smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CNC(=O)CN1CC[NH+](CCO)CC1)[NH+]1CCOCC1 ZINC000022943633 374262247 /nfs/dbraw/zinc/26/22/47/374262247.db2.gz UKTICSAVSZBMND-UHFFFAOYSA-N 2 2 328.457 -1.177 20 0 EAADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000042950566 375253246 /nfs/dbraw/zinc/25/32/46/375253246.db2.gz WMMNKVJMIRFPAY-UHFFFAOYSA-N 2 2 327.429 -1.218 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000047618135 374273804 /nfs/dbraw/zinc/27/38/04/374273804.db2.gz RRUWKWFTIRETKU-UHFFFAOYSA-N 2 2 327.429 -1.172 20 0 EAADLP CCNC(=O)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768628 374593498 /nfs/dbraw/zinc/59/34/98/374593498.db2.gz GAJIFPLXOMRZQD-UHFFFAOYSA-N 2 2 347.485 -1.378 20 0 EAADLP Cn1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000093047108 375047595 /nfs/dbraw/zinc/04/75/95/375047595.db2.gz OTXGMFYRDYQEQP-UHFFFAOYSA-N 2 2 349.435 -1.176 20 0 EAADLP CN(C)C(=O)C[N@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093158869 374379724 /nfs/dbraw/zinc/37/97/24/374379724.db2.gz ADAIVPJKEJTSEL-UHFFFAOYSA-N 2 2 325.457 -1.144 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093158869 374379719 /nfs/dbraw/zinc/37/97/19/374379719.db2.gz ADAIVPJKEJTSEL-UHFFFAOYSA-N 2 2 325.457 -1.144 20 0 EAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)CC1 ZINC000093204678 374379618 /nfs/dbraw/zinc/37/96/18/374379618.db2.gz NMROFKZUSCWTLT-ZDUSSCGKSA-N 2 2 330.454 -1.084 20 0 EAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)CC1 ZINC000093204678 374379615 /nfs/dbraw/zinc/37/96/15/374379615.db2.gz NMROFKZUSCWTLT-ZDUSSCGKSA-N 2 2 330.454 -1.084 20 0 EAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)CC1 ZINC000093204679 374379194 /nfs/dbraw/zinc/37/91/94/374379194.db2.gz NMROFKZUSCWTLT-CYBMUJFWSA-N 2 2 330.454 -1.084 20 0 EAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)CC1 ZINC000093204679 374379186 /nfs/dbraw/zinc/37/91/86/374379186.db2.gz NMROFKZUSCWTLT-CYBMUJFWSA-N 2 2 330.454 -1.084 20 0 EAADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(=O)n(C)c1=O ZINC000093821330 374338744 /nfs/dbraw/zinc/33/87/44/374338744.db2.gz CLLATPJMGUGDAJ-AWEZNQCLSA-N 2 2 349.435 -1.178 20 0 EAADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000093821330 374338740 /nfs/dbraw/zinc/33/87/40/374338740.db2.gz CLLATPJMGUGDAJ-AWEZNQCLSA-N 2 2 349.435 -1.178 20 0 EAADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(=O)n(C)c1=O ZINC000093821331 265281285 /nfs/dbraw/zinc/28/12/85/265281285.db2.gz CLLATPJMGUGDAJ-CQSZACIVSA-N 2 2 349.435 -1.178 20 0 EAADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000103168805 414861894 /nfs/dbraw/zinc/86/18/94/414861894.db2.gz SQYLKSHDBVKZSU-INIZCTEOSA-N 2 2 340.468 -1.081 20 0 EAADLP O=C(C[NH+]1CCCC1)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000103168805 414861890 /nfs/dbraw/zinc/86/18/90/414861890.db2.gz SQYLKSHDBVKZSU-INIZCTEOSA-N 2 2 340.468 -1.081 20 0 EAADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000103168809 414861558 /nfs/dbraw/zinc/86/15/58/414861558.db2.gz SQYLKSHDBVKZSU-MRXNPFEDSA-N 2 2 340.468 -1.081 20 0 EAADLP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000103168809 414861554 /nfs/dbraw/zinc/86/15/54/414861554.db2.gz SQYLKSHDBVKZSU-MRXNPFEDSA-N 2 2 340.468 -1.081 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CCO)CC1 ZINC000123987971 415162308 /nfs/dbraw/zinc/16/23/08/415162308.db2.gz ORDJAYJSBDLXNJ-UHFFFAOYSA-N 2 2 333.396 -1.064 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CCO)CC1 ZINC000123987971 415162278 /nfs/dbraw/zinc/16/22/78/415162278.db2.gz ORDJAYJSBDLXNJ-UHFFFAOYSA-N 2 2 333.396 -1.064 20 0 EAADLP OCC[NH+]1CCN(c2cc(N3CC[NH+](CCO)CC3)ncn2)CC1 ZINC000157502673 374405900 /nfs/dbraw/zinc/40/59/00/374405900.db2.gz BICUESSGTMNAKB-UHFFFAOYSA-N 2 2 336.440 -1.295 20 0 EAADLP Cn1c2ncn(CC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2c(=O)n(C)c1=O ZINC000162517309 374848892 /nfs/dbraw/zinc/84/88/92/374848892.db2.gz ZWFISAGBSMDKAJ-JTQLQIEISA-N 2 2 349.395 -2.465 20 0 EAADLP Cn1c2ncn(CC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2c(=O)n(C)c1=O ZINC000162517477 374849768 /nfs/dbraw/zinc/84/97/68/374849768.db2.gz ZWFISAGBSMDKAJ-SNVBAGLBSA-N 2 2 349.395 -2.465 20 0 EAADLP C[N@H+]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H](C[NH3+])C1 ZINC000162538540 374852163 /nfs/dbraw/zinc/85/21/63/374852163.db2.gz FSEHFOSMYYLEPF-LLVKDONJSA-N 2 2 331.376 -1.209 20 0 EAADLP C[N@@H+]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H](C[NH3+])C1 ZINC000162538540 374852160 /nfs/dbraw/zinc/85/21/60/374852160.db2.gz FSEHFOSMYYLEPF-LLVKDONJSA-N 2 2 331.376 -1.209 20 0 EAADLP C[N@H+]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@@H](C[NH3+])C1 ZINC000162538670 374852114 /nfs/dbraw/zinc/85/21/14/374852114.db2.gz FSEHFOSMYYLEPF-NSHDSACASA-N 2 2 331.376 -1.209 20 0 EAADLP C[N@@H+]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@@H](C[NH3+])C1 ZINC000162538670 374852111 /nfs/dbraw/zinc/85/21/11/374852111.db2.gz FSEHFOSMYYLEPF-NSHDSACASA-N 2 2 331.376 -1.209 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000162737121 265152064 /nfs/dbraw/zinc/15/20/64/265152064.db2.gz DDGKLQPWJBTZRI-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000162737121 265152062 /nfs/dbraw/zinc/15/20/62/265152062.db2.gz DDGKLQPWJBTZRI-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000162737121 265152060 /nfs/dbraw/zinc/15/20/60/265152060.db2.gz DDGKLQPWJBTZRI-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000162737242 415314787 /nfs/dbraw/zinc/31/47/87/415314787.db2.gz DDGKLQPWJBTZRI-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000162737242 415314778 /nfs/dbraw/zinc/31/47/78/415314778.db2.gz DDGKLQPWJBTZRI-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000162737242 415314771 /nfs/dbraw/zinc/31/47/71/415314771.db2.gz