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/nfs/dbraw/zinc/58/73/77/436587377.db2.gz RKNHIMPVUKSZCX-ZWKOTPCHSA-N 1 1 347.459 0.633 10 0 ECAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000113269183 436636688 /nfs/dbraw/zinc/63/66/88/436636688.db2.gz FRGRBMKXOFOLFX-GDBMZVCRSA-N 1 1 334.464 0.236 10 0 ECAEMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113444778 436637965 /nfs/dbraw/zinc/63/79/65/436637965.db2.gz GCPNJMAJGGTQSF-GXFFZTMASA-N 1 1 343.435 0.561 10 0 ECAEMO CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797701 436652203 /nfs/dbraw/zinc/65/22/03/436652203.db2.gz VXMWHOWQZAZKFU-ZDUSSCGKSA-N 1 1 340.445 0.883 10 0 ECAEMO CC[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC000150727350 436687414 /nfs/dbraw/zinc/68/74/14/436687414.db2.gz CKDQYYJDIPOYOZ-OAHLLOKOSA-N 1 1 338.452 0.985 10 0 ECAEMO CC[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)CC[N@H+]1CCOC ZINC000150727350 436687419 /nfs/dbraw/zinc/68/74/19/436687419.db2.gz CKDQYYJDIPOYOZ-OAHLLOKOSA-N 1 1 338.452 0.985 10 0 ECAEMO COc1c(C[NH2+]CCNS(=O)(=O)c2cccs2)c(C)nn1C ZINC000122210406 436733325 /nfs/dbraw/zinc/73/33/25/436733325.db2.gz FUTNNAMJPAKZMA-UHFFFAOYSA-N 1 1 344.462 0.867 10 0 ECAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000153159707 436751209 /nfs/dbraw/zinc/75/12/09/436751209.db2.gz KXHQXZAXFBHTNQ-CYBMUJFWSA-N 1 1 347.419 0.941 10 0 ECAEMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CNC(=O)C1 ZINC000125077998 436762452 /nfs/dbraw/zinc/76/24/52/436762452.db2.gz FJUOKJJFXGIVHB-JKSUJKDBSA-N 1 1 331.416 0.396 10 0 ECAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)Nc3cccnn3)CC2)C1 ZINC000152053900 436718258 /nfs/dbraw/zinc/71/82/58/436718258.db2.gz RPZSOWZEHWUENY-HNNXBMFYSA-N 1 1 348.451 0.735 10 0 ECAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000248716214 436809122 /nfs/dbraw/zinc/80/91/22/436809122.db2.gz BHCZXRCESSGKRI-KBPBESRZSA-N 1 1 334.420 0.632 10 0 ECAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CC[N@H+]1C[C@H](C)O ZINC000248716214 436809125 /nfs/dbraw/zinc/80/91/25/436809125.db2.gz BHCZXRCESSGKRI-KBPBESRZSA-N 1 1 334.420 0.632 10 0 ECAEMO COCCc1cc(NC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)n(C)n1 ZINC000128078214 436811374 /nfs/dbraw/zinc/81/13/74/436811374.db2.gz DWPBXMQLXBVJRN-CYBMUJFWSA-N 1 1 339.440 0.793 10 0 ECAEMO COCCc1cc(NC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)n(C)n1 ZINC000128078214 436811377 /nfs/dbraw/zinc/81/13/77/436811377.db2.gz DWPBXMQLXBVJRN-CYBMUJFWSA-N 1 1 339.440 0.793 10 0 ECAEMO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H](O)C(F)(F)F ZINC000245986561 436770669 /nfs/dbraw/zinc/77/06/69/436770669.db2.gz HKCQZSZGGKHEAN-JOYOIKCWSA-N 1 1 346.305 0.499 10 0 ECAEMO C[N@@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H](O)C(F)(F)F ZINC000245986561 436770672 /nfs/dbraw/zinc/77/06/72/436770672.db2.gz HKCQZSZGGKHEAN-JOYOIKCWSA-N 1 1 346.305 0.499 10 0 ECAEMO CCC(=O)N1CC[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)C1 ZINC000246372120 436778532 /nfs/dbraw/zinc/77/85/32/436778532.db2.gz HPSBXHUMKRSDQX-QLFBSQMISA-N 1 1 325.453 0.549 10 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/nfs/dbraw/zinc/80/29/54/436802954.db2.gz XIMQKQCWARLJQD-MRXNPFEDSA-N 1 1 347.463 0.854 10 0 ECAEMO O[C@H](COC1CCOCC1)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000127496523 436803608 /nfs/dbraw/zinc/80/36/08/436803608.db2.gz RFBWHNDPLWDTFF-HNNXBMFYSA-N 1 1 336.436 0.545 10 0 ECAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000155799786 436803921 /nfs/dbraw/zinc/80/39/21/436803921.db2.gz XIMQKQCWARLJQD-INIZCTEOSA-N 1 1 347.463 0.854 10 0 ECAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000155799786 436803925 /nfs/dbraw/zinc/80/39/25/436803925.db2.gz XIMQKQCWARLJQD-INIZCTEOSA-N 1 1 347.463 0.854 10 0 ECAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255283591 436851031 /nfs/dbraw/zinc/85/10/31/436851031.db2.gz MUCMBRIPITVBKM-AZJURWTESA-N 1 1 346.431 0.182 10 0 ECAEMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CCCCO3)cn2)CC1 ZINC000157653874 436830974 /nfs/dbraw/zinc/83/09/74/436830974.db2.gz CKMCDQDKRFUMGU-AWEZNQCLSA-N 1 1 335.408 0.165 10 0 ECAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000163476322 436922756 /nfs/dbraw/zinc/92/27/56/436922756.db2.gz SUUDMGNTBKQOHI-YPMHNXCESA-N 1 1 338.383 0.463 10 0 ECAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CC[N@H+]1C[C@@H](C)O ZINC000163476322 436922759 /nfs/dbraw/zinc/92/27/59/436922759.db2.gz SUUDMGNTBKQOHI-YPMHNXCESA-N 1 1 338.383 0.463 10 0 ECAEMO CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000263376501 436963316 /nfs/dbraw/zinc/96/33/16/436963316.db2.gz BZZJNQYSKQWUEU-UHFFFAOYSA-N 1 1 338.452 0.804 10 0 ECAEMO CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(C)CC1 ZINC000171900000 436992421 /nfs/dbraw/zinc/99/24/21/436992421.db2.gz VIMWDINLELVVRF-SJORKVTESA-N 1 1 337.512 0.748 10 0 ECAEMO CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCN(C)CC1 ZINC000171900000 436992424 /nfs/dbraw/zinc/99/24/24/436992424.db2.gz VIMWDINLELVVRF-SJORKVTESA-N 1 1 337.512 0.748 10 0 ECAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000172245471 437005334 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CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCNC(=O)c1cccnc1 ZINC000176208352 437135344 /nfs/dbraw/zinc/13/53/44/437135344.db2.gz FQWDOPZJPLAMIN-OAHLLOKOSA-N 1 1 333.436 0.937 10 0 ECAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000177437509 437186380 /nfs/dbraw/zinc/18/63/80/437186380.db2.gz CKBNLBLQKGQCSI-ZDUSSCGKSA-N 1 1 334.424 0.263 10 0 ECAEMO C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@@H]1[NH+]1CCOCC1 ZINC000182484095 437353677 /nfs/dbraw/zinc/35/36/77/437353677.db2.gz MLGPLENVSBIQPU-DYVFJYSZSA-N 1 1 343.427 0.903 10 0 ECAEMO CC[C@H](O)CN1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000181744170 437328180 /nfs/dbraw/zinc/32/81/80/437328180.db2.gz ACIGMQGASCVEFZ-CVEARBPZSA-N 1 1 326.485 0.959 10 0 ECAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000182043821 437336700 /nfs/dbraw/zinc/33/67/00/437336700.db2.gz OJWMGSUASPMJQO-JKSUJKDBSA-N 1 1 347.463 0.758 10 0 ECAEMO CC[C@@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)CCN1C[C@@H](C)O ZINC000185035906 437423213 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CCOC(=O)C1CCC(O)(C[N@@H+](C)CCN2CCOCC2)CC1 