3.099 10 0 DGAEMO Cn1cncc1CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000459373064 434567740 /nfs/dbraw/zinc/56/77/40/434567740.db2.gz MFIUPUHANUDNKS-UHFFFAOYSA-N 1 1 301.821 3.405 10 0 DGAEMO Cc1nc(C)c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)s1 ZINC000526020828 295051664 /nfs/dbraw/zinc/05/16/64/295051664.db2.gz JXFIXBYOZVNLPB-LLVKDONJSA-N 1 1 318.446 3.350 10 0 DGAEMO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493698 295099361 /nfs/dbraw/zinc/09/93/61/295099361.db2.gz VMKJZGBHEBXUIG-AEFFLSMTSA-N 1 1 302.393 3.174 10 0 DGAEMO c1cnc(N2CCC[C@H](Nc3[nH+]ccc4ccccc43)C2)nc1 ZINC000527851780 295140390 /nfs/dbraw/zinc/14/03/90/295140390.db2.gz MTXWHOATFXQRFH-HNNXBMFYSA-N 1 1 305.385 3.106 10 0 DGAEMO CCn1nncc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000459388041 434577417 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O=C(c1cccs1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041363933 183186429 /nfs/dbraw/zinc/18/64/29/183186429.db2.gz FZXZJUNOVAHYKZ-UHFFFAOYSA-N 1 1 306.456 3.158 10 0 DGAEMO CC[N@H+](Cc1ccc(Br)cc1)C[C@H](C)C(N)=S ZINC000042444613 183271416 /nfs/dbraw/zinc/27/14/16/183271416.db2.gz CFVJGMAUZILZKW-JTQLQIEISA-N 1 1 315.280 3.193 10 0 DGAEMO CCOc1ccc(C(C)=O)cc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246638723 432150077 /nfs/dbraw/zinc/15/00/77/432150077.db2.gz IDRLHGRRYKCAII-KSSFIOAISA-N 1 1 318.461 3.202 10 0 DGAEMO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000042978001 183324888 /nfs/dbraw/zinc/32/48/88/183324888.db2.gz VILVGFDMEPGMNV-UHFFFAOYSA-N 1 1 302.805 3.435 10 0 DGAEMO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000042978001 183324891 /nfs/dbraw/zinc/32/48/91/183324891.db2.gz VILVGFDMEPGMNV-UHFFFAOYSA-N 1 1 302.805 3.435 10 0 DGAEMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000104411567 194006858 /nfs/dbraw/zinc/00/68/58/194006858.db2.gz RBGMZIRSVFXAHA-KRWDZBQOSA-N 1 1 313.445 3.009 10 0 DGAEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000104711024 194029476 /nfs/dbraw/zinc/02/94/76/194029476.db2.gz MJFDBPCDJSTRCX-HNNXBMFYSA-N 1 1 318.461 3.007 10 0 DGAEMO Cc1cc2cc(NC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)ccc2[nH]1 ZINC000105038661 194067081 /nfs/dbraw/zinc/06/70/81/194067081.db2.gz MPKRNGKXAVPYCF-MRXNPFEDSA-N 1 1 312.417 3.178 10 0 DGAEMO O=C(Nc1cccc(C(F)F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105030891 194065184 /nfs/dbraw/zinc/06/51/84/194065184.db2.gz YTBBQUUAWAHEPJ-AWEZNQCLSA-N 1 1 309.360 3.326 10 0 DGAEMO CC[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000105120194 194076265 /nfs/dbraw/zinc/07/62/65/194076265.db2.gz LYLUSGPXKNCCMT-MRXNPFEDSA-N 1 1 321.852 3.281 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 ZINC000105853046 194146305 /nfs/dbraw/zinc/14/63/05/194146305.db2.gz XRBKEPHIFHOCTP-QGZVFWFLSA-N 1 1 311.429 3.160 10 0 DGAEMO CCCCc1noc([C@H](C)[NH+]2CCC(Cn3cccn3)CC2)n1 ZINC000105886988 194156986 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COc1c(C)cc(C[N@H+](C)CC(=O)N(C(C)C)C(C)C)cc1C ZINC000110287890 194320176 /nfs/dbraw/zinc/32/01/76/194320176.db2.gz BEPZVBVUDWGDOT-UHFFFAOYSA-N 1 1 320.477 3.389 10 0 DGAEMO COc1c(C)cc(C[N@@H+](C)CC(=O)N(C(C)C)C(C)C)cc1C ZINC000110287890 194320179 /nfs/dbraw/zinc/32/01/79/194320179.db2.gz BEPZVBVUDWGDOT-UHFFFAOYSA-N 1 1 320.477 3.389 10 0 DGAEMO O=C(N1CCC[N@H+](C2CC2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000061604858 184177196 /nfs/dbraw/zinc/17/71/96/184177196.db2.gz LLCODCPXRHMJJA-UHFFFAOYSA-N 1 1 318.848 3.068 10 0 DGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccc(F)c2)n1 ZINC000113271563 194577341 /nfs/dbraw/zinc/57/73/41/194577341.db2.gz KXAVOVSDSUVYLG-CXAGYDPISA-N 1 1 315.392 3.149 10 0 DGAEMO CC[C@H]([NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000248540564 285003881 /nfs/dbraw/zinc/00/38/81/285003881.db2.gz BHKKWMNMWCINTO-SYQHCUMBSA-N 1 1 309.479 3.077 10 0 DGAEMO CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248581875 285007939 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c1coc(-c2ncc(C[N@H+]3CCCN(C4CC4)CC3)s2)c1 ZINC000194363162 165344917 /nfs/dbraw/zinc/34/49/17/165344917.db2.gz QMMQRYHWJHZDBW-UHFFFAOYSA-N 1 1 303.431 3.073 10 0 DGAEMO Cc1csc([C@H]2CCC[N@H+](CC(=O)NCCC(C)(C)C)C2)n1 ZINC000195337475 165364656 /nfs/dbraw/zinc/36/46/56/165364656.db2.gz ZIJJEKHTZOHQHX-AWEZNQCLSA-N 1 1 323.506 3.183 10 0 DGAEMO Cc1csc([C@H]2CCC[N@@H+](CC(=O)NCCC(C)(C)C)C2)n1 ZINC000195337475 165364659 /nfs/dbraw/zinc/36/46/59/165364659.db2.gz ZIJJEKHTZOHQHX-AWEZNQCLSA-N 1 1 323.506 3.183 10 0 DGAEMO Cc1csc([C@@H]2CCC[N@H+](CC(=O)NCCC(C)(C)C)C2)n1 ZINC000195337467 165365749 /nfs/dbraw/zinc/36/57/49/165365749.db2.gz ZIJJEKHTZOHQHX-CQSZACIVSA-N 1 1 323.506 3.183 10 0 DGAEMO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)NCCC(C)(C)C)C2)n1 ZINC000195337467 165365752 /nfs/dbraw/zinc/36/57/52/165365752.db2.gz ZIJJEKHTZOHQHX-CQSZACIVSA-N 1 1 323.506 3.183 10 0 DGAEMO O[C@H](C[N@H+]1CCC[C@H](c2nccs2)C1)c1ccccc1F ZINC000195340681 165367680 /nfs/dbraw/zinc/36/76/80/165367680.db2.gz 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c1ccc(C[N@H+]2CCN[C@@H](c3ccc4ccncc4c3)C2)cc1 ZINC000616633081 400189112 /nfs/dbraw/zinc/18/91/12/400189112.db2.gz HNAIZOCCRCTBBG-HXUWFJFHSA-N 1 1 303.409 3.381 10 0 DGAEMO c1ccc(CN2CC[NH2+][C@@H](c3ccc4ccncc4c3)C2)cc1 ZINC000616633081 400189115 /nfs/dbraw/zinc/18/91/15/400189115.db2.gz HNAIZOCCRCTBBG-HXUWFJFHSA-N 1 1 303.409 3.381 10 0 DGAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCC[N@H+]2CCO)c1 ZINC000616608314 400182943 /nfs/dbraw/zinc/18/29/43/400182943.db2.gz PNKBPPMGTIWOMP-MRXNPFEDSA-N 1 1 320.433 3.187 10 0 DGAEMO Nc1cc(Cl)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000306685450 400125662 /nfs/dbraw/zinc/12/56/62/400125662.db2.gz JADXXYBORDYNSM-AWEZNQCLSA-N 1 1 302.809 3.004 10 0 DGAEMO C[C@@](CN)([C@H]1CCOC1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306948744 400127041 /nfs/dbraw/zinc/12/70/41/400127041.db2.gz AAPXMHFNBYDJPZ-LEWJYISDSA-N 1 1 324.468 3.443 10 0 DGAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCOCC[N@H+]2C)c1 ZINC000616659438 400195473 /nfs/dbraw/zinc/19/54/73/400195473.db2.gz 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CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Cl)cc1 ZINC000246982406 432187080 /nfs/dbraw/zinc/18/70/80/432187080.db2.gz ONODNGUMQRHCSE-SJORKVTESA-N 1 1 320.864 3.358 10 0 DGAEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccncc1 ZINC000171987775 432187922 /nfs/dbraw/zinc/18/79/22/432187922.db2.gz ITCODVVKDAHNLI-LBPRGKRZSA-N 1 1 303.793 3.367 10 0 DGAEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000171987775 432187925 /nfs/dbraw/zinc/18/79/25/432187925.db2.gz ITCODVVKDAHNLI-LBPRGKRZSA-N 1 1 303.793 3.367 10 0 DGAEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccncc1 ZINC000171987777 432188419 /nfs/dbraw/zinc/18/84/19/432188419.db2.gz ITCODVVKDAHNLI-GFCCVEGCSA-N 1 1 303.793 3.367 10 0 DGAEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000171987777 432188421 /nfs/dbraw/zinc/18/84/21/432188421.db2.gz ITCODVVKDAHNLI-GFCCVEGCSA-N 1 1 303.793 3.367 10 0 DGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1csc(CC(C)C)n1 ZINC000246982827 432188774 /nfs/dbraw/zinc/18/87/74/432188774.db2.gz 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DGAEMO CCN(C)C(=O)CC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000130525792 196087797 /nfs/dbraw/zinc/08/77/97/196087797.db2.gz FHKMSCWBBCSOJY-CQSZACIVSA-N 1 1 323.506 3.314 10 0 DGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000247121065 432203428 /nfs/dbraw/zinc/20/34/28/432203428.db2.gz RRHBYMVCAYTPPI-TXCZRRACSA-N 1 1 318.465 3.190 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2nc(C)cs2)C1 ZINC000130843434 196115556 /nfs/dbraw/zinc/11/55/56/196115556.db2.gz OKGNWHYQUKUSIE-GFCCVEGCSA-N 1 1 319.434 3.079 10 0 DGAEMO C[C@H](CC(=O)N1CCC[N@H+](C2CC2)CC1)c1cccc(F)c1 ZINC000172287037 432206696 /nfs/dbraw/zinc/20/66/96/432206696.db2.gz OGCOWFNPVUUQEG-CQSZACIVSA-N 1 1 304.409 3.016 10 0 DGAEMO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)o1 ZINC000182591873 432208170 /nfs/dbraw/zinc/20/81/70/432208170.db2.gz GGHOUFARZNTQDR-FZMZJTMJSA-N 1 1 320.339 3.322 10 0 DGAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000247182280 432209554 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C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CCCC1 ZINC000172591368 432223082 /nfs/dbraw/zinc/22/30/82/432223082.db2.gz QYJIQFLNHNEVFT-OAHLLOKOSA-N 1 1 307.482 3.225 10 0 DGAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182731818 432223178 /nfs/dbraw/zinc/22/31/78/432223178.db2.gz DGQBENXDFDZWEF-MRXNPFEDSA-N 1 1 316.424 3.249 10 0 DGAEMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131810327 196200813 /nfs/dbraw/zinc/20/08/13/196200813.db2.gz DEQXVYSXMWDCGE-SFHVURJKSA-N 1 1 321.428 3.456 10 0 DGAEMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)n[nH]2)cn1 ZINC000131974024 196215782 /nfs/dbraw/zinc/21/57/82/196215782.db2.gz FQNPVFOLSOAAHF-SFHVURJKSA-N 1 1 307.401 3.147 10 0 DGAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)n[nH]2)cn1 ZINC000131974024 196215783 /nfs/dbraw/zinc/21/57/83/196215783.db2.gz FQNPVFOLSOAAHF-SFHVURJKSA-N 1 1 307.401 3.147 10 0 DGAEMO C[C@@H]1C[C@H](N(C)C(=O)c2cncc(-c3ccccc3)c2)CC[N@H+]1C ZINC000132047689 196222060 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316.214 3.181 10 0 DGAEMO C(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)NC1CCCCCC1 ZINC000423274123 434328792 /nfs/dbraw/zinc/32/87/92/434328792.db2.gz JYSAGENPYNTVQE-BHIYHBOVSA-N 1 1 308.510 3.484 10 0 DGAEMO CC1=CC[N@H+](CCNCc2c(F)cccc2N2CCCC2)CC1 ZINC000358170612 434362804 /nfs/dbraw/zinc/36/28/04/434362804.db2.gz SEJPFDVNADEHKL-UHFFFAOYSA-N 1 1 317.452 3.168 10 0 DGAEMO CC1=CC[N@@H+](CCNCc2c(F)cccc2N2CCCC2)CC1 ZINC000358170612 434362814 /nfs/dbraw/zinc/36/28/14/434362814.db2.gz SEJPFDVNADEHKL-UHFFFAOYSA-N 1 1 317.452 3.168 10 0 DGAEMO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1O ZINC000390813669 434372489 /nfs/dbraw/zinc/37/24/89/434372489.db2.gz DTMQKMZEJXLXFW-QGZVFWFLSA-N 1 1 324.424 3.095 10 0 DGAEMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccsc1Br ZINC000388886066 434341462 /nfs/dbraw/zinc/34/14/62/434341462.db2.gz KSODIANZVVJAMS-KOLCDFICSA-N 1 1 304.253 3.246 10 0 DGAEMO CC[N@@H+]1CC[C@H](NCc2ccc(Br)c(Cl)c2)C1 ZINC000389159053 434342867 /nfs/dbraw/zinc/34/28/67/434342867.db2.gz AECIEXHZJSOTAO-NSHDSACASA-N 1 1 317.658 3.286 10 0 DGAEMO CC[N@H+]1CC[C@H](NCc2ccc(Br)c(Cl)c2)C1 ZINC000389159053 434342877 /nfs/dbraw/zinc/34/28/77/434342877.db2.gz AECIEXHZJSOTAO-NSHDSACASA-N 1 1 317.658 3.286 10 0 DGAEMO CC(C)n1cncc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389787263 434349989 /nfs/dbraw/zinc/34/99/89/434349989.db2.gz MUIFYCVNXQMABE-VQIMIIECSA-N 1 1 312.461 3.074 10 0 DGAEMO CCOC1CC2(C1)CC[N@H+](Cc1nc(C3CCCC3)no1)C2 ZINC000329066381 434355790 /nfs/dbraw/zinc/35/57/90/434355790.db2.gz LIZBWCRZFGTQEV-UHFFFAOYSA-N 1 1 305.422 3.118 10 0 DGAEMO CCOC1CC2(C1)CC[N@@H+](Cc1nc(C3CCCC3)no1)C2 ZINC000329066381 434355802 /nfs/dbraw/zinc/35/58/02/434355802.db2.gz LIZBWCRZFGTQEV-UHFFFAOYSA-N 1 1 305.422 3.118 10 0 DGAEMO C(=C/[C@H]1CCC[N@H+]1Cc1cn(CC2CC2)nn1)\c1ccccc1 ZINC000450715791 434360446 /nfs/dbraw/zinc/36/04/46/434360446.db2.gz XNGLZFMRIIFSAC-GNISGLHKSA-N 1 1 308.429 3.366 10 0 DGAEMO C(=C/[C@H]1CCC[N@@H+]1Cc1cn(CC2CC2)nn1)\c1ccccc1 ZINC000450715791 434360454 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CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000438493077 434493383 /nfs/dbraw/zinc/49/33/83/434493383.db2.gz QBZXZWZGMHNCOA-XJKSGUPXSA-N 1 1 302.418 3.194 10 0 DGAEMO C[C@H](O)CC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000450940498 434494876 /nfs/dbraw/zinc/49/48/76/434494876.db2.gz OBQNJTDNNOSUDC-SMDDNHRTSA-N 1 1 305.315 3.347 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000401912052 434500616 /nfs/dbraw/zinc/50/06/16/434500616.db2.gz QUKHNQSIVYHAFZ-GHMZBOCLSA-N 1 1 304.217 3.075 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000401912052 434500624 /nfs/dbraw/zinc/50/06/24/434500624.db2.gz QUKHNQSIVYHAFZ-GHMZBOCLSA-N 1 1 304.217 3.075 10 0 DGAEMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3C[C@@H](O)C(C)(C)C)nc2c1 ZINC000451018572 434537363 /nfs/dbraw/zinc/53/73/63/434537363.db2.gz PTWQTKGOQLALDF-JKSUJKDBSA-N 1 1 301.434 3.415 10 0 DGAEMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@@H](O)C(C)(C)C)[nH]c2c1 ZINC000451018572 434537370 /nfs/dbraw/zinc/53/73/70/434537370.db2.gz PTWQTKGOQLALDF-JKSUJKDBSA-N 1 1 301.434 3.415 10 0 DGAEMO Cc1ccc2nc([C@@H]3CCC[N@H+]3C[C@@H](O)C(C)(C)C)[nH]c2c1 ZINC000451018572 434537374 /nfs/dbraw/zinc/53/73/74/434537374.db2.gz PTWQTKGOQLALDF-JKSUJKDBSA-N 1 1 301.434 3.415 10 0 DGAEMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CC)(c2ccccc2)C1 ZINC000458226132 434537658 /nfs/dbraw/zinc/53/76/58/434537658.db2.gz JTULPXMNGFOSOU-KRWDZBQOSA-N 1 1 300.446 3.051 10 0 DGAEMO Cc1cc(-c2nnc(C[N@H+]3CCSCC[C@H]3C)o2)c(C)o1 ZINC000408058494 434538877 /nfs/dbraw/zinc/53/88/77/434538877.db2.gz KHZGTCUYCLKRLG-SNVBAGLBSA-N 1 1 307.419 3.274 10 0 DGAEMO Cc1cc(-c2nnc(C[N@@H+]3CCSCC[C@H]3C)o2)c(C)o1 ZINC000408058494 434538884 /nfs/dbraw/zinc/53/88/84/434538884.db2.gz KHZGTCUYCLKRLG-SNVBAGLBSA-N 1 1 307.419 3.274 10 0 DGAEMO CCC[N@H+]1CCC[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000438976530 434554061 /nfs/dbraw/zinc/55/40/61/434554061.db2.gz UAGVFKMPZDGOFX-ZDUSSCGKSA-N 1 1 306.372 3.052 10 0 DGAEMO c1cncc([C@@H]([NH2+]Cc2nnc(C3CC3)n2C2CC2)C2CC2)c1 ZINC000526084929 295055916 /nfs/dbraw/zinc/05/59/16/295055916.db2.gz OYQLXPCUWMCYPU-KRWDZBQOSA-N 1 1 309.417 3.126 10 0 DGAEMO Cc1cc(-c2nnc(C[N@@H+]3CCSC[C@H](C)C3)o2)c(C)o1 ZINC000408358469 434565269 /nfs/dbraw/zinc/56/52/69/434565269.db2.gz GLEIPNKJPIXFRA-SNVBAGLBSA-N 1 1 307.419 3.131 10 0 DGAEMO c1nc2c(c(N3CCC[N@H+](C4CCCC4)CC3)n1)CCCCC2 ZINC000439099463 434565595 /nfs/dbraw/zinc/56/55/95/434565595.db2.gz TVBOKQIKEJIIAH-UHFFFAOYSA-N 1 1 314.477 3.200 10 0 DGAEMO CCn1nncc1C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000459381701 434573287 /nfs/dbraw/zinc/57/32/87/434573287.db2.gz DNMDLXBALILLCJ-OAHLLOKOSA-N 1 1 308.376 3.453 10 0 DGAEMO CCn1nncc1C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459403125 434579794 /nfs/dbraw/zinc/57/97/94/434579794.db2.gz GFIMAUPAHBHBQU-ZDUSSCGKSA-N 1 1 324.350 3.306 10 0 DGAEMO OCC[N@@H+](Cc1ccc(Br)c(F)c1F)C1CCC1 ZINC000528471449 295217142 /nfs/dbraw/zinc/21/71/42/295217142.db2.gz KGORSXIMBKOYNA-UHFFFAOYSA-N 1 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CC[C@H](C)[C@H](C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1)OC ZINC000453266552 434845558 /nfs/dbraw/zinc/84/55/58/434845558.db2.gz LFYQJPJBKBWFSJ-KKXDTOCCSA-N 1 1 319.424 3.299 10 0 DGAEMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2nncc2C1 ZINC000574053456 434947884 /nfs/dbraw/zinc/94/78/84/434947884.db2.gz LLRBFLKDUYCQNO-GHXNOFRVSA-N 1 1 322.334 3.216 10 0 DGAEMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2nncc2C1 ZINC000574053456 434947888 /nfs/dbraw/zinc/94/78/88/434947888.db2.gz LLRBFLKDUYCQNO-GHXNOFRVSA-N 1 1 322.334 3.216 10 0 DGAEMO CCCC[N@@H+](C)CCNC(=O)NCc1oc2ccccc2c1C ZINC000523776085 434963047 /nfs/dbraw/zinc/96/30/47/434963047.db2.gz PHNITJBQAWPVDA-UHFFFAOYSA-N 1 1 317.433 3.272 10 0 DGAEMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794789 434929377 /nfs/dbraw/zinc/92/93/77/434929377.db2.gz XIXXQIZYDMSJCU-OAHLLOKOSA-N 1 1 320.477 3.462 10 0 DGAEMO c1ccc(-c2ncc(C[N@H+]3CCC[C@@]4(CCOC4)C3)cn2)cc1 ZINC000573891814 434933513 /nfs/dbraw/zinc/93/35/13/434933513.db2.gz 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IQYVINPILNUQMO-OALUTQOASA-N 1 1 314.473 3.188 10 0 DGAEMO Cc1c(=O)[nH]c(SC[C@H](C)[NH+](C)C)nc1-c1ccccc1 ZINC000479182485 435322550 /nfs/dbraw/zinc/32/25/50/435322550.db2.gz KPRKMJGSTLHWPG-NSHDSACASA-N 1 1 303.431 3.200 10 0 DGAEMO C[C@@H]1C[C@@H]1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479434073 435331484 /nfs/dbraw/zinc/33/14/84/435331484.db2.gz BVXRAHFPXDNFRP-JFIYKMOQSA-N 1 1 321.509 3.329 10 0 DGAEMO c1cnc(N[C@H]2CC[N@H+](Cc3ccc4ccccc4c3)C2)nc1 ZINC000567905446 435368245 /nfs/dbraw/zinc/36/82/45/435368245.db2.gz ZXVSKIGEMKCCCD-SFHVURJKSA-N 1 1 304.397 3.316 10 0 DGAEMO CC(C)C1CCC(N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000513299713 435383888 /nfs/dbraw/zinc/38/38/88/435383888.db2.gz YNADTPVHJBCTBC-ABHNRTSZSA-N 1 1 310.526 3.226 10 0 DGAEMO Cc1cccc(CCC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000480682057 435390666 /nfs/dbraw/zinc/39/06/66/435390666.db2.gz RBIYYXPWXWRJEF-FQEVSTJZSA-N 1 1 322.452 3.491 10 0 DGAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000639940756 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/nfs/dbraw/zinc/58/72/37/431587237.db2.gz FVVAASSDLMBKGF-IYBDPMFKSA-N 1 1 312.413 3.270 10 0 DGAEMO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119134898 431651582 /nfs/dbraw/zinc/65/15/82/431651582.db2.gz OUQISQBSEGWFQP-INMHGKMJSA-N 1 1 310.482 3.055 10 0 DGAEMO CCC[N@H+](Cc1ccc(C(=O)OC)s1)C[C@H]1CCCCO1 ZINC000119034608 431637167 /nfs/dbraw/zinc/63/71/67/431637167.db2.gz KMQBBZHZTLFOSQ-CYBMUJFWSA-N 1 1 311.447 3.316 10 0 DGAEMO CC[C@@H](C)OCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000119090577 431644350 /nfs/dbraw/zinc/64/43/50/431644350.db2.gz WMVXJJPIJNPPTC-KGLIPLIRSA-N 1 1 315.417 3.173 10 0 DGAEMO CC(C)NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000025943935 431668247 /nfs/dbraw/zinc/66/82/47/431668247.db2.gz XHBXABSGHRCMGV-CQSZACIVSA-N 1 1 317.458 3.348 10 0 DGAEMO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](C)CS(C)(=O)=O)o1 ZINC000119384696 431686778 /nfs/dbraw/zinc/68/67/78/431686778.db2.gz BJWODGGIPXSLTE-HIFRSBDPSA-N 1 1 313.463 3.050 10 0 DGAEMO CCc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)o1 ZINC000119384696 431686782 /nfs/dbraw/zinc/68/67/82/431686782.db2.gz BJWODGGIPXSLTE-HIFRSBDPSA-N 1 1 313.463 3.050 10 0 DGAEMO CC(C)[N@@H+](Cc1cn2cc(Cl)ccc2n1)C1CCOCC1 ZINC000119576028 431709084 /nfs/dbraw/zinc/70/90/84/431709084.db2.gz QAGSCMBSWBBKNT-UHFFFAOYSA-N 1 1 307.825 3.377 10 0 DGAEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CCC1CCOCC1 ZINC000120469234 431726879 /nfs/dbraw/zinc/72/68/79/431726879.db2.gz FFYIMLQQHKIVPI-JKSUJKDBSA-N 1 1 318.461 3.001 10 0 DGAEMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000120971850 431738454 /nfs/dbraw/zinc/73/84/54/431738454.db2.gz FEHRMYPXXLAMDP-INIZCTEOSA-N 1 1 319.401 3.195 10 0 DGAEMO O=C1CC[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1 ZINC000029476583 431722344 /nfs/dbraw/zinc/72/23/44/431722344.db2.gz WGEOQAZWFGLHIA-SXLOBPIMSA-N 1 1 311.425 3.040 10 0 DGAEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000081585990 431796332 /nfs/dbraw/zinc/79/63/32/431796332.db2.gz QOHOIJJDCLLRKF-HFPBVCCTSA-N 1 1 318.436 3.466 10 0 DGAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1Br ZINC000083550776 431810421 /nfs/dbraw/zinc/81/04/21/431810421.db2.gz CPCDKPPAWXYPLE-GXTWGEPZSA-N 1 1 309.251 3.118 10 0 DGAEMO Cc1ccc(C[C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000121353642 431776588 /nfs/dbraw/zinc/77/65/88/431776588.db2.gz PKDWEOQHPXGZML-XEZPLFJOSA-N 1 1 323.506 3.015 10 0 DGAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cccnc2C)cc1 ZINC000086248422 431844535 /nfs/dbraw/zinc/84/45/35/431844535.db2.gz YQEPBJNJOGEYFF-CYBMUJFWSA-N 1 1 320.396 3.375 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc3ccccc32)CC[N@H+]1C ZINC000122912367 431848925 /nfs/dbraw/zinc/84/89/25/431848925.db2.gz VJHGFSNXXUOLET-YJBOKZPZSA-N 1 1 310.441 3.323 10 0 DGAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c1 ZINC000123003718 431851923 /nfs/dbraw/zinc/85/19/23/431851923.db2.gz JJJDOSQLQUDCQZ-GOSISDBHSA-N 1 1 321.428 3.419 10 0 DGAEMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000123017925 431852817 /nfs/dbraw/zinc/85/28/17/431852817.db2.gz QSXJLLTZUYGINU-HNNXBMFYSA-N 1 1 316.426 3.448 10 0 DGAEMO C[C@H]1C[C@H](N(C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000123173495 431857154 /nfs/dbraw/zinc/85/71/54/431857154.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 1 1 324.852 3.026 10 0 DGAEMO C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CCN1C ZINC000123173495 431857156 /nfs/dbraw/zinc/85/71/56/431857156.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 1 1 324.852 3.026 10 0 DGAEMO C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CCN1C ZINC000123173495 431857158 /nfs/dbraw/zinc/85/71/58/431857158.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 1 1 324.852 3.026 10 0 DGAEMO C[C@@H]1C[C@H](N(C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000123173314 431857226 /nfs/dbraw/zinc/85/72/26/431857226.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 1 1 324.852 3.026 10 0 DGAEMO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CCN1C ZINC000123173314 431857229 /nfs/dbraw/zinc/85/72/29/431857229.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 1 1 324.852 3.026 10 0 DGAEMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CCN1C ZINC000123173314 431857232 /nfs/dbraw/zinc/85/72/32/431857232.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 1 1 324.852 3.026 10 0 DGAEMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123167622 431857532 /nfs/dbraw/zinc/85/75/32/431857532.db2.gz OPKWPIFQNPUWKP-BXUZGUMPSA-N 1 1 314.351 3.260 10 0 DGAEMO Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278452 431860512 /nfs/dbraw/zinc/86/05/12/431860512.db2.gz HWQHOLFAPXEKBC-ZIAGYGMSSA-N 1 1 323.868 3.001 10 0 DGAEMO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000123596879 431868845 /nfs/dbraw/zinc/86/88/45/431868845.db2.gz ROVGFPJFRWNMKR-NSHDSACASA-N 1 1 308.223 3.342 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000122192315 431819245 /nfs/dbraw/zinc/81/92/45/431819245.db2.gz QQJGBCFULNTJEV-CZUORRHYSA-N 1 1 308.853 3.451 10 0 DGAEMO Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000084769257 431833151 /nfs/dbraw/zinc/83/31/51/431833151.db2.gz DVKQSICQTWEEDQ-OZZQIWQLSA-N 1 1 300.446 3.197 10 0 DGAEMO CC(C)[N@H+](Cc1ccsc1)C[C@@H](O)COCc1ccco1 ZINC000036099360 431835125 /nfs/dbraw/zinc/83/51/25/431835125.db2.gz NVVPSJPGUDHUAW-OAHLLOKOSA-N 1 1 309.431 3.129 10 0 DGAEMO CC(C)CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036095545 431835899 /nfs/dbraw/zinc/83/58/99/431835899.db2.gz FQSYNHJOWVCJPO-GOSISDBHSA-N 1 1 311.441 3.460 10 0 DGAEMO CCS[C@H]1CCCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963666 431836302 /nfs/dbraw/zinc/83/63/02/431836302.db2.gz VQXOKBNPSFHUEU-ROUUACIJSA-N 1 1 323.502 3.172 10 0 DGAEMO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000122577259 431838762 /nfs/dbraw/zinc/83/87/62/431838762.db2.gz IGAVPGGTQPCRIA-IBGZPJMESA-N 1 1 313.445 3.018 10 0 DGAEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000122577259 431838765 /nfs/dbraw/zinc/83/87/65/431838765.db2.gz IGAVPGGTQPCRIA-IBGZPJMESA-N 1 1 313.445 3.018 10 0 DGAEMO COc1ccccc1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125039832 431911861 /nfs/dbraw/zinc/91/18/61/431911861.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 1 1 302.462 3.186 10 0 DGAEMO COc1ccccc1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000125039832 431911863 /nfs/dbraw/zinc/91/18/63/431911863.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 1 1 302.462 3.186 10 0 DGAEMO COc1ccccc1C[C@H]1CCC[N@H+]1CC[C@@H]1CCCN1C ZINC000125039832 431911865 /nfs/dbraw/zinc/91/18/65/431911865.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 1 1 302.462 3.186 10 0 DGAEMO Cc1ccc(N(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)[nH+]c1 ZINC000095075267 431921011 /nfs/dbraw/zinc/92/10/11/431921011.db2.gz BHKDSOPZYDUPFY-AWEZNQCLSA-N 1 1 305.422 3.226 10 0 DGAEMO C[C@@H](c1ccc[nH]1)[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088757 431921167 /nfs/dbraw/zinc/92/11/67/431921167.db2.gz DOZGIUGPDMREOR-ZDUSSCGKSA-N 1 1 307.438 3.407 10 0 DGAEMO Cc1ccc(N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[nH+]c1 ZINC000095075268 431921221 /nfs/dbraw/zinc/92/12/21/431921221.db2.gz BHKDSOPZYDUPFY-CQSZACIVSA-N 1 1 305.422 3.226 10 0 DGAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000124457543 431894385 /nfs/dbraw/zinc/89/43/85/431894385.db2.gz HBJAFQSTYREAMO-HZPDHXFCSA-N 1 1 319.449 3.247 10 0 DGAEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000046859293 431902333 /nfs/dbraw/zinc/90/23/33/431902333.db2.gz CRORWGDTKSIAEK-JTQLQIEISA-N 1 1 316.779 3.222 10 0 DGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CCn2c(C)csc2=O)o1 ZINC000124728281 431902411 /nfs/dbraw/zinc/90/24/11/431902411.db2.gz NFAHKELQJJGOTL-AWEZNQCLSA-N 1 1 306.431 3.347 10 0 DGAEMO C[C@@H]1C[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000127584330 431975566 /nfs/dbraw/zinc/97/55/66/431975566.db2.gz SJQZLGRXZJOPOG-OCCSQVGLSA-N 1 1 322.399 3.029 10 0 DGAEMO COc1cccc2c(N3CCC([C@H](C)O)CC3)cc(C)[nH+]c12 ZINC000125503875 431927464 /nfs/dbraw/zinc/92/74/64/431927464.db2.gz IOYYPIYEXXDLOZ-ZDUSSCGKSA-N 1 1 300.402 3.149 10 0 DGAEMO COc1ccc(C[N@@H+]2CCCSCC2)cc1Br ZINC000049595674 431942393 /nfs/dbraw/zinc/94/23/93/431942393.db2.gz OTZFAEUCSWWVCO-UHFFFAOYSA-N 1 1 316.264 3.397 10 0 DGAEMO COc1ccc(C[N@H+]2CCCSCC2)cc1Br ZINC000049595674 431942395 /nfs/dbraw/zinc/94/23/95/431942395.db2.gz OTZFAEUCSWWVCO-UHFFFAOYSA-N 1 1 316.264 3.397 10 0 DGAEMO CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C[C@@H]1CCCO1 ZINC000051554602 431951613 /nfs/dbraw/zinc/95/16/13/431951613.db2.gz GFDNTHWFKJDRJO-INIZCTEOSA-N 1 1 316.401 3.351 10 0 DGAEMO CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C[C@@H]1CCCO1 ZINC000051554602 431951617 /nfs/dbraw/zinc/95/16/17/431951617.db2.gz GFDNTHWFKJDRJO-INIZCTEOSA-N 1 1 316.401 3.351 10 0 DGAEMO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000052762453 431958737 /nfs/dbraw/zinc/95/87/37/431958737.db2.gz AVIWIHWWNIARRG-CYBMUJFWSA-N 1 1 316.214 3.325 10 0 DGAEMO OCCC[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1F ZINC000052762453 431958739 /nfs/dbraw/zinc/95/87/39/431958739.db2.gz AVIWIHWWNIARRG-CYBMUJFWSA-N 1 1 316.214 3.325 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(Cl)c2)[C@H](C)C1 ZINC000127784254 431980589 /nfs/dbraw/zinc/98/05/89/431980589.db2.gz AIEBBWPKRKDCQR-CJNGLKHVSA-N 1 1 323.868 3.212 10 0 DGAEMO N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000097163511 431963932 /nfs/dbraw/zinc/96/39/32/431963932.db2.gz LVRFBBPCNSGUFR-RTBURBONSA-N 1 1 321.399 3.301 10 0 DGAEMO N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000097163511 431963934 /nfs/dbraw/zinc/96/39/34/431963934.db2.gz LVRFBBPCNSGUFR-RTBURBONSA-N 1 1 321.399 3.301 10 0 DGAEMO c1nn(-c2ccccc2)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000127163332 431965853 /nfs/dbraw/zinc/96/58/53/431965853.db2.gz VQTTUTUJRGUTRU-UHFFFAOYSA-N 1 1 324.472 3.180 10 0 DGAEMO CC(C)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000053958970 431966961 /nfs/dbraw/zinc/96/69/61/431966961.db2.gz PLJARVNXIRVFNW-HNNXBMFYSA-N 1 1 321.440 3.088 10 0 DGAEMO CC(C)[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000053958970 431966964 /nfs/dbraw/zinc/96/69/64/431966964.db2.gz PLJARVNXIRVFNW-HNNXBMFYSA-N 1 1 321.440 3.088 10 0 DGAEMO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000054325002 431969907 /nfs/dbraw/zinc/96/99/07/431969907.db2.gz VXQSXYCVEQMNNZ-AWEZNQCLSA-N 1 1 322.424 3.290 10 0 DGAEMO CC(C)COC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000054323429 431969977 /nfs/dbraw/zinc/96/99/77/431969977.db2.gz KCAWTDHOJDCFPB-UHFFFAOYSA-N 1 1 315.417 3.374 10 0 DGAEMO C[C@H]1C[C@H](N(C)C(=O)c2sccc2-n2cccc2)CC[N@H+]1C ZINC000127894946 431982687 /nfs/dbraw/zinc/98/26/87/431982687.db2.gz INQWKQDPORYAOG-UONOGXRCSA-N 1 1 317.458 3.094 10 0 DGAEMO C[C@@H]1C[C@H](N(C)C(=O)c2sccc2-n2cccc2)CC[N@H+]1C ZINC000127894749 431983130 /nfs/dbraw/zinc/98/31/30/431983130.db2.gz INQWKQDPORYAOG-ZIAGYGMSSA-N 1 1 317.458 3.094 10 0 DGAEMO Cc1ccc2[nH]c(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc2c1C ZINC000116764608 281024100 /nfs/dbraw/zinc/02/41/00/281024100.db2.gz VUNQHZPLDMXILU-DZGCQCFKSA-N 1 1 311.429 3.093 10 0 DGAEMO CC(C)[N@@H+](C)CCNC(=O)N[C@H](c1ccco1)c1ccccc1 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/nfs/dbraw/zinc/70/22/65/434702265.db2.gz