DDGKLQPWJBTZRI-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000162737242 415314758 /nfs/dbraw/zinc/31/47/58/415314758.db2.gz DDGKLQPWJBTZRI-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170369039 414854393 /nfs/dbraw/zinc/85/43/93/414854393.db2.gz ZSGFXSRRHMHEKU-UHFFFAOYSA-N 2 2 346.435 -1.248 20 0 EAADLP O=C1NC[C@@H]2C[N@@H+](C/C=C/C[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175896655 374810649 /nfs/dbraw/zinc/81/06/49/374810649.db2.gz OYBHBNKWONJDQE-CZMZKRSCSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[N@H+](C/C=C/C[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175896655 374810641 /nfs/dbraw/zinc/81/06/41/374810641.db2.gz OYBHBNKWONJDQE-CZMZKRSCSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C/C[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175896655 374810633 /nfs/dbraw/zinc/81/06/33/374810633.db2.gz OYBHBNKWONJDQE-CZMZKRSCSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C/C[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175896655 374810619 /nfs/dbraw/zinc/81/06/19/374810619.db2.gz OYBHBNKWONJDQE-CZMZKRSCSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C/C[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175896676 265238066 /nfs/dbraw/zinc/23/80/66/265238066.db2.gz OYBHBNKWONJDQE-GEYXIOIISA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C/C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175896676 265238064 /nfs/dbraw/zinc/23/80/64/265238064.db2.gz OYBHBNKWONJDQE-GEYXIOIISA-N 2 2 334.424 -1.039 20 0 EAADLP Cn1c(=O)ccn(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1=O ZINC000177120699 374418999 /nfs/dbraw/zinc/41/89/99/374418999.db2.gz NMCUYPVVDPOYAW-UHFFFAOYSA-N 2 2 337.424 -1.311 20 0 EAADLP CN(CC[N@@H+](C)CC(=O)N1CCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000177383976 375120487 /nfs/dbraw/zinc/12/04/87/375120487.db2.gz ZMGOLVKQIOKYQJ-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP CN(CC[N@H+](C)CC(=O)N1CCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000177383976 375120480 /nfs/dbraw/zinc/12/04/80/375120480.db2.gz ZMGOLVKQIOKYQJ-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCNC(=O)C1 ZINC000177383976 375120471 /nfs/dbraw/zinc/12/04/71/375120471.db2.gz ZMGOLVKQIOKYQJ-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCNC(=O)C1 ZINC000177383976 375120462 /nfs/dbraw/zinc/12/04/62/375120462.db2.gz ZMGOLVKQIOKYQJ-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000178804368 668786293 /nfs/dbraw/zinc/78/62/93/668786293.db2.gz BKUUEXACKBDFEM-DOMZBBRYSA-N 2 2 328.388 -1.263 20 0 EAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000178804376 668420435 /nfs/dbraw/zinc/42/04/35/668420435.db2.gz BKUUEXACKBDFEM-IUODEOHRSA-N 2 2 328.388 -1.263 20 0 EAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000178804385 668786391 /nfs/dbraw/zinc/78/63/91/668786391.db2.gz BKUUEXACKBDFEM-WFASDCNBSA-N 2 2 328.388 -1.263 20 0 EAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000178804396 668786412 /nfs/dbraw/zinc/78/64/12/668786412.db2.gz BKUUEXACKBDFEM-SWLSCSKDSA-N 2 2 328.388 -1.263 20 0 EAADLP COCCN1CC[NH+](CC(O)CN2CC[NH+](CCOC)CC2)CC1 ZINC000181776883 686367502 /nfs/dbraw/zinc/36/75/02/686367502.db2.gz LKDWHKIWSAFYCB-UHFFFAOYSA-N 2 2 344.500 -1.125 20 0 EAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188777108 265012581 /nfs/dbraw/zinc/01/25/81/265012581.db2.gz GYPDXNGKJXTKJF-YNEHKIRRSA-N 2 2 328.388 -1.264 20 0 EAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188777130 265429186 /nfs/dbraw/zinc/42/91/86/265429186.db2.gz GYPDXNGKJXTKJF-RWMBFGLXSA-N 2 2 328.388 -1.264 20 0 EAADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000190291001 415025935 /nfs/dbraw/zinc/02/59/35/415025935.db2.gz AZFATZLENXHMDJ-LLVKDONJSA-N 2 2 334.367 -1.123 20 0 EAADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000190291018 374686243 /nfs/dbraw/zinc/68/62/43/374686243.db2.gz AZFATZLENXHMDJ-NSHDSACASA-N 2 2 334.367 -1.123 20 0 EAADLP C[NH+](CCN1CCOCC1)CC(O)C[N@@H+](C)CCN1CCOCC1 ZINC000194475222 415219398 /nfs/dbraw/zinc/21/93/98/415219398.db2.gz QXYCZKHVKKJYJH-UHFFFAOYSA-N 2 2 344.500 -1.125 20 0 EAADLP C[NH+](CCN1CCOCC1)CC(O)C[N@H+](C)CCN1CCOCC1 ZINC000194475222 415219396 /nfs/dbraw/zinc/21/93/96/415219396.db2.gz QXYCZKHVKKJYJH-UHFFFAOYSA-N 2 2 344.500 -1.125 20 0 EAADLP CN(CC[NH+]1CCOCC1)CC(O)C[N@@H+](C)CCN1CCOCC1 ZINC000194475222 415219394 /nfs/dbraw/zinc/21/93/94/415219394.db2.gz QXYCZKHVKKJYJH-UHFFFAOYSA-N 2 2 344.500 -1.125 20 0 EAADLP CN(CC[NH+]1CCOCC1)CC(O)C[N@H+](C)CCN1CCOCC1 ZINC000194475222 415219391 /nfs/dbraw/zinc/21/93/91/415219391.db2.gz QXYCZKHVKKJYJH-UHFFFAOYSA-N 2 2 344.500 -1.125 20 0 EAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195226826 265079601 /nfs/dbraw/zinc/07/96/01/265079601.db2.gz FKIHHUNICCYPFU-KFWWJZLASA-N 2 2 336.436 -1.155 20 0 EAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195226835 264878647 /nfs/dbraw/zinc/87/86/47/264878647.db2.gz FKIHHUNICCYPFU-SOUVJXGZSA-N 2 2 336.436 -1.155 20 0 EAADLP CC[NH+]1CCN(CCCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236875276 415262146 /nfs/dbraw/zinc/26/21/46/415262146.db2.gz UNWYNPPLNWUPEE-UHFFFAOYSA-N 2 2 325.457 -1.048 20 0 EAADLP CCN1CC[NH+](CCCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236875276 415262134 /nfs/dbraw/zinc/26/21/34/415262134.db2.gz UNWYNPPLNWUPEE-UHFFFAOYSA-N 2 2 325.457 -1.048 20 0 EAADLP C[NH+]1CCN(c2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cn2)CC1 ZINC000237032928 265234407 /nfs/dbraw/zinc/23/44/07/265234407.db2.gz UUDXYRUTWMFLLH-UHFFFAOYSA-N 2 2 346.435 -1.119 20 0 EAADLP C[NH+](C)CCN1CCC(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237155948 415264541 /nfs/dbraw/zinc/26/45/41/415264541.db2.gz ASSFZJILIYJUHO-UHFFFAOYSA-N 2 2 325.457 -1.192 20 0 EAADLP CN(C)CC[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237155948 415264530 /nfs/dbraw/zinc/26/45/30/415264530.db2.gz