ZINC000190861906 437641036 /nfs/dbraw/zinc/64/10/36/437641036.db2.gz KVCJCXHONOJMPJ-UHFFFAOYSA-N 1 1 328.453 0.735 10 0 ECAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000365378720 437905476 /nfs/dbraw/zinc/90/54/76/437905476.db2.gz HSYOCMXFIMMCFY-ZENOOKHLSA-N 1 1 341.477 0.356 10 0 ECAEMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000366208214 438036275 /nfs/dbraw/zinc/03/62/75/438036275.db2.gz HDVLRVZVVBWXBQ-FSZRXZPDSA-N 1 1 337.464 0.726 10 0 ECAEMO CN(C)C(=O)C[C@]1(O)CCC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000643755068 440294048 /nfs/dbraw/zinc/29/40/48/440294048.db2.gz KBRGKKSCSMLZET-QGZVFWFLSA-N 1 1 331.420 0.774 10 0 ECAEMO O=C1[C@H]([NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CCN1C1CC1 ZINC000328653326 320725314 /nfs/dbraw/zinc/72/53/14/320725314.db2.gz LAYVFKMVURZEPD-OAHLLOKOSA-N 1 1 341.477 0.640 10 0 ECAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCCc1ccc(OC(F)F)cc1 ZINC000185178970 534555054 /nfs/dbraw/zinc/55/50/54/534555054.db2.gz UFNVRVHHSKVFCD-OLZOCXBDSA-N 1 1 344.358 0.374 10 0 ECAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCCc1ccc(OC(F)F)cc1 ZINC000185178970 534555064 /nfs/dbraw/zinc/55/50/64/534555064.db2.gz UFNVRVHHSKVFCD-OLZOCXBDSA-N 1 1 344.358 0.374 10 0 ECAEMO Cn1ccnc1C1CCN(C(=O)C2CC[NH+](CC(N)=O)CC2)CC1 ZINC000097346789 545729503 /nfs/dbraw/zinc/72/95/03/545729503.db2.gz CDGUIDXZLSXLDW-UHFFFAOYSA-N 1 1 333.436 0.323 10 0 ECAEMO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000181783602 545887359 /nfs/dbraw/zinc/88/73/59/545887359.db2.gz BECHXHAVYNWJIN-CABCVRRESA-N 1 1 340.445 0.345 10 0 ECAEMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000620722805 546445830 /nfs/dbraw/zinc/44/58/30/546445830.db2.gz IGDXDDLARZLEJB-HZPDHXFCSA-N 1 1 330.432 0.055 10 0 ECAEMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000620722805 546445834 /nfs/dbraw/zinc/44/58/34/546445834.db2.gz IGDXDDLARZLEJB-HZPDHXFCSA-N 1 1 330.432 0.055 10 0 ECAEMO O=C(CC[N@@H+]1CC[C@](O)(Cn2ccnn2)C1)N1CCc2ccccc21 ZINC000671550631 548179503 /nfs/dbraw/zinc/17/95/03/548179503.db2.gz AUTMVVYTOLETRX-GOSISDBHSA-N 1 1 341.415 0.694 10 0 ECAEMO CC[C@H](O)[C@@H](C)C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000900591502 586644890 /nfs/dbraw/zinc/64/48/90/586644890.db2.gz KUXKCZPZMJQVEB-ZACQAIPSSA-N 1 1 341.496 0.647 10 0 ECAEMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC000907575426 586738476 /nfs/dbraw/zinc/73/84/76/586738476.db2.gz QWWUQAKKBPBIER-CYBMUJFWSA-N 1 1 326.441 0.095 10 0 ECAEMO CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105820368 589139813 /nfs/dbraw/zinc/13/98/13/589139813.db2.gz PEMULFQTQWGKFR-ZBFHGGJFSA-N 1 1 348.447 0.572 10 0 ECAEMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC2(OC)CCOCC2)C1 ZINC000886035874 590787966 /nfs/dbraw/zinc/78/79/66/590787966.db2.gz MVDSDNWUVPCCKL-GJZGRUSLSA-N 1 1 326.437 0.894 10 0 ECAEMO CO[C@@H]1CC(=O)N(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000189145088 611505229 /nfs/dbraw/zinc/50/52/29/611505229.db2.gz PEKUJMJNSSWJJF-SJORKVTESA-N 1 1 333.432 0.542 10 0 ECAEMO CN(C)c1nc2ccccc2n(CCC(=O)N2CC[NH+](C)CC2)c1=O ZINC000222867542 609705678 /nfs/dbraw/zinc/70/56/78/609705678.db2.gz JHMGVPDKDCVDCC-UHFFFAOYSA-N 1 1 343.431 0.627 10 0 ECAEMO CCc1[nH+]ccn1CCCNC(=O)Cc1nc(C)n(C)c(=O)c1C ZINC000222929079 609706263 /nfs/dbraw/zinc/70/62/63/609706263.db2.gz OJZHAYDHAOSPAA-UHFFFAOYSA-N 1 1 331.420 0.905 10 0 ECAEMO Cc1nc(N(C)[C@@H]2CCS(=O)(=O)C2)c2c([nH+]1)N[C@@H](C)C(=O)N2 ZINC000230265381 609768916 /nfs/dbraw/zinc/76/89/16/609768916.db2.gz WEQREQYGTGGRLI-IONNQARKSA-N 1 1 325.394 0.161 10 0 ECAEMO Nc1ncc(Br)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000054132074 214218086 /nfs/dbraw/zinc/21/80/86/214218086.db2.gz KLEPWSXTWGDAFF-UHFFFAOYSA-N 1 1 349.254 0.800 10 0 ECAEMO CN(C(=O)c1nc(S(C)(=O)=O)ncc1Cl)C1CC[NH+](C)CC1 ZINC000027666137 202159604 /nfs/dbraw/zinc/15/96/04/202159604.db2.gz KTCVRAXHXZOCIJ-UHFFFAOYSA-N 1 1 346.840 0.700 10 0 ECAEMO 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NC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177403129 207330929 /nfs/dbraw/zinc/33/09/29/207330929.db2.gz MAWMEYMTRUHAQX-OAHLLOKOSA-N 1 1 344.415 0.350 10 0 ECAEMO NC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000177403129 207330933 /nfs/dbraw/zinc/33/09/33/207330933.db2.gz MAWMEYMTRUHAQX-OAHLLOKOSA-N 1 1 344.415 0.350 10 0 ECAEMO CCn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1=O ZINC000177396664 207331104 /nfs/dbraw/zinc/33/11/04/207331104.db2.gz MYSFNJCINOSSFE-CQSZACIVSA-N 1 1 332.404 0.503 10 0 ECAEMO CCn1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1=O ZINC000177396664 207331108 /nfs/dbraw/zinc/33/11/08/207331108.db2.gz MYSFNJCINOSSFE-CQSZACIVSA-N 1 1 332.404 0.503 10 0 ECAEMO O=C(c1cc[nH]c(=O)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177543726 207353018 /nfs/dbraw/zinc/35/30/18/207353018.db2.gz BWBZYPIUGADSQV-INIZCTEOSA-N 1 1 327.384 0.866 10 0 ECAEMO CC(C)n1nccc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000177610447 207363799 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CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(CCOC)C(=O)C2)C1 ZINC000188892926 165003487 /nfs/dbraw/zinc/00/34/87/165003487.db2.gz GYEBCXOTLQLGEC-CQSZACIVSA-N 1 1 326.441 0.361 10 0 ECAEMO CC[N@H+]1CCC[C@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000194635244 165070039 /nfs/dbraw/zinc/07/00/39/165070039.db2.gz NDLIDVDRJYTNSE-ZDUSSCGKSA-N 1 1 336.436 0.842 10 0 ECAEMO CCOC(Cn1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)nn1)OCC ZINC000195188668 165077695 /nfs/dbraw/zinc/07/76/95/165077695.db2.gz UYBPRTQHUDGHGU-ZDUSSCGKSA-N 1 1 337.424 0.597 10 0 ECAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000245433598 165105461 /nfs/dbraw/zinc/10/54/61/165105461.db2.gz QFEIGWQPTGJMPA-DYVFJYSZSA-N 1 1 336.436 0.650 10 0 ECAEMO CN1CCO[C@@H](C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245680031 165114700 /nfs/dbraw/zinc/11/47/00/165114700.db2.gz MHPQPIHCKZBMOF-QWHCGFSZSA-N 1 1 342.237 0.896 10 0 ECAEMO C[N@@H+]1CCO[C@@H](CN[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245680031 165114704 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CC[C@H]1CN(C(=O)Nc2cnn(CCOC)c2)CC[N@H+]1C[C@H](C)O ZINC000247503078 165162113 /nfs/dbraw/zinc/16/21/13/165162113.db2.gz LWOOWINFNXSGNY-ZFWWWQNUSA-N 1 1 339.440 0.838 10 0 ECAEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC2)nn1 ZINC000247437052 165162803 /nfs/dbraw/zinc/16/28/03/165162803.db2.gz ZIDQSNOCTNTYOV-CQSZACIVSA-N 1 1 348.451 0.920 10 0 ECAEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC2)nn1 ZINC000247437052 165162809 /nfs/dbraw/zinc/16/28/09/165162809.db2.gz ZIDQSNOCTNTYOV-CQSZACIVSA-N 1 1 348.451 0.920 10 0 ECAEMO C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000248504277 165178235 /nfs/dbraw/zinc/17/82/35/165178235.db2.gz VLBCPYUSPHRPSD-MAUKXSAKSA-N 1 1 342.447 0.874 10 0 ECAEMO COCC(=O)NC1CN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249397955 165197769 /nfs/dbraw/zinc/19/77/69/165197769.db2.gz BLGQWKUVZLCNSE-OLZOCXBDSA-N 1 1 326.441 0.263 10 0 ECAEMO C[C@H](NC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)C(=O)N(C)C ZINC000249556885 165199013 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CCOCC[NH+]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000174733803 437087156 /nfs/dbraw/zinc/08/71/56/437087156.db2.gz AGLFMLUVAJIYTM-HNNXBMFYSA-N 1 1 335.452 0.596 10 0 ECAEMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175329602 437101410 /nfs/dbraw/zinc/10/14/10/437101410.db2.gz UHMWBJPWTADGHK-GFCCVEGCSA-N 1 1 344.440 0.992 10 0 ECAEMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000175329602 437101413 /nfs/dbraw/zinc/10/14/13/437101413.db2.gz UHMWBJPWTADGHK-GFCCVEGCSA-N 1 1 344.440 0.992 10 0 ECAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000176376748 437142398 /nfs/dbraw/zinc/14/23/98/437142398.db2.gz FSAPXICARTZRCO-UKRRQHHQSA-N 1 1 348.451 0.651 10 0 ECAEMO CC(C)[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)N1CC[NH+](C)CC1 ZINC000176380978 437142630 /nfs/dbraw/zinc/14/26/30/437142630.db2.gz LVWZXAIQTNBPDO-GJZGRUSLSA-N 1 1 349.483 0.684 10 0 ECAEMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)o1 ZINC000175894285 437124173 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CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000181926506 437331995 /nfs/dbraw/zinc/33/19/95/437331995.db2.gz RFYKZIZCVBFDLA-KBPBESRZSA-N 1 1 340.468 0.484 10 0 ECAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000181987632 437335960 /nfs/dbraw/zinc/33/59/60/437335960.db2.gz TWZAVFCXBHWASG-CHWSQXEVSA-N 1 1 349.439 0.457 10 0 ECAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)Nc3ccon3)CC2)C1 ZINC000183520382 437386987 /nfs/dbraw/zinc/38/69/87/437386987.db2.gz ZVRFZFKNEDEZEZ-CQSZACIVSA-N 1 1 337.424 0.933 10 0 ECAEMO CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188098852 437526132 /nfs/dbraw/zinc/52/61/32/437526132.db2.gz LMBSDHPCFJWOPP-KBPBESRZSA-N 1 1 340.445 0.777 10 0 ECAEMO CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188098852 437526136 /nfs/dbraw/zinc/52/61/36/437526136.db2.gz LMBSDHPCFJWOPP-KBPBESRZSA-N 1 1 340.445 0.777 10 0 ECAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000188497098 437551295 /nfs/dbraw/zinc/55/12/95/437551295.db2.gz IZMKCRCHZJXTGY-QZTJIDSGSA-N 1 1 345.443 0.355 10 0 ECAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)C1 ZINC000188570485 437557822 /nfs/dbraw/zinc/55/78/22/437557822.db2.gz ORGVTNRGVUIZEI-QWHCGFSZSA-N 1 1 337.424 0.630 10 0 ECAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CN2CSCC2=O)C1 ZINC000190575346 437631179 /nfs/dbraw/zinc/63/11/79/437631179.db2.gz QERNISCJTWRUKR-OAHLLOKOSA-N 1 1 348.472 0.895 10 0 ECAEMO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329162843 320757299 /nfs/dbraw/zinc/75/72/99/320757299.db2.gz GEQXKJZUIYEYFS-ZDUSSCGKSA-N 1 1 342.403 0.967 10 0 ECAEMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(C(N)=S)c2)C1 ZINC000038005355 523962821 /nfs/dbraw/zinc/96/28/21/523962821.db2.gz YLZGZZBSGODSPB-LBPRGKRZSA-N 1 1 327.475 0.692 10 0 ECAEMO CC(C)[C@@H](O)CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000158469754 528614359 /nfs/dbraw/zinc/61/43/59/528614359.db2.gz ANDPZGNWDNPWLU-KRWDZBQOSA-N 1 1 347.459 0.854 10 0 ECAEMO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171923083 528783166 /nfs/dbraw/zinc/78/31/66/528783166.db2.gz DNVWHIMBZQZCHE-ZDUSSCGKSA-N 1 1 338.408 0.654 10 0 ECAEMO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171923083 528783172 /nfs/dbraw/zinc/78/31/72/528783172.db2.gz DNVWHIMBZQZCHE-ZDUSSCGKSA-N 1 1 338.408 0.654 10 0 ECAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000181191305 529227708 /nfs/dbraw/zinc/22/77/08/529227708.db2.gz MQSILVUEKIBWDU-CYBMUJFWSA-N 1 1 345.407 0.583 10 0 ECAEMO CC[C@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1CCOC ZINC000105837064 545740029 /nfs/dbraw/zinc/74/00/29/545740029.db2.gz LSODCKAQOQQRRR-INIZCTEOSA-N 1 1 337.468 0.421 10 0 ECAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000177970807 545877337 /nfs/dbraw/zinc/87/73/37/545877337.db2.gz SGDPBIHPNKYYOO-CHWSQXEVSA-N 1 1 349.435 0.145 10 0 ECAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000177970807 545877340 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CC[C@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CC[N@H+]1CCOC ZINC000117324158 589755543 /nfs/dbraw/zinc/75/55/43/589755543.db2.gz TXJNUAKBVKHYBN-HNNXBMFYSA-N 1 1 346.435 0.429 10 0 ECAEMO CN(C)[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1n1ccnn1 ZINC000862496657 589942008 /nfs/dbraw/zinc/94/20/08/589942008.db2.gz CJAAVUIHSQYNHM-SJORKVTESA-N 1 1 338.419 0.846 10 0 ECAEMO CN(C)[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1n1ccnn1 ZINC000862496657 589942010 /nfs/dbraw/zinc/94/20/10/589942010.db2.gz CJAAVUIHSQYNHM-SJORKVTESA-N 1 1 338.419 0.846 10 0 ECAEMO Cc1[nH+]ccn1C[C@H]1CCCN1Cn1nnc2c(cnn2C)c1=O ZINC000132761220 590662837 /nfs/dbraw/zinc/66/28/37/590662837.db2.gz VXBJFZYIGOQHAU-GFCCVEGCSA-N 1 1 328.380 0.152 10 0 ECAEMO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CCN2CCCC2)C1 ZINC000886080268 590792489 /nfs/dbraw/zinc/79/24/89/590792489.db2.gz SFUVUYTWXXGTTL-XHSDSOJGSA-N 1 1 345.509 0.643 10 0 ECAEMO CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CCN2CCCC2)C1 ZINC000886080268 590792492 /nfs/dbraw/zinc/79/24/92/590792492.db2.gz SFUVUYTWXXGTTL-XHSDSOJGSA-N 1 1 345.509 0.643 10 0 ECAEMO O=C(OCCN1CC[NH+](Cc2ccsc2)CC1)[C@H]1CNC(=O)C1 ZINC000175185809 609721583 /nfs/dbraw/zinc/72/15/83/609721583.db2.gz DFWLGBQUSLKYBN-CQSZACIVSA-N 1 1 337.445 0.545 10 0 ECAEMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000169789495 609746562 /nfs/dbraw/zinc/74/65/62/609746562.db2.gz