QRCMMXSEDQRKJL-OAHLLOKOSA-N 1 1 324.403 3.469 10 0 DGAEMO COC(=O)CC1(C[N@@H+]2CC=C(c3cccc(OC)c3)CC2)CC1 ZINC000440698732 434734444 /nfs/dbraw/zinc/73/44/44/434734444.db2.gz QPZZQQYPTVVFLG-UHFFFAOYSA-N 1 1 315.413 3.128 10 0 DGAEMO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453104484 434802343 /nfs/dbraw/zinc/80/23/43/434802343.db2.gz UENOBBSDHPLOOV-ZRNYENFQSA-N 1 1 314.473 3.198 10 0 DGAEMO O=C(C[N@@H+]1CCCC12CCC2)Nc1nc(-c2ccco2)cs1 ZINC000444775878 434791085 /nfs/dbraw/zinc/79/10/85/434791085.db2.gz OHVCDGQCZIXIJS-UHFFFAOYSA-N 1 1 317.414 3.360 10 0 DGAEMO O=C(C[N@H+]1CCCC12CCC2)Nc1nc(-c2ccco2)cs1 ZINC000444775878 434791089 /nfs/dbraw/zinc/79/10/89/434791089.db2.gz OHVCDGQCZIXIJS-UHFFFAOYSA-N 1 1 317.414 3.360 10 0 DGAEMO c1ccc2ncc(C[N@H+]3CCC[C@H](c4ccncn4)C3)cc2c1 ZINC000372434629 434826120 /nfs/dbraw/zinc/82/61/20/434826120.db2.gz DNSKVNPDPLSXIL-KRWDZBQOSA-N 1 1 304.397 3.404 10 0 DGAEMO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CCOCC2)C3)cc1 ZINC000453284410 434849497 /nfs/dbraw/zinc/84/94/97/434849497.db2.gz INBJYKLSHODIAD-ACDBMABISA-N 1 1 312.457 3.118 10 0 DGAEMO COc1cccc(C2=CC[N@@H+](C[C@@H](O)CC(F)(F)F)CC2)c1 ZINC000372740619 434850850 /nfs/dbraw/zinc/85/08/50/434850850.db2.gz MNZNDILNOQMHAX-AWEZNQCLSA-N 1 1 315.335 3.098 10 0 DGAEMO c1c(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)nnn1CC1CC1 ZINC000411992578 434852158 /nfs/dbraw/zinc/85/21/58/434852158.db2.gz VKSAIBIVVOVNFJ-LJQANCHMSA-N 1 1 322.456 3.458 10 0 DGAEMO Brc1ccc([C@H]([NH2+]Cc2ncccn2)C2CC2)cc1 ZINC000522013213 434906771 /nfs/dbraw/zinc/90/67/71/434906771.db2.gz CKPIZFKXNRMEDD-OAHLLOKOSA-N 1 1 318.218 3.480 10 0 DGAEMO CC(C)c1ccc(/C=C/CC(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000492111704 434917083 /nfs/dbraw/zinc/91/70/83/434917083.db2.gz VQGWAKTYQURKMS-LAQIPUCWSA-N 1 1 300.446 3.281 10 0 DGAEMO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000523391323 434946566 /nfs/dbraw/zinc/94/65/66/434946566.db2.gz LPLVALWJQCLFAF-OAHLLOKOSA-N 1 1 322.412 3.036 10 0 DGAEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000523391323 434946569 /nfs/dbraw/zinc/94/65/69/434946569.db2.gz LPLVALWJQCLFAF-OAHLLOKOSA-N 1 1 322.412 3.036 10 0 DGAEMO CC(C)N(Cc1ccccc1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000523533821 434953912 /nfs/dbraw/zinc/95/39/12/434953912.db2.gz QPDPRMAADQPOPE-QGZVFWFLSA-N 1 1 317.477 3.339 10 0 DGAEMO COC(=O)c1ccc(C[N@@H+]2CCC2(C)C)c(Br)c1 ZINC000556599622 435013316 /nfs/dbraw/zinc/01/33/16/435013316.db2.gz ZRHOVOMBZGSVTO-UHFFFAOYSA-N 1 1 312.207 3.220 10 0 DGAEMO COC(=O)c1ccc(C[N@H+]2CCC2(C)C)c(Br)c1 ZINC000556599622 435013319 /nfs/dbraw/zinc/01/33/19/435013319.db2.gz ZRHOVOMBZGSVTO-UHFFFAOYSA-N 1 1 312.207 3.220 10 0 DGAEMO C[C@H](CCNC(=O)NCCCC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000531078081 435069579 /nfs/dbraw/zinc/06/95/79/435069579.db2.gz GLRIUDPBGUUUTJ-MRXNPFEDSA-N 1 1 317.477 3.386 10 0 DGAEMO Cc1ccc(-c2noc(C[NH+]3CCC(OC(C)C)CC3)n2)cc1 ZINC000531164185 435076880 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1 320.399 3.296 10 0 DGAEMO c1cnc(N2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)cn1 ZINC000560618317 435184483 /nfs/dbraw/zinc/18/44/83/435184483.db2.gz GJCKNBUJEGERAB-UHFFFAOYSA-N 1 1 309.417 3.220 10 0 DGAEMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000532584557 435179617 /nfs/dbraw/zinc/17/96/17/435179617.db2.gz RBSHLOOQTUDAPZ-UKRRQHHQSA-N 1 1 318.417 3.254 10 0 DGAEMO c1cnc2nc([C@H]3CC[N@H+](CCc4ccncc4)C3)ccc2c1 ZINC000583650802 435243404 /nfs/dbraw/zinc/24/34/04/435243404.db2.gz BJHKVFWSIMFBIW-KRWDZBQOSA-N 1 1 304.397 3.057 10 0 DGAEMO c1ccc(OCCCC[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000583869807 435252766 /nfs/dbraw/zinc/25/27/66/435252766.db2.gz JHMRHVRMLNUQDI-QGZVFWFLSA-N 1 1 307.459 3.054 10 0 DGAEMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000584150850 435279352 /nfs/dbraw/zinc/27/93/52/435279352.db2.gz PBOMYVGAPBYYAC-CQSZACIVSA-N 1 1 311.385 3.053 10 0 DGAEMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000534325913 435280924 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ZINC000515071320 435461011 /nfs/dbraw/zinc/46/10/11/435461011.db2.gz DEHRYUSVALZPPV-UHFFFAOYSA-N 1 1 315.486 3.114 10 0 DGAEMO CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537206265 435431256 /nfs/dbraw/zinc/43/12/56/435431256.db2.gz DVYJRIKXRBDBNC-SJLPKXTDSA-N 1 1 302.462 3.246 10 0 DGAEMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481585280 435433425 /nfs/dbraw/zinc/43/34/25/435433425.db2.gz MQOHQRGQKTUUOF-XIRDDKMYSA-N 1 1 304.409 3.062 10 0 DGAEMO Cc1cccnc1C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000538966221 435531915 /nfs/dbraw/zinc/53/19/15/435531915.db2.gz WOICMVCTALUSNK-OAHLLOKOSA-N 1 1 304.434 3.334 10 0 DGAEMO COc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000538267596 435489728 /nfs/dbraw/zinc/48/97/28/435489728.db2.gz LXKRHXQIUIYCEN-MAUKXSAKSA-N 1 1 311.429 3.413 10 0 DGAEMO CC(C)COCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000539370205 435548219 /nfs/dbraw/zinc/54/82/19/435548219.db2.gz XIVALDBRNSYNBG-GOSISDBHSA-N 1 1 319.424 3.301 10 0 DGAEMO CC(=O)c1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1C ZINC000569865509 435566920 /nfs/dbraw/zinc/56/69/20/435566920.db2.gz YFZJJLFCDAKMOU-AWEZNQCLSA-N 1 1 317.433 3.194 10 0 DGAEMO COCc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000539929194 435580784 /nfs/dbraw/zinc/58/07/84/435580784.db2.gz NTLPNXXZWJWZKE-AWEZNQCLSA-N 1 1 323.433 3.370 10 0 DGAEMO C[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC1CC1 ZINC000541074581 435637370 /nfs/dbraw/zinc/63/73/70/435637370.db2.gz QRUBQQKGEKWBLC-UHFFFAOYSA-N 1 1 311.216 3.416 10 0 DGAEMO C[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC1CC1 ZINC000541074581 435637374 /nfs/dbraw/zinc/63/73/74/435637374.db2.gz QRUBQQKGEKWBLC-UHFFFAOYSA-N 1 1 311.216 3.416 10 0 DGAEMO CN(CC1CC1)C(=O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000519855951 435715456 /nfs/dbraw/zinc/71/54/56/435715456.db2.gz CRZKSUZFLSSXIE-UHFFFAOYSA-N 1 1 322.399 3.013 10 0 DGAEMO c1nc(C2CC2)c(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)s1 ZINC000551795669 435852415 /nfs/dbraw/zinc/85/24/15/435852415.db2.gz 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313030355 /nfs/dbraw/zinc/03/03/55/313030355.db2.gz FJIQDTLPWREVNF-UHFFFAOYSA-N 1 1 300.402 3.160 10 0 DGAEMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000377230725 313030357 /nfs/dbraw/zinc/03/03/57/313030357.db2.gz FJIQDTLPWREVNF-UHFFFAOYSA-N 1 1 300.402 3.160 10 0 DGAEMO Brc1sccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000529531753 313218328 /nfs/dbraw/zinc/21/83/28/313218328.db2.gz QFSQDDCZPUZQKQ-JQWIXIFHSA-N 1 1 316.264 3.369 10 0 DGAEMO O=C(NCCCC1CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000530622260 313389488 /nfs/dbraw/zinc/38/94/88/313389488.db2.gz RWZGRZLZMDXQSL-SFHVURJKSA-N 1 1 318.436 3.487 10 0 DGAEMO O=C(NCCCC1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000530622260 313389493 /nfs/dbraw/zinc/38/94/93/313389493.db2.gz RWZGRZLZMDXQSL-SFHVURJKSA-N 1 1 318.436 3.487 10 0 DGAEMO Cc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CC=CCC2)c(C)c1 ZINC000541320242 314007847 /nfs/dbraw/zinc/00/78/47/314007847.db2.gz IFAWIWHCFNFEMH-ROUUACIJSA-N 1 1 303.446 3.331 10 0 DGAEMO 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CC[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000176937844 655873206 /nfs/dbraw/zinc/87/32/06/655873206.db2.gz OSKYVBUGVPCJQC-RHSMWYFYSA-N 1 1 304.409 3.049 10 0 DGAEMO CCC[C@H]([NH3+])c1nc(Cc2cccc(Br)c2)no1 ZINC000036830961 661205797 /nfs/dbraw/zinc/20/57/97/661205797.db2.gz BYBSHHNPDXYODO-NSHDSACASA-N 1 1 310.195 3.223 10 0 DGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000177532037 655930801 /nfs/dbraw/zinc/93/08/01/655930801.db2.gz PUAZNKPMYGBDPO-OKACTXMXSA-N 1 1 316.445 3.041 10 0 DGAEMO CCc1nc(NCc2ncc(Br)s2)cc(C)[nH+]1 ZINC000714935307 661204894 /nfs/dbraw/zinc/20/48/94/661204894.db2.gz NOLCENSXJWGYHH-UHFFFAOYSA-N 1 1 313.224 3.179 10 0 DGAEMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cncnc1)c1ccccc1 ZINC000180510080 655966459 /nfs/dbraw/zinc/96/64/59/655966459.db2.gz QQAPWFPWWJZXDM-MOPGFXCFSA-N 1 1 311.429 3.345 10 0 DGAEMO Fc1ncccc1C[NH2+]Cc1cc(Br)cs1 ZINC000309553233 656024202 /nfs/dbraw/zinc/02/42/02/656024202.db2.gz GQVZPKVVEIFELS-UHFFFAOYSA-N 1 1 301.184 3.335 10 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/nfs/dbraw/zinc/22/74/96/284227496.db2.gz XWMNSSHTYIIQLD-CXAGYDPISA-N 1 1 310.869 3.211 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCCC2(C)C)[C@@H](C)C1 ZINC000246366000 432123156 /nfs/dbraw/zinc/12/31/56/432123156.db2.gz HAWXOMRTOOJAAW-HRCADAONSA-N 1 1 309.498 3.327 10 0 DGAEMO CCCC[N@@H+](C)CCNC(=O)Cc1csc2ccccc12 ZINC000488894201 245244672 /nfs/dbraw/zinc/24/46/72/245244672.db2.gz JAODGIODDWLKEC-UHFFFAOYSA-N 1 1 304.459 3.292 10 0 DGAEMO COc1ccccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124124345 284253273 /nfs/dbraw/zinc/25/32/73/284253273.db2.gz MFSOXWGFKBWNSO-QGZVFWFLSA-N 1 1 324.424 3.198 10 0 DGAEMO CN(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000126277581 284299500 /nfs/dbraw/zinc/29/95/00/284299500.db2.gz SCZYLMJOKIYFBP-KRWDZBQOSA-N 1 1 302.443 3.258 10 0 DGAEMO CN(CC[N@H+]1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000126277581 284299501 /nfs/dbraw/zinc/29/95/01/284299501.db2.gz SCZYLMJOKIYFBP-KRWDZBQOSA-N 1 1 302.443 3.258 10 0 DGAEMO C[C@H]([NH2+]Cc1ccsc1Br)c1cnn(C)c1 ZINC000282526647 217063874 /nfs/dbraw/zinc/06/38/74/217063874.db2.gz VBJQFRNTXLTXCP-QMMMGPOBSA-N 1 1 300.225 3.095 10 0 DGAEMO CSCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000126469563 284306089 /nfs/dbraw/zinc/30/60/89/284306089.db2.gz DBPRDVXWKQEFPH-CYBMUJFWSA-N 1 1 304.463 3.056 10 0 DGAEMO CSCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000126469563 284306092 /nfs/dbraw/zinc/30/60/92/284306092.db2.gz DBPRDVXWKQEFPH-CYBMUJFWSA-N 1 1 304.463 3.056 10 0 DGAEMO CCn1ccnc1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000265627455 204748937 /nfs/dbraw/zinc/74/89/37/204748937.db2.gz CDRYMEFECLBFON-AWEZNQCLSA-N 1 1 320.234 3.443 10 0 DGAEMO Cc1cc(C(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1C1CC1 ZINC000246383831 432125697 /nfs/dbraw/zinc/12/56/97/432125697.db2.gz RUBBGFJOYRFMDR-GUYCJALGSA-N 1 1 317.477 3.037 10 0 DGAEMO O=C(Nc1ccc2c(c1)CCCO2)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440140444 284325442 /nfs/dbraw/zinc/32/54/42/284325442.db2.gz HDNMVUWQFWQXTF-QGZVFWFLSA-N 1 1 314.429 3.357 10 0 DGAEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000127303573 284334166 /nfs/dbraw/zinc/33/41/66/284334166.db2.gz MVYAPSLCZHFKPQ-NXEZZACHSA-N 1 1 318.314 3.009 10 0 DGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246400232 432127198 /nfs/dbraw/zinc/12/71/98/432127198.db2.gz FOYSTGRBGYMDOU-BZSNNMDCSA-N 1 1 315.461 3.399 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000246395784 432127631 /nfs/dbraw/zinc/12/76/31/432127631.db2.gz JOLVKPBTOBECHH-UXLLHSPISA-N 1 1 309.498 3.327 10 0 DGAEMO CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246419518 432128335 /nfs/dbraw/zinc/12/83/35/432128335.db2.gz LTZWUFAFAVUDCA-WCXIOVBPSA-N 1 1 309.498 3.327 10 0 DGAEMO Cn1cc([C@H]2CCC[N@H+]2CCSc2ccccc2F)cn1 ZINC000171413019 432130704 /nfs/dbraw/zinc/13/07/04/432130704.db2.gz JLLPLJZNNSYANH-OAHLLOKOSA-N 1 1 305.422 3.488 10 0 DGAEMO CC(C)[N@@H+](C)[C@H](C)C(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000021810237 182292175 /nfs/dbraw/zinc/29/21/75/182292175.db2.gz LOUNQINDDUUPIK-MRVPVSSYSA-N 1 1 304.221 3.243 10 0 DGAEMO C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022197434 182312943 /nfs/dbraw/zinc/31/29/43/182312943.db2.gz ANHZFBHERWQJHG-MRXNPFEDSA-N 1 1 308.425 3.312 10 0 DGAEMO N[C@@H](c1ccc(O)cc1Cl)[C@H]([NH3+])c1ccc(O)cc1Cl ZINC000022931057 182341848 /nfs/dbraw/zinc/34/18/48/182341848.db2.gz FLWHMEPBYLAJEI-OKILXGFUSA-N 1 1 313.184 3.104 10 0 DGAEMO Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246486377 432137170 /nfs/dbraw/zinc/13/71/70/432137170.db2.gz VZZZXVPOLVFCES-SOLBZPMBSA-N 1 1 317.477 3.223 10 0 DGAEMO Cn1cc([C@H]2CCC[N@H+]2CCSc2ccc(F)cc2)cn1 ZINC000171504657 432138726 /nfs/dbraw/zinc/13/87/26/432138726.db2.gz DLAAJMAMYCPTBW-MRXNPFEDSA-N 1 1 305.422 3.488 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC2CCCC2)[C@@H](C)C1 ZINC000246519293 432139819 /nfs/dbraw/zinc/13/98/19/432139819.db2.gz UQEGPAXUVAHLTC-RDJZCZTQSA-N 1 1 309.498 3.329 10 0 DGAEMO CCc1cccc(C)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246557707 432143823 /nfs/dbraw/zinc/14/38/23/432143823.db2.gz WMQCBBKIQJKBBP-ZBFHGGJFSA-N 1 1 303.450 3.408 10 0 DGAEMO CC(C)Oc1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246582739 432145995 /nfs/dbraw/zinc/14/59/95/432145995.db2.gz YGRXXDLURMSTGG-GOEBONIOSA-N 1 1 319.449 3.324 10 0 DGAEMO C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246611777 432148381 /nfs/dbraw/zinc/14/83/81/432148381.db2.gz YECSJYOXPOOJIH-JKIFEVAISA-N 1 1 308.853 3.054 10 0 DGAEMO Cn1cnnc1C[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000038007976 182961067 /nfs/dbraw/zinc/96/10/67/182961067.db2.gz VRNDKFXWNLCMJJ-LBPRGKRZSA-N 1 1 304.444 3.012 10 0 DGAEMO CC[N@@H+]1CCC[C@@H](NCc2csc(Br)c2)C1 ZINC000040502712 183084556 /nfs/dbraw/zinc/08/45/56/183084556.db2.gz XAMMMZNEHAMDKE-LLVKDONJSA-N 1 1 303.269 3.085 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NCc2csc(Br)c2)C1 ZINC000040502712 183084557 /nfs/dbraw/zinc/08/45/57/183084557.db2.gz XAMMMZNEHAMDKE-LLVKDONJSA-N 1 1 303.269 3.085 10 0 DGAEMO CC(C)[N@@H+](CCC(N)=S)Cc1ccc(Br)cc1 ZINC000042529465 183281248 /nfs/dbraw/zinc/28/12/48/183281248.db2.gz SARZPRJIRYSRJC-UHFFFAOYSA-N 1 1 315.280 3.336 10 0 DGAEMO C[N@H+]1CC[C@@H](n2c(=S)[nH]c3cc(Br)ccc32)C1 ZINC000042548468 183282768 /nfs/dbraw/zinc/28/27/68/183282768.db2.gz FCPVSGLGJCVGAL-SECBINFHSA-N 1 1 312.236 3.338 10 0 DGAEMO Cc1csc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000042656158 183294964 /nfs/dbraw/zinc/29/49/64/183294964.db2.gz KPPYUFUBMAHVBD-UHFFFAOYSA-N 1 1 305.422 3.303 10 0 DGAEMO Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634441 432150313 /nfs/dbraw/zinc/15/03/13/432150313.db2.gz HWQHOLFAPXEKBC-KBPBESRZSA-N 1 1 323.868 3.001 10 0 DGAEMO CC[N@@H+](CCC(N)=S)Cc1cc(Br)cs1 ZINC000043687167 183380356 /nfs/dbraw/zinc/38/03/56/183380356.db2.gz LEAZYPBPJPPJCM-UHFFFAOYSA-N 1 1 307.282 3.009 10 0 DGAEMO COc1ccccc1CC[N@@H+](C)CCCOCC(F)(F)F ZINC000104711335 194029506 /nfs/dbraw/zinc/02/95/06/194029506.db2.gz JWMULHNMLBJCKO-UHFFFAOYSA-N 1 1 305.340 3.139 10 0 DGAEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(F)c(F)cc1F ZINC000105046042 194067185 /nfs/dbraw/zinc/06/71/85/194067185.db2.gz HBRVZKLQEGXEMI-SNVBAGLBSA-N 1 1 315.339 3.100 10 0 DGAEMO Cc1cc(Cl)ccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104971669 194060014 /nfs/dbraw/zinc/06/00/14/194060014.db2.gz PMKDKGDSNBHMKW-CQSZACIVSA-N 1 1 307.825 3.350 10 0 DGAEMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc3ccccc3c2)C1 ZINC000105174514 194082529 /nfs/dbraw/zinc/08/25/29/194082529.db2.gz QPOPQEYLOBAMKR-SFHVURJKSA-N 1 1 311.429 3.123 10 0 DGAEMO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805870 194133600 /nfs/dbraw/zinc/13/36/00/194133600.db2.gz NIBZHQNHAGFKGM-LBPRGKRZSA-N 1 1 318.371 3.392 10 0 DGAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2ccccc2C)C1 ZINC000105851681 194146269 /nfs/dbraw/zinc/14/62/69/194146269.db2.gz HYZJRUQWBVGOAX-KRWDZBQOSA-N 1 1 311.429 3.160 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000105851312 194147192 /nfs/dbraw/zinc/14/71/92/194147192.db2.gz DZGMEMUNGMFGOI-QGZVFWFLSA-N 1 1 311.429 3.242 10 0 DGAEMO FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883213 194155896 /nfs/dbraw/zinc/15/58/96/194155896.db2.gz CZCCFXGEIYDXOC-CQSZACIVSA-N 1 1 324.350 3.209 10 0 DGAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000105884792 194157825 /nfs/dbraw/zinc/15/78/25/194157825.db2.gz LEZWUHRSFOWCLK-OAHLLOKOSA-N 1 1 318.852 3.461 10 0 DGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000106210668 194189348 /nfs/dbraw/zinc/18/93/48/194189348.db2.gz TXILPMXGOZORLO-MRXNPFEDSA-N 1 1 317.408 3.392 10 0 DGAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000106224939 194190785 /nfs/dbraw/zinc/19/07/85/194190785.db2.gz MBBGXBYFVCCSIE-MRXNPFEDSA-N 1 1 303.381 3.047 10 0 DGAEMO Clc1cccc(OCCC[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000106217966 194190940 /nfs/dbraw/zinc/19/09/40/194190940.db2.gz ODRLYEVOAPNOKD-OAHLLOKOSA-N 1 1 320.824 3.038 10 0 DGAEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1 ZINC000106428449 194213238 /nfs/dbraw/zinc/21/32/38/194213238.db2.gz LWDARJUAQGJOAO-IBGZPJMESA-N 1 1 319.408 3.346 10 0 DGAEMO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000245886570 284850395 /nfs/dbraw/zinc/85/03/95/284850395.db2.gz OVKMFWMOTZMJFM-HZSPNIEDSA-N 1 1 322.424 3.274 10 0 DGAEMO C[NH2+]C(C)(C)c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000061151365 184163721 /nfs/dbraw/zinc/16/37/21/184163721.db2.gz SVROFFVCTKJVJV-UHFFFAOYSA-N 1 1 300.189 3.422 10 0 DGAEMO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000064499066 184298859 /nfs/dbraw/zinc/29/88/59/184298859.db2.gz BXGWFVQTVTXTTP-DLBZAZTESA-N 1 1 318.848 3.140 10 0 DGAEMO c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000065314280 184324250 /nfs/dbraw/zinc/32/42/50/184324250.db2.gz FVNABJMMLSFTML-MRXNPFEDSA-N 1 1 319.412 3.246 10 0 DGAEMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccnc2ccccc12 ZINC000065407022 184338773 /nfs/dbraw/zinc/33/87/73/184338773.db2.gz MAOVLTRDTAOCLC-IBGZPJMESA-N 1 1 307.397 3.449 10 0 DGAEMO c1ccc2cc(C[N@H+]3CCCN(c4cccnn4)CC3)ccc2c1 ZINC000106071544 252625881 /nfs/dbraw/zinc/62/58/81/252625881.db2.gz HRCKVZHXAJUETK-UHFFFAOYSA-N 1 1 318.424 3.342 10 0 DGAEMO CCCCOC[C@H](O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000248651385 285014577 /nfs/dbraw/zinc/01/45/77/285014577.db2.gz MXYDLCKAXBMBNO-QILLFSRXSA-N 1 1 309.425 3.181 10 0 DGAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000248654667 285015129 /nfs/dbraw/zinc/01/51/29/285015129.db2.gz PQSXVVXLTAKIMW-KGLIPLIRSA-N 1 1 314.433 3.410 10 0 DGAEMO CCCCOC[C@H](O)C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000248644327 285013397 /nfs/dbraw/zinc/01/33/97/285013397.db2.gz FCXRJDBHUVWRKV-JQHSSLGASA-N 1 1 323.502 3.343 10 0 DGAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2cnc(-c3ccco3)s2)C1 ZINC000248734420 285021021 /nfs/dbraw/zinc/02/10/21/285021021.db2.gz NGZSTVFLYOZETR-GXTWGEPZSA-N 1 1 305.447 3.221 10 0 DGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NCc2cnc(-c3ccco3)s2)C1 ZINC000248734420 285021023 /nfs/dbraw/zinc/02/10/23/285021023.db2.gz NGZSTVFLYOZETR-GXTWGEPZSA-N 1 1 305.447 3.221 10 0 DGAEMO Cc1c([C@H](C)NCC[N@@H+]2CCCC[C@H]2C)cnn1C(C)(C)C ZINC000248678830 285017504 /nfs/dbraw/zinc/01/75/04/285017504.db2.gz BMZWJCUHQQWHPH-CABCVRRESA-N 1 1 306.498 3.472 10 0 DGAEMO Cc1c([C@H](C)NCC[N@H+]2CCCC[C@H]2C)cnn1C(C)(C)C ZINC000248678830 285017506 /nfs/dbraw/zinc/01/75/06/285017506.db2.gz BMZWJCUHQQWHPH-CABCVRRESA-N 1 1 306.498 3.472 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccnc(C)c2)C1 ZINC000119720814 195025558 /nfs/dbraw/zinc/02/55/58/195025558.db2.gz VPASNADQHPIRFG-OAHLLOKOSA-N 1 1 313.405 3.018 10 0 DGAEMO C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cnccn1 ZINC000119672922 195015080 /nfs/dbraw/zinc/01/50/80/195015080.db2.gz DFWDSXCOTWQWOS-WMZOPIPTSA-N 1 1 310.445 3.182 10 0 DGAEMO C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cnccn1 ZINC000119672922 195015083 /nfs/dbraw/zinc/01/50/83/195015083.db2.gz DFWDSXCOTWQWOS-WMZOPIPTSA-N 1 1 310.445 3.182 10 0 DGAEMO 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OKNQKFXSYXFQLQ-UHFFFAOYSA-N 1 1 318.461 3.325 10 0 DGAEMO NC(=[NH2+])c1ccc2nc(-c3ccc(-c4ccc(N)cc4)o3)[nH]c2c1 ZINC000026149165 431668105 /nfs/dbraw/zinc/66/81/05/431668105.db2.gz FPLVVLOQPAJKFE-UHFFFAOYSA-N 1 1 317.352 3.356 10 0 DGAEMO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000119332086 431678178 /nfs/dbraw/zinc/67/81/78/431678178.db2.gz HAHPTDUYTRXQQT-NUJGCVRESA-N 1 1 323.502 3.449 10 0 DGAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000119342187 431679014 /nfs/dbraw/zinc/67/90/14/431679014.db2.gz XEZQHELGFMNJEZ-RZAIGCCYSA-N 1 1 309.413 3.404 10 0 DGAEMO CSCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000119362181 431680574 /nfs/dbraw/zinc/68/05/74/431680574.db2.gz XPTULOMJPPMLNQ-GFCCVEGCSA-N 1 1 303.431 3.111 10 0 DGAEMO CCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H]1CCCCO1 ZINC000120730175 431732775 /nfs/dbraw/zinc/73/27/75/431732775.db2.gz CRWWJPFHBHDONY-INIZCTEOSA-N 1 1 307.434 3.485 10 0 DGAEMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C(C)C)n2C)C12CCCC2 ZINC000121120094 431748045 /nfs/dbraw/zinc/74/80/45/431748045.db2.gz XHSKSFNUAPXCOR-LSDHHAIUSA-N 1 1 320.481 3.108 10 0 DGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C(C)C)n2C)C12CCCC2 ZINC000121120094 431748053 /nfs/dbraw/zinc/74/80/53/431748053.db2.gz XHSKSFNUAPXCOR-LSDHHAIUSA-N 1 1 320.481 3.108 10 0 DGAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000122027701 431810063 /nfs/dbraw/zinc/81/00/63/431810063.db2.gz BXOWGVPNORVOPQ-AWEZNQCLSA-N 1 1 320.387 3.085 10 0 DGAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000122027701 431810068 /nfs/dbraw/zinc/81/00/68/431810068.db2.gz BXOWGVPNORVOPQ-AWEZNQCLSA-N 1 1 320.387 3.085 10 0 DGAEMO CC(C)NC(=O)CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084133116 431815690 /nfs/dbraw/zinc/81/56/90/431815690.db2.gz NKUUMZOWMOSHOW-UHFFFAOYSA-N 1 1 315.244 3.266 10 0 DGAEMO CC(C)NC(=O)CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084133116 431815693 /nfs/dbraw/zinc/81/56/93/431815693.db2.gz NKUUMZOWMOSHOW-UHFFFAOYSA-N 1 1 315.244 3.266 10 0 DGAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)C2CCC2)cc1 ZINC000086430734 431846209 /nfs/dbraw/zinc/84/62/09/431846209.db2.gz YQEDWXHTDDUZJL-ZDUSSCGKSA-N 1 1 312.417 3.436 10 0 DGAEMO C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000122979805 431851099 /nfs/dbraw/zinc/85/10/99/431851099.db2.gz XNAWZDVHACTSKC-DOTOQJQBSA-N 1 1 302.462 3.295 10 0 DGAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC000123112334 431855811 /nfs/dbraw/zinc/85/58/11/431855811.db2.gz QHJSEKKLSRNTPB-SFHVURJKSA-N 1 1 321.428 3.419 10 0 DGAEMO C[N@@H+]1CC[C@@H](NC(=O)NCC2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089659945 431873541 /nfs/dbraw/zinc/87/35/41/431873541.db2.gz MKJZODLRBBEUQJ-CVEARBPZSA-N 1 1 321.852 3.185 10 0 DGAEMO C[N@H+]1CC[C@@H](NC(=O)NCC2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089659945 431873542 /nfs/dbraw/zinc/87/35/42/431873542.db2.gz MKJZODLRBBEUQJ-CVEARBPZSA-N 1 1 321.852 3.185 10 0 DGAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C)cc1 ZINC000123270128 431860103 /nfs/dbraw/zinc/86/01/03/431860103.db2.gz GPLYLEVTYKGCNX-ZIAGYGMSSA-N 1 1 312.417 3.436 10 0 DGAEMO Cc1ccccc1OCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123310478 431861511 /nfs/dbraw/zinc/86/15/11/431861511.db2.gz KXZRQSWAITZNGQ-IAGOWNOFSA-N 1 1 318.461 3.095 10 0 DGAEMO CCc1cc(C)c(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)o1 ZINC000123599449 431868721 /nfs/dbraw/zinc/86/87/21/431868721.db2.gz OTHIKQBSCGUQAY-UHFFFAOYSA-N 1 1 310.357 3.292 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)[C@H](C)C1 ZINC000122232801 431822800 /nfs/dbraw/zinc/82/28/00/431822800.db2.gz OTYPMXMTUQESOU-CJNGLKHVSA-N 1 1 308.853 3.071 10 0 DGAEMO COCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)c1ccccc1 ZINC000036101002 431835167 /nfs/dbraw/zinc/83/51/67/431835167.db2.gz WQWWYQGDJMYFBK-QGZVFWFLSA-N 1 1 305.443 3.239 10 0 DGAEMO C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CCN1C ZINC000123734981 431872942 /nfs/dbraw/zinc/87/29/42/431872942.db2.gz OPKGISLLWUMYEM-BBRMVZONSA-N 1 1 323.868 3.083 10 0 DGAEMO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000122577424 431838592 /nfs/dbraw/zinc/83/85/92/431838592.db2.gz IGAVPGGTQPCRIA-LJQANCHMSA-N 1 1 313.445 3.018 10 0 DGAEMO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000122577424 431838595 /nfs/dbraw/zinc/83/85/95/431838595.db2.gz IGAVPGGTQPCRIA-LJQANCHMSA-N 1 1 313.445 3.018 10 0 DGAEMO CCC[C@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1ccccc1 ZINC000125110244 431913338 /nfs/dbraw/zinc/91/33/38/431913338.db2.gz NTVNATDKYYDJKT-HOTGVXAUSA-N 1 1 314.433 3.390 10 0 DGAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000125118829 431914772 /nfs/dbraw/zinc/91/47/72/431914772.db2.gz MTDBJNCDPFTAEN-GDBMZVCRSA-N 1 1 314.433 3.227 10 0 DGAEMO Cc1cc(C)n2c(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)cnc2n1 ZINC000093690121 431917375 /nfs/dbraw/zinc/91/73/75/431917375.db2.gz RUUUMDWRNBRISM-JKSUJKDBSA-N 1 1 316.474 3.206 10 0 DGAEMO Cc1cc(C)n2c(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)cnc2n1 ZINC000093690121 431917378 /nfs/dbraw/zinc/91/73/78/431917378.db2.gz 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ZINC000124044471 431881828 /nfs/dbraw/zinc/88/18/28/431881828.db2.gz GTFSKDJGZBXOPZ-WFASDCNBSA-N 1 1 305.447 3.318 10 0 DGAEMO c1ccc(CC[C@@H]2CCCC[N@@H+]2CCCN2CCOCC2)cc1 ZINC000090010514 431887894 /nfs/dbraw/zinc/88/78/94/431887894.db2.gz IGRSQEVTWFGOPP-FQEVSTJZSA-N 1 1 316.489 3.196 10 0 DGAEMO C[C@@H]1C[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000124518656 431896157 /nfs/dbraw/zinc/89/61/57/431896157.db2.gz BPISDGHRSCWZOQ-PEQKASONSA-N 1 1 304.478 3.144 10 0 DGAEMO CC[C@H](Sc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124591099 431899004 /nfs/dbraw/zinc/89/90/04/431899004.db2.gz XQWHWUDCZVQTRK-VYDXJSESSA-N 1 1 320.502 3.498 10 0 DGAEMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC000054805243 431972953 /nfs/dbraw/zinc/97/29/53/431972953.db2.gz RCGZJYRVWQTOGR-ZFWWWQNUSA-N 1 1 321.465 3.459 10 0 DGAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc3C2)o1 ZINC000193113806 280941892 /nfs/dbraw/zinc/94/18/92/280941892.db2.gz VKFCKPIOTAHULE-HUUCEWRRSA-N 1 1 312.413 3.212 10 0 DGAEMO CCCn1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cn1 ZINC000126172438 431943849 /nfs/dbraw/zinc/94/38/49/431943849.db2.gz SXJDSBZKALMZIF-LJQANCHMSA-N 1 1 313.445 3.165 10 0 DGAEMO COc1ccc(CC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126372329 431948964 /nfs/dbraw/zinc/94/89/64/431948964.db2.gz ZUVDEBGVWVNBHJ-IBGZPJMESA-N 1 1 313.397 3.017 10 0 DGAEMO COc1ccc(CC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126372329 431948966 /nfs/dbraw/zinc/94/89/66/431948966.db2.gz ZUVDEBGVWVNBHJ-IBGZPJMESA-N 1 1 313.397 3.017 10 0 DGAEMO O=C(CC[N@H+]1CCO[C@H]2CCCC[C@@H]21)Nc1ccccc1Cl ZINC000051996988 431953787 /nfs/dbraw/zinc/95/37/87/431953787.db2.gz ZJEBSIOEDOTRER-HOTGVXAUSA-N 1 1 322.836 3.312 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC(C)C)cc2F)C1 ZINC000052265187 431955735 /nfs/dbraw/zinc/95/57/35/431955735.db2.gz OMNQWLMAZTZISS-CYBMUJFWSA-N 1 1 323.412 3.219 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000052594478 431957468 /nfs/dbraw/zinc/95/74/68/431957468.db2.gz NEXHPGKNBXLESD-IAGOWNOFSA-N 1 1 301.434 3.017 10 0 DGAEMO OCCC[C@@H]1CCC[N@H+]1Cc1ccc(Br)s1 ZINC000052762152 431958727 /nfs/dbraw/zinc/95/87/27/431958727.db2.gz LCFJKFUNFPVLLG-JTQLQIEISA-N 1 1 304.253 3.248 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)[C@H](C)C1 ZINC000127297564 431968282 /nfs/dbraw/zinc/96/82/82/431968282.db2.gz YSZISLGBKUBGCR-BXKDBHETSA-N 1 1 318.248 3.124 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000127275791 431968396 /nfs/dbraw/zinc/96/83/96/431968396.db2.gz ULCOIAAPIFOXQV-KDOFPFPSSA-N 1 1 313.445 3.279 10 0 DGAEMO CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000054339956 431970114 /nfs/dbraw/zinc/97/01/14/431970114.db2.gz FSIHTRFNKSJTDT-GOEBONIOSA-N 1 1 309.450 3.254 10 0 DGAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)CSc1ccc(Cl)cc1)C2 ZINC000100243774 431981255 /nfs/dbraw/zinc/98/12/55/431981255.db2.gz XUJCMFOKNVUYGL-ZSOGYDGISA-N 1 1 324.877 3.174 10 0 DGAEMO 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316.405 3.091 10 0 DGAEMO C[C@@H]1CCCC[C@@H]1OCc1noc([C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000329506261 434425640 /nfs/dbraw/zinc/42/56/40/434425640.db2.gz