ASSFZJILIYJUHO-UHFFFAOYSA-N 2 2 325.457 -1.192 20 0 EAADLP C[NH+]1CCN(C(=O)C[C@@]2(C(=O)N3CC[NH+](C)CC3)CC[NH2+]C2)CC1 ZINC000237192951 265140109 /nfs/dbraw/zinc/14/01/09/265140109.db2.gz OCLPDUJAOKNWGY-KRWDZBQOSA-N 3 2 337.468 -1.096 20 0 EAADLP C[NH+]1CCN(C(=O)C[C@]2(C(=O)N3CC[NH+](C)CC3)CC[NH2+]C2)CC1 ZINC000237193100 414848217 /nfs/dbraw/zinc/84/82/17/414848217.db2.gz OCLPDUJAOKNWGY-QGZVFWFLSA-N 3 2 337.468 -1.096 20 0 EAADLP C[NH+]1CCN(c2cc(CNC(=O)CN3CC[NH2+]CC3=O)ccn2)CC1 ZINC000237238141 374265377 /nfs/dbraw/zinc/26/53/77/374265377.db2.gz MQWBHTYVRBLFIV-UHFFFAOYSA-N 2 2 346.435 -1.119 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000247942533 265070304 /nfs/dbraw/zinc/07/03/04/265070304.db2.gz DDGKLQPWJBTZRI-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000247942533 265070301 /nfs/dbraw/zinc/07/03/01/265070301.db2.gz DDGKLQPWJBTZRI-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000247942533 265070299 /nfs/dbraw/zinc/07/02/99/265070299.db2.gz DDGKLQPWJBTZRI-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000247942538 265171014 /nfs/dbraw/zinc/17/10/14/265171014.db2.gz DDGKLQPWJBTZRI-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000247942538 265171010 /nfs/dbraw/zinc/17/10/10/265171010.db2.gz DDGKLQPWJBTZRI-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000247942538 265171007 /nfs/dbraw/zinc/17/10/07/265171007.db2.gz DDGKLQPWJBTZRI-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C\C[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000255529273 415170760 /nfs/dbraw/zinc/17/07/60/415170760.db2.gz OYBHBNKWONJDQE-KOMGFDSOSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C\C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000255529273 415170752 /nfs/dbraw/zinc/17/07/52/415170752.db2.gz OYBHBNKWONJDQE-KOMGFDSOSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[N@@H+](C/C=C\C[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000255529275 265082580 /nfs/dbraw/zinc/08/25/80/265082580.db2.gz OYBHBNKWONJDQE-YZRRVPADSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[N@H+](C/C=C\C[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000255529275 265082578 /nfs/dbraw/zinc/08/25/78/265082578.db2.gz OYBHBNKWONJDQE-YZRRVPADSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C\C[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000255529275 265082575 /nfs/dbraw/zinc/08/25/75/265082575.db2.gz OYBHBNKWONJDQE-YZRRVPADSA-N 2 2 334.424 -1.039 20 0 EAADLP O=C1NC[C@@H]2C[NH+](C/C=C\C[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000255529275 265082571 /nfs/dbraw/zinc/08/25/71/265082571.db2.gz OYBHBNKWONJDQE-YZRRVPADSA-N 2 2 334.424 -1.039 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000261663346 374845324 /nfs/dbraw/zinc/84/53/24/374845324.db2.gz GIIIUGKWCODEMD-UHFFFAOYSA-N 2 2 344.423 -1.083 20 0 EAADLP C[C@@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000261668925 668320680 /nfs/dbraw/zinc/32/06/80/668320680.db2.gz ALUWTXNXPYMJKH-GFCCVEGCSA-N 2 2 333.458 -1.640 20 0 EAADLP C[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000261668927 415173966 /nfs/dbraw/zinc/17/39/66/415173966.db2.gz ALUWTXNXPYMJKH-LBPRGKRZSA-N 2 2 333.458 -1.640 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261698767 415175741 /nfs/dbraw/zinc/17/57/41/415175741.db2.gz HXPDGRALSDAJLY-INIZCTEOSA-N 2 2 325.457 -1.111 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261698767 415175735 /nfs/dbraw/zinc/17/57/35/415175735.db2.gz HXPDGRALSDAJLY-INIZCTEOSA-N 2 2 325.457 -1.111 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261698770 415174379 /nfs/dbraw/zinc/17/43/79/415174379.db2.gz HXPDGRALSDAJLY-MRXNPFEDSA-N 2 2 325.457 -1.111 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261698770 415174372 /nfs/dbraw/zinc/17/43/72/415174372.db2.gz HXPDGRALSDAJLY-MRXNPFEDSA-N 2 2 325.457 -1.111 20 0 EAADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261759632 415280818 /nfs/dbraw/zinc/28/08/18/415280818.db2.gz PRVUJGZTFMGEII-UHFFFAOYSA-N 2 2 325.413 -1.959 20 0 EAADLP CC(=O)N1CCN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261759632 415280808 /nfs/dbraw/zinc/28/08/08/415280808.db2.gz PRVUJGZTFMGEII-UHFFFAOYSA-N 2 2 325.413 -1.959 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261762552 265276955 /nfs/dbraw/zinc/27/69/55/265276955.db2.gz FJFAXIYSUDQVJP-JTQLQIEISA-N 2 2 337.346 -1.630 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261762554 264700862 /nfs/dbraw/zinc/70/08/62/264700862.db2.gz FJFAXIYSUDQVJP-SNVBAGLBSA-N 2 2 337.346 -1.630 20 0 EAADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000261811530 415173573 /nfs/dbraw/zinc/17/35/73/415173573.db2.gz OTEYQMIAGVUMNI-MCIONIFRSA-N 2 2 340.424 -1.458 20 0 EAADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000261811532 374843930 /nfs/dbraw/zinc/84/39/30/374843930.db2.gz OTEYQMIAGVUMNI-MJBXVCDLSA-N 2 2 340.424 -1.458 20 0 EAADLP C[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261850937 415176082 /nfs/dbraw/zinc/17/60/82/415176082.db2.gz OUOXCASLLSQRBR-GFCCVEGCSA-N 2 2 341.437 -1.003 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000261872553 265330449 /nfs/dbraw/zinc/33/04/49/265330449.db2.gz SOUCZRMTJXAIRX-CYBMUJFWSA-N 2 2 345.469 -1.625 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000261872554 415175591 /nfs/dbraw/zinc/17/55/91/415175591.db2.gz SOUCZRMTJXAIRX-ZDUSSCGKSA-N 2 2 345.469 -1.625 20 0 EAADLP COCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262069798 415176037 /nfs/dbraw/zinc/17/60/37/415176037.db2.gz CAMGJTMXCPEIEV-AWEZNQCLSA-N 2 2 342.440 -1.481 20 0 EAADLP COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262069800 415173206 /nfs/dbraw/zinc/17/32/06/415173206.db2.gz CAMGJTMXCPEIEV-CQSZACIVSA-N 2 2 342.440 -1.481 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CC3)CC2)CC1 ZINC000262095339 265358588 /nfs/dbraw/zinc/35/85/88/265358588.db2.gz