LXWFOKODRSNVTE-KRWDZBQOSA-N 1 1 347.459 0.803 10 0 ECAEMO O=C(NCCCc1nnc2ccccn21)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072480387 610970898 /nfs/dbraw/zinc/97/08/98/610970898.db2.gz GMJKMLXTQUWTHV-HNNXBMFYSA-N 1 1 325.376 0.388 10 0 ECAEMO O=C(NCCCc1nnc2ccccn21)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072480388 610970932 /nfs/dbraw/zinc/97/09/32/610970932.db2.gz GMJKMLXTQUWTHV-OAHLLOKOSA-N 1 1 325.376 0.388 10 0 ECAEMO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCOCCO)CC1 ZINC000132968168 611346873 /nfs/dbraw/zinc/34/68/73/611346873.db2.gz OGUROEBPBDPUSK-UHFFFAOYSA-N 1 1 330.860 0.762 10 0 ECAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000246480768 612703198 /nfs/dbraw/zinc/70/31/98/612703198.db2.gz XRVIAOCOJFSIKD-RISCZKNCSA-N 1 1 338.433 0.317 10 0 ECAEMO C[C@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1[NH+]1CCOCC1 ZINC000173826071 231044668 /nfs/dbraw/zinc/04/46/68/231044668.db2.gz KPXUZHOUJNPIQD-UONOGXRCSA-N 1 1 335.404 0.579 10 0 ECAEMO C[C@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173981873 231089253 /nfs/dbraw/zinc/08/92/53/231089253.db2.gz MZGNTKFAQBPUBM-BBRMVZONSA-N 1 1 349.406 0.735 10 0 ECAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000171613946 529761443 /nfs/dbraw/zinc/76/14/43/529761443.db2.gz CCKMEOQVMLETBJ-ZDUSSCGKSA-N 1 1 331.420 0.680 10 0 ECAEMO CN1CC[C@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000163865156 529805501 /nfs/dbraw/zinc/80/55/01/529805501.db2.gz SWIAYJRDSPNFRQ-HOTGVXAUSA-N 1 1 346.431 0.278 10 0 ECAEMO CC(C)N1CCO[C@H](CN2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)C1 ZINC000193323677 535221483 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330.450 0.323 10 0 ECAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000246770459 243312692 /nfs/dbraw/zinc/31/26/92/243312692.db2.gz AVTNEKBGRHYAGF-BBRMVZONSA-N 1 1 326.404 0.900 10 0 ECAEMO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)cn1 ZINC000116312385 220949969 /nfs/dbraw/zinc/94/99/69/220949969.db2.gz PSSSNCCJOWMZIS-LBPRGKRZSA-N 1 1 327.388 0.947 10 0 ECAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)cn1 ZINC000116312385 220949973 /nfs/dbraw/zinc/94/99/73/220949973.db2.gz PSSSNCCJOWMZIS-LBPRGKRZSA-N 1 1 327.388 0.947 10 0 ECAEMO CCOCC[N@H+]1CCN(C(=O)NCCC(=O)N(C)C)C[C@@H]1CC ZINC000117034704 221025366 /nfs/dbraw/zinc/02/53/66/221025366.db2.gz BPMMLXCFDSFLLI-AWEZNQCLSA-N 1 1 328.457 0.607 10 0 ECAEMO C[C@@H](O)CN1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1C ZINC000185964367 287090569 /nfs/dbraw/zinc/09/05/69/287090569.db2.gz ZYLGNRQZTQZMSI-HUUCEWRRSA-N 1 1 326.485 0.815 10 0 ECAEMO CCCCOC[C@@H](O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000195142045 165073774 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C[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000246291300 165129128 /nfs/dbraw/zinc/12/91/28/165129128.db2.gz AZFZVSBYYRORKQ-GDBMZVCRSA-N 1 1 328.420 0.815 10 0 ECAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccs2)C[C@H]1C ZINC000246777883 165141744 /nfs/dbraw/zinc/14/17/44/165141744.db2.gz PUVGXHYAFKYGHN-NEPJUHHUSA-N 1 1 325.434 0.391 10 0 ECAEMO CCOCC[N@H+]1CCN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000247010480 165149297 /nfs/dbraw/zinc/14/92/97/165149297.db2.gz CDAWYCIGJKEMPJ-CQSZACIVSA-N 1 1 340.468 0.750 10 0 ECAEMO CCOCCN1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000247010480 165149298 /nfs/dbraw/zinc/14/92/98/165149298.db2.gz CDAWYCIGJKEMPJ-CQSZACIVSA-N 1 1 340.468 0.750 10 0 ECAEMO CCOCCN1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000247010480 165149299 /nfs/dbraw/zinc/14/92/99/165149299.db2.gz CDAWYCIGJKEMPJ-CQSZACIVSA-N 1 1 340.468 0.750 10 0 ECAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000246983285 165150639 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C[C@H](O)C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccccc2)C[C@@H]1C ZINC000248574425 165178907 /nfs/dbraw/zinc/17/89/07/165178907.db2.gz DFRZLETUNXEEBB-GJZGRUSLSA-N 1 1 348.447 0.513 10 0 ECAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCCNc2ccccn2)C[C@@H]1C ZINC000248634462 165181295 /nfs/dbraw/zinc/18/12/95/165181295.db2.gz PYQDTRCKAVLPLM-GJZGRUSLSA-N 1 1 335.452 0.980 10 0 ECAEMO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000248857371 165189079 /nfs/dbraw/zinc/18/90/79/165189079.db2.gz POORAHLWGCFKNH-OAGGEKHMSA-N 1 1 327.469 0.617 10 0 ECAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000249211250 165196150 /nfs/dbraw/zinc/19/61/50/165196150.db2.gz SNUZOXVIYSXSIY-KGLIPLIRSA-N 1 1 332.404 0.409 10 0 ECAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000262200761 165306263 /nfs/dbraw/zinc/30/62/63/165306263.db2.gz IDVOXISFBTVCDG-ZJUUUORDSA-N 1 1 327.322 0.408 10 0 ECAEMO C[NH2+][C@H](C(=O)NCc1cccnc1-n1ccnc1)c1cnn(C)c1 ZINC000262441514 165350187 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Cc1nonc1C[N@H+]1C[C@H](C(=O)N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000888103651 586350689 /nfs/dbraw/zinc/35/06/89/586350689.db2.gz RFULZGLDCSNXMR-CABCVRRESA-N 1 1 344.419 0.950 10 0 ECAEMO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000160290100 608909435 /nfs/dbraw/zinc/90/94/35/608909435.db2.gz YPFFHTKWWYEXFS-GFCCVEGCSA-N 1 1 326.484 0.071 10 0 ECAEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000160290100 608909440 /nfs/dbraw/zinc/90/94/40/608909440.db2.gz YPFFHTKWWYEXFS-GFCCVEGCSA-N 1 1 326.484 0.071 10 0 ECAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)C[C@@H]1C ZINC000188807919 609129568 /nfs/dbraw/zinc/12/95/68/609129568.db2.gz PKUAGLHDKQCADK-RYUDHWBXSA-N 1 1 337.428 0.431 10 0 ECAEMO COCC[N@H+]1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)C[C@@H]1C ZINC000188807919 609129570 /nfs/dbraw/zinc/12/95/70/609129570.db2.gz PKUAGLHDKQCADK-RYUDHWBXSA-N 1 1 337.428 0.431 10 0 ECAEMO Cn1ccnc1[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1CCOCC1 ZINC000908106929 609644537 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CCc1nc(C2([NH2+]CCc3cn(CC(=O)OC)nn3)CCCC2)no1 ZINC000154119732 529731460 /nfs/dbraw/zinc/73/14/60/529731460.db2.gz XEWXEGMZNDYFBT-UHFFFAOYSA-N 1 1 348.407 0.998 10 0 ECAEMO NC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1[NH2+]CCc3nc[nH]c31)C2 ZINC000072474759 283368418 /nfs/dbraw/zinc/36/84/18/283368418.db2.gz DREQKXYJFXHCKH-ZDUSSCGKSA-N 1 1 331.401 0.342 