HMNDGMJQOPLNSK-MCIONIFRSA-N 1 1 316.405 3.091 10 0 DGAEMO C[C@H]1[C@H](C(F)(F)F)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000450887401 434466329 /nfs/dbraw/zinc/46/63/29/434466329.db2.gz IMGQTSSKQZTYNN-DZGCQCFKSA-N 1 1 300.368 3.391 10 0 DGAEMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCN(C)Cc1ccccc1 ZINC000450887401 434466340 /nfs/dbraw/zinc/46/63/40/434466340.db2.gz IMGQTSSKQZTYNN-DZGCQCFKSA-N 1 1 300.368 3.391 10 0 DGAEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCN(C)Cc1ccccc1 ZINC000450887401 434466349 /nfs/dbraw/zinc/46/63/49/434466349.db2.gz IMGQTSSKQZTYNN-DZGCQCFKSA-N 1 1 300.368 3.391 10 0 DGAEMO CC(=O)c1cccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000450961268 434505159 /nfs/dbraw/zinc/50/51/59/434505159.db2.gz OYCRDLIPJWWTGV-MRXNPFEDSA-N 1 1 311.385 3.139 10 0 DGAEMO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000450908449 434479743 /nfs/dbraw/zinc/47/97/43/434479743.db2.gz RTOFGZURHKIFAH-LZQZEXGQSA-N 1 1 313.445 3.112 10 0 DGAEMO COc1cccc(C2=CC[N@@H+](C[C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000366849391 434523471 /nfs/dbraw/zinc/52/34/71/434523471.db2.gz QSBZALAXTCBFOP-OAHLLOKOSA-N 1 1 315.335 3.098 10 0 DGAEMO CSCCN1C[C@@H](C)[N@@H+](CCSC)CC12CCCC2 ZINC000451341509 434566272 /nfs/dbraw/zinc/56/62/72/434566272.db2.gz LVPPQAVKHKPQEW-CQSZACIVSA-N 1 1 302.553 3.031 10 0 DGAEMO CSCCN1CC2(CCCC2)[N@H+](CCSC)C[C@H]1C ZINC000451341509 434566282 /nfs/dbraw/zinc/56/62/82/434566282.db2.gz LVPPQAVKHKPQEW-CQSZACIVSA-N 1 1 302.553 3.031 10 0 DGAEMO CSCCN1CC2(CCCC2)[N@@H+](CCSC)C[C@H]1C ZINC000451341509 434566288 /nfs/dbraw/zinc/56/62/88/434566288.db2.gz LVPPQAVKHKPQEW-CQSZACIVSA-N 1 1 302.553 3.031 10 0 DGAEMO CCn1nncc1C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000459337635 434566698 /nfs/dbraw/zinc/56/66/98/434566698.db2.gz BHBIYIVQCOPBET-FQEVSTJZSA-N 1 1 318.424 3.446 10 0 DGAEMO CCn1nncc1C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000459337635 434566702 /nfs/dbraw/zinc/56/67/02/434566702.db2.gz BHBIYIVQCOPBET-FQEVSTJZSA-N 1 1 318.424 3.446 10 0 DGAEMO c1nc([C@@H](NC[C@H]2CC[N@H+]2C2CCCC2)C2CCCCC2)n[nH]1 ZINC000527999147 295163339 /nfs/dbraw/zinc/16/33/39/295163339.db2.gz FNROHDHLAWJJNN-SJORKVTESA-N 1 1 317.481 3.033 10 0 DGAEMO C[C@@H]([N@@H+](C)Cc1ccc(Br)c(F)c1F)C(C)(C)O ZINC000528515093 295222068 /nfs/dbraw/zinc/22/20/68/295222068.db2.gz ANWSYBBFMZITES-MRVPVSSYSA-N 1 1 322.193 3.319 10 0 DGAEMO O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000452401393 434594076 /nfs/dbraw/zinc/59/40/76/434594076.db2.gz XYUUTYARXSWEHA-BZSNNMDCSA-N 1 1 323.440 3.461 10 0 DGAEMO c1ccc(OCC2CC2)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000354044776 434594304 /nfs/dbraw/zinc/59/43/04/434594304.db2.gz MSDGDHKVIPZQEK-UHFFFAOYSA-N 1 1 301.430 3.478 10 0 DGAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(C)cc1C ZINC000261945647 295412187 /nfs/dbraw/zinc/41/21/87/295412187.db2.gz LADSEURZOHMPET-GOSISDBHSA-N 1 1 324.424 3.099 10 0 DGAEMO COCCC1(C)C[NH+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000459638426 434643041 /nfs/dbraw/zinc/64/30/41/434643041.db2.gz ZYZLXOWBIQHIKO-UHFFFAOYSA-N 1 1 307.434 3.341 10 0 DGAEMO CC1=CC[N@@H+](CCNC(=O)N(CC(C)C)C2CCCC2)CC1 ZINC000460223454 434747958 /nfs/dbraw/zinc/74/79/58/434747958.db2.gz AMEDEOJZTHGQKI-UHFFFAOYSA-N 1 1 307.482 3.249 10 0 DGAEMO C[C@H]1C[C@H](NC(=O)Cc2csc3ccccc23)C[N@H+]1C1CC1 ZINC000440929219 434753361 /nfs/dbraw/zinc/75/33/61/434753361.db2.gz QCQPZIRPHDBEFU-JSGCOSHPSA-N 1 1 314.454 3.185 10 0 DGAEMO c1c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000354378968 434742517 /nfs/dbraw/zinc/74/25/17/434742517.db2.gz DAYSEJRDWFLVJI-LJQANCHMSA-N 1 1 323.440 3.468 10 0 DGAEMO C[N@H+](CCCO)CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000440940559 434757360 /nfs/dbraw/zinc/75/73/60/434757360.db2.gz HHQCREWVMVIYJL-UHFFFAOYSA-N 1 1 322.408 3.332 10 0 DGAEMO C[N@@H+](CCCO)CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000440940559 434757365 /nfs/dbraw/zinc/75/73/65/434757365.db2.gz HHQCREWVMVIYJL-UHFFFAOYSA-N 1 1 322.408 3.332 10 0 DGAEMO C[N@@H+](CCCO)Cc1cccc2c(Br)cccc12 ZINC000440956522 434757747 /nfs/dbraw/zinc/75/77/47/434757747.db2.gz YMSRUTQOTQVSFJ-UHFFFAOYSA-N 1 1 308.219 3.417 10 0 DGAEMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000245756180 297258306 /nfs/dbraw/zinc/25/83/06/297258306.db2.gz OYQYQUNNNRPOQX-FHLIZLRMSA-N 1 1 300.446 3.121 10 0 DGAEMO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453104483 434802831 /nfs/dbraw/zinc/80/28/31/434802831.db2.gz UENOBBSDHPLOOV-YSTOQKLRSA-N 1 1 314.473 3.198 10 0 DGAEMO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1C ZINC000411625981 434810642 /nfs/dbraw/zinc/81/06/42/434810642.db2.gz YFDHCPCRPSQVJE-GYSYKLTISA-N 1 1 304.434 3.383 10 0 DGAEMO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1C ZINC000411625981 434810646 /nfs/dbraw/zinc/81/06/46/434810646.db2.gz YFDHCPCRPSQVJE-GYSYKLTISA-N 1 1 304.434 3.383 10 0 DGAEMO 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/nfs/dbraw/zinc/94/56/68/434945668.db2.gz LPLVALWJQCLFAF-HNNXBMFYSA-N 1 1 322.412 3.036 10 0 DGAEMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000523391322 434945670 /nfs/dbraw/zinc/94/56/70/434945670.db2.gz LPLVALWJQCLFAF-HNNXBMFYSA-N 1 1 322.412 3.036 10 0 DGAEMO CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000524018250 434969007 /nfs/dbraw/zinc/96/90/07/434969007.db2.gz MFJHQUMZNFWKMD-INIZCTEOSA-N 1 1 306.425 3.094 10 0 DGAEMO CCOC1CC([N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000554282610 434921065 /nfs/dbraw/zinc/92/10/65/434921065.db2.gz CGGXLWVLRGPTJH-UHFFFAOYSA-N 1 1 301.390 3.044 10 0 DGAEMO CCOC1CC([N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000554282610 434921069 /nfs/dbraw/zinc/92/10/69/434921069.db2.gz CGGXLWVLRGPTJH-UHFFFAOYSA-N 1 1 301.390 3.044 10 0 DGAEMO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000522344469 434922574 /nfs/dbraw/zinc/92/25/74/434922574.db2.gz BHRRUXBXCOQXKE-MSOLQXFVSA-N 1 1 315.461 3.233 10 0 DGAEMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000522460535 434925281 /nfs/dbraw/zinc/92/52/81/434925281.db2.gz JVAKTMGHNZKYJN-CQSZACIVSA-N 1 1 319.449 3.327 10 0 DGAEMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794788 434929191 /nfs/dbraw/zinc/92/91/91/434929191.db2.gz XIXXQIZYDMSJCU-HNNXBMFYSA-N 1 1 320.477 3.462 10 0 DGAEMO C[C@@H](CNC(=O)N1CCC2(C1)CCCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000465531756 435032090 /nfs/dbraw/zinc/03/20/90/435032090.db2.gz BRODGAGEPFOFBD-IRXDYDNUSA-N 1 1 321.509 3.473 10 0 DGAEMO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)CCCO1 ZINC000555911109 434989495 /nfs/dbraw/zinc/98/94/95/434989495.db2.gz GDCMANLRZRYSBF-OAHLLOKOSA-N 1 1 301.390 3.046 10 0 DGAEMO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)CCCO1 ZINC000555911109 434989499 /nfs/dbraw/zinc/98/94/99/434989499.db2.gz GDCMANLRZRYSBF-OAHLLOKOSA-N 1 1 301.390 3.046 10 0 DGAEMO CC[C@H]1C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)CCCO1 ZINC000555911108 434990793 /nfs/dbraw/zinc/99/07/93/434990793.db2.gz GDCMANLRZRYSBF-HNNXBMFYSA-N 1 1 301.390 3.046 10 0 DGAEMO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)CCCO1 ZINC000555911108 434990796 /nfs/dbraw/zinc/99/07/96/434990796.db2.gz GDCMANLRZRYSBF-HNNXBMFYSA-N 1 1 301.390 3.046 10 0 DGAEMO CC(C)[C@H](C)CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000524802138 434991471 /nfs/dbraw/zinc/99/14/71/434991471.db2.gz RXCAHIHKACYOSO-IAGOWNOFSA-N 1 1 317.477 3.194 10 0 DGAEMO CC(C)[C@H](C)CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524802138 434991476 /nfs/dbraw/zinc/99/14/76/434991476.db2.gz RXCAHIHKACYOSO-IAGOWNOFSA-N 1 1 317.477 3.194 10 0 DGAEMO CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC000524854469 434993470 /nfs/dbraw/zinc/99/34/70/434993470.db2.gz HZVCVLSKAJPHEO-SJLPKXTDSA-N 1 1 302.462 3.274 10 0 DGAEMO C(=C\c1ccccc1)\CC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000556226633 434999871 /nfs/dbraw/zinc/99/98/71/434999871.db2.gz CIEXKFXVUMBKPQ-YWEYNIOJSA-N 1 1 301.430 3.361 10 0 DGAEMO c1ccc2c(c1)CCCN2CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556518627 435010837 /nfs/dbraw/zinc/01/08/37/435010837.db2.gz IWUAKUDPCYSMPN-MOPGFXCFSA-N 1 1 300.446 3.083 10 0 DGAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000465844677 435046889 /nfs/dbraw/zinc/04/68/89/435046889.db2.gz SSTHHFRNYAKXMQ-PMPSAXMXSA-N 1 1 321.465 3.493 10 0 DGAEMO c1ccc(-c2noc(C[N@H+]3CCC[C@]4(CCCOC4)C3)n2)cc1 ZINC000530865696 435056329 /nfs/dbraw/zinc/05/63/29/435056329.db2.gz RUPMSSNGXWBKNU-SFHVURJKSA-N 1 1 313.401 3.129 10 0 DGAEMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000531614647 435104295 /nfs/dbraw/zinc/10/42/95/435104295.db2.gz WXVXNRFRXJKYOM-OAHLLOKOSA-N 1 1 304.434 3.068 10 0 DGAEMO Cc1cc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)nc(C)[nH+]1 ZINC000531601042 435104883 /nfs/dbraw/zinc/10/48/83/435104883.db2.gz UXUCSPUZSYFXBZ-AWEZNQCLSA-N 1 1 305.422 3.042 10 0 DGAEMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470941502 435135778 /nfs/dbraw/zinc/13/57/78/435135778.db2.gz WMOQJWAAVZBALD-XJFOESAGSA-N 1 1 320.399 3.439 10 0 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ZINC000089427262 431865850 /nfs/dbraw/zinc/86/58/50/431865850.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 1 1 302.418 3.037 10 0 DGAEMO COc1c(C)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1C ZINC000123551005 431868240 /nfs/dbraw/zinc/86/82/40/431868240.db2.gz CGGUTLHZQWZHJI-UHFFFAOYSA-N 1 1 318.461 3.002 10 0 DGAEMO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccccc1Br ZINC000123597144 431868889 /nfs/dbraw/zinc/86/88/89/431868889.db2.gz ROVGFPJFRWNMKR-LLVKDONJSA-N 1 1 308.223 3.342 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)c2csc3ccccc23)CC[N@H+]1C ZINC000123618826 431870098 /nfs/dbraw/zinc/87/00/98/431870098.db2.gz MYGNJOYTTLISQY-STQMWFEESA-N 1 1 302.443 3.456 10 0 DGAEMO Cc1ccc(/C=C/CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000084743502 431833382 /nfs/dbraw/zinc/83/33/82/431833382.db2.gz KEOIEBGJAGSOEW-ZVVFDCPKSA-N 1 1 300.446 3.246 10 0 DGAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092708492 431910598 /nfs/dbraw/zinc/91/05/98/431910598.db2.gz AWHHSPUPRZBXST-ZNNBYXKUSA-N 1 1 304.409 3.220 10 0 DGAEMO Cc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c2ccccc2n1 ZINC000125034430 431912269 /nfs/dbraw/zinc/91/22/69/431912269.db2.gz LDJLLLCRTLEJAA-OAHLLOKOSA-N 1 1 306.413 3.266 10 0 DGAEMO C/C(=C/c1ccccc1)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000093271951 431914505 /nfs/dbraw/zinc/91/45/05/431914505.db2.gz BNPYYSJUDQUOEI-ICFOKQHNSA-N 1 1 322.456 3.401 10 0 DGAEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000125119580 431914603 /nfs/dbraw/zinc/91/46/03/431914603.db2.gz MTDBJNCDPFTAEN-HOCLYGCPSA-N 1 1 314.433 3.227 10 0 DGAEMO OCc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095078396 431920938 /nfs/dbraw/zinc/92/09/38/431920938.db2.gz PRJAJGVBRODZMR-QGZVFWFLSA-N 1 1 321.424 3.193 10 0 DGAEMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088794 431921114 /nfs/dbraw/zinc/92/11/14/431921114.db2.gz ZEQIZGLYRCWMAZ-GJZGRUSLSA-N 1 1 319.449 3.474 10 0 DGAEMO CC(C)(C)OC(=O)N1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000095083510 431921375 /nfs/dbraw/zinc/92/13/75/431921375.db2.gz OSDUDPQWLGJWGL-UHFFFAOYSA-N 1 1 316.405 3.374 10 0 DGAEMO C[C@H](c1ccccn1)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088752 431921425 /nfs/dbraw/zinc/92/14/25/431921425.db2.gz LCYMQQMRCPFCAX-KGLIPLIRSA-N 1 1 305.422 3.084 10 0 DGAEMO C[C@@H](c1ccccn1)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088751 431921623 /nfs/dbraw/zinc/92/16/23/431921623.db2.gz LCYMQQMRCPFCAX-KBPBESRZSA-N 1 1 305.422 3.084 10 0 DGAEMO C[N@@H+](CCCNC(=O)c1scnc1C1CC1)C1CCCCC1 ZINC000089695761 431874742 /nfs/dbraw/zinc/87/47/42/431874742.db2.gz APTWTPLWRZTLCK-UHFFFAOYSA-N 1 1 321.490 3.405 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000123832279 431875993 /nfs/dbraw/zinc/87/59/93/431875993.db2.gz BUTPBZZHSJTKFQ-YOEHRIQHSA-N 1 1 318.436 3.189 10 0 DGAEMO Cc1[nH]c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2c1C ZINC000048386531 431925274 /nfs/dbraw/zinc/92/52/74/431925274.db2.gz ATFUGLRFGGQXJI-INIZCTEOSA-N 1 1 311.429 3.095 10 0 DGAEMO Cc1[nH]c2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2c1C ZINC000048386531 431925275 /nfs/dbraw/zinc/92/52/75/431925275.db2.gz ATFUGLRFGGQXJI-INIZCTEOSA-N 1 1 311.429 3.095 10 0 DGAEMO CC(C)COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123899383 431877614 /nfs/dbraw/zinc/87/76/14/431877614.db2.gz QGZCNZKDLIXQLH-DOTOQJQBSA-N 1 1 318.461 3.276 10 0 DGAEMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000089931338 431886617 /nfs/dbraw/zinc/88/66/17/431886617.db2.gz WHYVDTAZVMYYBF-PWSUYJOCSA-N 1 1 316.214 3.181 10 0 DGAEMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000089931338 431886618 /nfs/dbraw/zinc/88/66/18/431886618.db2.gz WHYVDTAZVMYYBF-PWSUYJOCSA-N 1 1 316.214 3.181 10 0 DGAEMO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000089934418 431886815 /nfs/dbraw/zinc/88/68/15/431886815.db2.gz IEHDMLGBAIGUMF-HZPDHXFCSA-N 1 1 321.852 3.279 10 0 DGAEMO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000089934418 431886817 /nfs/dbraw/zinc/88/68/17/431886817.db2.gz IEHDMLGBAIGUMF-HZPDHXFCSA-N 1 1 321.852 3.279 10 0 DGAEMO Cc1csc([C@H]2C[N@H+](CCc3ccc(C)cc3)CCO2)n1 ZINC000124302464 431889524 /nfs/dbraw/zinc/88/95/24/431889524.db2.gz YVFARZGEXXLOSB-MRXNPFEDSA-N 1 1 302.443 3.376 10 0 DGAEMO Cc1csc([C@H]2C[N@@H+](CCc3ccc(C)cc3)CCO2)n1 ZINC000124302464 431889528 /nfs/dbraw/zinc/88/95/28/431889528.db2.gz YVFARZGEXXLOSB-MRXNPFEDSA-N 1 1 302.443 3.376 10 0 DGAEMO COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124309566 431890112 /nfs/dbraw/zinc/89/01/12/431890112.db2.gz MWSIMPCXMWUUOP-OAGGEKHMSA-N 1 1 318.461 3.130 10 0 DGAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CSCCc2ccccc21 ZINC000090227402 431890731 /nfs/dbraw/zinc/89/07/31/431890731.db2.gz BZOJJGSKDNJSDN-HZPDHXFCSA-N 1 1 314.458 3.042 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2O)CC[N@H+]1C ZINC000124747940 431903212 /nfs/dbraw/zinc/90/32/12/431903212.db2.gz RAWDXUJWJCSLOY-ZFWWWQNUSA-N 1 1 312.413 3.100 10 0 DGAEMO FC(F)COc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978831 431906314 /nfs/dbraw/zinc/90/63/14/431906314.db2.gz JTUKHWWENHALAC-JKSUJKDBSA-N 1 1 311.372 3.474 10 0 DGAEMO CCN1CC[C@@H]([NH2+]CCCCOCc2ccccc2)[C@H](C)C1 ZINC000127458844 431972838 /nfs/dbraw/zinc/97/28/38/431972838.db2.gz BEQCRDLVJLNZMB-IEBWSBKVSA-N 1 1 304.478 3.303 10 0 DGAEMO Cc1ccccc1NC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055022472 431974819 /nfs/dbraw/zinc/97/48/19/431974819.db2.gz VERYGKRTJJFBHE-UHFFFAOYSA-N 1 1 300.377 3.247 10 0 DGAEMO Cc1ccccc1NC(=O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022472 431974822 /nfs/dbraw/zinc/97/48/22/431974822.db2.gz VERYGKRTJJFBHE-UHFFFAOYSA-N 1 1 300.377 3.247 10 0 DGAEMO CCCn1cc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)cn1 ZINC000127573168 431976179 /nfs/dbraw/zinc/97/61/79/431976179.db2.gz LTWANMXKQHSHSJ-OAHLLOKOSA-N 1 1 304.463 3.438 10 0 DGAEMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127653527 431977451 /nfs/dbraw/zinc/97/74/51/431977451.db2.gz CWTZLULXFNPGSB-CQSZACIVSA-N 1 1 323.506 3.314 10 0 DGAEMO CC[C@@H](C)[N@@H+](Cc1ccncc1)CC(C)(C)CN1CCOCC1 ZINC000055211696 431978242 /nfs/dbraw/zinc/97/82/42/431978242.db2.gz ZHQPHXIKECHBBW-QGZVFWFLSA-N 1 1 319.493 3.041 10 0 DGAEMO C[C@@](O)(C[N@@H+]1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000125625092 431931793 /nfs/dbraw/zinc/93/17/93/431931793.db2.gz DCJOGLJYQTVDFD-DLBZAZTESA-N 1 1 303.427 3.029 10 0 DGAEMO C[C@@](O)(C[N@H+]1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000125625092 431931795 /nfs/dbraw/zinc/93/17/95/431931795.db2.gz DCJOGLJYQTVDFD-DLBZAZTESA-N 1 1 303.427 3.029 10 0 DGAEMO CCCn1cc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cn1 ZINC000126172650 431943334 /nfs/dbraw/zinc/94/33/34/431943334.db2.gz SXJDSBZKALMZIF-IBGZPJMESA-N 1 1 313.445 3.165 10 0 DGAEMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000051381274 431950769 /nfs/dbraw/zinc/95/07/69/431950769.db2.gz AOBGVCVFDSNGCU-UHFFFAOYSA-N 1 1 315.442 3.011 10 0 DGAEMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000051381274 431950772 /nfs/dbraw/zinc/95/07/72/431950772.db2.gz AOBGVCVFDSNGCU-UHFFFAOYSA-N 1 1 315.442 3.011 10 0 DGAEMO CC1(C)CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000127133884 431965551 /nfs/dbraw/zinc/96/55/51/431965551.db2.gz YGYDUOSKYMZGFD-ZDUSSCGKSA-N 1 1 320.399 3.299 10 0 DGAEMO CC1(C)CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000127134126 431965651 /nfs/dbraw/zinc/96/56/51/431965651.db2.gz YGYDUOSKYMZGFD-CYBMUJFWSA-N 1 1 320.399 3.299 10 0 DGAEMO C[C@@H](c1nccs1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248393 431981793 /nfs/dbraw/zinc/98/17/93/431981793.db2.gz RJUGZSFBMFTXPI-RYUDHWBXSA-N 1 1 311.451 3.051 10 0 DGAEMO C[C@@H](c1nccs1)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248393 431981794 /nfs/dbraw/zinc/98/17/94/431981794.db2.gz RJUGZSFBMFTXPI-RYUDHWBXSA-N 1 1 311.451 3.051 10 0 DGAEMO CC[C@@H](C)Oc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000056752838 431988969 /nfs/dbraw/zinc/98/89/69/431988969.db2.gz RZWNQRGYKASCBT-GDBMZVCRSA-N 1 1 319.449 3.470 10 0 DGAEMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnc3nc(C)cc(C)n23)n1 ZINC000093453400 281256219 /nfs/dbraw/zinc/25/62/19/281256219.db2.gz LGCVSXCCERAUOD-GOSISDBHSA-N 1 1 321.428 3.387 10 0 DGAEMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc3nc(C)cc(C)n23)n1 ZINC000093453400 281256221 /nfs/dbraw/zinc/25/62/21/281256221.db2.gz LGCVSXCCERAUOD-GOSISDBHSA-N 1 1 321.428 3.387 10 0 DGAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C(F)F)c3)CC[C@H]21 ZINC000248134587 432270284 /nfs/dbraw/zinc/27/02/84/432270284.db2.gz OXCWMWMTJNIKKV-HUUCEWRRSA-N 1 1 308.372 3.181 10 0 DGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000173332998 432271345 /nfs/dbraw/zinc/27/13/45/432271345.db2.gz PCRZVYJEZUQYDG-LSDHHAIUSA-N 1 1 307.825 3.431 10 0 DGAEMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732399 432272313 /nfs/dbraw/zinc/27/23/13/432272313.db2.gz IYZHLIBTAFTNRF-AWEZNQCLSA-N 1 1 305.397 3.273 10 0 DGAEMO CC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248146599 432272437 /nfs/dbraw/zinc/27/24/37/432272437.db2.gz ZTXLHJPONMFDAI-OALUTQOASA-N 1 1 322.408 3.064 10 0 DGAEMO 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ZINC000358785370 286153810 /nfs/dbraw/zinc/15/38/10/286153810.db2.gz ZYNGEOWNVXISKS-KBPBESRZSA-N 1 1 302.409 3.193 10 0 DGAEMO COC(=O)[C@@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000358805034 286158352 /nfs/dbraw/zinc/15/83/52/286158352.db2.gz FGNJLOASSUAVIZ-IRXDYDNUSA-N 1 1 303.377 3.303 10 0 DGAEMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](C)CS(C)(=O)=O)o1 ZINC000246671287 292226729 /nfs/dbraw/zinc/22/67/29/292226729.db2.gz XEIXDQRSEXEBPA-YDHLFZDLSA-N 1 1 313.463 3.042 10 0 DGAEMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](C)CS(C)(=O)=O)o1 ZINC000246671287 292226730 /nfs/dbraw/zinc/22/67/30/292226730.db2.gz XEIXDQRSEXEBPA-YDHLFZDLSA-N 1 1 313.463 3.042 10 0 DGAEMO Cc1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)n1 ZINC000358952836 286196542 /nfs/dbraw/zinc/19/65/42/286196542.db2.gz ZUYCXFLMHOHODR-LLVKDONJSA-N 1 1 306.207 3.398 10 0 DGAEMO Cn1ccc([C@H]([NH2+]C[C@H](O)CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000359240184 286267164 /nfs/dbraw/zinc/26/71/64/286267164.db2.gz YEMGAQYDWPOECE-NVXWUHKLSA-N 1 1 319.424 3.035 10 0 DGAEMO COc1ccc(OC)c(C[N@@H+](C[C@@H]2CC[C@H](C)O2)C2CC2)c1 ZINC000190299214 286342440 /nfs/dbraw/zinc/34/24/40/286342440.db2.gz JMDWTRMWWFLGRA-GUYCJALGSA-N 1 1 305.418 3.236 10 0 DGAEMO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000359608198 286346048 /nfs/dbraw/zinc/34/60/48/286346048.db2.gz IIJJSTJZJQEHNL-CYBMUJFWSA-N 1 1 301.308 3.089 10 0 DGAEMO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000359608198 286346051 /nfs/dbraw/zinc/34/60/51/286346051.db2.gz IIJJSTJZJQEHNL-CYBMUJFWSA-N 1 1 301.308 3.089 10 0 DGAEMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(C(F)(F)F)CCC1 ZINC000359759061 286376218 /nfs/dbraw/zinc/37/62/18/286376218.db2.gz SOVXOQVAPRGCTE-LBPRGKRZSA-N 1 1 306.372 3.100 10 0 DGAEMO C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000364389479 287021330 /nfs/dbraw/zinc/02/13/30/287021330.db2.gz VGFDTTPMVGAVIO-QXAKKESOSA-N 1 1 306.494 3.046 10 0 DGAEMO CCCN(CC1CC1)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364768495 287059807 /nfs/dbraw/zinc/05/98/07/287059807.db2.gz IZNKVGQCBKCIGJ-AWEZNQCLSA-N 1 1 303.450 3.287 10 0 DGAEMO Cc1coc(-c2cccc(NC(=O)c3c[nH+]ccc3N(C)C)c2)n1 ZINC000183899906 164962335 /nfs/dbraw/zinc/96/23/35/164962335.db2.gz CGNHIEPRBUBIMX-UHFFFAOYSA-N 1 1 322.368 3.363 10 0 DGAEMO COCC1=CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000185835694 165017496 /nfs/dbraw/zinc/01/74/96/165017496.db2.gz UBMDZBIIYBMZPY-UHFFFAOYSA-N 1 1 302.349 3.259 10 0 DGAEMO COCC1=CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000185835694 165017497 /nfs/dbraw/zinc/01/74/97/165017497.db2.gz UBMDZBIIYBMZPY-UHFFFAOYSA-N 1 1 302.349 3.259 10 0 DGAEMO Cc1oc2ccccc2c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000185896897 165019894 /nfs/dbraw/zinc/01/98/94/165019894.db2.gz UQCMBBDOOFEQLR-GDBMZVCRSA-N 1 1 312.413 3.298 10 0 DGAEMO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186200566 165032531 /nfs/dbraw/zinc/03/25/31/165032531.db2.gz AWKUMDXSDKVWSW-CQSZACIVSA-N 1 1 300.446 3.227 10 0 DGAEMO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186200566 165032533 /nfs/dbraw/zinc/03/25/33/165032533.db2.gz AWKUMDXSDKVWSW-CQSZACIVSA-N 1 1 300.446 3.227 10 0 DGAEMO Cc1ncc(CN(C)CC[N@@H+](C)Cc2ccc(F)cc2)s1 ZINC000186684325 165055152 /nfs/dbraw/zinc/05/51/52/165055152.db2.gz RHIIFIHVRFQGCJ-UHFFFAOYSA-N 1 1 307.438 3.154 10 0 DGAEMO C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3Cl)o2)CC[C@@H]1O ZINC000186796060 165059638 /nfs/dbraw/zinc/05/96/38/165059638.db2.gz QCPLWMQSDIFNBP-FZMZJTMJSA-N 1 1 306.793 3.198 10 0 DGAEMO C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)CC[C@@H]1O ZINC000186796060 165059643 /nfs/dbraw/zinc/05/96/43/165059643.db2.gz QCPLWMQSDIFNBP-FZMZJTMJSA-N 1 1 306.793 3.198 10 0 DGAEMO CN1CCN([C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000186853297 165064172 /nfs/dbraw/zinc/06/41/72/165064172.db2.gz VCINKHUIEVSYAA-LJQANCHMSA-N 1 1 307.526 3.059 10 0 DGAEMO CCCc1cccc(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000186948204 165066937 /nfs/dbraw/zinc/06/69/37/165066937.db2.gz 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ZINC000187570839 165095656 /nfs/dbraw/zinc/09/56/56/165095656.db2.gz OASAJEXPHZNVMZ-LPHOPBHVSA-N 1 1 310.445 3.182 10 0 DGAEMO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1cnccn1 ZINC000187570839 165095658 /nfs/dbraw/zinc/09/56/58/165095658.db2.gz OASAJEXPHZNVMZ-LPHOPBHVSA-N 1 1 310.445 3.182 10 0 DGAEMO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)n1 ZINC000188119704 165113104 /nfs/dbraw/zinc/11/31/04/165113104.db2.gz XVDJZHCCHUBTON-YUTCNCBUSA-N 1 1 321.446 3.023 10 0 DGAEMO CC(C)c1noc([C@H](C)[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)n1 ZINC000188119704 165113109 /nfs/dbraw/zinc/11/31/09/165113109.db2.gz XVDJZHCCHUBTON-YUTCNCBUSA-N 1 1 321.446 3.023 10 0 DGAEMO Fc1ccc(NC2CC[NH+](Cc3ccc(F)nc3)CC2)cc1 ZINC000189305073 165159192 /nfs/dbraw/zinc/15/91/92/165159192.db2.gz WZRFUFGSFPKNFU-UHFFFAOYSA-N 1 1 303.356 3.436 10 0 DGAEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2)cs1 ZINC000189779470 165176740 /nfs/dbraw/zinc/17/67/40/165176740.db2.gz KCSPTKGOVQHUPJ-YOEHRIQHSA-N 1 1 318.442 3.028 10 0 DGAEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2)cs1 ZINC000189779470 165176743 /nfs/dbraw/zinc/17/67/43/165176743.db2.gz KCSPTKGOVQHUPJ-YOEHRIQHSA-N 1 1 318.442 3.028 10 0 DGAEMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)[C@@H]1CO ZINC000190344214 165198369 /nfs/dbraw/zinc/19/83/69/165198369.db2.gz BLDUQMLALICMDX-BXUZGUMPSA-N 1 1 306.793 3.198 10 0 DGAEMO CCC(C)(C)CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000190479039 165205421 /nfs/dbraw/zinc/20/54/21/165205421.db2.gz BLDCZCYLMOKKAW-UHFFFAOYSA-N 1 1 318.465 3.094 10 0 DGAEMO CCn1cc([C@H]2C[N@H+](CCCSCC(C)C)CCO2)cn1 ZINC000190831621 165217180 /nfs/dbraw/zinc/21/71/80/165217180.db2.gz AFZXMXJJWSURMB-MRXNPFEDSA-N 1 1 311.495 3.056 10 0 DGAEMO CCn1cc([C@H]2C[N@@H+](CCCSCC(C)C)CCO2)cn1 ZINC000190831621 165217185 /nfs/dbraw/zinc/21/71/85/165217185.db2.gz AFZXMXJJWSURMB-MRXNPFEDSA-N 1 1 311.495 3.056 10 0 DGAEMO CC(C)OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191242310 165238015 /nfs/dbraw/zinc/23/80/15/165238015.db2.gz DLXOAQMYOSHIDR-HNNXBMFYSA-N 1 1 319.367 3.227 10 0 DGAEMO CCN(C)c1ccc(C[N@@H+](CC)CCc2nccs2)cn1 ZINC000191418088 165248249 /nfs/dbraw/zinc/24/82/49/165248249.db2.gz FFACFFDSAHCLAJ-UHFFFAOYSA-N 1 1 304.463 3.059 10 0 DGAEMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191531027 165257949 /nfs/dbraw/zinc/25/79/49/165257949.db2.gz PNVALYQKEGWAIZ-CYBMUJFWSA-N 1 1 310.388 3.011 10 0 DGAEMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000191621084 165262575 /nfs/dbraw/zinc/26/25/75/165262575.db2.gz PXJBVLNJXQLQIP-RDTXWAMCSA-N 1 1 315.461 3.188 10 0 DGAEMO COC(=O)[C@@H](C)[N@H+](Cc1cc(F)cc2cccnc21)C1CCC1 ZINC000192387506 165291028 /nfs/dbraw/zinc/29/10/28/165291028.db2.gz YCBFHRUIUHGYAP-GFCCVEGCSA-N 1 1 316.376 3.290 10 0 DGAEMO COC(=O)[C@@H](C)[N@@H+](Cc1cc(F)cc2cccnc21)C1CCC1 ZINC000192387506 165291032 /nfs/dbraw/zinc/29/10/32/165291032.db2.gz YCBFHRUIUHGYAP-GFCCVEGCSA-N 1 1 316.376 3.290 10 0 DGAEMO Cc1csc2c1ncnc2N(C)CCCn1cc[nH+]c1C ZINC000192707119 165301771 /nfs/dbraw/zinc/30/17/71/165301771.db2.gz RYIDKPLCABYNSW-UHFFFAOYSA-N 1 1 301.419 3.031 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(COC(C)C)cc2)C1 ZINC000194418457 165345162 /nfs/dbraw/zinc/34/51/62/165345162.db2.gz ALBPWLAWPVSIBL-QGZVFWFLSA-N 1 1 319.449 3.217 10 0 DGAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)n1 ZINC000195323641 165366028 /nfs/dbraw/zinc/36/60/28/165366028.db2.gz GMACHKYWIBBRJQ-GFCCVEGCSA-N 1 1 304.419 3.092 10 0 DGAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)n1 ZINC000195323641 165366031 /nfs/dbraw/zinc/36/60/31/165366031.db2.gz GMACHKYWIBBRJQ-GFCCVEGCSA-N 1 1 304.419 3.092 10 0 DGAEMO C[N@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1Br ZINC000226453368 165382951 /nfs/dbraw/zinc/38/29/51/165382951.db2.gz BETQZXHBNKLZDV-LBPRGKRZSA-N 1 1 317.658 3.286 10 0 DGAEMO CN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000226453368 165382955 /nfs/dbraw/zinc/38/29/55/165382955.db2.gz BETQZXHBNKLZDV-LBPRGKRZSA-N 1 1 317.658 3.286 10 0 DGAEMO OCC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 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NBFYLNMYWAVVHZ-OAHLLOKOSA-N 1 1 314.404 3.305 10 0 DGAEMO COCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163151 432271403 /nfs/dbraw/zinc/27/14/03/432271403.db2.gz SLYLBGKPMVIPBF-OALUTQOASA-N 1 1 302.462 3.009 10 0 DGAEMO COCCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163151 432271408 /nfs/dbraw/zinc/27/14/08/432271408.db2.gz SLYLBGKPMVIPBF-OALUTQOASA-N 1 1 302.462 3.009 10 0 DGAEMO COc1cccc(OCC[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000151752145 432273252 /nfs/dbraw/zinc/27/32/52/432273252.db2.gz SGEHYLKTECRZPW-AWEZNQCLSA-N 1 1 318.442 3.410 10 0 DGAEMO CCCCN(CC)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173373810 432274099 /nfs/dbraw/zinc/27/40/99/432274099.db2.gz DAQMRXNELYKHMH-UHFFFAOYSA-N 1 1 318.465 3.190 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000151810007 432279334 /nfs/dbraw/zinc/27/93/34/432279334.db2.gz WKQUGDDTZYYWJJ-OAHLLOKOSA-N 1 1 304.438 3.125 10 0 DGAEMO c1cc(-c2nc(CN3CC[N@H+]4CCCC[C@H]4C3)cs2)co1 ZINC000248334238 432279793 /nfs/dbraw/zinc/27/97/93/432279793.db2.gz GAPFVRMERIOYLN-HNNXBMFYSA-N 1 1 303.431 3.073 10 0 DGAEMO Nc1nc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000248391347 432283536 /nfs/dbraw/zinc/28/35/36/432283536.db2.gz UXTLIARVNNWREB-HUUCEWRRSA-N 1 1 314.458 3.072 10 0 DGAEMO