BKVAWFOTLHEPOE-UHFFFAOYSA-N 2 2 331.442 -1.886 20 0 EAADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262109145 265002962 /nfs/dbraw/zinc/00/29/62/265002962.db2.gz FFYJJGXBCOZIGY-HZSPNIEDSA-N 2 2 340.424 -2.136 20 0 EAADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262109148 265335783 /nfs/dbraw/zinc/33/57/83/265335783.db2.gz FFYJJGXBCOZIGY-IHRRRGAJSA-N 2 2 340.424 -2.136 20 0 EAADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262109152 265044468 /nfs/dbraw/zinc/04/44/68/265044468.db2.gz FFYJJGXBCOZIGY-MELADBBJSA-N 2 2 340.424 -2.136 20 0 EAADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262109155 265160774 /nfs/dbraw/zinc/16/07/74/265160774.db2.gz FFYJJGXBCOZIGY-RDBSUJKOSA-N 2 2 340.424 -2.136 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCC[NH3+])CC2)CC1 ZINC000262113126 414911462 /nfs/dbraw/zinc/91/14/62/414911462.db2.gz HJOQJRZJLSZTGQ-UHFFFAOYSA-N 2 2 333.458 -1.638 20 0 EAADLP CC(C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262147945 265321695 /nfs/dbraw/zinc/32/16/95/265321695.db2.gz QPCHCJUKEPMKIF-ZDUSSCGKSA-N 2 2 347.485 -1.394 20 0 EAADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000262212938 415174867 /nfs/dbraw/zinc/17/48/67/415174867.db2.gz YIIAPUIDKTXPEW-CYBMUJFWSA-N 2 2 339.440 -1.394 20 0 EAADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000262212940 265070373 /nfs/dbraw/zinc/07/03/73/265070373.db2.gz YIIAPUIDKTXPEW-ZDUSSCGKSA-N 2 2 339.440 -1.394 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3C[NH2+]C3)CC2)CC1 ZINC000262258731 415175417 /nfs/dbraw/zinc/17/54/17/415175417.db2.gz QSHKHGUBXFOLQO-UHFFFAOYSA-N 2 2 331.442 -2.158 20 0 EAADLP C[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262273026 265189384 /nfs/dbraw/zinc/18/93/84/265189384.db2.gz WBAZYIGBDWPVMW-GFCCVEGCSA-N 2 2 333.458 -1.782 20 0 EAADLP C[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262273029 415176151 /nfs/dbraw/zinc/17/61/51/415176151.db2.gz WBAZYIGBDWPVMW-LBPRGKRZSA-N 2 2 333.458 -1.782 20 0 EAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000262281467 415175775 /nfs/dbraw/zinc/17/57/75/415175775.db2.gz LTVBNFWDJCMZDS-CHWSQXEVSA-N 2 2 328.413 -1.648 20 0 EAADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000262281468 415173897 /nfs/dbraw/zinc/17/38/97/415173897.db2.gz LTVBNFWDJCMZDS-OLZOCXBDSA-N 2 2 328.413 -1.648 20 0 EAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000262281469 265247919 /nfs/dbraw/zinc/24/79/19/265247919.db2.gz LTVBNFWDJCMZDS-QWHCGFSZSA-N 2 2 328.413 -1.648 20 0 EAADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000262281470 415176062 /nfs/dbraw/zinc/17/60/62/415176062.db2.gz LTVBNFWDJCMZDS-STQMWFEESA-N 2 2 328.413 -1.648 20 0 EAADLP C[NH2+]CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262282425 265023826 /nfs/dbraw/zinc/02/38/26/265023826.db2.gz XHRGRHMQMBFERM-UHFFFAOYSA-N 2 2 333.458 -1.768 20 0 EAADLP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262334007 265121065 /nfs/dbraw/zinc/12/10/65/265121065.db2.gz HCMOUWFFJFBFBW-KBPBESRZSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262334010 374847377 /nfs/dbraw/zinc/84/73/77/374847377.db2.gz HCMOUWFFJFBFBW-KGLIPLIRSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262334012 374847712 /nfs/dbraw/zinc/84/77/12/374847712.db2.gz HCMOUWFFJFBFBW-UONOGXRCSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262334014 265164614 /nfs/dbraw/zinc/16/46/14/265164614.db2.gz HCMOUWFFJFBFBW-ZIAGYGMSSA-N 2 2 340.424 -1.586 20 0 EAADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262512390 415176162 /nfs/dbraw/zinc/17/61/62/415176162.db2.gz DUDZDEPQRZGJEK-CHWSQXEVSA-N 2 2 347.485 -1.394 20 0 EAADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000262512391 415175626 /nfs/dbraw/zinc/17/56/26/415175626.db2.gz DUDZDEPQRZGJEK-OLZOCXBDSA-N 2 2 347.485 -1.394 20 0 EAADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262512392 415175979 /nfs/dbraw/zinc/17/59/79/415175979.db2.gz DUDZDEPQRZGJEK-QWHCGFSZSA-N 2 2 347.485 -1.394 20 0 EAADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262512394 415175456 /nfs/dbraw/zinc/17/54/56/415175456.db2.gz DUDZDEPQRZGJEK-STQMWFEESA-N 2 2 347.485 -1.394 20 0 EAADLP C[NH2+]C[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262614256 265133770 /nfs/dbraw/zinc/13/37/70/265133770.db2.gz FJMJTCYOTZQGJY-CYBMUJFWSA-N 2 2 347.485 -1.522 20 0 EAADLP C[NH2+]C[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262614257 265391670 /nfs/dbraw/zinc/39/16/70/265391670.db2.gz FJMJTCYOTZQGJY-ZDUSSCGKSA-N 2 2 347.485 -1.522 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000262626940 265182792 /nfs/dbraw/zinc/18/27/92/265182792.db2.gz LHAUEGUGONIZOR-CYBMUJFWSA-N 2 2 345.469 -1.768 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000262628185 374846171 /nfs/dbraw/zinc/84/61/71/374846171.db2.gz LHAUEGUGONIZOR-ZDUSSCGKSA-N 2 2 345.469 -1.768 20 0 EAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CSC[NH2+]1 ZINC000262639117 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CC(=O)N1CC[NH+](CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263251438 265398024 /nfs/dbraw/zinc/39/80/24/265398024.db2.gz OUPFTLOLNNLZFV-AWEZNQCLSA-N 2 2 327.429 -1.634 20 0 EAADLP COC(=O)Cn1cc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)nn1 ZINC000269573231 374620534 /nfs/dbraw/zinc/62/05/34/374620534.db2.gz NEGFCKNIBJSJMF-UHFFFAOYSA-N 2 2 338.412 -1.301 20 0 EAADLP NC(=O)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269700661 265015276 /nfs/dbraw/zinc/01/52/76/265015276.db2.gz MALXQPATANZMGX-AWEZNQCLSA-N 2 2 347.419 -1.350 20 0 EAADLP NC(=O)C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269700665 374620079 /nfs/dbraw/zinc/62/00/79/374620079.db2.gz MALXQPATANZMGX-CQSZACIVSA-N 2 2 347.419 -1.350 20 0 EAADLP COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975399 265224690 /nfs/dbraw/zinc/22/46/90/265224690.db2.gz