10 0 ECAEMO CC(C)CCOCCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824433 545738201 /nfs/dbraw/zinc/73/82/01/545738201.db2.gz PZHXAEVILOICGQ-HZPDHXFCSA-N 1 1 329.485 0.552 10 0 ECAEMO NC(=O)C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072424261 216213957 /nfs/dbraw/zinc/21/39/57/216213957.db2.gz JSECWDHMPRGYKQ-MORSLUCNSA-N 1 1 329.400 0.763 10 0 ECAEMO NC(=O)C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072424261 216213960 /nfs/dbraw/zinc/21/39/60/216213960.db2.gz JSECWDHMPRGYKQ-MORSLUCNSA-N 1 1 329.400 0.763 10 0 ECAEMO CC[NH+]1CCN(C(=O)c2nnc3nc(C(F)(F)F)nn3c2C)CC1 ZINC000072452973 216239681 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ECAEMO Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)[nH]n1 ZINC000012299733 211337135 /nfs/dbraw/zinc/33/71/35/211337135.db2.gz ROWPGEMTNZDAIG-CQSZACIVSA-N 1 1 335.452 0.913 10 0 ECAEMO Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n[nH]1 ZINC000012299733 211337138 /nfs/dbraw/zinc/33/71/38/211337138.db2.gz ROWPGEMTNZDAIG-CQSZACIVSA-N 1 1 335.452 0.913 10 0 ECAEMO Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n[nH]1 ZINC000012299733 211337141 /nfs/dbraw/zinc/33/71/41/211337141.db2.gz ROWPGEMTNZDAIG-CQSZACIVSA-N 1 1 335.452 0.913 10 0 ECAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000245433599 285270332 /nfs/dbraw/zinc/27/03/32/285270332.db2.gz QFEIGWQPTGJMPA-GUYCJALGSA-N 1 1 336.436 0.650 10 0 ECAEMO COC(=O)CCCS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000173743950 533397542 /nfs/dbraw/zinc/39/75/42/533397542.db2.gz ZEXZKHLYIQMVHV-CYBMUJFWSA-N 1 1 329.422 0.939 10 0 ECAEMO C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)C[NH+]1CCOCC1 ZINC000188864374 165003176 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165144434 /nfs/dbraw/zinc/14/44/34/165144434.db2.gz DSSJJZBABVUFHM-TZMCWYRMSA-N 1 1 336.440 0.039 10 0 ECAEMO NC(=O)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246999232 165151198 /nfs/dbraw/zinc/15/11/98/165151198.db2.gz BKICTUPGNGWCJW-ZDUSSCGKSA-N 1 1 348.472 0.983 10 0 ECAEMO COc1ccccc1CNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247050264 165152258 /nfs/dbraw/zinc/15/22/58/165152258.db2.gz FGDHJONVRFNWHG-GJZGRUSLSA-N 1 1 335.448 0.698 10 0 ECAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000247075383 165153683 /nfs/dbraw/zinc/15/36/83/165153683.db2.gz GRIUESZMOSPIDY-HUUCEWRRSA-N 1 1 342.484 0.899 10 0 ECAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000247075383 165153686 /nfs/dbraw/zinc/15/36/86/165153686.db2.gz GRIUESZMOSPIDY-HUUCEWRRSA-N 1 1 342.484 0.899 10 0 ECAEMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(F)cc2)C[C@H]1C ZINC000247204043 165155453 /nfs/dbraw/zinc/15/54/53/165155453.db2.gz PFMFCPAKKQDYIQ-YCPHGPKFSA-N 1 1 326.412 0.952 10 0 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/nfs/dbraw/zinc/44/70/13/437447013.db2.gz ZCLJVVMRVYLPHH-ZDUSSCGKSA-N 1 1 326.441 0.121 10 0 ECAEMO Cn1nnc(CN2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000193493806 437712137 /nfs/dbraw/zinc/71/21/37/437712137.db2.gz LRPZXTPNNOSUGQ-ZDUSSCGKSA-N 1 1 338.456 0.838 10 0 ECAEMO Cn1nnc(CN2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000193493806 437712142 /nfs/dbraw/zinc/71/21/42/437712142.db2.gz LRPZXTPNNOSUGQ-ZDUSSCGKSA-N 1 1 338.456 0.838 10 0 ECAEMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000370532437 437798468 /nfs/dbraw/zinc/79/84/68/437798468.db2.gz ACOLDSYZYXAZKT-PYXYIPKBSA-N 1 1 325.453 0.628 10 0 ECAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C[C@@H]1C ZINC000371946681 438015394 /nfs/dbraw/zinc/01/53/94/438015394.db2.gz IFZGTDBPHLJBQM-BTFPBAQTSA-N 1 1 338.452 0.092 10 0 ECAEMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000398623952 438452042 /nfs/dbraw/zinc/45/20/42/438452042.db2.gz LIGZYUHIIICTDY-RDBSUJKOSA-N 1 1 332.400 0.594 10 0 ECAEMO CCn1cc[nH+]c1Cn1cc(I)c(=O)[nH]c1=O ZINC000582013931 439278031 /nfs/dbraw/zinc/27/80/31/439278031.db2.gz BGXLKYIDBUPBJX-UHFFFAOYSA-N 1 1 346.128 0.818 10 0 ECAEMO Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644228521 440480314 /nfs/dbraw/zinc/48/03/14/440480314.db2.gz NVARWEVYSVSZBJ-BMFZPTHFSA-N 1 1 349.431 0.356 10 0 ECAEMO CCO[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000644375171 440554109 /nfs/dbraw/zinc/55/41/09/440554109.db2.gz JQXMPKIAVORJPD-OALUTQOASA-N 1 1 348.443 0.935 10 0 ECAEMO Cn1c(=O)c(C[N@H+]2C[C@@H](O)[C@H](n3ccnn3)C2)cc2ccccc21 ZINC000639742395 440780209 /nfs/dbraw/zinc/78/02/09/440780209.db2.gz QGDWCBMGSZCGND-HZPDHXFCSA-N 1 1 325.372 0.548 10 0 ECAEMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H]2Cn2ccnc2C)nn1 ZINC000154556457 533789210 /nfs/dbraw/zinc/78/92/10/533789210.db2.gz KMDXMYGRVKMDLM-OAHLLOKOSA-N 1 1 332.408 0.663 10 0 ECAEMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1[NH+]1CCOCC1 ZINC000173826033 534302797 /nfs/dbraw/zinc/30/27/97/534302797.db2.gz KPXUZHOUJNPIQD-KGLIPLIRSA-N 1 1 335.404 0.579 10 0 ECAEMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173979350 534305076 /nfs/dbraw/zinc/30/50/76/534305076.db2.gz VTQVZNXIIBHRSH-CZUORRHYSA-N 1 1 349.406 0.735 10 0 ECAEMO C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173970922 534305112 /nfs/dbraw/zinc/30/51/12/534305112.db2.gz OBOAEYQUEYAJNC-GDBMZVCRSA-N 1 1 331.416 0.596 10 0 ECAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)NC(=O)NCc1ccccc1 ZINC000171705014 534533790 /nfs/dbraw/zinc/53/37/90/534533790.db2.gz PBPNYGSFBVTSGV-HNNXBMFYSA-N 1 1 342.403 0.941 10 0 ECAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)NC(=O)NCc1ccccc1 ZINC000171705014 534533793 /nfs/dbraw/zinc/53/37/93/534533793.db2.gz PBPNYGSFBVTSGV-HNNXBMFYSA-N 1 1 342.403 0.941 10 0 ECAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000105830218 545736697 /nfs/dbraw/zinc/73/66/97/545736697.db2.gz LZXNMTNHINFZSJ-HNNXBMFYSA-N 1 1 333.436 0.416 10 0 ECAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000105830218 545736701 /nfs/dbraw/zinc/73/67/01/545736701.db2.gz LZXNMTNHINFZSJ-HNNXBMFYSA-N 1 1 333.436 0.416 10 0 ECAEMO COCC[N@@H+]1CCN(CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000105832278 545740477 /nfs/dbraw/zinc/74/04/77/545740477.db2.gz PYIDZFLEZDBGEK-HNNXBMFYSA-N 1 1 335.448 0.964 10 0 ECAEMO COCC[N@H+]1CCN(CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000105832278 545740484 /nfs/dbraw/zinc/74/04/84/545740484.db2.gz PYIDZFLEZDBGEK-HNNXBMFYSA-N 1 1 335.448 