Nc1nc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000248391347 432283538 /nfs/dbraw/zinc/28/35/38/432283538.db2.gz UXTLIARVNNWREB-HUUCEWRRSA-N 1 1 314.458 3.072 10 0 DGAEMO COc1ccc(C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H](C)C2CC2)cc1 ZINC000248401487 432284417 /nfs/dbraw/zinc/28/44/17/432284417.db2.gz ZQKVGGOVNOZXFU-IAQYHMDHSA-N 1 1 317.351 3.219 10 0 DGAEMO C[C@@](O)(C[NH2+]Cc1c[nH]c(-c2ccccc2)n1)C1CCCCC1 ZINC000191668707 432288447 /nfs/dbraw/zinc/28/84/47/432288447.db2.gz LNMMAEDRSMVRHH-LJQANCHMSA-N 1 1 313.445 3.498 10 0 DGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2scnc2C2CCCC2)C1 ZINC000248429327 432289694 /nfs/dbraw/zinc/28/96/94/432289694.db2.gz QGNDVLYCGAPULN-GXTWGEPZSA-N 1 1 321.490 3.259 10 0 DGAEMO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000248443500 432291522 /nfs/dbraw/zinc/29/15/22/432291522.db2.gz VVXPBPZVXLUPEY-JKSUJKDBSA-N 1 1 321.465 3.060 10 0 DGAEMO CC(C)[C@](C)(O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248550310 432300396 /nfs/dbraw/zinc/30/03/96/432300396.db2.gz HURAIXVKODNHSR-RCCFBDPRSA-N 1 1 309.425 3.121 10 0 DGAEMO CC(C)Cc1ncc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000128555579 431996576 /nfs/dbraw/zinc/99/65/76/431996576.db2.gz BARPRYUERRJSDP-CYBMUJFWSA-N 1 1 304.463 3.065 10 0 DGAEMO Cc1cnc(CC[N@@H+](C)Cc2nccn2-c2ccccc2)s1 ZINC000191420928 432263150 /nfs/dbraw/zinc/26/31/50/432263150.db2.gz JGDBMWWCBZGXHG-UHFFFAOYSA-N 1 1 312.442 3.312 10 0 DGAEMO Cc1cnc(CC[N@H+](C)Cc2nccn2-c2ccccc2)s1 ZINC000191420928 432263152 /nfs/dbraw/zinc/26/31/52/432263152.db2.gz JGDBMWWCBZGXHG-UHFFFAOYSA-N 1 1 312.442 3.312 10 0 DGAEMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248046510 432263607 /nfs/dbraw/zinc/26/36/07/432263607.db2.gz NDBAFVKKWAVRNE-MOPGFXCFSA-N 1 1 324.424 3.261 10 0 DGAEMO C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248072970 432265506 /nfs/dbraw/zinc/26/55/06/432265506.db2.gz QQJFUNKQZCEOTC-IPELMVKDSA-N 1 1 324.424 3.016 10 0 DGAEMO C[N@H+]1CCC[C@@H]2CN(Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072915 432265919 /nfs/dbraw/zinc/26/59/19/432265919.db2.gz MSEWIANXUGRJAN-CZUORRHYSA-N 1 1 317.458 3.319 10 0 DGAEMO C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1c1ccccc1 ZINC000248072973 432267290 /nfs/dbraw/zinc/26/72/90/432267290.db2.gz QQKIOHTZZKOGAZ-IEBWSBKVSA-N 1 1 319.408 3.343 10 0 DGAEMO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248575728 432303054 /nfs/dbraw/zinc/30/30/54/432303054.db2.gz TUFGGRLUDIUVOB-NWDGAFQWSA-N 1 1 308.788 3.469 10 0 DGAEMO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248575728 432303058 /nfs/dbraw/zinc/30/30/58/432303058.db2.gz TUFGGRLUDIUVOB-NWDGAFQWSA-N 1 1 308.788 3.469 10 0 DGAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc2cccnc21 ZINC000248768053 432317839 /nfs/dbraw/zinc/31/78/39/432317839.db2.gz AARVANFACHITNH-LESCRADOSA-N 1 1 310.397 3.008 10 0 DGAEMO CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000248797481 432318206 /nfs/dbraw/zinc/31/82/06/432318206.db2.gz PIUYYHQGIGOQEX-CHWSQXEVSA-N 1 1 320.399 3.296 10 0 DGAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000248816684 432319235 /nfs/dbraw/zinc/31/92/35/432319235.db2.gz IKKMGDLTYZAPIN-LESCRADOSA-N 1 1 310.397 3.008 10 0 DGAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc2ccccc2n1 ZINC000248816684 432319242 /nfs/dbraw/zinc/31/92/42/432319242.db2.gz IKKMGDLTYZAPIN-LESCRADOSA-N 1 1 310.397 3.008 10 0 DGAEMO CCNc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248819530 432319845 /nfs/dbraw/zinc/31/98/45/432319845.db2.gz BFNIMNXJVKZBTG-GXTWGEPZSA-N 1 1 323.868 3.327 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)NCc2cc3ccccc3o2)CC[N@H+]1C ZINC000174077345 432320174 /nfs/dbraw/zinc/32/01/74/432320174.db2.gz GNWXUIKYLBEPDV-ZFWWWQNUSA-N 1 1 315.417 3.057 10 0 DGAEMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)n1 ZINC000152308331 432321824 /nfs/dbraw/zinc/32/18/24/432321824.db2.gz IUBGZUDQJAHWMD-CVEARBPZSA-N 1 1 316.449 3.177 10 0 DGAEMO Clc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cn1 ZINC000152310156 432322822 /nfs/dbraw/zinc/32/28/22/432322822.db2.gz NBYSKKFEUGCYPZ-ZDUSSCGKSA-N 1 1 317.824 3.041 10 0 DGAEMO Clc1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cn1 ZINC000152310156 432322823 /nfs/dbraw/zinc/32/28/23/432322823.db2.gz NBYSKKFEUGCYPZ-ZDUSSCGKSA-N 1 1 317.824 3.041 10 0 DGAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000174142834 432324640 /nfs/dbraw/zinc/32/46/40/432324640.db2.gz MBJIBMKSUAENAA-CGZBRXJRSA-N 1 1 309.498 3.329 10 0 DGAEMO COc1ccc(-c2cnc(C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)o2)cc1 ZINC000248865910 432325673 /nfs/dbraw/zinc/32/56/73/432325673.db2.gz YJQMIUJTQKPXLR-AGGWBTHJSA-N 1 1 316.401 3.084 10 0 DGAEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)c(CSC)c1 ZINC000174171592 432327217 /nfs/dbraw/zinc/32/72/17/432327217.db2.gz QYBWCVCAFREVSE-GFCCVEGCSA-N 1 1 312.454 3.149 10 0 DGAEMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000174225305 432330698 /nfs/dbraw/zinc/33/06/98/432330698.db2.gz IBKJWZMMIVXLQP-RYUDHWBXSA-N 1 1 310.413 3.178 10 0 DGAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)n1 ZINC000248970842 432331406 /nfs/dbraw/zinc/33/14/06/432331406.db2.gz SCNJVDASAGVIGV-FUHWJXTLSA-N 1 1 317.477 3.065 10 0 DGAEMO CCCc1nc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000174250451 432331623 /nfs/dbraw/zinc/33/16/23/432331623.db2.gz LVJYZWJGMUHLOW-AGUYFDCRSA-N 1 1 321.490 3.149 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000248948941 432331724 /nfs/dbraw/zinc/33/17/24/432331724.db2.gz CUWHMHNTSKKJCA-GNXNZQSNSA-N 1 1 321.808 3.124 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000248948941 432331727 /nfs/dbraw/zinc/33/17/27/432331727.db2.gz CUWHMHNTSKKJCA-GNXNZQSNSA-N 1 1 321.808 3.124 10 0 DGAEMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248973211 432331752 /nfs/dbraw/zinc/33/17/52/432331752.db2.gz PWXJQUAGSKJZCV-KBRIMQKVSA-N 1 1 315.417 3.019 10 0 DGAEMO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000174233069 432331935 /nfs/dbraw/zinc/33/19/35/432331935.db2.gz MKAATHQJRCDABH-QZTJIDSGSA-N 1 1 317.477 3.133 10 0 DGAEMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000248988854 432333328 /nfs/dbraw/zinc/33/33/28/432333328.db2.gz WGQDLXWZGMQDRB-DTZQCDIJSA-N 1 1 305.422 3.132 10 0 DGAEMO C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CCS1 ZINC000152451223 432333581 /nfs/dbraw/zinc/33/35/81/432333581.db2.gz FMUAQWQTXKCHPK-WCQYABFASA-N 1 1 319.392 3.046 10 0 DGAEMO CSCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000174284250 432334969 /nfs/dbraw/zinc/33/49/69/432334969.db2.gz ZGCHUWQFEUXIDJ-SWLSCSKDSA-N 1 1 324.465 3.243 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1csc(Br)c1 ZINC000249054875 432335851 /nfs/dbraw/zinc/33/58/51/432335851.db2.gz OTJMEWUNCNBYIF-DOFRTFSJSA-N 1 1 304.253 3.244 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1csc(Br)c1 ZINC000249054875 432335855 /nfs/dbraw/zinc/33/58/55/432335855.db2.gz OTJMEWUNCNBYIF-DOFRTFSJSA-N 1 1 304.253 3.244 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000249063244 432336886 /nfs/dbraw/zinc/33/68/86/432336886.db2.gz PZNKBEJBFCNMDC-GNXNZQSNSA-N 1 1 321.808 3.124 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000249063244 432336890 /nfs/dbraw/zinc/33/68/90/432336890.db2.gz PZNKBEJBFCNMDC-GNXNZQSNSA-N 1 1 321.808 3.124 10 0 DGAEMO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCCn3nc(C)nc31)CCC2 ZINC000090228016 281516382 /nfs/dbraw/zinc/51/63/82/281516382.db2.gz CQHVUPHPTGCUEM-YPMHNXCESA-N 1 1 317.462 3.108 10 0 DGAEMO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCN1CCC(C)CC1 ZINC000152534147 432340267 /nfs/dbraw/zinc/34/02/67/432340267.db2.gz LPTGALGPDMERMB-IBGZPJMESA-N 1 1 316.489 3.434 10 0 DGAEMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCN1CCC(C)CC1 ZINC000152534147 432340279 /nfs/dbraw/zinc/34/02/79/432340279.db2.gz LPTGALGPDMERMB-IBGZPJMESA-N 1 1 316.489 3.434 10 0 DGAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000167726672 281522314 /nfs/dbraw/zinc/52/23/14/281522314.db2.gz HKRCOPJEJUDSKG-CABCVRRESA-N 1 1 300.381 3.092 10 0 DGAEMO C[C@H](C1CC1)[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000249216517 432343644 /nfs/dbraw/zinc/34/36/44/432343644.db2.gz ALRHIJIOCGDASV-ZYHUDNBSSA-N 1 1 318.244 3.463 10 0 DGAEMO COc1cc(C)c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000249474350 432348686 /nfs/dbraw/zinc/34/86/86/432348686.db2.gz VGABQSZBTNLNBN-STQMWFEESA-N 1 1 323.412 3.089 10 0 DGAEMO Cc1coc2ccc(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc12 ZINC000249466509 432349108 /nfs/dbraw/zinc/34/91/08/432349108.db2.gz SIUQEYYCAWAXEK-UKRRQHHQSA-N 1 1 313.401 3.442 10 0 DGAEMO OC[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1c1ccsc1 ZINC000249532428 432351296 /nfs/dbraw/zinc/35/12/96/432351296.db2.gz BGNJWQGHGIEOEA-FUHWJXTLSA-N 1 1 317.454 3.225 10 0 DGAEMO CCC1=C(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCCO1 ZINC000249580111 432351890 /nfs/dbraw/zinc/35/18/90/432351890.db2.gz NAZVOCNJOLWFOF-AEFFLSMTSA-N 1 1 314.429 3.023 10 0 DGAEMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000249711096 432354537 /nfs/dbraw/zinc/35/45/37/432354537.db2.gz DUHNXLZHZDDDML-KSSFIOAISA-N 1 1 316.445 3.089 10 0 DGAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1sc(C)nc1C(F)(F)F ZINC000183594796 432305966 /nfs/dbraw/zinc/30/59/66/432305966.db2.gz QRDVZUGWTBCKJH-NSHDSACASA-N 1 1 321.412 3.386 10 0 DGAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccon2)cc1 ZINC000183600592 432306262 /nfs/dbraw/zinc/30/62/62/432306262.db2.gz GNJAPTFGBZVUPT-LLVKDONJSA-N 1 1 311.345 3.051 10 0 DGAEMO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccccc2)CC[C@H]1C(F)(F)F ZINC000248706760 432312871 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ZINC000093644136 193280559 /nfs/dbraw/zinc/28/05/59/193280559.db2.gz QPHJIVNKGODWCW-CVEARBPZSA-N 1 1 314.477 3.361 10 0 DGAEMO CC(C)CCn1cccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093612325 193273473 /nfs/dbraw/zinc/27/34/73/193273473.db2.gz WONDVMLZGFRCJC-AWEZNQCLSA-N 1 1 304.356 3.033 10 0 DGAEMO CC(C)CCn1cccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093612325 193273475 /nfs/dbraw/zinc/27/34/75/193273475.db2.gz WONDVMLZGFRCJC-AWEZNQCLSA-N 1 1 304.356 3.033 10 0 DGAEMO CCCn1nc(C)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1C ZINC000093615028 193275650 /nfs/dbraw/zinc/27/56/50/193275650.db2.gz LOHKPUVTTVYKDU-MSOLQXFVSA-N 1 1 318.509 3.357 10 0 DGAEMO CCOc1cc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639037 193278067 /nfs/dbraw/zinc/27/80/67/193278067.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 1 1 320.477 3.256 10 0 DGAEMO CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639037 193278069 /nfs/dbraw/zinc/27/80/69/193278069.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 1 1 320.477 3.256 10 0 DGAEMO CCOc1cc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000093639037 193278070 /nfs/dbraw/zinc/27/80/70/193278070.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 1 1 320.477 3.256 10 0 DGAEMO CCOc1cc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000093639037 193278072 /nfs/dbraw/zinc/27/80/72/193278072.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 1 1 320.477 3.256 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)Cc2c(Cl)nc3ccccn32)[C@H](C)C1 ZINC000093638735 193278761 /nfs/dbraw/zinc/27/87/61/193278761.db2.gz KKBJTYUWANNKRZ-KGLIPLIRSA-N 1 1 320.868 3.150 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639643 193278972 /nfs/dbraw/zinc/27/89/72/193278972.db2.gz NQIVXNAKJRLAHZ-BDJLRTHQSA-N 1 1 300.368 3.266 10 0 DGAEMO COC(=O)c1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)nc1 ZINC000094762589 193395774 /nfs/dbraw/zinc/39/57/74/193395774.db2.gz OXPXTYANIARJSI-LLVKDONJSA-N 1 1 302.399 3.049 10 0 DGAEMO COC(=O)c1ccc(C[N@H+]2CCc3sccc3[C@H]2C)nc1 ZINC000094762589 193395776 /nfs/dbraw/zinc/39/57/76/193395776.db2.gz OXPXTYANIARJSI-LLVKDONJSA-N 1 1 302.399 3.049 10 0 DGAEMO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000246342880 432121843 /nfs/dbraw/zinc/12/18/43/432121843.db2.gz HECKKOUWGZKBKN-JJRVBVJISA-N 1 1 319.449 3.244 10 0 DGAEMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)no1 ZINC000181286657 432122589 /nfs/dbraw/zinc/12/25/89/432122589.db2.gz VBDPHTHSFHPOGE-OAHLLOKOSA-N 1 1 323.400 3.148 10 0 DGAEMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)no1 ZINC000181286657 432122592 /nfs/dbraw/zinc/12/25/92/432122592.db2.gz VBDPHTHSFHPOGE-OAHLLOKOSA-N 1 1 323.400 3.148 10 0 DGAEMO COc1ccc(OC)c([C@@H](C)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000123113439 284232442 /nfs/dbraw/zinc/23/24/42/284232442.db2.gz KRGDJDXXODTUFX-HUUCEWRRSA-N 1 1 308.466 3.331 10 0 DGAEMO COc1ccc(OC)c([C@H](C)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000123112821 284232533 /nfs/dbraw/zinc/23/25/33/284232533.db2.gz KRGDJDXXODTUFX-GJZGRUSLSA-N 1 1 308.466 3.331 10 0 DGAEMO COc1cc(C)cc(NC(=O)C[N@H+](C)Cc2ccccc2)c1C ZINC000488118259 245149624 /nfs/dbraw/zinc/14/96/24/245149624.db2.gz QTACHXLSMUAHHT-UHFFFAOYSA-N 1 1 312.413 3.383 10 0 DGAEMO COc1cc(C)cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000488118259 245149628 /nfs/dbraw/zinc/14/96/28/245149628.db2.gz QTACHXLSMUAHHT-UHFFFAOYSA-N 1 1 312.413 3.383 10 0 DGAEMO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](CO)[C@@H]3C)n2)cc1 ZINC000488791240 245235082 /nfs/dbraw/zinc/23/50/82/245235082.db2.gz YBORUIZNPOODHE-XJKSGUPXSA-N 1 1 315.417 3.063 10 0 DGAEMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000488807114 245236914 /nfs/dbraw/zinc/23/69/14/245236914.db2.gz OKANBDUTCRJMRD-GHMZBOCLSA-N 1 1 304.217 3.075 10 0 DGAEMO COc1cccc([C@@H](C)[N@@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000123924279 284249075 /nfs/dbraw/zinc/24/90/75/284249075.db2.gz BYKZEBKTHQZUPE-MRXNPFEDSA-N 1 1 320.477 3.046 10 0 DGAEMO C[C@@H](C(=O)N[C@@H]1CCCC(F)(F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000488972838 245257083 /nfs/dbraw/zinc/25/70/83/245257083.db2.gz FFLBPXJXZBLEJN-XJKSGUPXSA-N 1 1 322.399 3.127 10 0 DGAEMO C[C@@H](C(=O)N[C@@H]1CCCC(F)(F)C1)[N@H+]1CCc2ccccc2C1 ZINC000488972838 245257090 /nfs/dbraw/zinc/25/70/90/245257090.db2.gz FFLBPXJXZBLEJN-XJKSGUPXSA-N 1 1 322.399 3.127 10 0 DGAEMO Fc1cccnc1O[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000489026670 245264519 /nfs/dbraw/zinc/26/45/19/245264519.db2.gz QFYUEQYGEILHSQ-INIZCTEOSA-N 1 1 300.377 3.307 10 0 DGAEMO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1F ZINC000124050934 284251652 /nfs/dbraw/zinc/25/16/52/284251652.db2.gz HEAKTVTZPHVLMY-ZQIUZPCESA-N 1 1 321.440 3.223 10 0 DGAEMO COC[C@H](C)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000124332218 284257027 /nfs/dbraw/zinc/25/70/27/284257027.db2.gz BBYRNGKQBJJVRY-ZIFCJYIRSA-N 1 1 304.478 3.254 10 0 DGAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000124341549 284257675 /nfs/dbraw/zinc/25/76/75/284257675.db2.gz FGCNQUKTIANUIP-RYRKJORJSA-N 1 1 302.462 3.415 10 0 DGAEMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000181343860 432124594 /nfs/dbraw/zinc/12/45/94/432124594.db2.gz GDGCVENGQBDASU-YOEHRIQHSA-N 1 1 310.445 3.461 10 0 DGAEMO CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246376272 432124602 /nfs/dbraw/zinc/12/46/02/432124602.db2.gz APFWAWXWOPZTAT-WMZOPIPTSA-N 1 1 317.477 3.481 10 0 DGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000246373468 432124762 /nfs/dbraw/zinc/12/47/62/432124762.db2.gz JHMJDNUSTFFGCU-IINYFYTJSA-N 1 1 313.804 3.329 10 0 DGAEMO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000125852713 284285749 /nfs/dbraw/zinc/28/57/49/284285749.db2.gz GOYCWXZIASFHJS-UHFFFAOYSA-N 1 1 318.339 3.045 10 0 DGAEMO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000125852713 284285750 /nfs/dbraw/zinc/28/57/50/284285750.db2.gz GOYCWXZIASFHJS-UHFFFAOYSA-N 1 1 318.339 3.045 10 0 DGAEMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccncc2)cc1F ZINC000126549291 284308944 /nfs/dbraw/zinc/30/89/44/284308944.db2.gz HAESUSMPSXZNGT-JWTNVVGKSA-N 1 1 312.388 3.375 10 0 DGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000246373480 432125735 /nfs/dbraw/zinc/12/57/35/432125735.db2.gz JHMJDNUSTFFGCU-QMTHXVAHSA-N 1 1 313.804 3.329 10 0 DGAEMO COc1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)cc1NC(C)=O ZINC000127294155 284333874 /nfs/dbraw/zinc/33/38/74/284333874.db2.gz BZLMGRHTSUWKDU-ZDUSSCGKSA-N 1 1 313.401 3.208 10 0 DGAEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000127303201 284334137 /nfs/dbraw/zinc/33/41/37/284334137.db2.gz MVYAPSLCZHFKPQ-AOOOYVTPSA-N 1 1 318.314 3.009 10 0 DGAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000127303201 284334138 /nfs/dbraw/zinc/33/41/38/284334138.db2.gz MVYAPSLCZHFKPQ-AOOOYVTPSA-N 1 1 318.314 3.009 10 0 DGAEMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000135581642 432128633 /nfs/dbraw/zinc/12/86/33/432128633.db2.gz GRIIELRRKRDHFR-RDJZCZTQSA-N 1 1 319.836 3.116 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000246426748 432129319 /nfs/dbraw/zinc/12/93/19/432129319.db2.gz MFOYNCCZJBILBD-SIRPWMCASA-N 1 1 309.498 3.183 10 0 DGAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCOc1ccccc1Cl)CC2 ZINC000128396215 284373876 /nfs/dbraw/zinc/37/38/76/284373876.db2.gz UOVOXYOKVJRFHB-RHSMWYFYSA-N 1 1 309.837 3.346 10 0 DGAEMO Cc1ccc(CCC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000181441280 432129243 /nfs/dbraw/zinc/12/92/43/432129243.db2.gz BSNBWQPZJHNJEZ-HZPDHXFCSA-N 1 1 318.461 3.290 10 0 DGAEMO CCC1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000128524954 284378294 /nfs/dbraw/zinc/37/82/94/284378294.db2.gz BAVGZOAERHVGQV-OTBWCIGPSA-N 1 1 309.498 3.327 10 0 DGAEMO CCCC[N@H+](C)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000019273738 182112181 /nfs/dbraw/zinc/11/21/81/182112181.db2.gz ZVTGVGYQEFRFLA-ZDUSSCGKSA-N 1 1 303.219 3.320 10 0 DGAEMO CCCC[N@@H+](C)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000019273738 182112182 /nfs/dbraw/zinc/11/21/82/182112182.db2.gz ZVTGVGYQEFRFLA-ZDUSSCGKSA-N 1 1 303.219 3.320 10 0 DGAEMO 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432189275 /nfs/dbraw/zinc/18/92/75/432189275.db2.gz KGFCLUWUECAXQC-LSDHHAIUSA-N 1 1 306.450 3.229 10 0 DGAEMO CC[C@@H]1CCCCC[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000150745247 432189341 /nfs/dbraw/zinc/18/93/41/432189341.db2.gz URMIWDKVMOCTJH-MRXNPFEDSA-N 1 1 324.490 3.092 10 0 DGAEMO C[C@@H](C[N@H+]1CCC[C@H]1C(=O)Nc1nccs1)c1ccccc1 ZINC000246997848 432189905 /nfs/dbraw/zinc/18/99/05/432189905.db2.gz GNALJELJPAXENC-ZFWWWQNUSA-N 1 1 315.442 3.350 10 0 DGAEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000247010509 432190670 /nfs/dbraw/zinc/19/06/70/432190670.db2.gz LEBOFBSFZOJILZ-HLLBOEOZSA-N 1 1 318.461 3.227 10 0 DGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000247010509 432190675 /nfs/dbraw/zinc/19/06/75/432190675.db2.gz LEBOFBSFZOJILZ-HLLBOEOZSA-N 1 1 318.461 3.227 10 0 DGAEMO C[C@H](C[N@H+]1CCC[C@H]1C(=O)Nc1nccs1)c1ccccc1 ZINC000246997824 432190860 /nfs/dbraw/zinc/19/08/60/432190860.db2.gz GNALJELJPAXENC-HIFRSBDPSA-N 1 1 315.442 3.350 10 0 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432213583 /nfs/dbraw/zinc/21/35/83/432213583.db2.gz MUVBQQRJZGGDIA-QAPCUYQASA-N 1 1 308.425 3.077 10 0 DGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1Cl ZINC000247240647 432215703 /nfs/dbraw/zinc/21/57/03/432215703.db2.gz DLZOEESPIMZMKE-STQMWFEESA-N 1 1 307.825 3.431 10 0 DGAEMO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247106856 432204084 /nfs/dbraw/zinc/20/40/84/432204084.db2.gz KWFJPUPTAHKGEG-TWMKSMIVSA-N 1 1 324.509 3.255 10 0 DGAEMO CCC[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1ccccc1 ZINC000172238966 432204923 /nfs/dbraw/zinc/20/49/23/432204923.db2.gz GLABCSKGUQHGSI-SZMVWBNQSA-N 1 1 315.461 3.406 10 0 DGAEMO CCOCCN1CC[N@@H+](C[C@H](C)c2ccccc2)C[C@@H]1CC ZINC000247140810 432205082 /nfs/dbraw/zinc/20/50/82/432205082.db2.gz PHCJFLUINSMJJG-HKUYNNGSSA-N 1 1 304.478 3.223 10 0 DGAEMO CCOCC[N@@H+]1CCN(C[C@H](C)c2ccccc2)C[C@@H]1CC ZINC000247140810 432205087 /nfs/dbraw/zinc/20/50/87/432205087.db2.gz PHCJFLUINSMJJG-HKUYNNGSSA-N 1 1 304.478 3.223 10 0 DGAEMO CCOCC[N@H+]1CCN(C[C@H](C)c2ccccc2)C[C@@H]1CC ZINC000247140810 432205089 /nfs/dbraw/zinc/20/50/89/432205089.db2.gz PHCJFLUINSMJJG-HKUYNNGSSA-N 1 1 304.478 3.223 10 0 DGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1SC ZINC000247127968 432205106 /nfs/dbraw/zinc/20/51/06/432205106.db2.gz SCTBDCKMMAMGDM-KBPBESRZSA-N 1 1 319.474 3.499 10 0 DGAEMO CCOc1ccc(OCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172271299 432205978 /nfs/dbraw/zinc/20/59/78/432205978.db2.gz DDOZCAAZYRFEGT-SFHVURJKSA-N 1 1 315.417 3.414 10 0 DGAEMO CSc1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247399066 432227714 /nfs/dbraw/zinc/22/77/14/432227714.db2.gz PGRZYTSSBCOHHA-NEPJUHHUSA-N 1 1 324.877 3.371 10 0 DGAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000247254036 432217264 /nfs/dbraw/zinc/21/72/64/432217264.db2.gz UTXSAOYVQSKXFV-ZBFHGGJFSA-N 1 1 316.445 3.173 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2C)[C@@H](C)C1 ZINC000247314176 432221699 /nfs/dbraw/zinc/22/16/99/432221699.db2.gz HQJUBTPUOYBZTL-HOTGVXAUSA-N 1 1 320.502 3.276 10 0 DGAEMO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(Cl)cc1F ZINC000151142551 432224005 /nfs/dbraw/zinc/22/40/05/432224005.db2.gz GWDZCISWMARMLS-GHMZBOCLSA-N 1 1 310.800 3.143 10 0 DGAEMO COc1cccc([C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCO2)c1 ZINC000131656889 196187880 /nfs/dbraw/zinc/18/78/80/196187880.db2.gz VBMKUTSTCDQQNJ-IBGZPJMESA-N 1 1 323.396 3.145 10 0 DGAEMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCO2)c1 ZINC000131656889 196187882 /nfs/dbraw/zinc/18/78/82/196187882.db2.gz VBMKUTSTCDQQNJ-IBGZPJMESA-N 1 1 323.396 3.145 10 0 DGAEMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131810119 196201272 /nfs/dbraw/zinc/20/12/72/196201272.db2.gz DEQXVYSXMWDCGE-GOSISDBHSA-N 1 1 321.428 3.456 10 0 DGAEMO COc1c(C[N@H+](Cc2ccco2)C2CCCC2)c(C)nn1C ZINC000132190301 196234072 /nfs/dbraw/zinc/23/40/72/196234072.db2.gz HHUOPHHTEOTDJK-UHFFFAOYSA-N 1 1 303.406 3.275 10 0 DGAEMO COc1c(C[N@@H+](Cc2ccco2)C2CCCC2)c(C)nn1C ZINC000132190301 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Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(N(C)C)no2)c1C ZINC000185266489 228390569 /nfs/dbraw/zinc/39/05/69/228390569.db2.gz QZMTWRVBJVEWFN-HNNXBMFYSA-N 1 1 300.406 3.090 10 0 DGAEMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(N(C)C)no2)c1C ZINC000185266489 228390570 /nfs/dbraw/zinc/39/05/70/228390570.db2.gz QZMTWRVBJVEWFN-HNNXBMFYSA-N 1 1 300.406 3.090 10 0 DGAEMO Cc1nc(C)c(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000299746575 229390187 /nfs/dbraw/zinc/39/01/87/229390187.db2.gz YEVZXWQKAGMZEC-AWEZNQCLSA-N 1 1 316.474 3.282 10 0 DGAEMO Cc1[nH+]ccn1-c1cncc(N(C)CC2(c3ccccc3)CC2)n1 ZINC000302573913 230303770 /nfs/dbraw/zinc/30/37/70/230303770.db2.gz ZSHIXNYVUNLRJE-UHFFFAOYSA-N 1 1 319.412 3.139 10 0 DGAEMO C[C@@H]1C[N@@H+](CCCNc2ncc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000302662458 230338443 /nfs/dbraw/zinc/33/84/43/230338443.db2.gz BHTLUWJJCRFBRU-AOOOYVTPSA-N 1 1 323.384 3.073 10 0 DGAEMO C[C@@H]1C[N@H+](CCCNc2ncc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000302662458 230338446 /nfs/dbraw/zinc/33/84/46/230338446.db2.gz 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432229343 /nfs/dbraw/zinc/22/93/43/432229343.db2.gz OBVDAKNDPZGHCL-QWRGUYRKSA-N 1 1 300.855 3.204 10 0 DGAEMO COc1ncccc1C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191162698 432229653 /nfs/dbraw/zinc/22/96/53/432229653.db2.gz OZZBFKISRXTPPE-LBPRGKRZSA-N 1 1 302.422 3.201 10 0 DGAEMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1coc(-c2c(F)cccc2F)n1 ZINC000191169447 432231001 /nfs/dbraw/zinc/23/10/01/432231001.db2.gz ANAZNUYOJCLOKW-QWRGUYRKSA-N 1 1 322.355 3.354 10 0 DGAEMO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247467862 432231332 /nfs/dbraw/zinc/23/13/32/432231332.db2.gz RQNXURHNARVOEW-IPYPFGDCSA-N 1 1 324.852 3.048 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccccc2C)[C@@H](C)C1 ZINC000247450761 432231345 /nfs/dbraw/zinc/23/13/45/432231345.db2.gz QEXDZJLZACEOLC-FUHWJXTLSA-N 1 1 302.462 3.116 10 0 DGAEMO CC[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000247460321 432231962 /nfs/dbraw/zinc/23/19/62/432231962.db2.gz QTQROPNGYZOBMY-NUJGCVRESA-N 1 1 315.461 3.058 10 0 DGAEMO c1ccc(CN2CC[C@H]([N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000355901963 266224366 /nfs/dbraw/zinc/22/43/66/266224366.db2.gz AOYQEBRZBXCPAN-ZCNNSNEGSA-N 1 1 314.473 3.009 10 0 DGAEMO CC[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000247460316 432232366 /nfs/dbraw/zinc/23/23/66/432232366.db2.gz QTQROPNGYZOBMY-JFIYKMOQSA-N 1 1 315.461 3.058 10 0 DGAEMO Cc1ccc(N2CCC(NC(=O)[C@@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000182829374 432232830 /nfs/dbraw/zinc/23/28/30/432232830.db2.gz IZNYDTVVSMRSEI-INIZCTEOSA-N 1 1 323.440 3.279 10 0 DGAEMO C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1 ZINC000247473239 432233546 /nfs/dbraw/zinc/23/35/46/432233546.db2.gz SBXOMPYJSCPTBM-IPYPFGDCSA-N 1 1 320.502 3.428 10 0 DGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000247498104 432236238 /nfs/dbraw/zinc/23/62/38/432236238.db2.gz XJPYWZXWDYAODK-WCQYABFASA-N 1 1 314.882 3.179 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CSc3ccccc32)[C@H](C)C1 ZINC000247490396 432236246 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303.450 3.160 10 0 DGAEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000191263049 432240784 /nfs/dbraw/zinc/24/07/84/432240784.db2.gz QLBNLHJYRRCINP-ZIAGYGMSSA-N 1 1 318.461 3.156 10 0 DGAEMO CCc1ccc(-c2noc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)n2)cc1 ZINC000191265096 432242045 /nfs/dbraw/zinc/24/20/45/432242045.db2.gz GOAFBPBKBUMOJX-STQMWFEESA-N 1 1 315.417 3.033 10 0 DGAEMO O=C(C[C@H]1CCC[N@H+]1CCCn1ccnc1)c1ccc(F)cc1 ZINC000182968787 432247719 /nfs/dbraw/zinc/24/77/19/432247719.db2.gz FSRMRIFMGGDREI-QGZVFWFLSA-N 1 1 315.392 3.150 10 0 DGAEMO CCOC(=O)c1c[nH+]ccc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000359868587 271004966 /nfs/dbraw/zinc/00/49/66/271004966.db2.gz DRKNVIPQNPFILG-KOLCDFICSA-N 1 1 302.296 3.035 10 0 DGAEMO C[C@H]1CCOCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000367654085 271058132 /nfs/dbraw/zinc/05/81/32/271058132.db2.gz BBPJAIIVHRQZCS-LBPRGKRZSA-N 1 1 303.324 3.239 10 0 DGAEMO C[C@H]1CCOCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000367667959 271062521 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C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187933937 661908289 /nfs/dbraw/zinc/90/82/89/661908289.db2.gz ZVICADVTMMDJMV-NHYWBVRUSA-N 1 1 312.797 3.231 10 0 DGAEMO COC(C)(C)CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000189242689 661970146 /nfs/dbraw/zinc/97/01/46/661970146.db2.gz ZUMKFMVRWXXKHX-INIZCTEOSA-N 1 1 305.418 3.009 10 0 DGAEMO COC(C)(C)CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000189242689 661970147 /nfs/dbraw/zinc/97/01/47/661970147.db2.gz ZUMKFMVRWXXKHX-INIZCTEOSA-N 1 1 305.418 3.009 10 0 DGAEMO CC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@H](O)C(F)(F)F ZINC000189870839 661994695 /nfs/dbraw/zinc/99/46/95/661994695.db2.gz SIRHHIRZRFPOAM-NSHDSACASA-N 1 1 311.731 3.099 10 0 DGAEMO CC(C)(O)C[N@@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000189894456 661995431 /nfs/dbraw/zinc/99/54/31/661995431.db2.gz FOEKAFUOPCPGCT-OAHLLOKOSA-N 1 1 322.836 3.068 10 0 DGAEMO O[C@H](C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1F ZINC000193518676 662136985 /nfs/dbraw/zinc/13/69/85/662136985.db2.gz 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662232070 /nfs/dbraw/zinc/23/20/70/662232070.db2.gz ZVVDLCKVZDXQCT-RDTXWAMCSA-N 1 1 312.413 3.278 10 0 DGAEMO O[C@]12CCCC[C@H]1C[N@H+](Cn1nc(Cl)c3ccccc31)CC2 ZINC000246200478 662250754 /nfs/dbraw/zinc/25/07/54/662250754.db2.gz LVFCMNYAQCMOLF-GUYCJALGSA-N 1 1 319.836 3.274 10 0 DGAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cn1nc(Cl)c3ccccc31)CC2 ZINC000246200478 662250757 /nfs/dbraw/zinc/25/07/57/662250757.db2.gz LVFCMNYAQCMOLF-GUYCJALGSA-N 1 1 319.836 3.274 