QKWBJHLWBOQRJO-LUKYLMHMSA-N 2 2 338.404 -1.230 20 0 EAADLP COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975399 265224671 /nfs/dbraw/zinc/22/46/71/265224671.db2.gz QKWBJHLWBOQRJO-LUKYLMHMSA-N 2 2 338.404 -1.230 20 0 EAADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975403 265027297 /nfs/dbraw/zinc/02/72/97/265027297.db2.gz QKWBJHLWBOQRJO-VQHPVUNQSA-N 2 2 338.404 -1.230 20 0 EAADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975403 265027295 /nfs/dbraw/zinc/02/72/95/265027295.db2.gz QKWBJHLWBOQRJO-VQHPVUNQSA-N 2 2 338.404 -1.230 20 0 EAADLP CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329030240 415060955 /nfs/dbraw/zinc/06/09/55/415060955.db2.gz PKBREMSWCVSTSG-KBPBESRZSA-N 2 2 342.440 -1.436 20 0 EAADLP CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329030240 415060948 /nfs/dbraw/zinc/06/09/48/415060948.db2.gz PKBREMSWCVSTSG-KBPBESRZSA-N 2 2 342.440 -1.436 20 0 EAADLP CN(CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329030242 265231938 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PKBREMSWCVSTSG-ZIAGYGMSSA-N 2 2 342.440 -1.436 20 0 EAADLP C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000329034174 415062363 /nfs/dbraw/zinc/06/23/63/415062363.db2.gz QRYVCTZZWHZRMQ-CABCVRRESA-N 2 2 328.457 -1.226 20 0 EAADLP C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000329034175 265328876 /nfs/dbraw/zinc/32/88/76/265328876.db2.gz QRYVCTZZWHZRMQ-GJZGRUSLSA-N 2 2 328.457 -1.226 20 0 EAADLP C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000329034176 415062205 /nfs/dbraw/zinc/06/22/05/415062205.db2.gz QRYVCTZZWHZRMQ-HUUCEWRRSA-N 2 2 328.457 -1.226 20 0 EAADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCNC(=O)C1 ZINC000329258331 264731716 /nfs/dbraw/zinc/73/17/16/264731716.db2.gz DITVSCSGNFKIHL-UHFFFAOYSA-N 2 2 340.424 -1.056 20 0 EAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000330422694 415013213 /nfs/dbraw/zinc/01/32/13/415013213.db2.gz SJYODZKVMPJWGF-AWEZNQCLSA-N 2 2 325.457 -1.097 20 0 EAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000330422695 265366385 /nfs/dbraw/zinc/36/63/85/265366385.db2.gz SJYODZKVMPJWGF-CQSZACIVSA-N 2 2 325.457 -1.097 20 0 EAADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330446104 265146802 /nfs/dbraw/zinc/14/68/02/265146802.db2.gz VOXBJZWSGSQHPY-UHFFFAOYSA-N 3 2 325.457 -1.144 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000331857340 415071731 /nfs/dbraw/zinc/07/17/31/415071731.db2.gz SEWNQVPRDWCMTE-CYBMUJFWSA-N 2 2 337.424 -1.817 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000331857351 415074013 /nfs/dbraw/zinc/07/40/13/415074013.db2.gz SEWNQVPRDWCMTE-ZDUSSCGKSA-N 2 2 337.424 -1.817 20 0 EAADLP [NH3+]CC(F)(F)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332003503 265171786 /nfs/dbraw/zinc/17/17/86/265171786.db2.gz RTGADKRUGRKMJG-UHFFFAOYSA-N 2 2 341.384 -1.791 20 0 EAADLP C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000332596805 415076177 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ZINC000347973336 265228609 /nfs/dbraw/zinc/22/86/09/265228609.db2.gz UEKHNTYZPYHWJE-OAHLLOKOSA-N 2 2 337.468 -1.097 20 0 EAADLP COC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000347999365 415051915 /nfs/dbraw/zinc/05/19/15/415051915.db2.gz TXBXJNBKXGDIII-CYBMUJFWSA-N 2 2 336.458 -1.897 20 0 EAADLP COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000347999366 415050918 /nfs/dbraw/zinc/05/09/18/415050918.db2.gz TXBXJNBKXGDIII-ZDUSSCGKSA-N 2 2 336.458 -1.897 20 0 EAADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)[NH+]1CCOCC1 ZINC000348179402 415056050 /nfs/dbraw/zinc/05/60/50/415056050.db2.gz GQLQIXWAINIEIB-HNNXBMFYSA-N 2 2 328.413 -1.865 20 0 EAADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)[NH+]1CCOCC1 ZINC000348179402 415056045 /nfs/dbraw/zinc/05/60/45/415056045.db2.gz GQLQIXWAINIEIB-HNNXBMFYSA-N 2 2 328.413 -1.865 20 0 EAADLP CC(C)(CNC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)[NH+]1CCOCC1 ZINC000348179404 415054371 /nfs/dbraw/zinc/05/43/71/415054371.db2.gz GQLQIXWAINIEIB-OAHLLOKOSA-N 2 2 328.413 -1.865 20 0 EAADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)[NH+]1CCOCC1 ZINC000348179404 415054367 /nfs/dbraw/zinc/05/43/67/415054367.db2.gz GQLQIXWAINIEIB-OAHLLOKOSA-N 2 2 328.413 -1.865 20 0 EAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210231 265378199 /nfs/dbraw/zinc/37/81/99/265378199.db2.gz LXWPOAVBPSWEPJ-BBRMVZONSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210231 265378197 /nfs/dbraw/zinc/37/81/97/265378197.db2.gz LXWPOAVBPSWEPJ-BBRMVZONSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210231 265378194 /nfs/dbraw/zinc/37/81/94/265378194.db2.gz LXWPOAVBPSWEPJ-BBRMVZONSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210231 265378191 /nfs/dbraw/zinc/37/81/91/265378191.db2.gz LXWPOAVBPSWEPJ-BBRMVZONSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210237 415055029 /nfs/dbraw/zinc/05/50/29/415055029.db2.gz LXWPOAVBPSWEPJ-CJNGLKHVSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210237 415055025 /nfs/dbraw/zinc/05/50/25/415055025.db2.gz LXWPOAVBPSWEPJ-CJNGLKHVSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210237 415055017 /nfs/dbraw/zinc/05/50/17/415055017.db2.gz LXWPOAVBPSWEPJ-CJNGLKHVSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC000348210237 415055009 /nfs/dbraw/zinc/05/50/09/415055009.db2.gz LXWPOAVBPSWEPJ-CJNGLKHVSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210239 415055788 /nfs/dbraw/zinc/05/57/88/415055788.db2.gz LXWPOAVBPSWEPJ-CZUORRHYSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210239 415055783 /nfs/dbraw/zinc/05/57/83/415055783.db2.gz LXWPOAVBPSWEPJ-CZUORRHYSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210239 415055779 /nfs/dbraw/zinc/05/57/79/415055779.db2.gz LXWPOAVBPSWEPJ-CZUORRHYSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210239 