0.964 10 0 ECAEMO C[C@H]1C[N@H+](C)C[C@H](C(=O)Nc2cccnc2N2CCC(O)CC2)O1 ZINC000896145120 586223248 /nfs/dbraw/zinc/22/32/48/586223248.db2.gz YFYROJNSQKYNHF-SWLSCSKDSA-N 1 1 334.420 0.700 10 0 ECAEMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)Nc2cccnc2N2CCC(O)CC2)O1 ZINC000896145120 586223249 /nfs/dbraw/zinc/22/32/49/586223249.db2.gz YFYROJNSQKYNHF-SWLSCSKDSA-N 1 1 334.420 0.700 10 0 ECAEMO CC(=O)N[C@H]1CCCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900251560 586534099 /nfs/dbraw/zinc/53/40/99/586534099.db2.gz KMZDDJMEDBUPKO-KRWDZBQOSA-N 1 1 338.496 0.920 10 0 ECAEMO CN(C)[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)C[C@@H]1n1ccnn1 ZINC000859758308 589713912 /nfs/dbraw/zinc/71/39/12/589713912.db2.gz YKYLWDZZNGDOPF-CABCVRRESA-N 1 1 329.408 0.489 10 0 ECAEMO CN(C)[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)C[C@@H]1n1ccnn1 ZINC000859758308 589713914 /nfs/dbraw/zinc/71/39/14/589713914.db2.gz YKYLWDZZNGDOPF-CABCVRRESA-N 1 1 329.408 0.489 10 0 ECAEMO COCC[N@H+]1CCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C[C@@H]1C ZINC000117322673 589755631 /nfs/dbraw/zinc/75/56/31/589755631.db2.gz NDXONDJCQMPDOC-KBPBESRZSA-N 1 1 326.441 0.563 10 0 ECAEMO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CCN2CCCC2)C1 ZINC000886080267 590792389 /nfs/dbraw/zinc/79/23/89/590792389.db2.gz SFUVUYTWXXGTTL-OAGGEKHMSA-N 1 1 345.509 0.643 10 0 ECAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CCN2CCCC2)C1 ZINC000886080267 590792392 /nfs/dbraw/zinc/79/23/92/590792392.db2.gz SFUVUYTWXXGTTL-OAGGEKHMSA-N 1 1 345.509 0.643 10 0 ECAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC000886094214 590794970 /nfs/dbraw/zinc/79/49/70/590794970.db2.gz UUAZPAMDMJZRJI-YUELXQCFSA-N 1 1 334.420 0.494 10 0 ECAEMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC(=O)N1C ZINC000908105167 609644317 /nfs/dbraw/zinc/64/43/17/609644317.db2.gz CGGSGJPHHHYDSO-UICACZKSSA-N 1 1 345.447 0.825 10 0 ECAEMO COC(=O)c1ncn(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1 ZINC000152670549 609872045 /nfs/dbraw/zinc/87/20/45/609872045.db2.gz HOLXUICUIODFQG-UHFFFAOYSA-N 1 1 347.423 0.190 10 0 ECAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cn1nc(CCC(N)=O)n(C)c1=S ZINC000153250022 609893752 /nfs/dbraw/zinc/89/37/52/609893752.db2.gz VURNLBZCOIEYMA-NWDGAFQWSA-N 1 1 338.481 0.495 10 0 ECAEMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000913187614 610048706 /nfs/dbraw/zinc/04/87/06/610048706.db2.gz CVDZSQWXNKXXPL-MKBNYLNASA-N 1 1 326.343 0.535 10 0 ECAEMO CC[C@H]1CN(CN2C[C@](C)(COC)CC2=O)CC[N@H+]1CCOC ZINC000245427087 612578032 /nfs/dbraw/zinc/57/80/32/612578032.db2.gz VTSSKQRXTHUZLK-DOTOQJQBSA-N 1 1 327.469 0.872 10 0 ECAEMO CCCn1c(CO)nn(CN2CC[N@@H+](CCOC)[C@@H](C)C2)c1=S ZINC000246185275 612791951 /nfs/dbraw/zinc/79/19/51/612791951.db2.gz CPDNZGDQNJJZHV-ZDUSSCGKSA-N 1 1 343.497 0.926 10 0 ECAEMO CC[C@@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CC[N@H+]1C[C@H](C)O ZINC000328649708 740254865 /nfs/dbraw/zinc/25/48/65/740254865.db2.gz ISQIRZNWQXCGPA-UXLLHSPISA-N 1 1 339.480 0.543 10 0 ECAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000190340065 529404328 /nfs/dbraw/zinc/40/43/28/529404328.db2.gz CHJANCLMNPUVDK-HUUCEWRRSA-N 1 1 346.431 0.892 10 0 ECAEMO O=C(Cn1ncc(=O)c2ccccc21)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000101684907 219155821 /nfs/dbraw/zinc/15/58/21/219155821.db2.gz XDZCQYRMTNSMDP-CYBMUJFWSA-N 1 1 326.400 0.997 10 0 ECAEMO C[C@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000076052304 202385212 /nfs/dbraw/zinc/38/52/12/202385212.db2.gz SQNSNGGSKDFNDZ-BBRMVZONSA-N 1 1 344.415 0.509 10 0 ECAEMO COCCn1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000190105302 238218855 /nfs/dbraw/zinc/21/88/55/238218855.db2.gz GCUVEFGFQOGFNW-QWHCGFSZSA-N 1 1 335.408 0.163 10 0 ECAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)COCC3CC3)CC2)C1 ZINC000105818388 201060987 /nfs/dbraw/zinc/06/09/87/201060987.db2.gz CPZFKEHBYYZCMY-KRWDZBQOSA-N 1 1 339.480 0.666 10 0 ECAEMO COCCCC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818420 201061047 /nfs/dbraw/zinc/06/10/47/201061047.db2.gz SRQRXTVAAVSLGM-MRXNPFEDSA-N 1 1 327.469 0.666 10 0 ECAEMO CC(C)C[C@@H]([NH3+])C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O ZINC000255988653 201189491 /nfs/dbraw/zinc/18/94/91/201189491.db2.gz MUAYBPXNPVZUIG-SECBINFHSA-N 1 1 338.368 0.005 10 0 ECAEMO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCN1Cc2ccccc2C1 ZINC000067785487 202933907 /nfs/dbraw/zinc/93/39/07/202933907.db2.gz VGJQDSJZWWZBOB-SJORKVTESA-N 1 1 344.459 0.845 10 0 ECAEMO Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)o2)n1C ZINC000072162872 203177764 /nfs/dbraw/zinc/17/77/64/203177764.db2.gz UZZZHYQRGFEKPW-IKARSPCKSA-N 1 1 332.404 0.947 10 0 ECAEMO COC[C@@H](C)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103433640 204078595 /nfs/dbraw/zinc/07/85/95/204078595.db2.gz YOGUCFUUGCKFBJ-OAHLLOKOSA-N 1 1 333.432 0.730 10 0 ECAEMO COCC[N@@H+]1CCN(CC(=O)NC(=O)NCc2ccco2)C[C@@H]1C ZINC000105831683 204165566 /nfs/dbraw/zinc/16/55/66/204165566.db2.gz VNNUMTOWSLHGMG-ZDUSSCGKSA-N 1 1 338.408 0.258 10 0 ECAEMO COCC[N@H+]1CCN(CC(=O)NC(=O)NCc2ccco2)C[C@@H]1C ZINC000105831683 204165570 /nfs/dbraw/zinc/16/55/70/204165570.db2.gz VNNUMTOWSLHGMG-ZDUSSCGKSA-N 1 1 338.408 0.258 10 0 ECAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000106394419 204192833 /nfs/dbraw/zinc/19/28/33/204192833.db2.gz NCKVLROKKJSZJU-CQSZACIVSA-N 1 1 344.415 0.312 10 0 ECAEMO Cn1cc(C[N@@H+]2CCCN(CC(=O)NCc3cccnc3)CC2)cn1 ZINC000111228897 204343351 /nfs/dbraw/zinc/34/33/51/204343351.db2.gz JEPDPSYUYSCRKJ-UHFFFAOYSA-N 1 1 342.447 0.639 10 0 ECAEMO 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O[C@H](CN1CCN(c2ccccc2)CC1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000069876949 435974895 /nfs/dbraw/zinc/97/48/95/435974895.db2.gz PBACCJZHGPFLSN-WOJBJXKFSA-N 1 1 344.503 0.950 10 0 ECAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)C1 ZINC000052547919 436509569 /nfs/dbraw/zinc/50/95/69/436509569.db2.gz BYGUTFWXMUXNEJ-CYBMUJFWSA-N 1 1 340.449 0.618 10 0 ECAEMO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799483 436577786 /nfs/dbraw/zinc/57/77/86/436577786.db2.gz JWCBUPGZXVBRRF-HNNXBMFYSA-N 1 1 335.452 0.920 10 0 ECAEMO CCOCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105799483 436577791 /nfs/dbraw/zinc/57/77/91/436577791.db2.gz