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCCCCCC2)[C@@H](C)C1 ZINC000246490260 662261650 /nfs/dbraw/zinc/26/16/50/662261650.db2.gz RSEHUWKEEXAQBQ-RDJZCZTQSA-N 1 1 309.498 3.471 10 0 DGAEMO CSCC1CC[NH+](Cc2ncccc2Br)CC1 ZINC000719279350 662272620 /nfs/dbraw/zinc/27/26/20/662272620.db2.gz JQHGYOFQCLUFEH-UHFFFAOYSA-N 1 1 315.280 3.419 10 0 DGAEMO C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ncc(Cl)s1 ZINC000719387185 662279166 /nfs/dbraw/zinc/27/91/66/662279166.db2.gz XUHYLNRTYOLJMY-SNVBAGLBSA-N 1 1 309.822 3.303 10 0 DGAEMO C[C@H]([NH3+])c1nc(C(=O)N[C@H]2CCSc3ccccc32)cs1 ZINC000090947780 662286250 /nfs/dbraw/zinc/28/62/50/662286250.db2.gz DKAAGMWHKASCHQ-ONGXEEELSA-N 1 1 319.455 3.130 10 0 DGAEMO COc1c(C)ccc(NC(=O)c2csc([C@@H](C)[NH3+])n2)c1C ZINC000090947747 662286438 /nfs/dbraw/zinc/28/64/38/662286438.db2.gz PPIUDBRZESNVBZ-SNVBAGLBSA-N 1 1 305.403 3.041 10 0 DGAEMO COc1c(C)ccc(NC(=O)c2csc([C@H](C)[NH3+])n2)c1C ZINC000090947750 662286456 /nfs/dbraw/zinc/28/64/56/662286456.db2.gz PPIUDBRZESNVBZ-JTQLQIEISA-N 1 1 305.403 3.041 10 0 DGAEMO Cc1csc([C@H]2CCC[N@@H+](CN3C[C@@H](C(C)C)CC3=O)C2)n1 ZINC000247005410 662296520 /nfs/dbraw/zinc/29/65/20/662296520.db2.gz FRCUFRDZFNMWFL-GJZGRUSLSA-N 1 1 321.490 3.093 10 0 DGAEMO Cc1csc([C@H]2CCC[N@H+](CN3C[C@@H](C(C)C)CC3=O)C2)n1 ZINC000247005410 662296521 /nfs/dbraw/zinc/29/65/21/662296521.db2.gz FRCUFRDZFNMWFL-GJZGRUSLSA-N 1 1 321.490 3.093 10 0 DGAEMO O=C(CC[C@H]1CCOC1)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248383884 662343661 /nfs/dbraw/zinc/34/36/61/662343661.db2.gz BTWWEUYKADRHOQ-ZWKOTPCHSA-N 1 1 317.429 3.011 10 0 DGAEMO C[C@@H]1C[C@@H](OC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000248481347 662349324 /nfs/dbraw/zinc/34/93/24/662349324.db2.gz BDPZYCLSMRYBKG-MVJTYMMSSA-N 1 1 317.429 3.150 10 0 DGAEMO C[C@@H]1C[C@@H](OC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000248481347 662349326 /nfs/dbraw/zinc/34/93/26/662349326.db2.gz BDPZYCLSMRYBKG-MVJTYMMSSA-N 1 1 317.429 3.150 10 0 DGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255116999 685120852 /nfs/dbraw/zinc/12/08/52/685120852.db2.gz QBJDHNRNAQUNRN-UPZNUWHASA-N 1 1 312.866 3.357 10 0 DGAEMO c1csc(CNC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379638699 685149345 /nfs/dbraw/zinc/14/93/45/685149345.db2.gz AJEGHLKKOFKRFI-INIZCTEOSA-N 1 1 301.459 3.287 10 0 DGAEMO c1csc(CNC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000379638699 685149346 /nfs/dbraw/zinc/14/93/46/685149346.db2.gz AJEGHLKKOFKRFI-INIZCTEOSA-N 1 1 301.459 3.287 10 0 DGAEMO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)C(F)F ZINC000389948117 685198421 /nfs/dbraw/zinc/19/84/21/685198421.db2.gz VONVFKHZBSSPCY-UTUOFQBUSA-N 1 1 306.397 3.408 10 0 DGAEMO C[N@H+](CCC[NH2+]Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000390804141 685206381 /nfs/dbraw/zinc/20/63/81/685206381.db2.gz WEKUXWCGCIGTKO-UHFFFAOYSA-N 1 1 318.442 3.058 10 0 DGAEMO C[N@@H+](CCC[NH2+]Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000390804141 685206385 /nfs/dbraw/zinc/20/63/85/685206385.db2.gz WEKUXWCGCIGTKO-UHFFFAOYSA-N 1 1 318.442 3.058 10 0 DGAEMO Cc1nc([C@@H](C)N[C@H]2CCc3c2cccc3Br)n[nH]1 ZINC000392362718 685214896 /nfs/dbraw/zinc/21/48/96/685214896.db2.gz ZCRSMYCYHHYPSS-OQPBUACISA-N 1 1 321.222 3.214 10 0 DGAEMO Cc1nnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Br)[nH]1 ZINC000392362718 685214901 /nfs/dbraw/zinc/21/49/01/685214901.db2.gz ZCRSMYCYHHYPSS-OQPBUACISA-N 1 1 321.222 3.214 10 0 DGAEMO Cc1nc([C@H](C)N[C@H]2CCc3c2cccc3Br)n[nH]1 ZINC000392362720 685215271 /nfs/dbraw/zinc/21/52/71/685215271.db2.gz ZCRSMYCYHHYPSS-SDBXPKJASA-N 1 1 321.222 3.214 10 0 DGAEMO Cc1nnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3Br)[nH]1 ZINC000392362720 685215275 /nfs/dbraw/zinc/21/52/75/685215275.db2.gz ZCRSMYCYHHYPSS-SDBXPKJASA-N 1 1 321.222 3.214 10 0 DGAEMO CC(C)OCCC[N@H+](C)Cc1ncccc1Br ZINC000394954955 685223944 /nfs/dbraw/zinc/22/39/44/685223944.db2.gz MLAFMRYOWLGJMX-UHFFFAOYSA-N 1 1 301.228 3.091 10 0 DGAEMO CC(C)OCCC[N@@H+](C)Cc1ncccc1Br ZINC000394954955 685223950 /nfs/dbraw/zinc/22/39/50/685223950.db2.gz MLAFMRYOWLGJMX-UHFFFAOYSA-N 1 1 301.228 3.091 10 0 DGAEMO C[C@]1(CO)CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000125919325 1176027823 /nfs/dbraw/zinc/02/78/23/1176027823.db2.gz WFTCZZYBSXLKRY-LBPRGKRZSA-N 1 1 304.253 3.105 10 0 DGAEMO C[C@]1(CO)CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000125919325 1176027832 /nfs/dbraw/zinc/02/78/32/1176027832.db2.gz WFTCZZYBSXLKRY-LBPRGKRZSA-N 1 1 304.253 3.105 10 0 DGAEMO Clc1c(Br)cccc1C[NH2+]CCN1CCCC1 ZINC000228827784 1176168353 /nfs/dbraw/zinc/16/83/53/1176168353.db2.gz CPWQLLQGFDVQLJ-UHFFFAOYSA-N 1 1 317.658 3.288 10 0 DGAEMO C[C@H]1CCC[N@@H+]1CCNCc1sccc1Br ZINC000390491423 1176284609 /nfs/dbraw/zinc/28/46/09/1176284609.db2.gz QPVLIUNSBXJMHF-JTQLQIEISA-N 1 1 303.269 3.085 10 0 DGAEMO C[C@H]1CCC[N@H+]1CCNCc1sccc1Br ZINC000390491423 1176284611 /nfs/dbraw/zinc/28/46/11/1176284611.db2.gz QPVLIUNSBXJMHF-JTQLQIEISA-N 1 1 303.269 3.085 10 0 DGAEMO C[N@H+]1CCCC[C@@H]1CNCc1cc(F)ccc1Br ZINC000044562626 1194287049 /nfs/dbraw/zinc/28/70/49/1194287049.db2.gz PGZVDJLXUDPWQM-CYBMUJFWSA-N 1 1 315.230 3.162 10 0 DGAEMO CN1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000044562626 1194287054 /nfs/dbraw/zinc/28/70/54/1194287054.db2.gz PGZVDJLXUDPWQM-CYBMUJFWSA-N 1 1 315.230 3.162 10 0 DGAEMO C=CCOc1ccc(C[NH2+]C2CCN(CC)CC2)cc1Cl ZINC000066970420 1195579402 /nfs/dbraw/zinc/57/94/02/1195579402.db2.gz NYLSRKYCGTYBHE-UHFFFAOYSA-N 1 1 308.853 3.479 10 0 DGAEMO c1ccc(OCC2CC2)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000067968444 1195685516 /nfs/dbraw/zinc/68/55/16/1195685516.db2.gz GNGNVMAVCDUKHO-INIZCTEOSA-N 1 1 300.446 3.049 10 0 DGAEMO CC(C)n1cc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000080206453 1197045141 /nfs/dbraw/zinc/04/51/41/1197045141.db2.gz RNZKDMIVWWYOSY-KRWDZBQOSA-N 1 1 314.477 3.464 10 0 DGAEMO Cc1cc(C#N)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000390728940 1197713779 /nfs/dbraw/zinc/71/37/79/1197713779.db2.gz ULZQRMFPBMMMLW-QAPCUYQASA-N 1 1 306.413 3.337 10 0 DGAEMO CC(C)=CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404418945 1199554528 /nfs/dbraw/zinc/55/45/28/1199554528.db2.gz HNSYAKAOORIJNZ-YESZJQIVSA-N 1 1 300.446 3.463 10 0 DGAEMO CC(C)=CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404418943 1199554962 /nfs/dbraw/zinc/55/49/62/1199554962.db2.gz HNSYAKAOORIJNZ-ULQDDVLXSA-N 1 1 300.446 3.463 10 0 DGAEMO CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404493612 1199563996 /nfs/dbraw/zinc/56/39/96/1199563996.db2.gz DBTJFURFJKWDMY-GVDBMIGSSA-N 1 1 317.477 3.479 10 0 DGAEMO Cc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)cc1Br ZINC000313749590 1199774001 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DGAEMO c1ccc(C[N@@H+]2CC[C@H]3CN(CC[C@H]4CCCCO4)C[C@H]32)cc1 ZINC000425501909 433272111 /nfs/dbraw/zinc/27/21/11/433272111.db2.gz PDZLSUPEYDCHMO-XUVXKRRUSA-N 1 1 314.473 3.152 10 0 DGAEMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CCCF)C1)C1CCCC1 ZINC000374816787 433282444 /nfs/dbraw/zinc/28/24/44/433282444.db2.gz GFGOIDBZKQZLHK-AWEZNQCLSA-N 1 1 322.428 3.077 10 0 DGAEMO CC(=O)c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000281901895 433422121 /nfs/dbraw/zinc/42/21/21/433422121.db2.gz MTHPAKHWKNUQFF-INIZCTEOSA-N 1 1 324.428 3.201 10 0 DGAEMO c1c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)nc2ccccn12 ZINC000375392739 433449210 /nfs/dbraw/zinc/44/92/10/433449210.db2.gz OTBNGDIKLCZGHG-HXUWFJFHSA-N 1 1 319.408 3.356 10 0 DGAEMO c1c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)nc2ccccn12 ZINC000375392739 433449218 /nfs/dbraw/zinc/44/92/18/433449218.db2.gz OTBNGDIKLCZGHG-HXUWFJFHSA-N 1 1 319.408 3.356 10 0 DGAEMO Fc1cc(F)c(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000375412701 433457461 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C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000362024189 433495781 /nfs/dbraw/zinc/49/57/81/433495781.db2.gz IAXQETDEMCNDLN-KBAYOESNSA-N 1 1 304.503 3.382 10 0 DGAEMO C([C@H]1CCOC1)N1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421364506 433509392 /nfs/dbraw/zinc/50/93/92/433509392.db2.gz OTNBBIGEQKSFQS-MRXNPFEDSA-N 1 1 306.494 3.190 10 0 DGAEMO Cc1[nH+]ccn1CCNC(=O)C1=C(c2ccccc2)CCCC1 ZINC000448839127 433576581 /nfs/dbraw/zinc/57/65/81/433576581.db2.gz ZZLZDWOUFKVEIZ-UHFFFAOYSA-N 1 1 309.413 3.336 10 0 DGAEMO Cc1ccc([C@H](C)Nc2ncnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000162940003 292861173 /nfs/dbraw/zinc/86/11/73/292861173.db2.gz BKTJMODPAMZAKI-LBPRGKRZSA-N 1 1 320.356 3.285 10 0 DGAEMO COc1cc(C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000449031710 433689210 /nfs/dbraw/zinc/68/92/10/433689210.db2.gz VWEIQFLDPRCISG-UKRRQHHQSA-N 1 1 317.351 3.281 10 0 DGAEMO c1cn2c(C[N@H+]3CC[C@@]4(C3)CCCOC4)c(C3CC3)nc2s1 ZINC000367436489 293071512 /nfs/dbraw/zinc/07/15/12/293071512.db2.gz 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CC[C@@]1(C)CCC[N@H+](Cc2nc3oc(C)c(C)c3c(N)n2)C1 ZINC000154068823 529523780 /nfs/dbraw/zinc/52/37/80/529523780.db2.gz QPQGDLFPBWMRKG-KRWDZBQOSA-N 1 1 302.422 3.434 10 0 DGAEMO CC[C@@]1(C)CCC[N@@H+](Cc2nc3oc(C)c(C)c3c(N)n2)C1 ZINC000154068823 529523784 /nfs/dbraw/zinc/52/37/84/529523784.db2.gz QPQGDLFPBWMRKG-KRWDZBQOSA-N 1 1 302.422 3.434 10 0 DGAEMO COc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1F ZINC000090200417 185286842 /nfs/dbraw/zinc/28/68/42/185286842.db2.gz DQTJULPVAQQGAQ-CQSZACIVSA-N 1 1 322.424 3.076 10 0 DGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000090225483 185287604 /nfs/dbraw/zinc/28/76/04/185287604.db2.gz VAPHMEKALXRZOW-YGRLFVJLSA-N 1 1 322.359 3.374 10 0 DGAEMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000092510448 185323331 /nfs/dbraw/zinc/32/33/31/185323331.db2.gz IHDNUUNQFFTHCO-UABRLCRWSA-N 1 1 304.409 3.172 10 0 DGAEMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1OC ZINC000092510330 185323343 /nfs/dbraw/zinc/32/33/43/185323343.db2.gz 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CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000173465035 198217421 /nfs/dbraw/zinc/21/74/21/198217421.db2.gz QSYRJBJVZCUOKJ-GJZGRUSLSA-N 1 1 307.438 3.022 10 0 DGAEMO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)CCO2)n1 ZINC000173696498 198241692 /nfs/dbraw/zinc/24/16/92/198241692.db2.gz XFPDIYXTZURHNK-HKUYNNGSSA-N 1 1 313.445 3.270 10 0 DGAEMO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)CCO2)n1 ZINC000173696498 198241693 /nfs/dbraw/zinc/24/16/93/198241693.db2.gz XFPDIYXTZURHNK-HKUYNNGSSA-N 1 1 313.445 3.270 10 0 DGAEMO Cc1ccc(F)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174400042 198331165 /nfs/dbraw/zinc/33/11/65/198331165.db2.gz AHLFZFRQTUEKEZ-GOOCMWNKSA-N 1 1 305.397 3.271 10 0 DGAEMO CCCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174580177 198354725 /nfs/dbraw/zinc/35/47/25/198354725.db2.gz RWERSHJOPLIPAZ-CABCVRRESA-N 1 1 319.449 3.422 10 0 DGAEMO CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174677272 198369862 /nfs/dbraw/zinc/36/98/62/198369862.db2.gz KPTCILBLECJYEV-KBAYOESNSA-N 1 1 317.477 3.132 10 0 DGAEMO Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000182146368 199393854 /nfs/dbraw/zinc/39/38/54/199393854.db2.gz WBGISZLSPMVIJN-JZXOWHBKSA-N 1 1 302.462 3.115 10 0 DGAEMO C[NH+](C)[C@H](CNC(=O)C/C=C/c1ccc(F)cc1)c1ccco1 ZINC000174893220 198398486 /nfs/dbraw/zinc/39/84/86/198398486.db2.gz CEINSHDCDKAUNA-LLCTXKFZSA-N 1 1 316.376 3.241 10 0 DGAEMO CCc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000131292855 432034991 /nfs/dbraw/zinc/03/49/91/432034991.db2.gz PVSJLDUPHVRKJF-UHFFFAOYSA-N 1 1 318.392 3.151 10 0 DGAEMO O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000182170027 199397222 /nfs/dbraw/zinc/39/72/22/199397222.db2.gz JIVRYICZRCMIOB-GJZGRUSLSA-N 1 1 301.352 3.254 10 0 DGAEMO CC(C)[N@@H+](CCc1nccs1)Cc1cn2ccsc2n1 ZINC000179051822 432036088 /nfs/dbraw/zinc/03/60/88/432036088.db2.gz VQUUDYQJUADISR-UHFFFAOYSA-N 1 1 306.460 3.305 10 0 DGAEMO 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Brc1cncc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000625775170 401212085 /nfs/dbraw/zinc/21/20/85/401212085.db2.gz NAVWPXZGSISMMC-OLZOCXBDSA-N 1 1 313.264 3.314 10 0 DGAEMO c1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)co1 ZINC000065286843 401263455 /nfs/dbraw/zinc/26/34/55/401263455.db2.gz VQMNKNAMIPNNNM-MRXNPFEDSA-N 1 1 308.385 3.444 10 0 DGAEMO c1nn(-c2cc[nH+]cc2)c2ncnc(NC[C@@H]3CCCC34CC4)c12 ZINC000630384667 401255434 /nfs/dbraw/zinc/25/54/34/401255434.db2.gz CSMBJMIWGXWPLN-ZDUSSCGKSA-N 1 1 320.400 3.203 10 0 DGAEMO c1[nH]c(-c2ccccc2)nc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000631244265 401435590 /nfs/dbraw/zinc/43/55/90/401435590.db2.gz PRSWDVKLXMSBLO-UHFFFAOYSA-N 1 1 319.408 3.439 10 0 DGAEMO c1cn2c(n1)[C@@H](N[C@@H]1CCCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000631679016 401532576 /nfs/dbraw/zinc/53/25/76/401532576.db2.gz HQPKAOZUFRAOKU-MOPGFXCFSA-N 1 1 324.472 3.362 10 0 DGAEMO c1cn2c(n1)[C@@H]([NH2+][C@@H]1CCCCCN(Cc3ccccc3)C1)CC2 ZINC000631679016 401532579 /nfs/dbraw/zinc/53/25/79/401532579.db2.gz HQPKAOZUFRAOKU-MOPGFXCFSA-N 1 1 324.472 3.362 10 0 DGAEMO c1nc2c(s1)CCC[C@H]2[NH2+]Cc1cccc2c1CCOC2 ZINC000631732485 401546438 /nfs/dbraw/zinc/54/64/38/401546438.db2.gz JIJNMHDVISFODD-OAHLLOKOSA-N 1 1 300.427 3.383 10 0 DGAEMO c1[nH]c(-c2ccccc2)nc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602540 401554199 /nfs/dbraw/zinc/55/41/99/401554199.db2.gz VALXSSYXPWLOHL-IBGZPJMESA-N 1 1 319.408 3.308 10 0 DGAEMO c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CCCSC3)n1)C2 ZINC000624021153 401614137 /nfs/dbraw/zinc/61/41/37/401614137.db2.gz DUTPUVKNWFLSQX-OAHLLOKOSA-N 1 1 312.442 3.304 10 0 DGAEMO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628545191 401614433 /nfs/dbraw/zinc/61/44/33/401614433.db2.gz CINOEFHJBCGSNV-QAPCUYQASA-N 1 1 322.493 3.295 10 0 DGAEMO Brc1ccc2[nH+]ccc(N3CC4(C3)CCCO4)c2c1 ZINC000624543340 401669932 /nfs/dbraw/zinc/66/99/32/401669932.db2.gz YOLRRXOHEKPWHT-UHFFFAOYSA-N 1 1 319.202 3.367 10 0 DGAEMO Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@H](C)[N@@H+](C)C2CC2)o1 ZINC000174734038 292208853 /nfs/dbraw/zinc/20/88/53/292208853.db2.gz VITRMMDJHKDVAV-BBRMVZONSA-N 1 1 319.449 3.307 10 0 DGAEMO CC[C@](C)(OC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000359556674 286335288 /nfs/dbraw/zinc/33/52/88/286335288.db2.gz FLHLEZIEHQLMKU-UNEWFSDZSA-N 1 1 324.490 3.062 10 0 DGAEMO O=C1[C@@H]([NH2+]Cc2ccsc2Cl)CCN1c1ccccc1 ZINC000359721333 286367700 /nfs/dbraw/zinc/36/77/00/286367700.db2.gz OJDBVYBRUKEEEB-ZDUSSCGKSA-N 1 1 306.818 3.297 10 0 DGAEMO COC[C@@H]([NH2+]Cc1cnn(CC(C)C)c1)c1ccc(F)cc1 ZINC000359933798 286391453 /nfs/dbraw/zinc/39/14/53/286391453.db2.gz QRQRLNJBUOWJIC-QGZVFWFLSA-N 1 1 305.397 3.156 10 0 DGAEMO c1cn(CCCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)cn1 ZINC000361072015 286590472 /nfs/dbraw/zinc/59/04/72/286590472.db2.gz DKFPUNSBBVTXBO-UHFFFAOYSA-N 1 1 314.433 3.441 10 0 DGAEMO CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1nc3ccccc3[nH]1)C2 ZINC000364387331 287021060 /nfs/dbraw/zinc/02/10/60/287021060.db2.gz PPRABLVWLHADKR-NSHDSACASA-N 1 1 323.400 3.153 10 0 DGAEMO Cc1nccnc1[C@@H](C)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000364850337 287067569 /nfs/dbraw/zinc/06/75/69/287067569.db2.gz UWBUFMFDBNQLQH-YLJYHZDGSA-N 1 1 324.472 3.490 10 0 DGAEMO Cc1nccnc1[C@@H](C)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000364850337 287067570 /nfs/dbraw/zinc/06/75/70/287067570.db2.gz UWBUFMFDBNQLQH-YLJYHZDGSA-N 1 1 324.472 3.490 10 0 DGAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000177712892 164813700 /nfs/dbraw/zinc/81/37/00/164813700.db2.gz PRVQZLPRLOWXRC-DLBZAZTESA-N 1 1 317.477 3.047 10 0 DGAEMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc2)n1 ZINC000185335529 165000762 /nfs/dbraw/zinc/00/07/62/165000762.db2.gz VGSWBWXAERVIJK-LJQANCHMSA-N 1 1 315.461 3.328 10 0 DGAEMO CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185372555 165002989 /nfs/dbraw/zinc/00/29/89/165002989.db2.gz TXOGKHLBIRPKCR-CQSZACIVSA-N 1 1 307.413 3.034 10 0 DGAEMO Cc1oc2ccccc2c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000185896876 165020102 /nfs/dbraw/zinc/02/01/02/165020102.db2.gz UQCMBBDOOFEQLR-GOEBONIOSA-N 1 1 312.413 3.298 10 0 DGAEMO CN(CC[N@@H+](C)C1CC1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000186788583 165060072 /nfs/dbraw/zinc/06/00/72/165060072.db2.gz UMIVCCMRZUJDDY-UHFFFAOYSA-N 1 1 303.381 3.007 10 0 DGAEMO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)c2ccc(F)cc2F)cn1 ZINC000186946783 165067457 /nfs/dbraw/zinc/06/74/57/165067457.db2.gz NBNQSNJYYRTLTG-INIZCTEOSA-N 1 1 319.355 3.108 10 0 DGAEMO Cn1cc([C@@H]2CCC[N@H+]2CCC(=O)c2ccc(F)cc2F)cn1 ZINC000186946783 165067458 /nfs/dbraw/zinc/06/74/58/165067458.db2.gz NBNQSNJYYRTLTG-INIZCTEOSA-N 1 1 319.355 3.108 10 0 DGAEMO Cc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C)n1 ZINC000187130948 165078454 /nfs/dbraw/zinc/07/84/54/165078454.db2.gz LYVLAXMJBCHBPI-OAQYLSRUSA-N 1 1 302.443 3.068 10 0 DGAEMO Cc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C)n1 ZINC000187130948 165078462 /nfs/dbraw/zinc/07/84/62/165078462.db2.gz LYVLAXMJBCHBPI-OAQYLSRUSA-N 1 1 302.443 3.068 10 0 DGAEMO CC(C)[C@](C)(O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000187201709 165081451 /nfs/dbraw/zinc/08/14/51/165081451.db2.gz HOAHRJXWCCQAFP-KBXCAEBGSA-N 1 1 302.418 3.414 10 0 DGAEMO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1F ZINC000187257559 165082206 /nfs/dbraw/zinc/08/22/06/165082206.db2.gz WTAQQRHFJSEVQP-MRXNPFEDSA-N 1 1 319.355 3.488 10 0 DGAEMO O=C(CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1F ZINC000187257559 165082207 /nfs/dbraw/zinc/08/22/07/165082207.db2.gz WTAQQRHFJSEVQP-MRXNPFEDSA-N 1 1 319.355 3.488 10 0 DGAEMO CC(C)CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187531663 165093956 /nfs/dbraw/zinc/09/39/56/165093956.db2.gz ORIMASMDVYLMPY-IBGZPJMESA-N 1 1 319.445 3.103 10 0 DGAEMO CC(C)CCOc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187531663 165093958 /nfs/dbraw/zinc/09/39/58/165093958.db2.gz ORIMASMDVYLMPY-IBGZPJMESA-N 1 1 319.445 3.103 10 0 DGAEMO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H]1CCCO1 ZINC000187810030 165103663 /nfs/dbraw/zinc/10/36/63/165103663.db2.gz DFBXLWSLWZJCKZ-ZDUSSCGKSA-N 1 1 308.328 3.231 10 0 DGAEMO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H]1CCCO1 ZINC000187810030 165103666 /nfs/dbraw/zinc/10/36/66/165103666.db2.gz DFBXLWSLWZJCKZ-ZDUSSCGKSA-N 1 1 308.328 3.231 10 0 DGAEMO COc1c(C[N@@H+]2CCc3c(cccc3C(C)C)C2)c(C)nn1C ZINC000188128732 165114672 /nfs/dbraw/zinc/11/46/72/165114672.db2.gz WSDSVJDBNYSVDK-UHFFFAOYSA-N 1 1 313.445 3.419 10 0 DGAEMO COc1c(C[N@H+]2CCc3c(cccc3C(C)C)C2)c(C)nn1C ZINC000188128732 165114677 /nfs/dbraw/zinc/11/46/77/165114677.db2.gz WSDSVJDBNYSVDK-UHFFFAOYSA-N 1 1 313.445 3.419 10 0 DGAEMO CCOC(=O)c1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)o1 ZINC000188128412 165115150 /nfs/dbraw/zinc/11/51/50/165115150.db2.gz YGEIANKPJHYELP-HNNXBMFYSA-N 1 1 315.369 3.378 10 0 DGAEMO CCc1csc([C@H]2CCC[N@@H+](CCOCC(F)F)C2)n1 ZINC000188983138 165144908 /nfs/dbraw/zinc/14/49/08/165144908.db2.gz DIXKHHYIUKMAMF-NSHDSACASA-N 1 1 304.406 3.167 10 0 DGAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000189362763 165157478 /nfs/dbraw/zinc/15/74/78/165157478.db2.gz OWWREHODHYEVNG-IACUBPJLSA-N 1 1 317.351 3.186 10 0 DGAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000189538336 165164978 /nfs/dbraw/zinc/16/49/78/165164978.db2.gz CBJTXISSSNSLIU-KSSFIOAISA-N 1 1 315.461 3.092 10 0 DGAEMO CC[C@]1(CO)CCC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000189665480 165173095 /nfs/dbraw/zinc/17/30/95/165173095.db2.gz DRGVUZVTHHOWAU-QGZVFWFLSA-N 1 1 304.365 3.218 10 0 DGAEMO CCC1=C(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCCO1 ZINC000189821455 165178113 /nfs/dbraw/zinc/17/81/13/165178113.db2.gz NAZVOCNJOLWFOF-FUHWJXTLSA-N 1 1 314.429 3.023 10 0 DGAEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1oc(CC(C)C)nc1C ZINC000190425150 165202956 /nfs/dbraw/zinc/20/29/56/165202956.db2.gz YLUWXWOUTMFDNN-OAHLLOKOSA-N 1 1 321.465 3.176 10 0 DGAEMO CCc1n[nH]c(C2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)n1 ZINC000190706471 165213521 /nfs/dbraw/zinc/21/35/21/165213521.db2.gz GVTHXLOBSOGSHE-MRXNPFEDSA-N 1 1 314.408 3.373 10 0 DGAEMO CCc1nc(C2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)n[nH]1 ZINC000190706471 165213523 /nfs/dbraw/zinc/21/35/23/165213523.db2.gz GVTHXLOBSOGSHE-MRXNPFEDSA-N 1 1 314.408 3.373 10 0 DGAEMO O[C@H](CC1CCCC1)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000191314626 165241988 /nfs/dbraw/zinc/24/19/88/165241988.db2.gz HLOAHEGQFNOCJC-SJLPKXTDSA-N 1 1 307.434 3.202 10 0 DGAEMO C[NH+](C)[C@@H](C(=O)NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000191319006 165242077 /nfs/dbraw/zinc/24/20/77/165242077.db2.gz GCIFNVILVOBNHH-LJQANCHMSA-N 1 1 308.425 3.483 10 0 DGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000191342329 165244285 /nfs/dbraw/zinc/24/42/85/165244285.db2.gz RYTODXZOHHOMCX-IAGOWNOFSA-N 1 1 305.466 3.115 10 0 DGAEMO c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191490639 165255116 /nfs/dbraw/zinc/25/51/16/165255116.db2.gz DWGKZOHNHYWWIQ-GOSISDBHSA-N 1 1 311.429 3.337 10 0 DGAEMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1C(F)(F)F ZINC000191663220 165263036 /nfs/dbraw/zinc/26/30/36/165263036.db2.gz UEADMSLYFRKWLW-CYBMUJFWSA-N 1 1 314.351 3.196 10 0 DGAEMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1C(F)(F)F ZINC000191663207 165263218 /nfs/dbraw/zinc/26/32/18/165263218.db2.gz UEADMSLYFRKWLW-ZDUSSCGKSA-N 1 1 314.351 3.196 10 0 DGAEMO CCc1n[nH]c(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)n1 ZINC000191684523 165264548 /nfs/dbraw/zinc/26/45/48/165264548.db2.gz LQCMUYDVVAXOJZ-UHFFFAOYSA-N 1 1 321.428 3.295 10 0 DGAEMO CCc1nc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)n[nH]1 ZINC000191684523 165264551 /nfs/dbraw/zinc/26/45/51/165264551.db2.gz LQCMUYDVVAXOJZ-UHFFFAOYSA-N 1 1 321.428 3.295 10 0 DGAEMO COC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1C)c1ccco1 ZINC000192177060 165285536 /nfs/dbraw/zinc/28/55/36/165285536.db2.gz FVMXXUUHKDBSLX-KRWDZBQOSA-N 1 1 311.385 3.251 10 0 DGAEMO CC[N@H+]1CCC[C@H](NCc2c(F)cccc2Br)C1 ZINC000192497515 165294608 /nfs/dbraw/zinc/29/46/08/165294608.db2.gz KCICZRPNEPFFGM-NSHDSACASA-N 1 1 315.230 3.162 10 0 DGAEMO CCN1CCC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000192497515 165294611 /nfs/dbraw/zinc/29/46/11/165294611.db2.gz KCICZRPNEPFFGM-NSHDSACASA-N 1 1 315.230 3.162 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NCc2c(F)cccc2Br)C1 ZINC000192497528 165295217 /nfs/dbraw/zinc/29/52/17/165295217.db2.gz KCICZRPNEPFFGM-LLVKDONJSA-N 1 1 315.230 3.162 10 0 DGAEMO CCN1CCC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000192497528 165295219 /nfs/dbraw/zinc/29/52/19/165295219.db2.gz KCICZRPNEPFFGM-LLVKDONJSA-N 1 1 315.230 3.162 10 0 DGAEMO Cn1cc([C@@H]2CC[N@@H+](CCSCc3ccccc3)C2)cn1 ZINC000192594266 165298093 /nfs/dbraw/zinc/29/80/93/165298093.db2.gz NCUMPWLOIUVLDB-MRXNPFEDSA-N 1 1 301.459 3.143 10 0 DGAEMO C=Cn1cc(C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cn1 ZINC000193634459 165329356 /nfs/dbraw/zinc/32/93/56/165329356.db2.gz DYXCBPZHEWHDJU-KRWDZBQOSA-N 1 1 313.401 3.338 10 0 DGAEMO C=Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cn1 ZINC000193634459 165329360 /nfs/dbraw/zinc/32/93/60/165329360.db2.gz DYXCBPZHEWHDJU-KRWDZBQOSA-N 1 1 313.401 3.338 10 0 DGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000194269270 165341551 /nfs/dbraw/zinc/34/15/51/165341551.db2.gz XCLBFYPYTUGVJK-HZPDHXFCSA-N 1 1 303.450 3.399 10 0 DGAEMO Cc1csc([C@@H]2CCC[N@@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000195339005 165367286 /nfs/dbraw/zinc/36/72/86/165367286.db2.gz NCIBWQDWIPHLTD-CQSZACIVSA-N 1 1 321.490 3.080 10 0 DGAEMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195353234 165367317 /nfs/dbraw/zinc/36/73/17/165367317.db2.gz NOHOEKKNYSHNLI-AWEZNQCLSA-N 1 1 315.442 3.270 10 0 DGAEMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195353234 165367322 /nfs/dbraw/zinc/36/73/22/165367322.db2.gz NOHOEKKNYSHNLI-AWEZNQCLSA-N 1 1 315.442 3.270 10 0 DGAEMO O[C@H](C[N@H+]1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000195344761 165367623 /nfs/dbraw/zinc/36/76/23/165367623.db2.gz DBVPUJQSAAENMU-DZGCQCFKSA-N 1 1 306.406 3.195 10 0 DGAEMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195350944 165367976 /nfs/dbraw/zinc/36/79/76/165367976.db2.gz IZYRHKGCJDDSIJ-HNNXBMFYSA-N 1 1 316.426 3.309 10 0 DGAEMO O=C(CC[N@@H+]1CCCC[C@@H]1c1nccs1)NC1CCCC1 ZINC000195372584 165369067 /nfs/dbraw/zinc/36/90/67/165369067.db2.gz MEUOTXPSYOSGLN-CQSZACIVSA-N 1 1 307.463 3.119 10 0 DGAEMO O=C(CC[N@H+]1CCCC[C@@H]1c1nccs1)NC1CCCC1 ZINC000195372584 165369068 /nfs/dbraw/zinc/36/90/68/165369068.db2.gz MEUOTXPSYOSGLN-CQSZACIVSA-N 1 1 307.463 3.119 10 0 DGAEMO CCn1cc(C2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)cn1 ZINC000195501388 165371706 /nfs/dbraw/zinc/37/17/06/165371706.db2.gz DFMLYIXOMRZFRT-ZDUSSCGKSA-N 1 1 317.437 3.350 10 0 DGAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)no1 ZINC000195518254 165373776 /nfs/dbraw/zinc/37/37/76/165373776.db2.gz WRRMTHDCSNPJBW-LBPRGKRZSA-N 1 1 307.344 3.111 10 0 DGAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)no1 ZINC000195518254 165373779 /nfs/dbraw/zinc/37/37/79/165373779.db2.gz WRRMTHDCSNPJBW-LBPRGKRZSA-N 1 1 307.344 3.111 10 0 DGAEMO C[C@@H](c1cccc(Br)c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193606612 287142041 /nfs/dbraw/zinc/14/20/41/287142041.db2.gz 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CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@](CC)(CO)C1 ZINC000187620761 432673027 /nfs/dbraw/zinc/67/30/27/432673027.db2.gz HISXKUWUPSQDSX-SFHVURJKSA-N 1 1 319.424 3.180 10 0 DGAEMO CC(C)[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(F)c(F)c1 ZINC000187704561 432678525 /nfs/dbraw/zinc/67/85/25/432678525.db2.gz SSRHYWWMXYSZAI-OAHLLOKOSA-N 1 1 308.328 3.144 10 0 DGAEMO CSc1ccc([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1F ZINC000187729248 432680001 /nfs/dbraw/zinc/68/00/01/432680001.db2.gz GUPAOTXZFNHAOJ-SECBINFHSA-N 1 1 308.378 3.090 10 0 DGAEMO CCc1noc(C)c1[C@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000225457765 432691006 /nfs/dbraw/zinc/69/10/06/432691006.db2.gz CCYPMSVPNMWSHO-LBPRGKRZSA-N 1 1 320.462 3.194 10 0 DGAEMO Cc1cnn(CCCCC[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178517246 432746832 /nfs/dbraw/zinc/74/68/32/432746832.db2.gz GFKFSKZCMOZBIR-INIZCTEOSA-N 1 1 321.465 3.025 10 0 DGAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189379343 432782042 /nfs/dbraw/zinc/78/20/42/432782042.db2.gz 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CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245433827 432830248 /nfs/dbraw/zinc/83/02/48/432830248.db2.gz PLOFGTOMDWDXNM-UXHICEINSA-N 1 1 315.505 3.240 10 0 DGAEMO CCOc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000245433602 432830785 /nfs/dbraw/zinc/83/07/85/432830785.db2.gz QFPNCEDDNBWVLN-CVEARBPZSA-N 1 1 317.433 3.176 10 0 DGAEMO COc1ccc([C@@H](C)NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000245469110 432835554 /nfs/dbraw/zinc/83/55/54/432835554.db2.gz URWCHMHUAZAYGD-LSDHHAIUSA-N 1 1 306.450 3.229 10 0 DGAEMO COc1ccc([C@@H](C)NCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000245469110 432835557 /nfs/dbraw/zinc/83/55/57/432835557.db2.gz URWCHMHUAZAYGD-LSDHHAIUSA-N 1 1 306.450 3.229 10 0 DGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000245472247 432835722 /nfs/dbraw/zinc/83/57/22/432835722.db2.gz OURNVXKVQKVXNN-WMZOPIPTSA-N 1 1 317.477 3.224 10 0 DGAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000245469426 432835814 /nfs/dbraw/zinc/83/58/14/432835814.db2.gz 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322.412 3.435 10 0 DGAEMO Cc1ccc(N2CCC[N@@H+](Cc3cc4ccccc4o3)CC2)nn1 ZINC000178529246 432749408 /nfs/dbraw/zinc/74/94/08/432749408.db2.gz VFGAFBLMLOERSE-UHFFFAOYSA-N 1 1 322.412 3.244 10 0 DGAEMO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178538958 