415055770 /nfs/dbraw/zinc/05/57/70/415055770.db2.gz LXWPOAVBPSWEPJ-CZUORRHYSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210241 415053730 /nfs/dbraw/zinc/05/37/30/415053730.db2.gz LXWPOAVBPSWEPJ-XJKSGUPXSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210241 415053729 /nfs/dbraw/zinc/05/37/29/415053729.db2.gz LXWPOAVBPSWEPJ-XJKSGUPXSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210241 415053723 /nfs/dbraw/zinc/05/37/23/415053723.db2.gz LXWPOAVBPSWEPJ-XJKSGUPXSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@](O)(C(N)=O)C2)C1 ZINC000348210241 415053718 /nfs/dbraw/zinc/05/37/18/415053718.db2.gz LXWPOAVBPSWEPJ-XJKSGUPXSA-N 2 2 342.440 -1.619 20 0 EAADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000348371991 415054576 /nfs/dbraw/zinc/05/45/76/415054576.db2.gz HLTQMPVAAXNNIM-KBPBESRZSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000348371991 415054571 /nfs/dbraw/zinc/05/45/71/415054571.db2.gz HLTQMPVAAXNNIM-KBPBESRZSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000348371991 415054569 /nfs/dbraw/zinc/05/45/69/415054569.db2.gz HLTQMPVAAXNNIM-KBPBESRZSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000348371994 374717922 /nfs/dbraw/zinc/71/79/22/374717922.db2.gz HLTQMPVAAXNNIM-KGLIPLIRSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000348371994 374717919 /nfs/dbraw/zinc/71/79/19/374717919.db2.gz HLTQMPVAAXNNIM-KGLIPLIRSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000348371994 374717910 /nfs/dbraw/zinc/71/79/10/374717910.db2.gz HLTQMPVAAXNNIM-KGLIPLIRSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000348371996 415054161 /nfs/dbraw/zinc/05/41/61/415054161.db2.gz HLTQMPVAAXNNIM-UONOGXRCSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000348371996 415054157 /nfs/dbraw/zinc/05/41/57/415054157.db2.gz HLTQMPVAAXNNIM-UONOGXRCSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000348371996 415054152 /nfs/dbraw/zinc/05/41/52/415054152.db2.gz HLTQMPVAAXNNIM-UONOGXRCSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000348371997 415053488 /nfs/dbraw/zinc/05/34/88/415053488.db2.gz HLTQMPVAAXNNIM-ZIAGYGMSSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000348371997 415053484 /nfs/dbraw/zinc/05/34/84/415053484.db2.gz HLTQMPVAAXNNIM-ZIAGYGMSSA-N 2 2 340.472 -1.129 20 0 EAADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000348371997 415053479 /nfs/dbraw/zinc/05/34/79/415053479.db2.gz HLTQMPVAAXNNIM-ZIAGYGMSSA-N 2 2 340.472 -1.129 20 0 EAADLP CN(C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC000348475281 265053369 /nfs/dbraw/zinc/05/33/69/265053369.db2.gz GCPYWNHENICHMD-UHFFFAOYSA-N 2 2 333.458 -1.640 20 0 EAADLP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000349012543 374719558 /nfs/dbraw/zinc/71/95/58/374719558.db2.gz ZUOTWOMAQCBPKX-CYBMUJFWSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(CCOC1C[NH2+]C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000349012545 374719720 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0 EAADLP C[N@H+](C[C@@H](O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000351293741 415065989 /nfs/dbraw/zinc/06/59/89/415065989.db2.gz XKZLZFWNIXCUFB-MRXNPFEDSA-N 2 2 340.468 -1.082 20 0 EAADLP COCCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351390075 265078115 /nfs/dbraw/zinc/07/81/15/265078115.db2.gz VGFCRVWHYLSVLZ-HNNXBMFYSA-N 2 2 328.457 -1.178 20 0 EAADLP COCCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351390076 415065353 /nfs/dbraw/zinc/06/53/53/415065353.db2.gz VGFCRVWHYLSVLZ-OAHLLOKOSA-N 2 2 328.457 -1.178 20 0 EAADLP COCCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351390076 415065346 /nfs/dbraw/zinc/06/53/46/415065346.db2.gz VGFCRVWHYLSVLZ-OAHLLOKOSA-N 2 2 328.457 -1.178 20 0 EAADLP CC(C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000351477134 265353534 /nfs/dbraw/zinc/35/35/34/265353534.db2.gz QGDKBZVZPBWEHP-UHFFFAOYSA-N 2 2 339.440 -1.523 20 0 EAADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351524575 265165127 /nfs/dbraw/zinc/16/51/27/265165127.db2.gz RINJCIJMZZYBGD-AWEZNQCLSA-N 3 2 325.457 -1.003 20 0 EAADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351524577 265199726 /nfs/dbraw/zinc/19/97/26/265199726.db2.gz RINJCIJMZZYBGD-CQSZACIVSA-N 3 2 325.457 -1.003 20 0 EAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351526134 265388452 /nfs/dbraw/zinc/38/84/52/265388452.db2.gz WJJVLSQSOZOHBU-LLVKDONJSA-N 2 2 325.413 -1.737 20 0 EAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351526135 265103712 /nfs/dbraw/zinc/10/37/12/265103712.db2.gz WJJVLSQSOZOHBU-NSHDSACASA-N 2 2 325.413 -1.737 20 0 EAADLP Cn1cc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000351532334 265258286 /nfs/dbraw/zinc/25/82/86/265258286.db2.gz GBVJEFUWBSRVRX-AWEZNQCLSA-N 2 2 334.424 -1.068 20 0 EAADLP Cn1cc(C[NH+]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000351532338 374734658 /nfs/dbraw/zinc/73/46/58/374734658.db2.gz GBVJEFUWBSRVRX-CQSZACIVSA-N 2 2 334.424 -1.068 20 0 EAADLP O=C(CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1)N1CC[NH2+]CC1 ZINC000351607265 265076030 /nfs/dbraw/zinc/07/60/30/265076030.db2.gz JBYDYVCCUOATAO-UHFFFAOYSA-N 2 2 337.424 -1.769 20 0 EAADLP C[NH+]1CCN(CCNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000353083472 415088275 /nfs/dbraw/zinc/08/82/75/415088275.db2.gz ZPXIRTDHJAHHDK-UHFFFAOYSA-N 2 2 334.486 -1.125 20 0 EAADLP CO[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000353133897 265223949 /nfs/dbraw/zinc/22/39/49/265223949.db2.gz UVPHWNYLSWEWMP-LBPRGKRZSA-N 2 2 349.457 -2.404 20 0 EAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353201929 265378266 /nfs/dbraw/zinc/37/82/66/265378266.db2.gz IAVZPZRHSRRPJI-NEPJUHHUSA-N 2 2 325.413 -1.656 20 0 EAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353201930 264721697 /nfs/dbraw/zinc/72/16/97/264721697.db2.gz IAVZPZRHSRRPJI-NWDGAFQWSA-N 