JWCBUPGZXVBRRF-HNNXBMFYSA-N 1 1 335.452 0.920 10 0 ECAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799291 436578892 /nfs/dbraw/zinc/57/88/92/436578892.db2.gz RFIYHYUHQZMWHI-GFCCVEGCSA-N 1 1 332.408 0.365 10 0 ECAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105799291 436578896 /nfs/dbraw/zinc/57/88/96/436578896.db2.gz 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Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113444775 436638096 /nfs/dbraw/zinc/63/80/96/436638096.db2.gz GCPNJMAJGGTQSF-GWCFXTLKSA-N 1 1 343.435 0.561 10 0 ECAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000150772577 436689355 /nfs/dbraw/zinc/68/93/55/436689355.db2.gz RWVIXWNTWZQAIN-ABAIWWIYSA-N 1 1 344.415 0.965 10 0 ECAEMO CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000150783920 436691314 /nfs/dbraw/zinc/69/13/14/436691314.db2.gz SGSMODLWGZNJQY-WFASDCNBSA-N 1 1 346.431 0.830 10 0 ECAEMO CCCCOC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000195182922 436681835 /nfs/dbraw/zinc/68/18/35/436681835.db2.gz QUIDJTQYZCJAAG-IRXDYDNUSA-N 1 1 341.496 0.793 10 0 ECAEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000195293076 436685117 /nfs/dbraw/zinc/68/51/17/436685117.db2.gz HNTKNKFZZOFUBO-HNNXBMFYSA-N 1 1 331.420 0.387 10 0 ECAEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC000195293076 436685120 /nfs/dbraw/zinc/68/51/20/436685120.db2.gz HNTKNKFZZOFUBO-HNNXBMFYSA-N 1 1 331.420 0.387 10 0 ECAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC000195293076 436685125 /nfs/dbraw/zinc/68/51/25/436685125.db2.gz HNTKNKFZZOFUBO-HNNXBMFYSA-N 1 1 331.420 0.387 10 0 ECAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000153428771 436756629 /nfs/dbraw/zinc/75/66/29/436756629.db2.gz WOMHPGBWHLNHHY-AWEZNQCLSA-N 1 1 331.482 0.937 10 0 ECAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000153889729 436766054 /nfs/dbraw/zinc/76/60/54/436766054.db2.gz UOHHOVXEVMXOPK-PWSUYJOCSA-N 1 1 330.392 0.287 10 0 ECAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cnc(N4CCN(C)CC4)nc3)C2)cn1 ZINC000128479460 436817542 /nfs/dbraw/zinc/81/75/42/436817542.db2.gz QVAANUXHPLCIPZ-INIZCTEOSA-N 1 1 341.463 0.951 10 0 ECAEMO Cn1cc([C@@H]2CC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)cn1 ZINC000246179536 436775170 /nfs/dbraw/zinc/77/51/70/436775170.db2.gz GYKJHKHCKHCGSC-ZIAGYGMSSA-N 1 1 326.466 0.881 10 0 ECAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CC[N@@H+]1C[C@H](C)O ZINC000246477904 436778721 /nfs/dbraw/zinc/77/87/21/436778721.db2.gz QLIKRXMLBPYNID-JSGCOSHPSA-N 1 1 337.424 0.145 10 0 ECAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CC[N@H+]1C[C@H](C)O ZINC000246477904 436778722 /nfs/dbraw/zinc/77/87/22/436778722.db2.gz QLIKRXMLBPYNID-JSGCOSHPSA-N 1 1 337.424 0.145 10 0 ECAEMO CCOCC[N@H+]1CCN(CCc2cn(CC(=O)OC)nn2)C[C@H]1C ZINC000246528255 436781021 /nfs/dbraw/zinc/78/10/21/436781021.db2.gz VPKWYPQMLMDMKO-CQSZACIVSA-N 1 1 339.440 0.036 10 0 ECAEMO CCOCCN1CC[N@H+](CCc2cn(CC(=O)OC)nn2)C[C@H]1C ZINC000246528255 436781028 /nfs/dbraw/zinc/78/10/28/436781028.db2.gz VPKWYPQMLMDMKO-CQSZACIVSA-N 1 1 339.440 0.036 10 0 ECAEMO CCOCCN1CC[N@@H+](CCc2cn(CC(=O)OC)nn2)C[C@H]1C ZINC000246528255 436781031 /nfs/dbraw/zinc/78/10/31/436781031.db2.gz VPKWYPQMLMDMKO-CQSZACIVSA-N 1 1 339.440 0.036 10 0 ECAEMO CC[C@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)CC[N@H+]1C[C@H](C)O ZINC000248458750 436803434 /nfs/dbraw/zinc/80/34/34/436803434.db2.gz QPUAGQKCRPYDCN-BBRMVZONSA-N 1 1 348.447 0.772 10 0 ECAEMO CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CCN1C[C@H](C)O ZINC000248487771 436803780 /nfs/dbraw/zinc/80/37/80/436803780.db2.gz LZDLAILDZWVFBJ-QLFBSQMISA-N 1 1 326.485 0.956 10 0 ECAEMO CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CCN1C[C@H](C)O ZINC000248487771 436803782 /nfs/dbraw/zinc/80/37/82/436803782.db2.gz LZDLAILDZWVFBJ-QLFBSQMISA-N 1 1 326.485 0.956 10 0 ECAEMO O[C@H](COC1CCOCC1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000127518302 436803790 /nfs/dbraw/zinc/80/37/90/436803790.db2.gz QFDUBCXTZJEOOL-GOEBONIOSA-N 1 1 325.409 0.140 10 0 ECAEMO O[C@H](COC1CCOCC1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000127518302 436803792 /nfs/dbraw/zinc/80/37/92/436803792.db2.gz QFDUBCXTZJEOOL-GOEBONIOSA-N 1 1 325.409 0.140 10 0 ECAEMO CC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248448218 436804265 /nfs/dbraw/zinc/80/42/65/436804265.db2.gz HIUGVEZOMYLZOO-JKSUJKDBSA-N 1 1 342.484 0.195 10 0 ECAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000155795604 436804527 /nfs/dbraw/zinc/80/45/27/436804527.db2.gz HTVPKFVCVOYCDV-HNNXBMFYSA-N 1 1 333.436 0.464 10 0 ECAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000155795604 436804532 /nfs/dbraw/zinc/80/45/32/436804532.db2.gz HTVPKFVCVOYCDV-HNNXBMFYSA-N 1 1 333.436 0.464 10 0 ECAEMO Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000155915786 436805186 /nfs/dbraw/zinc/80/51/86/436805186.db2.gz YWFGFPXSIULAHN-STQMWFEESA-N 1 1 337.445 0.951 10 0 ECAEMO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@H](Cn3cccn3)C2)C1 ZINC000131491811 436853809 /nfs/dbraw/zinc/85/38/09/436853809.db2.gz PZPQZXVKGWAPAR-GJZGRUSLSA-N 1 1 342.465 0.256 10 0 ECAEMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](Cn3cccn3)C2)C1 ZINC000131491811 436853811 /nfs/dbraw/zinc/85/38/11/436853811.db2.gz PZPQZXVKGWAPAR-GJZGRUSLSA-N 1 1 342.465 0.256 10 0 ECAEMO CC(C)C[N@H+]1CC[C@H](c2nnc3n2CCN(C(=O)CCO)CC3)C1 ZINC000257190385 436857409 /nfs/dbraw/zinc/85/74/09/436857409.db2.gz MHUYGOUOTRHWAC-AWEZNQCLSA-N 1 1 335.452 0.491 10 0 ECAEMO Nc1ccnc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000135055928 436908537 /nfs/dbraw/zinc/90/85/37/436908537.db2.gz QNMPLOROPMMLTR-OAHLLOKOSA-N 1 1 343.431 0.616 10 0 ECAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000171351050 436978500 /nfs/dbraw/zinc/97/85/00/436978500.db2.gz LLIOFXAQUVAFMK-NSHDSACASA-N 1 1 336.367 0.464 10 0 ECAEMO CCOCC[N@@H+]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1C ZINC000164766705 436932255 /nfs/dbraw/zinc/93/22/55/436932255.db2.gz BFKFMICFOGRCLJ-GFCCVEGCSA-N 1 1 336.436 0.580 10 0 ECAEMO CCOCC[N@H+]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1C ZINC000164766705 436932258 /nfs/dbraw/zinc/93/22/58/436932258.db2.gz BFKFMICFOGRCLJ-GFCCVEGCSA-N 1 1 336.436 0.580 10 0 ECAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN([C@@H](C)C(=O)[O-])C2CC2)C1 