432750456 /nfs/dbraw/zinc/75/04/56/432750456.db2.gz UPKIOBFGGVAKKM-CYBMUJFWSA-N 1 1 317.820 3.050 10 0 DGAEMO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189102343 432764027 /nfs/dbraw/zinc/76/40/27/432764027.db2.gz CLRLZFKYXTUISV-HNNXBMFYSA-N 1 1 324.424 3.073 10 0 DGAEMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189102343 432764031 /nfs/dbraw/zinc/76/40/31/432764031.db2.gz CLRLZFKYXTUISV-HNNXBMFYSA-N 1 1 324.424 3.073 10 0 DGAEMO CC(C)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000189269760 432773878 /nfs/dbraw/zinc/77/38/78/432773878.db2.gz OCYDJDPEQROMTN-AWEZNQCLSA-N 1 1 306.837 3.384 10 0 DGAEMO CO[C@H]1C[N@H+](Cc2ccc(Br)s2)CC[C@@H]1C ZINC000189295925 432775200 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C[N@@H+](CCc1ccc(F)cc1)Cn1nccc1-c1ccncc1 ZINC000067094490 656983675 /nfs/dbraw/zinc/98/36/75/656983675.db2.gz VNEMALPKXSMECH-UHFFFAOYSA-N 1 1 310.376 3.216 10 0 DGAEMO C/C(=C\c1ccccc1Cl)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000178886573 657096733 /nfs/dbraw/zinc/09/67/33/657096733.db2.gz KYTWNJOESDOGJG-FQNOHDAGSA-N 1 1 304.821 3.050 10 0 DGAEMO Cc1nc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)cs1 ZINC000720341957 657414803 /nfs/dbraw/zinc/41/48/03/657414803.db2.gz RBZYXYQVGSNYOK-ZCFIWIBFSA-N 1 1 304.284 3.274 10 0 DGAEMO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000250215013 657455392 /nfs/dbraw/zinc/45/53/92/657455392.db2.gz SMWIMVZVIUVCHM-RTBURBONSA-N 1 1 311.425 3.436 10 0 DGAEMO C[C@H]([NH3+])c1nc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)cs1 ZINC000251278480 657510986 /nfs/dbraw/zinc/51/09/86/657510986.db2.gz QJJBPSXUNVNONH-QJPTWQEYSA-N 1 1 309.479 3.498 10 0 DGAEMO CC[C@@]1(CO)CCC[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000251794110 657535461 /nfs/dbraw/zinc/53/54/61/657535461.db2.gz 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662202468 /nfs/dbraw/zinc/20/24/68/662202468.db2.gz SZYUPWRGJOWHAE-QWHCGFSZSA-N 1 1 324.852 3.387 10 0 DGAEMO Cc1cc(C)cc([C@@H](O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000245418751 662232778 /nfs/dbraw/zinc/23/27/78/662232778.db2.gz ANLKOCUUNRHHGL-AABGKKOBSA-N 1 1 316.489 3.284 10 0 DGAEMO CC(C)c1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000245536932 662234882 /nfs/dbraw/zinc/23/48/82/662234882.db2.gz GDKIVYWTFVGCGA-FUHWJXTLSA-N 1 1 318.461 3.231 10 0 DGAEMO CCN(CC)c1ncc(C[NH2+]Cc2cnc(Cl)s2)s1 ZINC000718205124 662249781 /nfs/dbraw/zinc/24/97/81/662249781.db2.gz OWELZQHZDSLASC-UHFFFAOYSA-N 1 1 316.883 3.389 10 0 DGAEMO Clc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccn1 ZINC000089952181 662250984 /nfs/dbraw/zinc/25/09/84/662250984.db2.gz CCVKGTHWLYPASE-KGLIPLIRSA-N 1 1 312.866 3.222 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCCCCCC2)[C@@H](C)C1 ZINC000246490249 662261757 /nfs/dbraw/zinc/26/17/57/662261757.db2.gz RSEHUWKEEXAQBQ-DOTOQJQBSA-N 1 1 309.498 3.471 10 0 DGAEMO 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CO[C@@H]1CC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000441344528 533413088 /nfs/dbraw/zinc/41/30/88/533413088.db2.gz FDBMTQWVLCLKDX-GXTWGEPZSA-N 1 1 300.402 3.158 10 0 DGAEMO OC[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)C1CC1 ZINC000357817536 285882019 /nfs/dbraw/zinc/88/20/19/285882019.db2.gz ZMJRMPDYRWRJHO-LLVKDONJSA-N 1 1 321.218 3.428 10 0 DGAEMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2ccccc2=O)o1 ZINC000608510807 400082808 /nfs/dbraw/zinc/08/28/08/400082808.db2.gz ULPKOPSFABXOKL-HOCLYGCPSA-N 1 1 300.402 3.223 10 0 DGAEMO CC[N@@H+]1CCOC[C@H]1c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC000616600360 400181626 /nfs/dbraw/zinc/18/16/26/400181626.db2.gz FQQQLGBBTDBSSX-INIZCTEOSA-N 1 1 320.433 3.451 10 0 DGAEMO CC[N@H+]1CCOC[C@H]1c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC000616600360 400181630 /nfs/dbraw/zinc/18/16/30/400181630.db2.gz FQQQLGBBTDBSSX-INIZCTEOSA-N 1 1 320.433 3.451 10 0 DGAEMO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@H+]2CCO)c1 ZINC000616608504 400183051 /nfs/dbraw/zinc/18/30/51/400183051.db2.gz 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ZINC000151376398 400672381 /nfs/dbraw/zinc/67/23/81/400672381.db2.gz RLTZUFXKVPFTPU-RBUKOAKNSA-N 1 1 312.457 3.220 10 0 DGAEMO c1ccc(C[N@@H+](Cc2nnnn2C2CC2)C2CCCCC2)cc1 ZINC000052832578 400749381 /nfs/dbraw/zinc/74/93/81/400749381.db2.gz LUEHGTBPVWAZBI-UHFFFAOYSA-N 1 1 311.433 3.343 10 0 DGAEMO c1ccc(C[N@H+](Cc2nnnn2C2CC2)C2CCCCC2)cc1 ZINC000052832578 400749387 /nfs/dbraw/zinc/74/93/87/400749387.db2.gz LUEHGTBPVWAZBI-UHFFFAOYSA-N 1 1 311.433 3.343 10 0 DGAEMO COc1cc(C[NH2+]Cc2ccoc2)c(Br)cc1O ZINC000172115176 400814511 /nfs/dbraw/zinc/81/45/11/400814511.db2.gz AQDAODYDLRLTQH-UHFFFAOYSA-N 1 1 312.163 3.046 10 0 DGAEMO Cc1c[nH+]c(CCNC(=O)c2ccc3ncccc3c2)n1C1CC1 ZINC000169787945 400761281 /nfs/dbraw/zinc/76/12/81/400761281.db2.gz WFSZIIYDEFZFCS-UHFFFAOYSA-N 1 1 320.396 3.047 10 0 DGAEMO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC000604318481 400765006 /nfs/dbraw/zinc/76/50/06/400765006.db2.gz RNRMWPIAWFPOTG-TZMCWYRMSA-N 1 1 321.490 3.471 10 0 DGAEMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC000604318481 400765015 /nfs/dbraw/zinc/76/50/15/400765015.db2.gz RNRMWPIAWFPOTG-TZMCWYRMSA-N 1 1 321.490 3.471 10 0 DGAEMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619510963 400859376 /nfs/dbraw/zinc/85/93/76/400859376.db2.gz JAIWDKGYQPRURI-CVEARBPZSA-N 1 1 313.482 3.227 10 0 DGAEMO Cc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)s1 ZINC000175775351 400868790 /nfs/dbraw/zinc/86/87/90/400868790.db2.gz HPZBRVCUHMIBBY-UHFFFAOYSA-N 1 1 315.442 3.236 10 0 DGAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606500710 400922591 /nfs/dbraw/zinc/92/25/91/400922591.db2.gz CQDMYOFXFHNDJB-HOTGVXAUSA-N 1 1 305.466 3.128 10 0 DGAEMO Cc1ccc([C@@H](C)[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)o1 ZINC000058391830 401050999 /nfs/dbraw/zinc/05/09/99/401050999.db2.gz VAGFCMZIBBAERR-CYBMUJFWSA-N 1 1 304.438 3.362 10 0 DGAEMO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000247382821 401053186 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307.409 3.140 10 0 DGAEMO C(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)NC1CCCCCC1 ZINC000423274124 275393837 /nfs/dbraw/zinc/39/38/37/275393837.db2.gz JYSAGENPYNTVQE-NZSAHSFTSA-N 1 1 308.510 3.484 10 0 DGAEMO c1ccc2c(c1)CN(c1cc[nH+]c(NCC[C@H]3CCCOC3)n1)C2 ZINC000528073654 429844890 /nfs/dbraw/zinc/84/48/90/429844890.db2.gz IQDUYWWEQRNNIQ-OAHLLOKOSA-N 1 1 324.428 3.225 10 0 DGAEMO C[N@H+]1CCC[C@H](CN[C@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111528 277074129 /nfs/dbraw/zinc/07/41/29/277074129.db2.gz BZVGYPHXBFKSEL-IJEWVQPXSA-N 1 1 316.474 3.062 10 0 DGAEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000125319705 277615151 /nfs/dbraw/zinc/61/51/51/277615151.db2.gz RTUOSOQJDNLNDY-HOCLYGCPSA-N 1 1 314.433 3.227 10 0 DGAEMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000122527527 278015416 /nfs/dbraw/zinc/01/54/16/278015416.db2.gz AZRPSGQQYZEOJF-RISCZKNCSA-N 1 1 303.381 3.296 10 0 DGAEMO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000090225047 278174541 /nfs/dbraw/zinc/17/45/41/278174541.db2.gz HAOKNIXPEOBXCW-IAQYHMDHSA-N 1 1 302.447 3.494 10 0 DGAEMO CC1(C)CCCC[C@@H]1c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329559552 278207164 /nfs/dbraw/zinc/20/71/64/278207164.db2.gz FPUUSMQWNYEUGN-MJBXVCDLSA-N 1 1 305.422 3.289 10 0 DGAEMO CC1(C)CCCC[C@@H]1c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000329559552 278207165 /nfs/dbraw/zinc/20/71/65/278207165.db2.gz FPUUSMQWNYEUGN-MJBXVCDLSA-N 1 1 305.422 3.289 10 0 DGAEMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000129021013 278241245 /nfs/dbraw/zinc/24/12/45/278241245.db2.gz PPMMTLPVWNEZDZ-LZWOXQAQSA-N 1 1 307.482 3.079 10 0 DGAEMO C[C@@H](Cc1ccccc1)C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191744442 278298311 /nfs/dbraw/zinc/29/83/11/278298311.db2.gz DAXXNBQLVOXXNJ-MAUKXSAKSA-N 1 1 315.486 3.389 10 0 DGAEMO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1nnc2n1CCCC2 ZINC000175016804 278387412 /nfs/dbraw/zinc/38/74/12/278387412.db2.gz KNAMVBNLSMWZBC-ABAIWWIYSA-N 1 1 300.381 3.092 10 0 DGAEMO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119135143 288134298 /nfs/dbraw/zinc/13/42/98/288134298.db2.gz OUQISQBSEGWFQP-VYDXJSESSA-N 1 1 310.482 3.055 10 0 DGAEMO Cc1c2cccc(C)c2oc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222353 431333659 /nfs/dbraw/zinc/33/36/59/431333659.db2.gz DQCBNVKTXBMFIR-ZFWWWQNUSA-N 1 1 312.413 3.358 10 0 DGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000113222666 431335535 /nfs/dbraw/zinc/33/55/35/431335535.db2.gz RKSVKHSDZGZQQB-NVXWUHKLSA-N 1 1 300.446 3.049 10 0 DGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000113232091 431336188 /nfs/dbraw/zinc/33/61/88/431336188.db2.gz GWVFIGCVMDKUCE-BXUZGUMPSA-N 1 1 318.804 3.395 10 0 DGAEMO CSc1ccc(C)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113230259 431336661 /nfs/dbraw/zinc/33/66/61/431336661.db2.gz NDWOWEYYMMQVLO-UONOGXRCSA-N 1 1 304.459 3.026 10 0 DGAEMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000074351272 431414415 /nfs/dbraw/zinc/41/44/15/431414415.db2.gz PQNQNOCYEXOBKO-HNNXBMFYSA-N 1 1 308.385 3.306 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(C)c2C)C1 ZINC000115807119 431476847 /nfs/dbraw/zinc/47/68/47/431476847.db2.gz HZGFMNFTGYRNEF-JKSUJKDBSA-N 1 1 303.450 3.148 10 0 DGAEMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116292631 431499038 /nfs/dbraw/zinc/49/90/38/431499038.db2.gz ZKGSSCJINUSBAO-CZUORRHYSA-N 1 1 316.376 3.261 10 0 DGAEMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116292631 431499045 /nfs/dbraw/zinc/49/90/45/431499045.db2.gz ZKGSSCJINUSBAO-CZUORRHYSA-N 1 1 316.376 3.261 10 0 DGAEMO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116287897 431499870 /nfs/dbraw/zinc/49/98/70/431499870.db2.gz MZIYDWNXCJHDOF-GYTBAZASSA-N 1 1 304.434 3.500 10 0 DGAEMO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116287897 431499875 /nfs/dbraw/zinc/49/98/75/431499875.db2.gz MZIYDWNXCJHDOF-GYTBAZASSA-N 1 1 304.434 3.500 10 0 DGAEMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075901271 431504143 /nfs/dbraw/zinc/50/41/43/431504143.db2.gz OKOWVKMIOJSDKF-KEYYUXOJSA-N 1 1 309.425 3.385 10 0 DGAEMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000075885837 431504522 /nfs/dbraw/zinc/50/45/22/431504522.db2.gz SBLTXOOGUHTZSL-QGZVFWFLSA-N 1 1 312.461 3.454 10 0 DGAEMO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116295435 431504777 /nfs/dbraw/zinc/50/47/77/431504777.db2.gz ZVCCMAMKOTZOSU-INIZCTEOSA-N 1 1 324.380 3.103 10 0 DGAEMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116404517 431509845 /nfs/dbraw/zinc/50/98/45/431509845.db2.gz FCGVWLYDEUAAMV-DOTOQJQBSA-N 1 1 301.386 3.165 10 0 DGAEMO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012474953 431510410 /nfs/dbraw/zinc/51/04/10/431510410.db2.gz IFUWRLJCEAGZIX-GOSISDBHSA-N 1 1 322.399 3.188 10 0 DGAEMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1c1ccco1)c1ccco1 ZINC000116521130 431514638 /nfs/dbraw/zinc/51/46/38/431514638.db2.gz QHCJNXMWXFPNNI-UONOGXRCSA-N 1 1 317.389 3.022 10 0 DGAEMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000076809674 431561958 /nfs/dbraw/zinc/56/19/58/431561958.db2.gz WTWPFOLTFCIPOU-IUODEOHRSA-N 1 1 314.408 3.210 10 0 DGAEMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000076809674 431561961 /nfs/dbraw/zinc/56/19/61/431561961.db2.gz WTWPFOLTFCIPOU-IUODEOHRSA-N 1 1 314.408 3.210 10 0 DGAEMO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ncc(Cl)n3C)C2)cc1 ZINC000076389651 431547359 /nfs/dbraw/zinc/54/73/59/431547359.db2.gz OMXJJTLOUBCVPI-TZMCWYRMSA-N 1 1 319.836 3.460 10 0 DGAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ncc(Cl)n3C)C2)cc1 ZINC000076389651 431547368 /nfs/dbraw/zinc/54/73/68/431547368.db2.gz OMXJJTLOUBCVPI-TZMCWYRMSA-N 1 1 319.836 3.460 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(CC(C)C)n2)[C@H](C)C1 ZINC000076491485 431551712 /nfs/dbraw/zinc/55/17/12/431551712.db2.gz AQGDNBALYPERQJ-HIFRSBDPSA-N 1 1 323.506 3.144 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2SC)[C@H](C)C1 ZINC000076487536 431552182 /nfs/dbraw/zinc/55/21/82/431552182.db2.gz MWUAFCZVMZNNTJ-VXGBXAGGSA-N 1 1 312.504 3.272 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)/C=C(/C)c2ccc(F)cc2)[C@H](C)C1 ZINC000076486163 431552687 /nfs/dbraw/zinc/55/26/87/431552687.db2.gz XXCZLQXRGYLSAA-CQGBEHSFSA-N 1 1 318.436 3.418 10 0 DGAEMO CC(C)[C@H](C)N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000086425252 280201350 /nfs/dbraw/zinc/20/13/50/280201350.db2.gz WWJXCMFXKVXPJA-YTTRVJOFSA-N 1 1 307.482 3.220 10 0 DGAEMO O=C(CC[N@@H+]1CC=C(c2cccs2)CC1)NC1CCCC1 ZINC000117893136 431582430 /nfs/dbraw/zinc/58/24/30/431582430.db2.gz UULVXDOCFJBSGI-UHFFFAOYSA-N 1 1 304.459 3.286 10 0 DGAEMO CCOCCN1CC[N@@H+](CCSc2ccccc2)C[C@H]1CC ZINC000117880114 431583680 /nfs/dbraw/zinc/58/36/80/431583680.db2.gz ACXXLQUHTIZBNF-QGZVFWFLSA-N 1 1 322.518 3.211 10 0 DGAEMO CCOCC[N@@H+]1CCN(CCSc2ccccc2)C[C@H]1CC ZINC000117880114 431583682 /nfs/dbraw/zinc/58/36/82/431583682.db2.gz ACXXLQUHTIZBNF-QGZVFWFLSA-N 1 1 322.518 3.211 10 0 DGAEMO CCOCC[N@H+]1CCN(CCSc2ccccc2)C[C@H]1CC ZINC000117880114 431583687 /nfs/dbraw/zinc/58/36/87/431583687.db2.gz ACXXLQUHTIZBNF-QGZVFWFLSA-N 1 1 322.518 3.211 10 0 DGAEMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C1CCOCC1 ZINC000077323633 431584852 /nfs/dbraw/zinc/58/48/52/431584852.db2.gz TZGYGECRKDXXBT-UHFFFAOYSA-N 1 1 310.825 3.168 10 0 DGAEMO C[C@H](CNC(=O)N1CC=C(c2cccs2)CC1)[N@@H+](C)C1CC1 ZINC000118072144 431587289 /nfs/dbraw/zinc/58/72/89/431587289.db2.gz YUBDQBDKTCZCOM-CYBMUJFWSA-N 1 1 319.474 3.030 10 0 DGAEMO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnc1Cl ZINC000119161961 431654465 /nfs/dbraw/zinc/65/44/65/431654465.db2.gz UGHWMGGTLYQMFN-QXMXGUDHSA-N 1 1 322.840 3.180 10 0 DGAEMO O=C(c1cccc(Oc2ccccc2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932826 431697328 /nfs/dbraw/zinc/69/73/28/431697328.db2.gz KHNJQQNHWXWFPV-QGZVFWFLSA-N 1 1 322.408 3.399 10 0 DGAEMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C(C)C)n2C)C12CCCC2 ZINC000121120253 431748374 /nfs/dbraw/zinc/74/83/74/431748374.db2.gz XHSKSFNUAPXCOR-GJZGRUSLSA-N 1 1 320.481 3.108 10 0 DGAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C(C)C)n2C)C12CCCC2 ZINC000121120253 431748379 /nfs/dbraw/zinc/74/83/79/431748379.db2.gz XHSKSFNUAPXCOR-GJZGRUSLSA-N 1 1 320.481 3.108 10 0 DGAEMO CNC(=O)c1ccc(C[N@@H+](C)C/C=C/c2ccccc2OC)cc1 ZINC000121164166 431748540 /nfs/dbraw/zinc/74/85/40/431748540.db2.gz FMARCSFGIDDJKO-SOFGYWHQSA-N 1 1 324.424 3.200 10 0 DGAEMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000079949683 431754489 /nfs/dbraw/zinc/75/44/89/431754489.db2.gz DUHNXLZHZDDDML-KBXCAEBGSA-N 1 1 316.445 3.089 10 0 DGAEMO CC(=O)Nc1ccccc1C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000121508185 431795663 /nfs/dbraw/zinc/79/56/63/431795663.db2.gz CWWASTZVCXIWGC-UHFFFAOYSA-N 1 1 312.413 3.464 10 0 DGAEMO C[N@H+](Cc1ccsc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121747433 431805589 /nfs/dbraw/zinc/80/55/89/431805589.db2.gz JFTPMNANHBSCBX-HNNXBMFYSA-N 1 1 322.499 3.315 10 0 DGAEMO CCOCc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000122007198 431807475 /nfs/dbraw/zinc/80/74/75/431807475.db2.gz FRAYNWBQURXTQF-YOEHRIQHSA-N 1 1 319.449 3.073 10 0 DGAEMO CCSc1ccc(OC)c(C(=O)NC[C@H]2CCC[N@H+]2CC)c1 ZINC000033506011 431814564 /nfs/dbraw/zinc/81/45/64/431814564.db2.gz CAIGFLNGTILGDB-CYBMUJFWSA-N 1 1 322.474 3.021 10 0 DGAEMO CC(C)c1nnc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1C ZINC000121372124 431778763 /nfs/dbraw/zinc/77/87/63/431778763.db2.gz YFYSZTKLVAGONI-DZGCQCFKSA-N 1 1 316.424 3.456 10 0 DGAEMO CC(C)c1nnc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1C ZINC000121372124 431778769 /nfs/dbraw/zinc/77/87/69/431778769.db2.gz YFYSZTKLVAGONI-DZGCQCFKSA-N 1 1 316.424 3.456 10 0 DGAEMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784035 /nfs/dbraw/zinc/78/40/35/431784035.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 1 1 312.404 3.450 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCc2cccs2)[C@H](C)C1 ZINC000122638190 431840411 /nfs/dbraw/zinc/84/04/11/431840411.db2.gz UQOYHFCPTCIDMH-ZBFHGGJFSA-N 1 1 308.491 3.260 10 0 DGAEMO CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086167012 431842919 /nfs/dbraw/zinc/84/29/19/431842919.db2.gz KRZSLERUWKFCPX-STQMWFEESA-N 1 1 300.406 3.339 10 0 DGAEMO C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000123002457 431851550 /nfs/dbraw/zinc/85/15/50/431851550.db2.gz XUWDQONJBZJMOQ-KFWWJZLASA-N 1 1 306.425 3.260 10 0 DGAEMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044380788 431873395 /nfs/dbraw/zinc/87/33/95/431873395.db2.gz HLODPTXYJPTKMD-HNNXBMFYSA-N 1 1 321.367 3.145 10 0 DGAEMO Cc1cccc(OCCCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123398153 431863708 /nfs/dbraw/zinc/86/37/08/431863708.db2.gz OKZFDGLBAAQBEI-IAGOWNOFSA-N 1 1 318.461 3.095 10 0 DGAEMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1SC ZINC000123407990 431863817 /nfs/dbraw/zinc/86/38/17/431863817.db2.gz QGNMXGKKNVINDN-HIFRSBDPSA-N 1 1 308.491 3.332 10 0 DGAEMO 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432862191 /nfs/dbraw/zinc/86/21/91/432862191.db2.gz LHDRQTILXGKNCD-CVEARBPZSA-N 1 1 311.429 3.169 10 0 DGAEMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000245774935 432862193 /nfs/dbraw/zinc/86/21/93/432862193.db2.gz LHDRQTILXGKNCD-CVEARBPZSA-N 1 1 311.429 3.169 10 0 DGAEMO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1OC ZINC000245811994 432863740 /nfs/dbraw/zinc/86/37/40/432863740.db2.gz ZNSDHLMSSNBLBR-SJORKVTESA-N 1 1 318.461 3.151 10 0 DGAEMO COc1ccccc1[C@@H](C)CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000245834628 432865165 /nfs/dbraw/zinc/86/51/65/432865165.db2.gz BPYCXBQWXONRTQ-JKSUJKDBSA-N 1 1 318.461 3.179 10 0 DGAEMO CC[C@@H](C)[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000245919295 432869704 /nfs/dbraw/zinc/86/97/04/432869704.db2.gz SQPGYHWYPNAMQL-GHMZBOCLSA-N 1 1 306.233 3.463 10 0 DGAEMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000245928937 432870182 /nfs/dbraw/zinc/87/01/82/432870182.db2.gz INYYLWZXCPGDJB-RBSFLKMASA-N 1 1 306.475 3.151 10 0 DGAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000245968414 432873318 /nfs/dbraw/zinc/87/33/18/432873318.db2.gz ZAKYOWHQADGILW-VZJWBNGJSA-N 1 1 322.452 3.494 10 0 DGAEMO C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1c1ccc(Cl)cc1 ZINC000245987703 432873778 /nfs/dbraw/zinc/87/37/78/432873778.db2.gz WIOZULPYYWOEJL-JKSUJKDBSA-N 1 1 304.821 3.168 10 0 DGAEMO C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1c1ccc(Cl)cc1 ZINC000245987703 432873780 /nfs/dbraw/zinc/87/37/80/432873780.db2.gz WIOZULPYYWOEJL-JKSUJKDBSA-N 1 1 304.821 3.168 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245991978 432873843 /nfs/dbraw/zinc/87/38/43/432873843.db2.gz ILZVITAHBIGCHL-XJKSGUPXSA-N 1 1 307.413 3.328 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000246028989 432874791 /nfs/dbraw/zinc/87/47/91/432874791.db2.gz NJJBGMADEZQJLG-RDJZCZTQSA-N 1 1 303.450 3.497 10 0 DGAEMO Cc1cccnc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245534823 432840027 /nfs/dbraw/zinc/84/00/27/432840027.db2.gz KFIWUWXIYBWRGX-MSOLQXFVSA-N 1 1 301.478 3.476 10 0 DGAEMO Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)o2)cc1 ZINC000245537234 432840145 /nfs/dbraw/zinc/84/01/45/432840145.db2.gz IPZOJMGUBULNRF-GDBMZVCRSA-N 1 1 312.413 3.341 10 0 DGAEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ncccc2C)C1 ZINC000245536389 432840242 /nfs/dbraw/zinc/84/02/42/432840242.db2.gz LDVVDDZSFSXXKW-ZWKOTPCHSA-N 1 1 324.424 3.169 10 0 DGAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)C1 ZINC000245539939 432841410 /nfs/dbraw/zinc/84/14/10/432841410.db2.gz JXVXCIBVAZGTEJ-IRXDYDNUSA-N 1 1 318.461 3.143 10 0 DGAEMO COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000245538649 432842050 /nfs/dbraw/zinc/84/20/50/432842050.db2.gz HDCKASDYVGCURP-IRXDYDNUSA-N 1 1 316.445 3.135 10 0 DGAEMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000245546411 432842060 /nfs/dbraw/zinc/84/20/60/432842060.db2.gz DFQOSKSCSYPGQS-UVBJJODRSA-N 1 1 321.852 3.183 10 0 DGAEMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000245546411 432842061 /nfs/dbraw/zinc/84/20/61/432842061.db2.gz DFQOSKSCSYPGQS-UVBJJODRSA-N 1 1 321.852 3.183 10 0 DGAEMO C[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C[C@H]1n1ccnc1 ZINC000245561760 432845134 /nfs/dbraw/zinc/84/51/34/432845134.db2.gz CEXBAKHZQOJJEQ-IUODEOHRSA-N 1 1 314.364 3.247 10 0 DGAEMO C[C@@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C[C@H]1n1ccnc1 ZINC000245561760 432845140 /nfs/dbraw/zinc/84/51/40/432845140.db2.gz CEXBAKHZQOJJEQ-IUODEOHRSA-N 1 1 314.364 3.247 10 0 DGAEMO CCCOc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000245566851 432845710 /nfs/dbraw/zinc/84/57/10/432845710.db2.gz TYUJSVDHWJRBSW-PBHICJAKSA-N 1 1 319.449 3.326 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245570151 432846508 /nfs/dbraw/zinc/84/65/08/432846508.db2.gz BAWSYSKWEIAMGA-HKUYNNGSSA-N 1 1 316.489 3.343 10 0 DGAEMO CCC[C@H](C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000245609179 432848858 /nfs/dbraw/zinc/84/88/58/432848858.db2.gz AMYJKWFMWFZBIG-SXLOBPIMSA-N 1 1 316.489 3.223 10 0 DGAEMO CCC[C@H](C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000245609176 432848898 /nfs/dbraw/zinc/84/88/98/432848898.db2.gz AMYJKWFMWFZBIG-RLLQIKCJSA-N 1 1 316.489 3.223 10 0 DGAEMO Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000245656011 432853478 /nfs/dbraw/zinc/85/34/78/432853478.db2.gz OEFVLBSZCZFEHH-MOPGFXCFSA-N 1 1 323.440 3.240 10 0 DGAEMO Cc1ccc(C)c([C@@H]2C[N@H+](CC3=CCCOC3)[C@@H](C)CO2)c1 ZINC000245702525 432857096 /nfs/dbraw/zinc/85/70/96/432857096.db2.gz DHYBALKVOUTYJQ-LPHOPBHVSA-N 1 1 301.430 3.412 10 0 DGAEMO Cc1ccc(C)c([C@@H]2C[N@@H+](CC3=CCCOC3)[C@@H](C)CO2)c1 ZINC000245702525 432857097 /nfs/dbraw/zinc/85/70/97/432857097.db2.gz DHYBALKVOUTYJQ-LPHOPBHVSA-N 1 1 301.430 3.412 10 0 DGAEMO CC(=O)CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372954070 433066459 /nfs/dbraw/zinc/06/64/59/433066459.db2.gz WABATXCOGXGJHM-UHFFFAOYSA-N 1 1 304.365 3.324 10 0 DGAEMO CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000333557715 433067746 /nfs/dbraw/zinc/06/77/46/433067746.db2.gz KLZLPISUCCDFPS-MGPQQGTHSA-N 1 1 305.422 3.288 10 0 DGAEMO CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@H]2CCC[N@H+]2C2CC2)n1 ZINC000333557715 433067756 /nfs/dbraw/zinc/06/77/56/433067756.db2.gz KLZLPISUCCDFPS-MGPQQGTHSA-N 1 1 305.422 3.288 10 0 DGAEMO CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000373054518 433080017 /nfs/dbraw/zinc/08/00/17/433080017.db2.gz HPBMZYXTFYRAAQ-IYWMVGAKSA-N 1 1 316.489 3.443 10 0 DGAEMO CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)C ZINC000373054518 433080021 /nfs/dbraw/zinc/08/00/21/433080021.db2.gz HPBMZYXTFYRAAQ-IYWMVGAKSA-N 1 1 316.489 3.443 10 0 DGAEMO O=C(C[N@H+]1CCCC12CCC2)Nc1ccc(OC(F)F)cc1 ZINC000373096492 433093276 /nfs/dbraw/zinc/09/32/76/433093276.db2.gz DHGUGRLSLFMEAX-UHFFFAOYSA-N 1 1 310.344 3.245 10 0 DGAEMO c1ccc(COc2ccccc2C[N@H+]2CCOCC3(CC3)C2)nc1 ZINC000341561680 433135065 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c1nc(C[NH2+]CCCCOc2ccccc2)nn1-c1ccccc1 ZINC000354631340 433189292 /nfs/dbraw/zinc/18/92/92/433189292.db2.gz ZPWOIUHLDTVVAK-UHFFFAOYSA-N 1 1 322.412 3.216 10 0 DGAEMO CC1(C)C[N@@H+](CCSCc2ccccc2)C[C@]2(CCOC2)O1 ZINC000361528219 433224931 /nfs/dbraw/zinc/22/49/31/433224931.db2.gz VKIMSGAGBJUOOO-SFHVURJKSA-N 1 1 321.486 3.190 10 0 DGAEMO CC1(C)C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@]2(CCOC2)O1 ZINC000361530557 433225220 /nfs/dbraw/zinc/22/52/20/433225220.db2.gz YZQIIDNUYARDMZ-WMZOPIPTSA-N 1 1 305.393 3.083 10 0 DGAEMO c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)cn2)nc1 ZINC000425442876 433246813 /nfs/dbraw/zinc/24/68/13/433246813.db2.gz KGNIWNKBDZDYNL-RBUKOAKNSA-N 1 1 309.413 3.287 10 0 DGAEMO FC(F)(F)c1ncc(CN2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000447728192 433267398 /nfs/dbraw/zinc/26/73/98/433267398.db2.gz DKZTZHRGIWXWRT-UHFFFAOYSA-N 1 1 316.352 3.265 10 0 DGAEMO COCCCn1nccc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000374997519 433326179 /nfs/dbraw/zinc/32/61/79/433326179.db2.gz UBBMTAAXKLFLAF-WBVHZDCISA-N 1 1 317.433 3.486 10 0 DGAEMO COCCCn1nccc1C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000374997519 433326187 /nfs/dbraw/zinc/32/61/87/433326187.db2.gz UBBMTAAXKLFLAF-WBVHZDCISA-N 1 1 317.433 3.486 10 0 DGAEMO COc1ccc(F)c(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000447985954 433337962 /nfs/dbraw/zinc/33/79/62/433337962.db2.gz AAHRMQPFHJGUMP-OAHLLOKOSA-N 1 1 323.412 3.076 10 0 DGAEMO OCC[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000421006752 433378680 /nfs/dbraw/zinc/37/86/80/433378680.db2.gz BSGUJSHJVGYCDH-ZDUSSCGKSA-N 1 1 323.387 3.416 10 0 DGAEMO OCC[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000421006752 433378690 /nfs/dbraw/zinc/37/86/90/433378690.db2.gz BSGUJSHJVGYCDH-ZDUSSCGKSA-N 1 1 323.387 3.416 10 0 DGAEMO Cc1nn(C)c(C[N@H+](C)C[C@@H]2CC=CCC2)c1Br ZINC000448334782 433385261 /nfs/dbraw/zinc/38/52/61/433385261.db2.gz KPQZGEGXDIIYQP-GFCCVEGCSA-N 1 1 312.255 3.279 10 0 DGAEMO Cc1nn(C)c(C[N@@H+](C)C[C@@H]2CC=CCC2)c1Br ZINC000448334782 433385271 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CCCCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179266217 432052530 /nfs/dbraw/zinc/05/25/30/432052530.db2.gz GBTRYLUEJKSUII-DLBZAZTESA-N 1 1 303.450 3.263 10 0 DGAEMO CC[C@@H]([NH2+]Cc1cc(OC)c(O)c(OC)c1)c1nccs1 ZINC000080264462 192018691 /nfs/dbraw/zinc/01/86/91/192018691.db2.gz PDJIKGLNJPWLPE-LLVKDONJSA-N 1 1 308.403 3.107 10 0 DGAEMO C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1nnc2n1CCCC2 ZINC000179414811 432057118 /nfs/dbraw/zinc/05/71/18/432057118.db2.gz SOBPNGXLRNMAKZ-KBPBESRZSA-N 1 1 313.449 3.092 10 0 DGAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179436338 432058176 /nfs/dbraw/zinc/05/81/76/432058176.db2.gz GKXWGBNTOWIPDC-OCCSQVGLSA-N 1 1 316.376 3.172 10 0 DGAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000081543565 192287204 /nfs/dbraw/zinc/28/72/04/192287204.db2.gz SRFCUAOGHLHDAC-FIMWJMCYSA-N 1 1 304.409 3.077 10 0 DGAEMO CCCCNc1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000179488169 432060226 /nfs/dbraw/zinc/06/02/26/432060226.db2.gz ICKBRWRPQYRCBL-INIZCTEOSA-N 1 1 315.461 3.209 10 0 DGAEMO CCCCNc1ccccc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000179488169 432060229 /nfs/dbraw/zinc/06/02/29/432060229.db2.gz ICKBRWRPQYRCBL-INIZCTEOSA-N 1 1 315.461 3.209 10 0 DGAEMO CC[C@H]1CN(C/C=C/c2ccc(Cl)cc2)CC[N@H+]1CCOC ZINC000179512173 432060813 /nfs/dbraw/zinc/06/08/13/432060813.db2.gz DKAJRYVBDZNVST-WRFKIARRSA-N 1 1 322.880 3.396 10 0 DGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)c(F)cc1Cl ZINC000133352529 432061312 /nfs/dbraw/zinc/06/13/12/432061312.db2.gz LSRMFDIRZMFBKL-GFCCVEGCSA-N 1 1 312.816 3.344 10 0 DGAEMO COCC[N@H+]1CCN(C/C=C/c2ccc(Cl)cc2)C[C@H]1C ZINC000179509567 432061429 /nfs/dbraw/zinc/06/14/29/432061429.db2.gz MZWTXVGWGQUYND-NHZBNJEXSA-N 1 1 308.853 3.006 10 0 DGAEMO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1sccc1Br ZINC000166880596 432063195 /nfs/dbraw/zinc/06/31/95/432063195.db2.gz PDUSRFMBTXTORB-ZJUUUORDSA-N 1 1 303.269 3.255 10 0 DGAEMO C[C@@H](NC[C@@H]1CCC[N@H+]1C)c1sccc1Br ZINC000166880596 432063197 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CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)n1C ZINC000179593947 199060632 /nfs/dbraw/zinc/06/06/32/199060632.db2.gz FDWQVRSOMZJRCJ-LLVKDONJSA-N 1 1 324.375 3.391 10 0 DGAEMO Cn1cc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2Cl)cn1 ZINC000179607333 199063686 /nfs/dbraw/zinc/06/36/86/199063686.db2.gz QJXZKJZSXHBUAL-HNNXBMFYSA-N 1 1 323.799 3.429 10 0 DGAEMO Cn1cc([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2Cl)cn1 ZINC000179607333 199063688 /nfs/dbraw/zinc/06/36/88/199063688.db2.gz QJXZKJZSXHBUAL-HNNXBMFYSA-N 1 1 323.799 3.429 10 0 DGAEMO Cn1cc([C@@H]2CC[N@@H+](CCOc3ccc(F)cc3Cl)C2)cn1 ZINC000179612090 199064422 /nfs/dbraw/zinc/06/44/22/199064422.db2.gz FYWWSVIPFVFGAO-GFCCVEGCSA-N 1 1 323.799 3.081 10 0 DGAEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000179879321 199090347 /nfs/dbraw/zinc/09/03/47/199090347.db2.gz SPEWCRAUQGVZBO-GFCCVEGCSA-N 1 1 322.815 3.470 10 0 DGAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000179879321 199090349 /nfs/dbraw/zinc/09/03/49/199090349.db2.gz SPEWCRAUQGVZBO-GFCCVEGCSA-N 1 1 322.815 3.470 10 0 DGAEMO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1nc2ccccc2n1C ZINC000180047682 199111975 /nfs/dbraw/zinc/11/19/75/199111975.db2.gz HUFQFKUJKGEENT-GFCCVEGCSA-N 1 1 313.376 3.056 10 0 DGAEMO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180092669 199115819 /nfs/dbraw/zinc/11/58/19/199115819.db2.gz SVUGUYZEKOVSJD-QGZVFWFLSA-N 1 1 314.408 3.025 10 0 DGAEMO C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(C)CC1 ZINC000180096780 199116643 /nfs/dbraw/zinc/11/66/43/199116643.db2.gz VRMWFWHHLCEFJF-KDOFPFPSSA-N 1 1 321.896 3.017 10 0 DGAEMO CCCn1nc(C)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000180120967 199119236 /nfs/dbraw/zinc/11/92/36/199119236.db2.gz UTSLELKOVYODIZ-QGZVFWFLSA-N 1 1 315.465 3.079 10 0 DGAEMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000180140094 199122321 /nfs/dbraw/zinc/12/23/21/199122321.db2.gz CZXKMQGTINRYQR-SJORKVTESA-N 1 1 316.351 3.140 10 0 DGAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000180136753 199122751 /nfs/dbraw/zinc/12/27/51/199122751.db2.gz PWMFRSWPUMKXPF-JLJPHGGASA-N 1 1 314.454 3.413 10 0 DGAEMO COCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000180162213 199125308 /nfs/dbraw/zinc/12/53/08/199125308.db2.gz LRICKEFAJDTFAT-MOPGFXCFSA-N 1 1 324.424 3.008 10 0 DGAEMO C[N@H+]1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1c1ccccc1 ZINC000180172083 199126346 /nfs/dbraw/zinc/12/63/46/199126346.db2.gz ZUVLFTTWBXAEQL-HKUYNNGSSA-N 1 1 319.408 3.343 10 0 DGAEMO CC(=O)c1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180172608 199127105 /nfs/dbraw/zinc/12/71/05/199127105.db2.gz BUIDWSPXLIZCKK-RTBURBONSA-N 1 1 322.408 3.064 10 0 DGAEMO CC(=O)c1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180172608 199127107 /nfs/dbraw/zinc/12/71/07/199127107.db2.gz BUIDWSPXLIZCKK-RTBURBONSA-N 1 1 322.408 3.064 10 0 DGAEMO C[N@H+]1CC[C@@H](NC(=O)CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000180184254 199127920 /nfs/dbraw/zinc/12/79/20/199127920.db2.gz HZMUNDDQIZAOGN-QUCCMNQESA-N 1 1 308.425 3.181 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000180254003 199136926 /nfs/dbraw/zinc/13/69/26/199136926.db2.gz XGOJBRUVXBUIQO-WBVHZDCISA-N 1 1 318.461 3.114 10 0 DGAEMO C[C@@H](NC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180303030 199144273 /nfs/dbraw/zinc/14/42/73/199144273.db2.gz RVWSQXDDDKDXMU-HUUCEWRRSA-N 1 1 301.434 3.461 10 0 DGAEMO COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180614802 199185183 /nfs/dbraw/zinc/18/51/83/199185183.db2.gz UJSJVXFVDVEVNW-CRAIPNDOSA-N 1 1 313.445 3.468 10 0 DGAEMO O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000180667008 199193297 /nfs/dbraw/zinc/19/32/97/199193297.db2.gz UQHGTDSNRPDFIX-IEBWSBKVSA-N 1 1 321.424 3.422 10 0 DGAEMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000180666972 199193385 /nfs/dbraw/zinc/19/33/85/199193385.db2.gz UQHGTDSNRPDFIX-PKOBYXMFSA-N 1 1 321.424 3.422 10 0 DGAEMO CC(C)(C[N@@H+]1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000180007706 432076458 /nfs/dbraw/zinc/07/64/58/432076458.db2.gz DETRDKAJXDDVHW-HNNXBMFYSA-N 1 1 302.443 3.494 10 0 DGAEMO CC(C)(C[N@H+]1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000180007706 432076459 /nfs/dbraw/zinc/07/64/59/432076459.db2.gz DETRDKAJXDDVHW-HNNXBMFYSA-N 1 1 302.443 3.494 10 0 DGAEMO c1nnc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)n1C1CC1 ZINC000180878181 199222846 /nfs/dbraw/zinc/22/28/46/199222846.db2.gz HJEZERUEUDFYIB-SFHVURJKSA-N 1 1 322.456 3.481 10 0 DGAEMO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000170688351 432077248 /nfs/dbraw/zinc/07/72/48/432077248.db2.gz YRTVUDAKIWAXSJ-KRWDZBQOSA-N 1 1 324.424 3.403 10 0 DGAEMO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000170688351 432077250 /nfs/dbraw/zinc/07/72/50/432077250.db2.gz YRTVUDAKIWAXSJ-KRWDZBQOSA-N 1 1 324.424 3.403 10 0 DGAEMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180103224 432077890 /nfs/dbraw/zinc/07/78/90/432077890.db2.gz JEWCBSPJAUQOLB-KDOFPFPSSA-N 1 1 321.896 3.017 10 0 DGAEMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1O ZINC000180093663 432078265 /nfs/dbraw/zinc/07/82/65/432078265.db2.gz VTRDTDPEOXQGDU-HOCLYGCPSA-N 1 1 317.385 3.082 10 0 DGAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cn(C)nc3C(C)(C)C)C2)c1 ZINC000180140920 432079057 /nfs/dbraw/zinc/07/90/57/432079057.db2.gz SJMWQUFUDSGIRE-INIZCTEOSA-N 1 1 315.465 3.060 10 0 DGAEMO CSCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000180136243 432079433 /nfs/dbraw/zinc/07/94/33/432079433.db2.gz KRVXECPACBYXEJ-WBVHZDCISA-N 1 1 306.475 3.081 10 0 DGAEMO O=C(Cc1ccccc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000170760271 432079792 /nfs/dbraw/zinc/07/97/92/432079792.db2.gz JKFIQRCTDPQZID-GOSISDBHSA-N 1 1 306.409 3.240 10 0 DGAEMO CC[C@@H](C)[C@H](C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000180201291 432081115 /nfs/dbraw/zinc/08/11/15/432081115.db2.gz HULDJXVGBCFABK-HIFRSBDPSA-N 1 1 303.450 3.157 10 0 DGAEMO C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000180200642 432081214 /nfs/dbraw/zinc/08/12/14/432081214.db2.gz 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CCOCCN1CC[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000248394380 432285006 /nfs/dbraw/zinc/28/50/06/432285006.db2.gz NFTFQBOQSPJIAG-CQSZACIVSA-N 1 1 312.404 3.167 10 0 DGAEMO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000248396276 432285087 /nfs/dbraw/zinc/28/50/87/432285087.db2.gz KBXQVIFBEATCBL-JQFCIGGWSA-N 1 1 306.425 3.260 10 0 DGAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248455965 432295025 /nfs/dbraw/zinc/29/50/25/432295025.db2.gz MXDJSJARPCJBPH-SNRMKQJTSA-N 1 1 308.425 3.352 10 0 DGAEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCCSCC(C)C)C1 ZINC000152057097 432300763 /nfs/dbraw/zinc/30/07/63/432300763.db2.gz APAQZNJNITXQJY-HNNXBMFYSA-N 1 1 310.511 3.257 10 0 DGAEMO c1ncn(C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)n1 ZINC000128479182 431994617 /nfs/dbraw/zinc/99/46/17/431994617.db2.gz ICHQHKOOBFFVBL-CQSZACIVSA-N 1 1 312.442 3.405 10 0 DGAEMO CCCCNC(=O)C[NH2+][C@H](C)c1ccccc1Br ZINC000102683943 431996730 /nfs/dbraw/zinc/99/67/30/431996730.db2.gz 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/nfs/dbraw/zinc/34/47/25/432344725.db2.gz MDCGATMMEWASFH-NVXWUHKLSA-N 1 1 318.804 3.037 10 0 DGAEMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@H]1c1ccc(Cl)cc1 ZINC000249295472 432344726 /nfs/dbraw/zinc/34/47/26/432344726.db2.gz MDCGATMMEWASFH-NVXWUHKLSA-N 1 1 318.804 3.037 10 0 DGAEMO COC(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)OC ZINC000249300377 432344758 /nfs/dbraw/zinc/34/47/58/432344758.db2.gz CBLUSKKTBSCTOM-UONOGXRCSA-N 1 1 313.463 3.035 10 0 DGAEMO COc1ccc(C)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174410033 432345028 /nfs/dbraw/zinc/34/50/28/432345028.db2.gz PBFHIYHUFOXPOZ-GOOCMWNKSA-N 1 1 317.433 3.140 10 0 DGAEMO CC[C@@](C)(O)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000249416747 432347179 /nfs/dbraw/zinc/34/71/79/432347179.db2.gz WIDMZBOFGNMXPA-HUUCEWRRSA-N 1 1 317.351 3.240 10 0 DGAEMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174457007 432348373 /nfs/dbraw/zinc/34/83/73/432348373.db2.gz FUODCUMDNHGVCW-GOOCMWNKSA-N 1 1 317.433 3.222 10 0 DGAEMO CCCn1cc[nH+]c1CCCN(C)c1nnc(C(C)C)s1 ZINC000192236622 432349088 /nfs/dbraw/zinc/34/90/88/432349088.db2.gz KTURQZAMOLXMCH-UHFFFAOYSA-N 1 1 307.467 3.337 10 0 DGAEMO Cc1cccc(-c2noc(C[N@H+](C)[C@@]3(CO)CC[C@@H](C)C3)n2)c1 ZINC000249596747 432352937 /nfs/dbraw/zinc/35/29/37/432352937.db2.gz XAYNPOQRSHKUAU-KDOFPFPSSA-N 1 1 315.417 3.028 10 0 DGAEMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H]2Cc3ccccc3[C@@H]2O)o1 ZINC000248613952 432306296 /nfs/dbraw/zinc/30/62/96/432306296.db2.gz JKTCZRFTJKYEOH-LNLFQRSKSA-N 1 1 313.397 3.221 10 0 DGAEMO Cc1nc(C(F)(F)F)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000183602490 432307806 /nfs/dbraw/zinc/30/78/06/432307806.db2.gz MLEPLVDIVRPDRR-MWLCHTKSSA-N 1 1 321.412 3.385 10 0 DGAEMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)s1 ZINC000183616664 432309165 /nfs/dbraw/zinc/30/91/65/432309165.db2.gz WLCJKIJTKRBSEA-SNVBAGLBSA-N 1 1 308.369 3.206 10 0 DGAEMO CC(C)c1csc([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC000173946089 432310252 /nfs/dbraw/zinc/31/02/52/432310252.db2.gz 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432315716 /nfs/dbraw/zinc/31/57/16/432315716.db2.gz TXXWCIAHQXCXLI-WDEREUQCSA-N 1 1 320.380 3.471 10 0 DGAEMO CO[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3Cl)o2)CC[C@H]1C ZINC000251881831 432372013 /nfs/dbraw/zinc/37/20/13/432372013.db2.gz PTJTZCWFIYRWOR-BXUZGUMPSA-N 1 1 321.808 3.247 10 0 DGAEMO CO[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)CC[C@H]1C ZINC000251881831 432372016 /nfs/dbraw/zinc/37/20/16/432372016.db2.gz PTJTZCWFIYRWOR-BXUZGUMPSA-N 1 1 321.808 3.247 10 0 DGAEMO Cc1ccn(C)c1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000251936431 432373358 /nfs/dbraw/zinc/37/33/58/432373358.db2.gz UHITUGLMAACABU-IAGOWNOFSA-N 1 1 317.477 3.060 10 0 DGAEMO CO[C@@H]1C[N@H+](Cc2coc(-c3c(F)cccc3F)n2)CC[C@@H]1C ZINC000251983319 432374037 /nfs/dbraw/zinc/37/40/37/432374037.db2.gz VNDGTLZZTSLOEZ-XHDPSFHLSA-N 1 1 322.355 3.477 10 0 DGAEMO CO[C@@H]1C[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)CC[C@@H]1C ZINC000251983319 432374038 /nfs/dbraw/zinc/37/40/38/432374038.db2.gz VNDGTLZZTSLOEZ-XHDPSFHLSA-N 1 1 322.355 3.477 10 0 DGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000174996216 432387418 /nfs/dbraw/zinc/38/74/18/432387418.db2.gz SZBLCXNBQLZFBB-QZTJIDSGSA-N 1 1 314.473 3.440 10 0 DGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)Cc1ccccc1F ZINC000174999247 432389246 /nfs/dbraw/zinc/38/92/46/432389246.db2.gz UBNFWLQNIPOAKT-USXIJHARSA-N 1 1 318.436 3.090 10 0 DGAEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000253355664 432390970 /nfs/dbraw/zinc/39/09/70/432390970.db2.gz GFFWPMBJYRGIMR-XOIINTDNSA-N 1 1 319.445 3.376 10 0 DGAEMO C[N@@H+](CCNC(=O)Nc1ccccc1)Cc1ccc(F)cc1 ZINC000175050340 432393102 /nfs/dbraw/zinc/39/31/02/432393102.db2.gz GFGMMVOZVSNLGI-UHFFFAOYSA-N 1 1 301.365 3.079 10 0 DGAEMO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cocn1 ZINC000192295132 432355924 /nfs/dbraw/zinc/35/59/24/432355924.db2.gz CSULBSFWCCWOBN-JTQLQIEISA-N 1 1 300.280 3.251 10 0 DGAEMO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152839628 432361188 /nfs/dbraw/zinc/36/11/88/432361188.db2.gz 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HEHQWCPNUSYQNG-GXTWGEPZSA-N 1 1 302.443 3.360 10 0 DGAEMO CC[C@H]1CCCCCN1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000150769891 432190536 /nfs/dbraw/zinc/19/05/36/432190536.db2.gz ZTSRLBQBBNIENK-IRXDYDNUSA-N 1 1 309.498 3.329 10 0 DGAEMO CCn1cc([C@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)cn1 ZINC000190791514 432190923 /nfs/dbraw/zinc/19/09/23/432190923.db2.gz LIKJLHDIPPEFKG-RTBURBONSA-N 1 1 311.429 3.354 10 0 DGAEMO COc1ccc([C@@H]2C[C@@H](C)[N@H+]([C@H](C)c3nnc(C)o3)C2)cc1 ZINC000247084327 432200197 /nfs/dbraw/zinc/20/01/97/432200197.db2.gz NNSFQTKPRMZQGT-LALPHHSUSA-N 1 1 301.390 3.326 10 0 DGAEMO Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247082797 432199891 /nfs/dbraw/zinc/19/98/91/432199891.db2.gz XBZRIQQOIGUJTI-DZGCQCFKSA-N 1 1 313.445 3.074 10 0 DGAEMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)COCc1ccccc1OC ZINC000247030016 432193483 /nfs/dbraw/zinc/19/34/83/432193483.db2.gz VMEUFTPHZNSPRC-QZTJIDSGSA-N 1 1 321.461 3.227 10 0 DGAEMO CCC[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000247033969 432194415 /nfs/dbraw/zinc/19/44/15/432194415.db2.gz GLABCSKGUQHGSI-NJAFHUGGSA-N 1 1 315.461 3.406 10 0 DGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1ccccc1Cl ZINC000247028756 432194696 /nfs/dbraw/zinc/19/46/96/432194696.db2.gz TYNBNKMRCIZDRB-HOTGVXAUSA-N 1 1 320.864 3.358 10 0 DGAEMO C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cn(-c2ccccc2)nn1 ZINC000150896386 432200649 /nfs/dbraw/zinc/20/06/49/432200649.db2.gz JEXCBOBYLHCQAC-AWEZNQCLSA-N 1 1 319.412 3.386 10 0 DGAEMO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)o2)sc1C ZINC000182575042 432206954 /nfs/dbraw/zinc/20/69/54/432206954.db2.gz FVMGNHUGZRLUSE-JTQLQIEISA-N 1 1 307.419 3.205 10 0 DGAEMO Cc1cc(C)n(-c2ccc(CN3CCC[N@H+](C4CC4)CC3)cc2)n1 ZINC000172346604 432209143 /nfs/dbraw/zinc/20/91/43/432209143.db2.gz PQIFLRJRKWLXAC-UHFFFAOYSA-N 1 1 324.472 3.159 10 0 DGAEMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCN(C4CC4)CC3)cc2)n1 ZINC000172346604 432209145 /nfs/dbraw/zinc/20/91/45/432209145.db2.gz PQIFLRJRKWLXAC-UHFFFAOYSA-N 1 1 324.472 3.159 10 0 DGAEMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCCN(C4CC4)CC3)cc2)n1 ZINC000172346604 432209150 /nfs/dbraw/zinc/20/91/50/432209150.db2.gz PQIFLRJRKWLXAC-UHFFFAOYSA-N 1 1 324.472 3.159 10 0 DGAEMO CCc1nnc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1C ZINC000182625232 432211501 /nfs/dbraw/zinc/21/15/01/432211501.db2.gz MENRRBRVTGISCL-CYBMUJFWSA-N 1 1 302.422 3.016 10 0 DGAEMO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247215560 432211610 /nfs/dbraw/zinc/21/16/10/432211610.db2.gz QBUBPGBIEATIBT-OLZOCXBDSA-N 1 1 320.387 3.272 10 0 DGAEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(OC(C)C)c3)[C@@H]2C1 ZINC000247225405 432212491 /nfs/dbraw/zinc/21/24/91/432212491.db2.gz ZECSSDVNUJVOPC-BHIYHBOVSA-N 1 1 319.445 3.242 10 0 DGAEMO CCN1CC[C@@H]([NH2+]C2CCN(c3cccs3)CC2)[C@@H](C)C1 ZINC000247222298 432213086 /nfs/dbraw/zinc/21/30/86/432213086.db2.gz WKEBHIULTPJWET-GOEBONIOSA-N 1 1 307.507 3.037 10 0 DGAEMO Cc1cc(C)cc([C@H](C)NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247234016 432213885 /nfs/dbraw/zinc/21/38/85/432213885.db2.gz MTTCVGOOEIEPLQ-SOLBZPMBSA-N 1 1 315.461 3.243 10 0 DGAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCN3CCCCC3)C2)cc1 ZINC000151042632 432214116 /nfs/dbraw/zinc/21/41/16/432214116.db2.gz LTUPFTRSJDCGFG-SJLPKXTDSA-N 1 1 302.462 3.359 10 0 DGAEMO COc1ccc([C@@H]2C[C@@H](C)N(CC[NH+]3CCCCC3)C2)cc1 ZINC000151042632 432214118 /nfs/dbraw/zinc/21/41/18/432214118.db2.gz LTUPFTRSJDCGFG-SJLPKXTDSA-N 1 1 302.462 3.359 10 0 DGAEMO CCc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247238840 432214343 /nfs/dbraw/zinc/21/43/43/432214343.db2.gz DFXXZOCGYSOJGU-MAUKXSAKSA-N 1 1 302.462 3.123 10 0 DGAEMO CC[N@H+]1CC[C@H]([NH+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237982 432214379 /nfs/dbraw/zinc/21/43/79/432214379.db2.gz SPQBKGSYYNJRGQ-ICSRJNTNSA-N 1 1 318.505 3.298 10 0 DGAEMO CCN1CC[C@H]([N@H+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237982 432214388 /nfs/dbraw/zinc/21/43/88/432214388.db2.gz SPQBKGSYYNJRGQ-ICSRJNTNSA-N 1 1 318.505 3.298 10 0 DGAEMO CCN1CC[C@H]([N@@H+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237982 432214392 /nfs/dbraw/zinc/21/43/92/432214392.db2.gz SPQBKGSYYNJRGQ-ICSRJNTNSA-N 1 1 318.505 3.298 10 0 DGAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)no1 ZINC000182744666 432224686 /nfs/dbraw/zinc/22/46/86/432224686.db2.gz JXAXZDMGPJNIPW-INIZCTEOSA-N 1 1 317.408 3.404 10 0 DGAEMO Cc1oc(-c2cccs2)nc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191143344 432225155 /nfs/dbraw/zinc/22/51/55/432225155.db2.gz HODHSZHVKSSQSW-QWRGUYRKSA-N 1 1 306.431 3.445 10 0 DGAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000151193767 432227809 /nfs/dbraw/zinc/22/78/09/432227809.db2.gz NHHMVQFTQPYYHN-BXUZGUMPSA-N 1 1 320.824 3.264 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000247253941 432216208 /nfs/dbraw/zinc/21/62/08/432216208.db2.gz DTRMAVVJLXDMSI-XJKSGUPXSA-N 1 1 324.415 3.086 10 0 DGAEMO CCC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247266532 432216769 /nfs/dbraw/zinc/21/67/69/432216769.db2.gz QVCYPOGYWFYHSA-JZXOWHBKSA-N 1 1 317.477 3.235 10 0 DGAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000247275027 432218664 /nfs/dbraw/zinc/21/86/64/432218664.db2.gz FQNOIVPDWFLVNM-GXTWGEPZSA-N 1 1 306.475 3.039 10 0 DGAEMO CCc1ccc(CCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247324838 432222130 /nfs/dbraw/zinc/22/21/30/432222130.db2.gz MQFUUJQHLMKWSM-QAPCUYQASA-N 1 1 302.462 3.027 10 0 DGAEMO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000247336897 432222646 /nfs/dbraw/zinc/22/26/46/432222646.db2.gz ZLJZZSHTNUKLLQ-DZGCQCFKSA-N 1 1 308.491 3.320 10 0 DGAEMO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000247344881 432223321 /nfs/dbraw/zinc/22/33/21/432223321.db2.gz JIVFLQVKSZCWHJ-JSGCOSHPSA-N 1 1 317.408 3.170 10 0 DGAEMO COc1ccc(OC)c([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131831508 196202887 /nfs/dbraw/zinc/20/28/87/196202887.db2.gz CTEQPQIOQRXBPI-HNSVSWJLSA-N 1 1 318.461 3.370 10 0 DGAEMO COc1ccc(OC)c([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000131831508 196202888 /nfs/dbraw/zinc/20/28/88/196202888.db2.gz CTEQPQIOQRXBPI-HNSVSWJLSA-N 1 1 318.461 3.370 10 0 DGAEMO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000131974931 196215661 /nfs/dbraw/zinc/21/56/61/196215661.db2.gz QIQDERZQRORMRO-OAHLLOKOSA-N 1 1 304.463 3.412 10 0 DGAEMO CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000131974931 196215663 /nfs/dbraw/zinc/21/56/63/196215663.db2.gz QIQDERZQRORMRO-OAHLLOKOSA-N 1 1 304.463 3.412 10 0 DGAEMO CC[N@@H+](C[C@H](C)Cc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000132355731 196248865 /nfs/dbraw/zinc/24/88/65/196248865.db2.gz RPPABPXJALIWJE-CVEARBPZSA-N 1 1 311.491 3.010 10 0 DGAEMO Cc1cc(C(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1C1CC1 ZINC000133201947 196320733 /nfs/dbraw/zinc/32/07/33/196320733.db2.gz RUBBGFJOYRFMDR-CXAGYDPISA-N 1 1 317.477 3.037 10 0 DGAEMO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136175226 196525696 /nfs/dbraw/zinc/52/56/96/196525696.db2.gz OXZNMHOKLOLAIH-LZLYRXPVSA-N 1 1 315.461 3.182 10 0 DGAEMO CC(=O)c1cccc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000291425063 222381059 /nfs/dbraw/zinc/38/10/59/222381059.db2.gz ZHSOLPPGTTXNPO-GOSISDBHSA-N 1 1 321.392 3.145 10 0 DGAEMO CC(=O)c1cccc(COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000291425063 222381062 /nfs/dbraw/zinc/38/10/62/222381062.db2.gz ZHSOLPPGTTXNPO-GOSISDBHSA-N 1 1 321.392 3.145 10 0 DGAEMO c1ccc(C[N@H+]2CC[C@@H](N3CCC=C(c4cccnc4)C3)C2)cc1 ZINC000297792349 227575724 /nfs/dbraw/zinc/57/57/24/227575724.db2.gz WXDLAQXRXUYYSW-OAQYLSRUSA-N 1 1 319.452 3.445 10 0 DGAEMO Cc1nnc([C@H]2C[N@H+](CC3CCC(C(C)(C)C)CC3)CCO2)[nH]1 ZINC000174099222 228287020 /nfs/dbraw/zinc/28/70/20/228287020.db2.gz ODGMWPOOGJFZTF-UYSNPLJNSA-N 1 1 320.481 3.339 10 0 DGAEMO Cc1nnc([C@H]2C[N@@H+](CC3CCC(C(C)(C)C)CC3)CCO2)[nH]1 ZINC000174099222 228287023 /nfs/dbraw/zinc/28/70/23/228287023.db2.gz ODGMWPOOGJFZTF-UYSNPLJNSA-N 1 1 320.481 3.339 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(Cl)c2F)CC[N@H+]1C ZINC000174572562 228291338 /nfs/dbraw/zinc/29/13/38/228291338.db2.gz VQMDTYREKLAKRT-QWRGUYRKSA-N 1 1 313.804 3.426 10 0 DGAEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1ccccc1 ZINC000151199756 432228700 /nfs/dbraw/zinc/22/87/00/432228700.db2.gz PNURRDOUWACPCA-LSDHHAIUSA-N 1 1 300.406 3.000 10 0 DGAEMO c1cc2cc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)ccc2o1 ZINC000348175831 264357668 /nfs/dbraw/zinc/35/76/68/264357668.db2.gz RXZFLBDXKSPKAN-UHFFFAOYSA-N 1 1 322.412 3.356 10 0 DGAEMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1ccc(F)cc1 ZINC000151201864 432228917 /nfs/dbraw/zinc/22/89/17/432228917.db2.gz NPNNVBGWDLCPIP-HUUCEWRRSA-N 1 1 318.396 3.139 10 0 DGAEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247411217 432228848 /nfs/dbraw/zinc/22/88/48/432228848.db2.gz NGUGLRLKAHCCCC-COXVUDFISA-N 1 1 303.450 3.160 10 0 DGAEMO CCOCC[N@@H+](CC)Cc1ccc(Br)c(F)c1 ZINC000352840480 265193703 /nfs/dbraw/zinc/19/37/03/265193703.db2.gz 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316.489 3.443 10 0 DGAEMO CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)C ZINC000373054270 433081865 /nfs/dbraw/zinc/08/18/65/433081865.db2.gz HPBMZYXTFYRAAQ-HAGHYFMRSA-N 1 1 316.489 3.443 10 0 DGAEMO O=C(C[N@H+]1CCCC12CCC2)Nc1ccccc1OC(F)F ZINC000373105030 433091080 /nfs/dbraw/zinc/09/10/80/433091080.db2.gz UDELMEOFNPADGA-UHFFFAOYSA-N 1 1 310.344 3.245 10 0 DGAEMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000373094049 433092366 /nfs/dbraw/zinc/09/23/66/433092366.db2.gz DVESXSKMIXLAEV-UHFFFAOYSA-N 1 1 308.809 3.306 10 0 DGAEMO COCC1(c2noc([C@H](C)[NH+]3CCCCCC3)n2)CCCC1 ZINC000333718597 433096260 /nfs/dbraw/zinc/09/62/60/433096260.db2.gz RBDOVSXNVJEGDZ-AWEZNQCLSA-N 1 1 307.438 3.465 10 0 DGAEMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368869 433125644 /nfs/dbraw/zinc/12/56/44/433125644.db2.gz MSFVDWLQOADVFS-IJXRJRJASA-N 1 1 316.489 3.038 10 0 DGAEMO c1cn2c([nH+]1)C[C@@H](c1nc([C@@H]3C[C@H]3c3ccccc3)no1)CC2 ZINC000350318972 433133188 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/nfs/dbraw/zinc/52/02/98/433520298.db2.gz AVLQWSYPMDTWGV-SJORKVTESA-N 1 1 311.429 3.325 10 0 DGAEMO CC(=O)c1c(C)cc(C)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000292169440 433489712 /nfs/dbraw/zinc/48/97/12/433489712.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 1 1 314.473 3.342 10 0 DGAEMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1C ZINC000292169440 433489720 /nfs/dbraw/zinc/48/97/20/433489720.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 1 1 314.473 3.342 10 0 DGAEMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1C ZINC000292169440 433489728 /nfs/dbraw/zinc/48/97/28/433489728.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 1 1 314.473 3.342 10 0 DGAEMO Cc1cccc(NC2CCN(c3ncnc4ccccc43)CC2)[nH+]1 ZINC000301310050 433502273 /nfs/dbraw/zinc/50/22/73/433502273.db2.gz YQOVWFYYUSKHPK-UHFFFAOYSA-N 1 1 319.412 3.414 10 0 DGAEMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC000455731448 433553258 /nfs/dbraw/zinc/55/32/58/433553258.db2.gz JSAIRRGKHOAUSJ-ZDUSSCGKSA-N 1 1 309.841 3.420 10 0 DGAEMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC000455731447 433553766 /nfs/dbraw/zinc/55/37/66/433553766.db2.gz JSAIRRGKHOAUSJ-CYBMUJFWSA-N 1 1 309.841 3.420 10 0 DGAEMO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCOCC[C@@H]1C ZINC000362232192 433592293 /nfs/dbraw/zinc/59/22/93/433592293.db2.gz BASINIXGZIUFKM-ZDUSSCGKSA-N 1 1 317.385 3.220 10 0 DGAEMO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCOCC[C@@H]1C ZINC000362232192 433592299 /nfs/dbraw/zinc/59/22/99/433592299.db2.gz BASINIXGZIUFKM-ZDUSSCGKSA-N 1 1 317.385 3.220 10 0 DGAEMO c1[nH]nc2c1[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)CCC2 ZINC000375864118 433597855 /nfs/dbraw/zinc/59/78/55/433597855.db2.gz ZOJIZIGZEPCMRZ-INIZCTEOSA-N 1 1 312.417 3.293 10 0 DGAEMO O=C1[C@H](Nc2cc[nH+]cc2Cl)CCCN1c1ccccc1 ZINC000301572168 433617216 /nfs/dbraw/zinc/61/72/16/433617216.db2.gz LDNSUMWCFQHFOE-OAHLLOKOSA-N 1 1 301.777 3.343 10 0 DGAEMO CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1C ZINC000449011612 433657963 /nfs/dbraw/zinc/65/79/63/433657963.db2.gz RUXWRHKJIGLOQB-UHFFFAOYSA-N 1 1 317.454 3.421 10 0 DGAEMO CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1C ZINC000449011612 433657967 /nfs/dbraw/zinc/65/79/67/433657967.db2.gz RUXWRHKJIGLOQB-UHFFFAOYSA-N 1 1 317.454 3.421 10 0 DGAEMO Cc1nocc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000293212962 433660066 /nfs/dbraw/zinc/66/00/66/433660066.db2.gz JMPMGFZWKWSAHS-SFHVURJKSA-N 1 1 313.445 3.373 10 0 DGAEMO Cc1nocc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000293212962 433660073 /nfs/dbraw/zinc/66/00/73/433660073.db2.gz JMPMGFZWKWSAHS-SFHVURJKSA-N 1 1 313.445 3.373 10 0 DGAEMO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449026770 433678899 /nfs/dbraw/zinc/67/88/99/433678899.db2.gz GVZHESCWAFRBHU-WMLDXEAASA-N 1 1 309.475 3.491 10 0 DGAEMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449026770 433678910 /nfs/dbraw/zinc/67/89/10/433678910.db2.gz GVZHESCWAFRBHU-WMLDXEAASA-N 1 1 309.475 3.491 10 0 DGAEMO Cc1cccc2ncc(C[N@H+]3CCCC[C@@H]3c3ccnn3C)n21 ZINC000366957038 293008208 /nfs/dbraw/zinc/00/82/08/293008208.db2.gz YJORTZPOAFDMLL-QGZVFWFLSA-N 1 1 309.417 3.103 10 0 DGAEMO Cc1cccc2ncc(C[N@@H+]3CCCC[C@@H]3c3ccnn3C)n21 ZINC000366957038 293008209 /nfs/dbraw/zinc/00/82/09/293008209.db2.gz YJORTZPOAFDMLL-QGZVFWFLSA-N 1 1 309.417 3.103 10 0 DGAEMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1OC ZINC000366954741 293008272 /nfs/dbraw/zinc/00/82/72/293008272.db2.gz PSIGZCIBLOSWLI-MRXNPFEDSA-N 1 1 315.417 3.165 10 0 DGAEMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1OC ZINC000366954741 293008273 /nfs/dbraw/zinc/00/82/73/293008273.db2.gz PSIGZCIBLOSWLI-MRXNPFEDSA-N 1 1 315.417 3.165 10 0 DGAEMO Cc1ccnc(C2CC[NH+](Cc3cccc(F)c3F)CC2)n1 ZINC000370373267 293171666 /nfs/dbraw/zinc/17/16/66/293171666.db2.gz CNAPWQVCEAJQJX-UHFFFAOYSA-N 1 1 303.356 3.443 10 0 DGAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376285986 433707454 /nfs/dbraw/zinc/70/74/54/433707454.db2.gz QCYMSZYQFJDODU-FUMNGEBKSA-N 1 1 314.473 3.029 10 0 DGAEMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NCC2CCC2)o1 ZINC000362429012 433708164 /nfs/dbraw/zinc/70/81/64/433708164.db2.gz DYHJUKXRKOSLIA-CJNGLKHVSA-N 1 1 304.434 3.277 10 0 DGAEMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NCC2CCC2)o1 ZINC000362429012 433708177 /nfs/dbraw/zinc/70/81/77/433708177.db2.gz DYHJUKXRKOSLIA-CJNGLKHVSA-N 1 1 304.434 3.277 10 0 DGAEMO c1onc(Cc2ccccc2)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000351757509 433708755 /nfs/dbraw/zinc/70/87/55/433708755.db2.gz NSGGDZVDQFHNFE-QFBILLFUSA-N 1 1 312.413 3.266 10 0 DGAEMO c1cc(-c2nc(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)cs2)co1 ZINC000362454364 433727260 /nfs/dbraw/zinc/72/72/60/433727260.db2.gz PYUPZOCLQJPDHE-DOMZBBRYSA-N 1 1 304.415 3.404 10 0 DGAEMO c1cc(-c2nc(C[N@H+]3CCC[C@@H]4COCC[C@H]43)cs2)co1 ZINC000362454367 433729171 /nfs/dbraw/zinc/72/91/71/433729171.db2.gz PYUPZOCLQJPDHE-IUODEOHRSA-N 1 1 304.415 3.404 10 0 DGAEMO CCCCc1noc([C@@H](C)[NH+]2CCC([C@H]3CCOC3)CC2)n1 ZINC000374620787 293425500 /nfs/dbraw/zinc/42/55/00/293425500.db2.gz 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/nfs/dbraw/zinc/77/53/20/433775320.db2.gz LUBPNMUYZRPFLT-UHFFFAOYSA-N 1 1 307.401 3.347 10 0 DGAEMO c1ccc(COc2ccnc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2)cc1 ZINC000301891257 433778434 /nfs/dbraw/zinc/77/84/34/433778434.db2.gz UTVSDSMQOVLEOQ-IRXDYDNUSA-N 1 1 324.428 3.094 10 0 DGAEMO CCCCc1noc([C@H](C)[NH+]2CCC3(CCOCC3)CC2)n1 ZINC000375279421 293506192 /nfs/dbraw/zinc/50/61/92/293506192.db2.gz NQGJZMKTWCBRKI-AWEZNQCLSA-N 1 1 307.438 3.366 10 0 DGAEMO O=C1[C@H](Nc2[nH]c3ccccc3[nH+]2)CCCN1c1ccccc1 ZINC000301892742 433780161 /nfs/dbraw/zinc/78/01/61/433780161.db2.gz SDXKYVDJSFXUOP-MRXNPFEDSA-N 1 1 306.369 3.170 10 0 DGAEMO CC(C)c1ccc[nH+]c1NCc1c(Br)cnn1C ZINC000362635038 433799483 /nfs/dbraw/zinc/79/94/83/433799483.db2.gz RIWHVBSNJKPTQY-UHFFFAOYSA-N 1 1 309.211 3.313 10 0 DGAEMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cc(F)ccc1SC ZINC000362654168 433807360 /nfs/dbraw/zinc/80/73/60/433807360.db2.gz SOMFCVQBACHOAO-CQSZACIVSA-N 1 1 310.438 3.038 10 0 DGAEMO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000357043437 433841785 /nfs/dbraw/zinc/84/17/85/433841785.db2.gz GCPQBKLQUMLHFB-YPMHNXCESA-N 1 1 307.463 3.081 10 0 DGAEMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000357043437 433841793 /nfs/dbraw/zinc/84/17/93/433841793.db2.gz GCPQBKLQUMLHFB-YPMHNXCESA-N 1 1 307.463 3.081 10 0 DGAEMO FC(F)(F)c1cnc(NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000302751149 433852210 /nfs/dbraw/zinc/85/22/10/433852210.db2.gz HEPOCRYZIWGEIG-UHFFFAOYSA-N 1 1 316.352 3.349 10 0 DGAEMO CC[N@@H+](C)[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000302770267 433858768 /nfs/dbraw/zinc/85/87/68/433858768.db2.gz MQYDNBRBOCNIHA-JTQLQIEISA-N 1 1 307.747 3.284 10 0 DGAEMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccsn2)[C@H]1c1cccs1 ZINC000449936532 433879211 /nfs/dbraw/zinc/87/92/11/433879211.db2.gz WLGQTMOATLMRLS-FZMZJTMJSA-N 1 1 321.471 3.018 10 0 DGAEMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](C)O ZINC000303983261 433975568 /nfs/dbraw/zinc/97/55/68/433975568.db2.gz GYVPRKGPGVQQHJ-SNVBAGLBSA-N 1 1 319.232 3.023 10 0 DGAEMO 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DGAEMO CCC[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc(C(F)(F)F)c1 ZINC000608055259 435349427 /nfs/dbraw/zinc/34/94/27/435349427.db2.gz PRJSDBVTLPGOLX-CQSZACIVSA-N 1 1 312.339 3.465 10 0 DGAEMO CCCCC/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000535804823 435353622 /nfs/dbraw/zinc/35/36/22/435353622.db2.gz WXDCUNBOQVHNBK-VJSYINPZSA-N 1 1 315.461 3.393 10 0 DGAEMO CC(C)[C@@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000567773070 435354440 /nfs/dbraw/zinc/35/44/40/435354440.db2.gz AQZBVILJUYRWCW-YSTOQKLRSA-N 1 1 316.489 3.036 10 0 DGAEMO c1cc(CCC[N@H+]2CCC[C@H]3COCC[C@H]32)cc2c1OCC2 ZINC000482165809 435454608 /nfs/dbraw/zinc/45/46/08/435454608.db2.gz BZSVEJCYHBBZKC-ZWKOTPCHSA-N 1 1 301.430 3.055 10 0 DGAEMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000482285721 435460624 /nfs/dbraw/zinc/46/06/24/435460624.db2.gz KPKDMFBTZREXDW-RYUDHWBXSA-N 1 1 308.388 3.344 10 0 DGAEMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000482285721 435460631 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CCc1nnc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1C ZINC000170920574 432087749 /nfs/dbraw/zinc/08/77/49/432087749.db2.gz BIYJULUZPKREPO-QGZVFWFLSA-N 1 1 302.397 3.148 10 0 DGAEMO CO[C@H]1C[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)CC[C@@H]1C ZINC000189364321 200388072 /nfs/dbraw/zinc/38/80/72/200388072.db2.gz PTAIAIIXXAIMIP-BBRMVZONSA-N 1 1 322.474 3.317 10 0 DGAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189375731 200390539 /nfs/dbraw/zinc/39/05/39/200390539.db2.gz UTMWPRVOHGDOPF-QGZVFWFLSA-N 1 1 307.401 3.068 10 0 DGAEMO CO[C@H]1C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1C ZINC000189321887 200381279 /nfs/dbraw/zinc/38/12/79/200381279.db2.gz VCRVXHRCPLITHD-FZMZJTMJSA-N 1 1 321.808 3.247 10 0 DGAEMO CO[C@H]1C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1C ZINC000189321887 200381280 /nfs/dbraw/zinc/38/12/80/200381280.db2.gz VCRVXHRCPLITHD-FZMZJTMJSA-N 1 1 321.808 3.247 10 0 DGAEMO O=C(C[C@H]1CCCc2ccccc21)N1CCC[N@H+](C2CC2)CC1 ZINC000170979882 432090755 /nfs/dbraw/zinc/09/07/55/432090755.db2.gz 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432172991 /nfs/dbraw/zinc/17/29/91/432172991.db2.gz DZXMMMCDSLUFAE-ZCPGHIKRSA-N 1 1 320.864 3.288 10 0 DGAEMO CC(C)c1nc(C2([NH2+]C[C@@H](O)CC3CCCC3)CCCC2)no1 ZINC000190607624 432174313 /nfs/dbraw/zinc/17/43/13/432174313.db2.gz DDXMKKLTQPNABC-HNNXBMFYSA-N 1 1 321.465 3.493 10 0 DGAEMO CC[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246860143 432174543 /nfs/dbraw/zinc/17/45/43/432174543.db2.gz DEIIBQORQVQEOT-DQIHPLBOSA-N 1 1 307.482 3.270 10 0 DGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc2ccc(C)nc21 ZINC000246878839 432176335 /nfs/dbraw/zinc/17/63/35/432176335.db2.gz FREAHXWDYWDIAM-SJORKVTESA-N 1 1 323.440 3.242 10 0 DGAEMO Cc1ccc(N2CCC[N@H+](C[C@H](C)c3ccccc3)CC2)nn1 ZINC000246964296 432185125 /nfs/dbraw/zinc/18/51/25/432185125.db2.gz DOWJGVBZSNRALK-INIZCTEOSA-N 1 1 310.445 3.101 10 0 DGAEMO CC[C@@H]1CCCCC[N@H+]1CC(=O)NCc1ccccc1COC ZINC000150740649 432188651 /nfs/dbraw/zinc/18/86/51/432188651.db2.gz XTADOOVXZJTGJN-GOSISDBHSA-N 1 1 318.461 3.104 10 0 DGAEMO CCn1cc([C@@H]2C[N@H+](CCCc3ccc(C)cc3)CCO2)cn1 ZINC000190785974 432188751 /nfs/dbraw/zinc/18/87/51/432188751.db2.gz MCRZBGXJADGJMB-IBGZPJMESA-N 1 1 313.445 3.218 10 0 DGAEMO CCn1cc([C@@H]2C[N@@H+](CCCc3ccc(C)cc3)CCO2)cn1 ZINC000190785974 432188753 /nfs/dbraw/zinc/18/87/53/432188753.db2.gz MCRZBGXJADGJMB-IBGZPJMESA-N 1 1 313.445 3.218 10 0 DGAEMO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171897952 432182559 /nfs/dbraw/zinc/18/25/59/432182559.db2.gz GDYRVQMWXKKDMV-CRAIPNDOSA-N 1 1 315.461 3.361 10 0 DGAEMO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000246935568 432182884 /nfs/dbraw/zinc/18/28/84/432182884.