2 2 325.413 -1.656 20 0 EAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353201931 415087974 /nfs/dbraw/zinc/08/79/74/415087974.db2.gz IAVZPZRHSRRPJI-RYUDHWBXSA-N 2 2 325.413 -1.656 20 0 EAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353201932 265144872 /nfs/dbraw/zinc/14/48/72/265144872.db2.gz IAVZPZRHSRRPJI-VXGBXAGGSA-N 2 2 325.413 -1.656 20 0 EAADLP C[NH+](C)CC(=O)NCCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000353473348 265138292 /nfs/dbraw/zinc/13/82/92/265138292.db2.gz CQIKZOCFYMUPQQ-UHFFFAOYSA-N 2 2 327.429 -1.713 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353502271 265338684 /nfs/dbraw/zinc/33/86/84/265338684.db2.gz OWWSFMVVMZFRBE-GFCCVEGCSA-N 2 2 327.429 -1.408 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353502271 265338683 /nfs/dbraw/zinc/33/86/83/265338683.db2.gz OWWSFMVVMZFRBE-GFCCVEGCSA-N 2 2 327.429 -1.408 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353502272 265382664 /nfs/dbraw/zinc/38/26/64/265382664.db2.gz OWWSFMVVMZFRBE-LBPRGKRZSA-N 2 2 327.429 -1.408 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353502272 265382662 /nfs/dbraw/zinc/38/26/62/265382662.db2.gz OWWSFMVVMZFRBE-LBPRGKRZSA-N 2 2 327.429 -1.408 20 0 EAADLP CC[C@H](C)[C@@H](NC(=O)[C@@H](C[NH3+])OC)C(=O)NCC[NH+]1CCOCC1 ZINC000353524969 415086578 /nfs/dbraw/zinc/08/65/78/415086578.db2.gz RENHHTMZKLBIRO-BFHYXJOUSA-N 2 2 344.456 -1.061 20 0 EAADLP CC[C@H](C)[C@H](NC(=O)[C@H](C[NH3+])OC)C(=O)NCC[NH+]1CCOCC1 ZINC000353524970 374757362 /nfs/dbraw/zinc/75/73/62/374757362.db2.gz RENHHTMZKLBIRO-IHRRRGAJSA-N 2 2 344.456 -1.061 20 0 EAADLP CC[C@H](C)[C@@H](NC(=O)[C@H](C[NH3+])OC)C(=O)NCC[NH+]1CCOCC1 ZINC000353524971 415085729 /nfs/dbraw/zinc/08/57/29/415085729.db2.gz RENHHTMZKLBIRO-MELADBBJSA-N 2 2 344.456 -1.061 20 0 EAADLP CC[C@H](C)[C@H](NC(=O)[C@@H](C[NH3+])OC)C(=O)NCC[NH+]1CCOCC1 ZINC000353524972 374758256 /nfs/dbraw/zinc/75/82/56/374758256.db2.gz RENHHTMZKLBIRO-MJBXVCDLSA-N 2 2 344.456 -1.061 20 0 EAADLP NC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353579494 415086248 /nfs/dbraw/zinc/08/62/48/415086248.db2.gz PWLKATMECAKRTK-AWEZNQCLSA-N 3 2 334.424 -1.087 20 0 EAADLP NC(=O)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353579496 415086169 /nfs/dbraw/zinc/08/61/69/415086169.db2.gz PWLKATMECAKRTK-CQSZACIVSA-N 3 2 334.424 -1.087 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641061 374758838 /nfs/dbraw/zinc/75/88/38/374758838.db2.gz NVKBCKIVFWGMPV-KBPBESRZSA-N 2 2 341.456 -1.558 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641061 374758833 /nfs/dbraw/zinc/75/88/33/374758833.db2.gz NVKBCKIVFWGMPV-KBPBESRZSA-N 2 2 341.456 -1.558 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641062 374758328 /nfs/dbraw/zinc/75/83/28/374758328.db2.gz NVKBCKIVFWGMPV-KGLIPLIRSA-N 2 2 341.456 -1.558 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641062 374758316 /nfs/dbraw/zinc/75/83/16/374758316.db2.gz NVKBCKIVFWGMPV-KGLIPLIRSA-N 2 2 341.456 -1.558 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641063 265117457 /nfs/dbraw/zinc/11/74/57/265117457.db2.gz NVKBCKIVFWGMPV-UONOGXRCSA-N 2 2 341.456 -1.558 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641064 265223962 /nfs/dbraw/zinc/22/39/62/265223962.db2.gz NVKBCKIVFWGMPV-ZIAGYGMSSA-N 2 2 341.456 -1.558 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)C1 ZINC000353641064 265223955 /nfs/dbraw/zinc/22/39/55/265223955.db2.gz NVKBCKIVFWGMPV-ZIAGYGMSSA-N 2 2 341.456 -1.558 20 0 EAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353677184 415086515 /nfs/dbraw/zinc/08/65/15/415086515.db2.gz IPKLQECGKVBYBR-CHWSQXEVSA-N 2 2 334.424 -1.089 20 0 EAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353677185 265362251 /nfs/dbraw/zinc/36/22/51/265362251.db2.gz IPKLQECGKVBYBR-OLZOCXBDSA-N 2 2 334.424 -1.089 20 0 EAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000353677186 265291211 /nfs/dbraw/zinc/29/12/11/265291211.db2.gz IPKLQECGKVBYBR-QWHCGFSZSA-N 2 2 334.424 -1.089 20 0 EAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353677187 415088491 /nfs/dbraw/zinc/08/84/91/415088491.db2.gz IPKLQECGKVBYBR-STQMWFEESA-N 2 2 334.424 -1.089 20 0 EAADLP CNC(=O)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000353854576 264639085 /nfs/dbraw/zinc/63/90/85/264639085.db2.gz KPSDTBHUTICBJO-UHFFFAOYSA-N 2 2 333.458 -1.768 20 0 EAADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000354129663 265060316 /nfs/dbraw/zinc/06/03/16/265060316.db2.gz FIEKHWPAWWTIMK-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000354129663 265060310 /nfs/dbraw/zinc/06/03/10/265060310.db2.gz FIEKHWPAWWTIMK-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000354129663 265060306 /nfs/dbraw/zinc/06/03/06/265060306.db2.gz FIEKHWPAWWTIMK-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000354129665 265330654 /nfs/dbraw/zinc/33/06/54/265330654.db2.gz FIEKHWPAWWTIMK-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000354129665 265330650 /nfs/dbraw/zinc/33/06/50/265330650.db2.gz FIEKHWPAWWTIMK-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000354129665 265330647 /nfs/dbraw/zinc/33/06/47/265330647.db2.gz FIEKHWPAWWTIMK-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000354129666 415091638 /nfs/dbraw/zinc/09/16/38/415091638.db2.gz FIEKHWPAWWTIMK-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000354129666 415091635 /nfs/dbraw/zinc/09/16/35/415091635.db2.gz FIEKHWPAWWTIMK-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000354129666 415091632 /nfs/dbraw/zinc/09/16/32/415091632.db2.gz FIEKHWPAWWTIMK-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000354129666 415091629 /nfs/dbraw/zinc/09/16/29/415091629.db2.gz FIEKHWPAWWTIMK-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000354129667 374759910 /nfs/dbraw/zinc/75/99/10/374759910.db2.gz FIEKHWPAWWTIMK-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000354129667 