ZINC000263186670 436954321 /nfs/dbraw/zinc/95/43/21/436954321.db2.gz UYKLWEZIBIMYFP-ZFWWWQNUSA-N 1 1 341.452 0.397 10 0 ECAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000172245475 437005500 /nfs/dbraw/zinc/00/55/00/437005500.db2.gz OIWMMWSONPYHGB-LSDHHAIUSA-N 1 1 337.468 0.029 10 0 ECAEMO COCC[N@@H+]1CCN(C(=O)NCCN2CCOC(C)(C)C2)C[C@@H]1C ZINC000172333557 437010171 /nfs/dbraw/zinc/01/01/71/437010171.db2.gz VAWGQIOIEDIOPX-HNNXBMFYSA-N 1 1 342.484 0.459 10 0 ECAEMO COCC[N@H+]1CCN(C(=O)NCCN2CCOC(C)(C)C2)C[C@@H]1C ZINC000172333557 437010173 /nfs/dbraw/zinc/01/01/73/437010173.db2.gz VAWGQIOIEDIOPX-HNNXBMFYSA-N 1 1 342.484 0.459 10 0 ECAEMO COCC[N@@H+]1CCN(C(=O)NCCN2CCOC(C)(C)C2)C[C@H]1C ZINC000172333554 437010244 /nfs/dbraw/zinc/01/02/44/437010244.db2.gz VAWGQIOIEDIOPX-OAHLLOKOSA-N 1 1 342.484 0.459 10 0 ECAEMO COCC[N@H+]1CCN(C(=O)NCCN2CCOC(C)(C)C2)C[C@H]1C ZINC000172333554 437010247 /nfs/dbraw/zinc/01/02/47/437010247.db2.gz VAWGQIOIEDIOPX-OAHLLOKOSA-N 1 1 342.484 0.459 10 0 ECAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000172413251 437014690 /nfs/dbraw/zinc/01/46/90/437014690.db2.gz IMGIGGJHFQJEKQ-LBPRGKRZSA-N 1 1 328.438 0.837 10 0 ECAEMO CC(C)CCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173879689 437065732 /nfs/dbraw/zinc/06/57/32/437065732.db2.gz GLOYLLTZEJTIFO-HUUCEWRRSA-N 1 1 325.453 0.718 10 0 ECAEMO CC[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)CC[N@H+]1C[C@@H](C)O ZINC000174592670 437082945 /nfs/dbraw/zinc/08/29/45/437082945.db2.gz WBQHZIZKODQIOD-ZIAGYGMSSA-N 1 1 327.469 0.842 10 0 ECAEMO COCC[N@H+]1CCN(C(=O)CCSc2n[nH]c(C)n2)C[C@@H]1C ZINC000174953471 437092429 /nfs/dbraw/zinc/09/24/29/437092429.db2.gz QURULXXWQBXUSE-NSHDSACASA-N 1 1 327.454 0.774 10 0 ECAEMO C[C@@H]1C[N@@H+](CCN(C)c2cc(N3CCC[C@H]3CO)ncn2)C[C@H](C)O1 ZINC000302866814 437150613 /nfs/dbraw/zinc/15/06/13/437150613.db2.gz VSQMZYAPXLGJRC-XHSDSOJGSA-N 1 1 349.479 0.983 10 0 ECAEMO C[C@@H]1C[N@H+](CCN(C)c2cc(N3CCC[C@H]3CO)ncn2)C[C@H](C)O1 ZINC000302866814 437150620 /nfs/dbraw/zinc/15/06/20/437150620.db2.gz VSQMZYAPXLGJRC-XHSDSOJGSA-N 1 1 349.479 0.983 10 0 ECAEMO C[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177219620 437172588 /nfs/dbraw/zinc/17/25/88/437172588.db2.gz NRBCSZOFFXYQIM-ZBFHGGJFSA-N 1 1 346.431 0.987 10 0 ECAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC(=O)N1CCOCC1 ZINC000177386930 437181932 /nfs/dbraw/zinc/18/19/32/437181932.db2.gz USYYCDDZIBSOBS-AWEZNQCLSA-N 1 1 326.441 0.361 10 0 ECAEMO O=C(Nc1ccc2c(c1)CC(=O)N2)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177401790 437182660 /nfs/dbraw/zinc/18/26/60/437182660.db2.gz RMXKJNCSGMYWPA-CQSZACIVSA-N 1 1 342.399 0.816 10 0 ECAEMO O=C(Nc1ccc2c(c1)CC(=O)N2)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177401790 437182665 /nfs/dbraw/zinc/18/26/65/437182665.db2.gz RMXKJNCSGMYWPA-CQSZACIVSA-N 1 1 342.399 0.816 10 0 ECAEMO O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177682582 437194764 /nfs/dbraw/zinc/19/47/64/437194764.db2.gz KFRQEDVWRCGGFM-HNNXBMFYSA-N 1 1 340.387 0.512 10 0 ECAEMO NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000177684939 437196468 /nfs/dbraw/zinc/19/64/68/437196468.db2.gz XOAYXKLWTXDOGN-NSHDSACASA-N 1 1 334.351 0.170 10 0 ECAEMO CCOC(=O)C1CCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000177768884 437197774 /nfs/dbraw/zinc/19/77/74/437197774.db2.gz OYYPHKQMUDRZQF-MRXNPFEDSA-N 1 1 337.464 0.958 10 0 ECAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NCCc1nc2ccccc2s1 ZINC000179178930 437254893 /nfs/dbraw/zinc/25/48/93/437254893.db2.gz VPUABUVUEOXDIP-VXGBXAGGSA-N 1 1 335.429 0.383 10 0 ECAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NCCc1nc2ccccc2s1 ZINC000179178930 437254898 /nfs/dbraw/zinc/25/48/98/437254898.db2.gz VPUABUVUEOXDIP-VXGBXAGGSA-N 1 1 335.429 0.383 10 0 ECAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCCCN1CCCC1=O ZINC000180835365 437303869 /nfs/dbraw/zinc/30/38/69/437303869.db2.gz WZESRAHJHYFTDN-JKSUJKDBSA-N 1 1 336.480 0.674 10 0 ECAEMO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1F ZINC000180680949 437298228 /nfs/dbraw/zinc/29/82/28/437298228.db2.gz KAKXEUQKEKSBBO-CHWSQXEVSA-N 1 1 337.395 0.986 10 0 ECAEMO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1F ZINC000180680949 437298232 /nfs/dbraw/zinc/29/82/32/437298232.db2.gz KAKXEUQKEKSBBO-CHWSQXEVSA-N 1 1 337.395 0.986 10 0 ECAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCC2CCN(C(C)=O)CC2)CC1 ZINC000181718699 437327614 /nfs/dbraw/zinc/32/76/14/437327614.db2.gz WQUOQIKWVZFOHK-MRXNPFEDSA-N 1 1 340.468 0.343 10 0 ECAEMO CCOCC[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@H]1CC ZINC000183775604 437391270 /nfs/dbraw/zinc/39/12/70/437391270.db2.gz ATKGSWDMQXBNBP-OAHLLOKOSA-N 1 1 340.468 0.655 10 0 ECAEMO CN(C)c1noc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000185258231 437432646 /nfs/dbraw/zinc/43/26/46/437432646.db2.gz DKCZEMHLLUUIHR-OAHLLOKOSA-N 1 1 331.420 0.987 10 0 ECAEMO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185557038 437443908 /nfs/dbraw/zinc/44/39/08/437443908.db2.gz SDQCIDSICRADON-ZDUSSCGKSA-N 1 1 336.440 0.995 10 0 ECAEMO CCOC(=O)c1nn(C)cc1CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000186261939 437468446 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CCOCCN1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1CC ZINC000179513716 437267763 /nfs/dbraw/zinc/26/77/63/437267763.db2.gz RGVVUWBUSHGYMW-OAHLLOKOSA-N 1 1 338.452 0.017 10 0 ECAEMO CCN(Cc1nnc(C)o1)[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)C[C@H]1O ZINC000328648987 437245723 /nfs/dbraw/zinc/24/57/23/437245723.db2.gz UVNYMYJQXJEBIW-HUUCEWRRSA-N 1 1 334.424 0.785 10 0 ECAEMO CCN(Cc1nnc(C)o1)[C@@H]1C[N@@H+](Cc2c(C)n[nH]c2C)C[C@H]1O ZINC000328648987 437245726 /nfs/dbraw/zinc/24/57/26/437245726.db2.gz UVNYMYJQXJEBIW-HUUCEWRRSA-N 1 1 334.424 0.785 10 0 ECAEMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCn2cc(C)cn2)[C@H](C)C1 ZINC000180984199 437308457 /nfs/dbraw/zinc/30/84/57/437308457.db2.gz RMKZGAGJEPAOHX-CQSZACIVSA-N 1 1 337.424 0.470 10 0 ECAEMO COC(=O)CC[N@H+]1CCN(C(=O)NCCn2cc(C)cn2)[C@H](C)C1 ZINC000180984199 437308462 /nfs/dbraw/zinc/30/84/62/437308462.db2.gz RMKZGAGJEPAOHX-CQSZACIVSA-N 1 1 337.424 0.470 10 0 ECAEMO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1C ZINC000181194023 437312504 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