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 1 1 315.505 3.113 10 0 DGAEMO C[C@@H](CNC(=O)N1CCCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000171909159 432182931 /nfs/dbraw/zinc/18/29/31/432182931.db2.gz FKQCFRQNBNGLFC-HNNXBMFYSA-N 1 1 303.450 3.091 10 0 DGAEMO Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247056918 432199035 /nfs/dbraw/zinc/19/90/35/432199035.db2.gz WAMCDWQNBQXUBG-JSGCOSHPSA-N 1 1 323.868 3.001 10 0 DGAEMO C[NH+](C)[C@@H](CNC(=O)N1CCC(C(C)(C)C)CC1)c1ccco1 ZINC000172168783 432199372 /nfs/dbraw/zinc/19/93/72/432199372.db2.gz PAOWQGGJBHZBCG-HNNXBMFYSA-N 1 1 321.465 3.350 10 0 DGAEMO CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000247088779 432201969 /nfs/dbraw/zinc/20/19/69/432201969.db2.gz PRLXFVOQWQQFDZ-BBRMVZONSA-N 1 1 305.393 3.477 10 0 DGAEMO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000247092893 432202529 /nfs/dbraw/zinc/20/25/29/432202529.db2.gz OCSOHZDTHALDKS-SUXBSASXSA-N 1 1 320.502 3.090 10 0 DGAEMO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000247092893 432202531 /nfs/dbraw/zinc/20/25/31/432202531.db2.gz OCSOHZDTHALDKS-SUXBSASXSA-N 1 1 320.502 3.090 10 0 DGAEMO CCCn1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cn1 ZINC000131181797 196147317 /nfs/dbraw/zinc/14/73/17/196147317.db2.gz WFOJCSTZCHQYGJ-SFHVURJKSA-N 1 1 313.445 3.332 10 0 DGAEMO CSc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247153855 432207037 /nfs/dbraw/zinc/20/70/37/432207037.db2.gz UKXBHSNBWCSDGY-OLZOCXBDSA-N 1 1 305.447 3.109 10 0 DGAEMO CC1(C)C[N@@H+](C[C@@H](O)Cc2ccccc2)CC2(CCCC2)O1 ZINC000190969981 432207424 /nfs/dbraw/zinc/20/74/24/432207424.db2.gz JEFONTYUBBNBQF-KRWDZBQOSA-N 1 1 303.446 3.014 10 0 DGAEMO CC(C)c1csc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)n1 ZINC000172337437 432209790 /nfs/dbraw/zinc/20/97/90/432209790.db2.gz WLLDUQDTSHZGEK-ZDUSSCGKSA-N 1 1 310.467 3.070 10 0 DGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC000247235596 432213164 /nfs/dbraw/zinc/21/31/64/432213164.db2.gz DCYYHMGPXUTWFO-OWCLPIDISA-N 1 1 303.450 3.435 10 0 DGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1csc(C2CCCC2)n1 ZINC000247227797 432213509 /nfs/dbraw/zinc/21/35/09/432213509.db2.gz MOZNWMYNUAUTQI-BBRMVZONSA-N 1 1 305.491 3.469 10 0 DGAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCC2CCCC2)C1 ZINC000172445425 432214351 /nfs/dbraw/zinc/21/43/51/432214351.db2.gz DNXMAWWGALYAJI-INIZCTEOSA-N 1 1 318.465 3.372 10 0 DGAEMO C[C@H](SCc1ccccc1)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247130783 432204690 /nfs/dbraw/zinc/20/46/90/432204690.db2.gz JJISJWYARCXPBV-YQQAZPJKSA-N 1 1 318.486 3.003 10 0 DGAEMO CN(C(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1)c1ccccc1 ZINC000190952954 432204941 /nfs/dbraw/zinc/20/49/41/432204941.db2.gz NNSOAEHSYZWRLS-UHFFFAOYSA-N 1 1 316.445 3.073 10 0 DGAEMO CN(C(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1)c1ccccc1 ZINC000190952954 432204944 /nfs/dbraw/zinc/20/49/44/432204944.db2.gz NNSOAEHSYZWRLS-UHFFFAOYSA-N 1 1 316.445 3.073 10 0 DGAEMO CCc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172247595 432205817 /nfs/dbraw/zinc/20/58/17/432205817.db2.gz JVDIEGCMFORZRK-SFHVURJKSA-N 1 1 310.445 3.140 10 0 DGAEMO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247363615 432224857 /nfs/dbraw/zinc/22/48/57/432224857.db2.gz CJJIIZDPIRTVID-OFQRWUPVSA-N 1 1 323.506 3.475 10 0 DGAEMO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000247364246 432225390 /nfs/dbraw/zinc/22/53/90/432225390.db2.gz QXAVUIRZBSJLBI-CABCVRRESA-N 1 1 317.433 3.094 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247370952 432225909 /nfs/dbraw/zinc/22/59/09/432225909.db2.gz KTZHZQFGAZZBHJ-MPGHIAIKSA-N 1 1 320.452 3.193 10 0 DGAEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(Cl)c2)C1 ZINC000247377581 432226218 /nfs/dbraw/zinc/22/62/18/432226218.db2.gz SXRDIXSGTVIDII-ZIAGYGMSSA-N 1 1 323.868 3.384 10 0 DGAEMO C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000247374538 432226521 /nfs/dbraw/zinc/22/65/21/432226521.db2.gz FMXYUYCCWOUCSE-WBVHZDCISA-N 1 1 323.440 3.390 10 0 DGAEMO Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247402659 432226937 /nfs/dbraw/zinc/22/69/37/432226937.db2.gz XNTNBNUVKUKWLI-TZMCWYRMSA-N 1 1 307.825 3.349 10 0 DGAEMO CCC[N@H+](Cc1nnc(C)n1CC)[C@H]1C[C@H](OCC)C1(C)C ZINC000172669683 432227638 /nfs/dbraw/zinc/22/76/38/432227638.db2.gz PGINLMMRVBAFER-GJZGRUSLSA-N 1 1 308.470 3.022 10 0 DGAEMO CCC[N@@H+](Cc1nnc(C)n1CC)[C@H]1C[C@H](OCC)C1(C)C ZINC000172669683 432227646 /nfs/dbraw/zinc/22/76/46/432227646.db2.gz PGINLMMRVBAFER-GJZGRUSLSA-N 1 1 308.470 3.022 10 0 DGAEMO COc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000247277104 432218973 /nfs/dbraw/zinc/21/89/73/432218973.db2.gz WZEINBYSZHFYCQ-LSDHHAIUSA-N 1 1 318.442 3.240 10 0 DGAEMO C[C@H](NC(=O)NCC1(C)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182695441 432219207 /nfs/dbraw/zinc/21/92/07/432219207.db2.gz ZVQFNFRDBBVULI-GJZGRUSLSA-N 1 1 307.482 3.129 10 0 DGAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC000172541829 432219486 /nfs/dbraw/zinc/21/94/86/432219486.db2.gz RVUFNLMVYMGRHO-ROUUACIJSA-N 1 1 302.462 3.102 10 0 DGAEMO CC(=O)Nc1nc(C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)cs1 ZINC000151134641 432222114 /nfs/dbraw/zinc/22/21/14/432222114.db2.gz FOMMZRYNUOSLHQ-ZDUSSCGKSA-N 1 1 317.458 3.473 10 0 DGAEMO CC(=O)Nc1nc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)cs1 ZINC000151134641 432222119 /nfs/dbraw/zinc/22/21/19/432222119.db2.gz FOMMZRYNUOSLHQ-ZDUSSCGKSA-N 1 1 317.458 3.473 10 0 DGAEMO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(Cl)cc1F ZINC000151142484 432223394 /nfs/dbraw/zinc/22/33/94/432223394.db2.gz GWDZCISWMARMLS-QWRGUYRKSA-N 1 1 310.800 3.143 10 0 DGAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC(F)F)cc2)cn1 ZINC000131842511 196203457 /nfs/dbraw/zinc/20/34/57/196203457.db2.gz OGNDZLPLIXEKOH-MRXNPFEDSA-N 1 1 321.371 3.401 10 0 DGAEMO FC(F)(F)CN1CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000132228061 196237358 /nfs/dbraw/zinc/23/73/58/196237358.db2.gz FYMLBBLJXILATO-UHFFFAOYSA-N 1 1 323.362 3.305 10 0 DGAEMO FC(F)(F)CN1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC000132228061 196237360 /nfs/dbraw/zinc/23/73/60/196237360.db2.gz FYMLBBLJXILATO-UHFFFAOYSA-N 1 1 323.362 3.305 10 0 DGAEMO CCOC(=O)CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000132776936 196282145 /nfs/dbraw/zinc/28/21/45/196282145.db2.gz MAYONDPHQOYGHT-DOTOQJQBSA-N 1 1 305.418 3.182 10 0 DGAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000133058429 196308616 /nfs/dbraw/zinc/30/86/16/196308616.db2.gz BYAHSGQFHSSHBY-LPHOPBHVSA-N 1 1 312.461 3.066 10 0 DGAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000133058429 196308618 /nfs/dbraw/zinc/30/86/18/196308618.db2.gz BYAHSGQFHSSHBY-LPHOPBHVSA-N 1 1 312.461 3.066 10 0 DGAEMO C[C@H](NC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1Br ZINC000154547941 227100577 /nfs/dbraw/zinc/10/05/77/227100577.db2.gz KWDJHXJFUVJSBS-JQWIXIFHSA-N 1 1 315.230 3.333 10 0 DGAEMO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1Br ZINC000154547941 227100583 /nfs/dbraw/zinc/10/05/83/227100583.db2.gz KWDJHXJFUVJSBS-JQWIXIFHSA-N 1 1 315.230 3.333 10 0 DGAEMO CC(=O)c1cccc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000291425064 222382063 /nfs/dbraw/zinc/38/20/63/222382063.db2.gz ZHSOLPPGTTXNPO-SFHVURJKSA-N 1 1 321.392 3.145 10 0 DGAEMO CC(=O)c1cccc(COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000291425064 222382066 /nfs/dbraw/zinc/38/20/66/222382066.db2.gz ZHSOLPPGTTXNPO-SFHVURJKSA-N 1 1 321.392 3.145 10 0 DGAEMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000173575523 228282316 /nfs/dbraw/zinc/28/23/16/228282316.db2.gz SACMLLWTJOGCPI-GXSJLCMTSA-N 1 1 315.339 3.050 10 0 DGAEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC000176005127 228308267 /nfs/dbraw/zinc/30/82/67/228308267.db2.gz XCLHCRGRHHSWRK-HOCLYGCPSA-N 1 1 318.461 3.419 10 0 DGAEMO c1ccc(CN2CC[C@H]([N@H+]3CCOC[C@H](C4CCC4)C3)C2)cc1 ZINC000298149831 228383047 /nfs/dbraw/zinc/38/30/47/228383047.db2.gz RLNHDXXUHVSDBI-UXHICEINSA-N 1 1 314.473 3.009 10 0 DGAEMO c1ccc(C[N@@H+]2CC[C@H](N3CCOC[C@H](C4CCC4)C3)C2)cc1 ZINC000298149831 228383051 /nfs/dbraw/zinc/38/30/51/228383051.db2.gz RLNHDXXUHVSDBI-UXHICEINSA-N 1 1 314.473 3.009 10 0 DGAEMO c1ccc(C[N@H+]2CC[C@H](N3CCOC[C@H](C4CCC4)C3)C2)cc1 ZINC000298149831 228383053 /nfs/dbraw/zinc/38/30/53/228383053.db2.gz RLNHDXXUHVSDBI-UXHICEINSA-N 1 1 314.473 3.009 10 0 DGAEMO Cc1cncc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000302237722 230192600 /nfs/dbraw/zinc/19/26/00/230192600.db2.gz WJOSDVBYYYTONM-AYHJJNSGSA-N 1 1 308.429 3.393 10 0 DGAEMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCS[C@H](C)CC1 ZINC000192192516 263773550 /nfs/dbraw/zinc/77/35/50/263773550.db2.gz OHFFOTWCTWIUOE-CVEARBPZSA-N 1 1 323.502 3.377 10 0 DGAEMO COC(C)(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000346613311 264065394 /nfs/dbraw/zinc/06/53/94/264065394.db2.gz MFDODRNYTIMEOU-SJLPKXTDSA-N 1 1 304.478 3.302 10 0 DGAEMO c1nc2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277921 264189119 /nfs/dbraw/zinc/18/91/19/264189119.db2.gz CUAZTXMRPFTTEC-CQSZACIVSA-N 1 1 321.428 3.085 10 0 DGAEMO c1ccc(COC[C@@H]2CC[N@H+](CC[C@@H]3CCCCO3)C2)cc1 ZINC000347449683 264223312 /nfs/dbraw/zinc/22/33/12/264223312.db2.gz XNNLHKKQYSBNID-MOPGFXCFSA-N 1 1 303.446 3.484 10 0 DGAEMO Cc1c([C@@H](C)NCC[N@@H+]2CCCC[C@@H]2C)cnn1C(C)(C)C ZINC000191176410 432230361 /nfs/dbraw/zinc/23/03/61/432230361.db2.gz BMZWJCUHQQWHPH-LSDHHAIUSA-N 1 1 306.498 3.472 10 0 DGAEMO Cc1c([C@@H](C)NCC[N@H+]2CCCC[C@@H]2C)cnn1C(C)(C)C ZINC000191176410 432230365 /nfs/dbraw/zinc/23/03/65/432230365.db2.gz BMZWJCUHQQWHPH-LSDHHAIUSA-N 1 1 306.498 3.472 10 0 DGAEMO c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355225379 266006398 /nfs/dbraw/zinc/00/63/98/266006398.db2.gz RJZZIFUSCUDNFJ-IAGOWNOFSA-N 1 1 311.429 3.325 10 0 DGAEMO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355225379 266006403 /nfs/dbraw/zinc/00/64/03/266006403.db2.gz RJZZIFUSCUDNFJ-IAGOWNOFSA-N 1 1 311.429 3.325 10 0 DGAEMO c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355225379 266006407 /nfs/dbraw/zinc/00/64/07/266006407.db2.gz RJZZIFUSCUDNFJ-IAGOWNOFSA-N 1 1 311.429 3.325 10 0 DGAEMO c1c(C2CC2)nn2ccnc(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c12 ZINC000631338529 424834064 /nfs/dbraw/zinc/83/40/64/424834064.db2.gz LRVBIBPVHPYTMB-ZBFHGGJFSA-N 1 1 311.433 3.036 10 0 DGAEMO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355776124 266180768 /nfs/dbraw/zinc/18/07/68/266180768.db2.gz AZYNGEYENCMQKZ-LJQANCHMSA-N 1 1 317.429 3.161 10 0 DGAEMO C[C@H](C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247476624 432233279 /nfs/dbraw/zinc/23/32/79/432233279.db2.gz IIVMKHHMHNNZIL-DTYCBIMDSA-N 1 1 300.446 3.168 10 0 DGAEMO Cc1cc2ncn(C[C@H](O)C[N@H+]3C[C@@H](C)CC[C@@H]3C)c2cc1C ZINC000247474138 432234529 /nfs/dbraw/zinc/23/45/29/432234529.db2.gz JMWRFYFGEVNUHS-RRQGHBQHSA-N 1 1 315.461 3.134 10 0 DGAEMO C[C@H](CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1ccc(F)cc1F ZINC000151311006 432236346 /nfs/dbraw/zinc/23/63/46/432236346.db2.gz OONQLWPECKALPC-UMVBOHGHSA-N 1 1 322.399 3.154 10 0 DGAEMO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccccn1 ZINC000182852164 432236855 /nfs/dbraw/zinc/23/68/55/432236855.db2.gz JCMXQZXQXUFTAB-AWEZNQCLSA-N 1 1 311.429 3.496 10 0 DGAEMO C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000247503876 432235654 /nfs/dbraw/zinc/23/56/54/432235654.db2.gz XRXDXPOIDJKEQK-HJQPHTCJSA-N 1 1 307.482 3.126 10 0 DGAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000247515799 432237271 /nfs/dbraw/zinc/23/72/71/432237271.db2.gz MXKXNPCLUZUVSA-ZIAGYGMSSA-N 1 1 318.383 3.218 10 0 DGAEMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc2ccccc12 ZINC000247526444 432237346 /nfs/dbraw/zinc/23/73/46/432237346.db2.gz WVJFHKMCVNJZNM-LSDHHAIUSA-N 1 1 311.429 3.098 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC000247524520 432237223 /nfs/dbraw/zinc/23/72/23/432237223.db2.gz WRABJKXYFAPBHD-KXBFYZLASA-N 1 1 314.473 3.368 10 0 DGAEMO CC(C)c1noc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000247509827 432237653 /nfs/dbraw/zinc/23/76/53/432237653.db2.gz MKDDTVZPHSYJRU-HZPDHXFCSA-N 1 1 315.417 3.281 10 0 DGAEMO CC(C)c1noc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000247509827 432237658 /nfs/dbraw/zinc/23/76/58/432237658.db2.gz MKDDTVZPHSYJRU-HZPDHXFCSA-N 1 1 315.417 3.281 10 0 DGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1Cl ZINC000247523614 432238517 /nfs/dbraw/zinc/23/85/17/432238517.db2.gz WYGLPPCJKTXOAB-QWRGUYRKSA-N 1 1 313.228 3.302 10 0 DGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000247541424 432239852 /nfs/dbraw/zinc/23/98/52/432239852.db2.gz YLHFWPQVZZKQJL-VZEFYGNVSA-N 1 1 318.848 3.139 10 0 DGAEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(F)c(Br)c1 ZINC000191256716 432240938 /nfs/dbraw/zinc/24/09/38/432240938.db2.gz IZSPUSBOTIQLNW-NXEZZACHSA-N 1 1 316.214 3.322 10 0 DGAEMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1C(C)C ZINC000247552157 432241438 /nfs/dbraw/zinc/24/14/38/432241438.db2.gz YWEFQSBYLQYDGP-XJKSGUPXSA-N 1 1 305.466 3.241 10 0 DGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C2CC2)cs1 ZINC000247686620 432246582 /nfs/dbraw/zinc/24/65/82/432246582.db2.gz VDLNNXVLFGQBRM-STQMWFEESA-N 1 1 320.462 3.111 10 0 DGAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000247728351 432248174 /nfs/dbraw/zinc/24/81/74/432248174.db2.gz TZUVAWMEVMFJGL-KFWWJZLASA-N 1 1 322.399 3.059 10 0 DGAEMO Cc1nc(NCC2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000359837396 270997116 /nfs/dbraw/zinc/99/71/16/270997116.db2.gz NLFDUCKDDKDYEN-UHFFFAOYSA-N 1 1 310.445 3.152 10 0 DGAEMO C[C@H](CC[NH2+][C@H]1CCCc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000367601924 271048881 /nfs/dbraw/zinc/04/88/81/271048881.db2.gz QKJQMCHTWPWHCC-QAPCUYQASA-N 1 1 312.461 3.287 10 0 DGAEMO Cc1ncccc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368058313 271127431 /nfs/dbraw/zinc/12/74/31/271127431.db2.gz HKKCWHIQBTUOKM-YLJYHZDGSA-N 1 1 309.457 3.390 10 0 DGAEMO Cc1ncccc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368058313 271127435 /nfs/dbraw/zinc/12/74/35/271127435.db2.gz HKKCWHIQBTUOKM-YLJYHZDGSA-N 1 1 309.457 3.390 10 0 DGAEMO CC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000368531785 271164815 /nfs/dbraw/zinc/16/48/15/271164815.db2.gz WZMIZBRMWIDVBL-HLPPOEQASA-N 1 1 321.490 3.229 10 0 DGAEMO C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)C1=CC[N@@H+](C)CC1 ZINC000369998169 271332778 /nfs/dbraw/zinc/33/27/78/271332778.db2.gz QVLCWXZIBYRUPL-OAHLLOKOSA-N 1 1 305.466 3.003 10 0 DGAEMO Cc1nc(C)n([C@H]2CCC[N@@H+](CCc3ccc(F)c(F)c3)C2)n1 ZINC000370709337 271383114 /nfs/dbraw/zinc/38/31/14/271383114.db2.gz RYPMYSPTEHONIG-HNNXBMFYSA-N 1 1 320.387 3.053 10 0 DGAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@H]21 ZINC000247931332 432255356 /nfs/dbraw/zinc/25/53/56/432255356.db2.gz CBRGGRGFRWYLDE-BXUZGUMPSA-N 1 1 310.800 3.035 10 0 DGAEMO CC[N@H+]1CCC[C@@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)C1 ZINC000173088575 432256376 /nfs/dbraw/zinc/25/63/76/432256376.db2.gz MJKUKHKSHQPQHU-MMQHEFTJSA-N 1 1 321.490 3.054 10 0 DGAEMO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)ccc1O ZINC000180075307 274094209 /nfs/dbraw/zinc/09/42/09/274094209.db2.gz CPUYSZNSFOBMLF-KUHUBIRLSA-N 1 1 313.397 3.363 10 0 DGAEMO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)ccc1O ZINC000180075307 274094210 /nfs/dbraw/zinc/09/42/10/274094210.db2.gz CPUYSZNSFOBMLF-KUHUBIRLSA-N 1 1 313.397 3.363 10 0 DGAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CCN3CCCCC3)C2)cc1 ZINC000151042572 274117782 /nfs/dbraw/zinc/11/77/82/274117782.db2.gz LTUPFTRSJDCGFG-WMZOPIPTSA-N 1 1 302.462 3.359 10 0 DGAEMO COc1ccc([C@H]2C[C@H](C)N(CC[NH+]3CCCCC3)C2)cc1 ZINC000151042572 274117784 /nfs/dbraw/zinc/11/77/84/274117784.db2.gz LTUPFTRSJDCGFG-WMZOPIPTSA-N 1 1 302.462 3.359 10 0 DGAEMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189057991 274314390 /nfs/dbraw/zinc/31/43/90/274314390.db2.gz IHUXJOJGUMYXJY-CVEARBPZSA-N 1 1 300.446 3.082 10 0 DGAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)C/C=C/c3cccc(F)c3)CC[C@H]21 ZINC000247986975 432259235 /nfs/dbraw/zinc/25/92/35/432259235.db2.gz IXBCUCGBULLITN-AWHHDIADSA-N 1 1 316.420 3.172 10 0 DGAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc3C2)o1 ZINC000193113818 274759698 /nfs/dbraw/zinc/75/96/98/274759698.db2.gz VKFCKPIOTAHULE-LSDHHAIUSA-N 1 1 312.413 3.212 10 0 DGAEMO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000247977659 432259863 /nfs/dbraw/zinc/25/98/63/432259863.db2.gz IAADGEDSLNVGES-JKIFEVAISA-N 1 1 324.490 3.368 10 0 DGAEMO CCO[C@H](C)c1nc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000247977659 432259867 /nfs/dbraw/zinc/25/98/67/432259867.db2.gz IAADGEDSLNVGES-JKIFEVAISA-N 1 1 324.490 3.368 10 0 DGAEMO c1ccc2nc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc2c1 ZINC000246327634 275072123 /nfs/dbraw/zinc/07/21/23/275072123.db2.gz KWPLNFRXQVEPKE-KBXCAEBGSA-N 1 1 308.429 3.083 10 0 DGAEMO OCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247990440 432260230 /nfs/dbraw/zinc/26/02/30/432260230.db2.gz JIMKBDZDNCNMFA-WOJBJXKFSA-N 1 1 316.489 3.136 10 0 DGAEMO OCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247990440 432260235 /nfs/dbraw/zinc/26/02/35/432260235.db2.gz JIMKBDZDNCNMFA-WOJBJXKFSA-N 1 1 316.489 3.136 10 0 DGAEMO Brc1cc2c(cc1C[N@@H+]1CC[C@@H]1C1CC1)OCO2 ZINC000449430451 275368060 /nfs/dbraw/zinc/36/80/60/275368060.db2.gz ZVXJQERROSNAOC-GFCCVEGCSA-N 1 1 310.191 3.162 10 0 DGAEMO Brc1cc2c(cc1C[N@H+]1CC[C@@H]1C1CC1)OCO2 ZINC000449430451 275368063 /nfs/dbraw/zinc/36/80/63/275368063.db2.gz ZVXJQERROSNAOC-GFCCVEGCSA-N 1 1 310.191 3.162 10 0 DGAEMO Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000297573263 275371339 /nfs/dbraw/zinc/37/13/39/275371339.db2.gz GTEYMSDDOGSVRH-ZIAGYGMSSA-N 1 1 318.218 3.368 10 0 DGAEMO CCC1(CC)[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C[C@H]1OC ZINC000191394245 432260842 /nfs/dbraw/zinc/26/08/42/432260842.db2.gz FXHQFFJWIZWCTE-ZIAGYGMSSA-N 1 1 307.438 3.411 10 0 DGAEMO CCC[N@H+](Cc1nc2ccccc2n1C)C[C@@H]1CCCCO1 ZINC000170958048 276003036 /nfs/dbraw/zinc/00/30/36/276003036.db2.gz TTWNYRIOZRVVNC-HNNXBMFYSA-N 1 1 301.434 3.354 10 0 DGAEMO CCC[N@H+](Cc1cnc2nc(C)cc(C)n12)C[C@@H]1CCCCO1 ZINC000093132419 276003168 /nfs/dbraw/zinc/00/31/68/276003168.db2.gz BLDOSAQAHLJPDT-KRWDZBQOSA-N 1 1 316.449 3.127 10 0 DGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000177018962 276181613 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COCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000380828372 434268059 /nfs/dbraw/zinc/26/80/59/434268059.db2.gz IOSNDZDCHZKCJO-WCQYABFASA-N 1 1 317.260 3.365 10 0 DGAEMO COCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000380828372 434268068 /nfs/dbraw/zinc/26/80/68/434268068.db2.gz IOSNDZDCHZKCJO-WCQYABFASA-N 1 1 317.260 3.365 10 0 DGAEMO C[N@H+](Cc1cc(Cl)cc(Cl)c1N)[C@H]1CN2CCC1CC2 ZINC000381357281 434271865 /nfs/dbraw/zinc/27/18/65/434271865.db2.gz GAIDAYWQCIMPLA-AWEZNQCLSA-N 1 1 314.260 3.102 10 0 DGAEMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1N)[C@H]1CN2CCC1CC2 ZINC000381357281 434271870 /nfs/dbraw/zinc/27/18/70/434271870.db2.gz GAIDAYWQCIMPLA-AWEZNQCLSA-N 1 1 314.260 3.102 10 0 DGAEMO C[N@H+](Cc1csc(Br)c1)C[C@H]1CCC[C@H](O)C1 ZINC000383731672 434288170 /nfs/dbraw/zinc/28/81/70/434288170.db2.gz WWPACUCJFCKEQW-JQWIXIFHSA-N 1 1 318.280 3.494 10 0 DGAEMO c1ccc(OC2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000450605288 434288920 /nfs/dbraw/zinc/28/89/20/434288920.db2.gz 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/nfs/dbraw/zinc/36/33/34/434363334.db2.gz XNGLZFMRIIFSAC-GDWUOILNSA-N 1 1 308.429 3.366 10 0 DGAEMO C(=C\[C@@H]1CCC[N@@H+]1Cc1cn(CC2CC2)nn1)\c1ccccc1 ZINC000450715790 434363346 /nfs/dbraw/zinc/36/33/46/434363346.db2.gz XNGLZFMRIIFSAC-GDWUOILNSA-N 1 1 308.429 3.366 10 0 DGAEMO COC[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(F)cc1 ZINC000358187555 434373776 /nfs/dbraw/zinc/37/37/76/434373776.db2.gz KARONBXPBMORNY-SJCJKPOMSA-N 1 1 303.381 3.271 10 0 DGAEMO c1ccc(N2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)cc1 ZINC000366282994 434378379 /nfs/dbraw/zinc/37/83/79/434378379.db2.gz MIRQGIPYPBBHRQ-UHFFFAOYSA-N 1 1 313.489 3.262 10 0 DGAEMO Cc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3C[C@@H](C)O)n2)cc1 ZINC000392065396 434383787 /nfs/dbraw/zinc/38/37/87/434383787.db2.gz WAGGBBWEJKTGAK-GDBMZVCRSA-N 1 1 315.417 3.170 10 0 DGAEMO Brc1sccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000388816068 434335393 /nfs/dbraw/zinc/33/53/93/434335393.db2.gz GSSOLKLMICRCJM-SNVBAGLBSA-N 1 1 315.280 3.085 10 0 DGAEMO C[C@@H]([NH2+]Cc1cnns1)c1cccc(OC(F)(F)F)c1 ZINC000450683965 434340039 /nfs/dbraw/zinc/34/00/39/434340039.db2.gz RADSRCHTTAPIGL-MRVPVSSYSA-N 1 1 303.309 3.288 10 0 DGAEMO C[C@H](C[NH2+]Cc1ccsc1Br)N(C)C1CC1 ZINC000388882952 434341926 /nfs/dbraw/zinc/34/19/26/434341926.db2.gz JKZSEKUPDCRFLY-SECBINFHSA-N 1 1 303.269 3.083 10 0 DGAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CCCCC1 ZINC000389901989 434353031 /nfs/dbraw/zinc/35/30/31/434353031.db2.gz CSQQBYVQMXQEKT-MAUKXSAKSA-N 1 1 315.461 3.139 10 0 DGAEMO CC1=CC[N@H+](CCNCc2cc(Cl)cc3c2OCC3)CC1 ZINC000358161229 434359000 /nfs/dbraw/zinc/35/90/00/434359000.db2.gz FAAUZSBEYCCPNJ-UHFFFAOYSA-N 1 1 306.837 3.017 10 0 DGAEMO CC1=CC[N@@H+](CCNCc2cc(Cl)cc3c2OCC3)CC1 ZINC000358161229 434359007 /nfs/dbraw/zinc/35/90/07/434359007.db2.gz FAAUZSBEYCCPNJ-UHFFFAOYSA-N 1 1 306.837 3.017 10 0 DGAEMO C(=C/[C@@H]1CCCCC[N@@H+]1C[C@@H]1COCCO1)\c1cccs1 ZINC000450718357 434360980 /nfs/dbraw/zinc/36/09/80/434360980.db2.gz TVZHPQXQWAKJAQ-APPUJDCNSA-N 1 1 307.459 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10 0 DGAEMO O=C1OCCN1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000077357206 662023045 /nfs/dbraw/zinc/02/30/45/662023045.db2.gz PDVMLGDGHNVDLN-UHFFFAOYSA-N 1 1 305.765 3.142 10 0 DGAEMO CCOC[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000190672990 662040358 /nfs/dbraw/zinc/04/03/58/662040358.db2.gz TYDVKCWXSAPGOO-WBVHZDCISA-N 1 1 305.418 3.009 10 0 DGAEMO CCOC[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000190672990 662040361 /nfs/dbraw/zinc/04/03/61/662040361.db2.gz TYDVKCWXSAPGOO-WBVHZDCISA-N 1 1 305.418 3.009 10 0 DGAEMO CC[NH+](CC)CCCN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000191519387 662070510 /nfs/dbraw/zinc/07/05/10/662070510.db2.gz KKHFECIJHMYULH-MOPGFXCFSA-N 1 1 304.478 3.306 10 0 DGAEMO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192014266 662085697 /nfs/dbraw/zinc/08/56/97/662085697.db2.gz MUPUODRIORSBKL-CYBMUJFWSA-N 1 1 311.784 3.397 10 0 DGAEMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192014266 662085699 /nfs/dbraw/zinc/08/56/99/662085699.db2.gz 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662232051 /nfs/dbraw/zinc/23/20/51/662232051.db2.gz JLISHSGTMRDMJV-QWHCGFSZSA-N 1 1 308.388 3.346 10 0 DGAEMO CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000245382475 662232052 /nfs/dbraw/zinc/23/20/52/662232052.db2.gz JLISHSGTMRDMJV-QWHCGFSZSA-N 1 1 308.388 3.346 10 0 DGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(CSC(F)F)o1 ZINC000245696595 662238439 /nfs/dbraw/zinc/23/84/39/662238439.db2.gz CKWLZSBDYTYBNI-RYUDHWBXSA-N 1 1 316.417 3.404 10 0 DGAEMO Clc1ncccc1C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245812148 662242494 /nfs/dbraw/zinc/24/24/94/662242494.db2.gz CMRKYOQGNFLDOW-UONOGXRCSA-N 1 1 312.866 3.222 10 0 DGAEMO Clc1ncccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245812148 662242496 /nfs/dbraw/zinc/24/24/96/662242496.db2.gz CMRKYOQGNFLDOW-UONOGXRCSA-N 1 1 312.866 3.222 10 0 DGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246046282 662246415 /nfs/dbraw/zinc/24/64/15/662246415.db2.gz PMHKQZVWJAXZTJ-JSGCOSHPSA-N 1 1 324.856 3.237 10 0 DGAEMO 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