374759907 /nfs/dbraw/zinc/75/99/07/374759907.db2.gz FIEKHWPAWWTIMK-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000354129667 374759905 /nfs/dbraw/zinc/75/99/05/374759905.db2.gz FIEKHWPAWWTIMK-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000354129667 374759901 /nfs/dbraw/zinc/75/99/01/374759901.db2.gz FIEKHWPAWWTIMK-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP NC(=O)[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000354394581 265239868 /nfs/dbraw/zinc/23/98/68/265239868.db2.gz POFFQGPEYLEINA-BETUJISGSA-N 2 2 328.413 -1.471 20 0 EAADLP NC(=O)[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000354394581 265239866 /nfs/dbraw/zinc/23/98/66/265239866.db2.gz POFFQGPEYLEINA-BETUJISGSA-N 2 2 328.413 -1.471 20 0 EAADLP NC(=O)[C@H]1C[N@@H+](CCCCC[NH+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000354394581 265239864 /nfs/dbraw/zinc/23/98/64/265239864.db2.gz POFFQGPEYLEINA-BETUJISGSA-N 2 2 328.413 -1.471 20 0 EAADLP NC(=O)[C@H]1C[N@H+](CCCCC[NH+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000354394581 265239859 /nfs/dbraw/zinc/23/98/59/265239859.db2.gz POFFQGPEYLEINA-BETUJISGSA-N 2 2 328.413 -1.471 20 0 EAADLP CC(=O)N1CC[NH+](CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354692966 415094658 /nfs/dbraw/zinc/09/46/58/415094658.db2.gz OIZGMUNSQOCKSV-AWEZNQCLSA-N 2 2 339.440 -1.475 20 0 EAADLP CC(=O)N1CC[NH+](CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354692967 374763609 /nfs/dbraw/zinc/76/36/09/374763609.db2.gz OIZGMUNSQOCKSV-CQSZACIVSA-N 2 2 339.440 -1.475 20 0 EAADLP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000354744878 265132266 /nfs/dbraw/zinc/13/22/66/265132266.db2.gz UMANTBYHPJNGCT-KBPBESRZSA-N 2 2 325.457 -1.003 20 0 EAADLP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000354744880 265256304 /nfs/dbraw/zinc/25/63/04/265256304.db2.gz UMANTBYHPJNGCT-KGLIPLIRSA-N 2 2 325.457 -1.003 20 0 EAADLP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000354744882 415093228 /nfs/dbraw/zinc/09/32/28/415093228.db2.gz UMANTBYHPJNGCT-UONOGXRCSA-N 2 2 325.457 -1.003 20 0 EAADLP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000354744885 374762794 /nfs/dbraw/zinc/76/27/94/374762794.db2.gz UMANTBYHPJNGCT-ZIAGYGMSSA-N 2 2 325.457 -1.003 20 0 EAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354753847 265014805 /nfs/dbraw/zinc/01/48/05/265014805.db2.gz XECFDEWDJFIMPO-GFCCVEGCSA-N 2 2 339.440 -1.347 20 0 EAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354753854 374762309 /nfs/dbraw/zinc/76/23/09/374762309.db2.gz XECFDEWDJFIMPO-LBPRGKRZSA-N 2 2 339.440 -1.347 20 0 EAADLP COC(=O)CCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354895666 374763056 /nfs/dbraw/zinc/76/30/56/374763056.db2.gz KALKIANBGMPEEG-UHFFFAOYSA-N 2 2 343.424 -1.175 20 0 EAADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000355271469 374766212 /nfs/dbraw/zinc/76/62/12/374766212.db2.gz YXNPZPDQFQEXQF-KBPBESRZSA-N 2 2 344.456 -1.406 20 0 EAADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000355271470 415095527 /nfs/dbraw/zinc/09/55/27/415095527.db2.gz YXNPZPDQFQEXQF-KGLIPLIRSA-N 2 2 344.456 -1.406 20 0 EAADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000355271472 415096301 /nfs/dbraw/zinc/09/63/01/415096301.db2.gz YXNPZPDQFQEXQF-UONOGXRCSA-N 2 2 344.456 -1.406 20 0 EAADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000355271473 415096275 /nfs/dbraw/zinc/09/62/75/415096275.db2.gz YXNPZPDQFQEXQF-ZIAGYGMSSA-N 2 2 344.456 -1.406 20 0 EAADLP C[NH+](C)Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)no1 ZINC000355567789 374765487 /nfs/dbraw/zinc/76/54/87/374765487.db2.gz DKEXGOVXQRUAOZ-UHFFFAOYSA-N 2 2 339.396 -1.086 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357079119 265231143 /nfs/dbraw/zinc/23/11/43/265231143.db2.gz CQQNYYUERBPZNU-CABCVRRESA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357079119 265231140 /nfs/dbraw/zinc/23/11/40/265231140.db2.gz CQQNYYUERBPZNU-CABCVRRESA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357079122 265083220 /nfs/dbraw/zinc/08/32/20/265083220.db2.gz CQQNYYUERBPZNU-GJZGRUSLSA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357079122 265083215 /nfs/dbraw/zinc/08/32/15/265083215.db2.gz CQQNYYUERBPZNU-GJZGRUSLSA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357079124 415104346 /nfs/dbraw/zinc/10/43/46/415104346.db2.gz CQQNYYUERBPZNU-HUUCEWRRSA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357079124 415104342 /nfs/dbraw/zinc/10/43/42/415104342.db2.gz CQQNYYUERBPZNU-HUUCEWRRSA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357079126 265261455 /nfs/dbraw/zinc/26/14/55/265261455.db2.gz CQQNYYUERBPZNU-LSDHHAIUSA-N 2 2 337.468 -1.240 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357079126 265261453 /nfs/dbraw/zinc/26/14/53/265261453.db2.gz CQQNYYUERBPZNU-LSDHHAIUSA-N 2 2 337.468 -1.240 20 0 EAADLP CN1CCN(S(=O)(=O)N2CC[NH+](CCOCC[NH3+])CC2)CC1 ZINC000357082334 415103384 /nfs/dbraw/zinc/10/33/84/415103384.db2.gz WJFALQDVHQSPNX-UHFFFAOYSA-N 2 2 335.474 -1.929 20 0 EAADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000357086194 374770969 /nfs/dbraw/zinc/77/09/69/374770969.db2.gz TVPDPVMGPIPAMC-CHWSQXEVSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000357086194 374770961 /nfs/dbraw/zinc/77/09/61/374770961.db2.gz TVPDPVMGPIPAMC-CHWSQXEVSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O ZINC000357086199 265034423 /nfs/dbraw/zinc/03/44/23/265034423.db2.gz TVPDPVMGPIPAMC-OLZOCXBDSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O ZINC000357086199 265034421 /nfs/dbraw/zinc/03/44/21/265034421.db2.gz TVPDPVMGPIPAMC-OLZOCXBDSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000357086201 374771368 /nfs/dbraw/zinc/77/13/68/374771368.db2.gz TVPDPVMGPIPAMC-QWHCGFSZSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000357086201 374771365 /nfs/dbraw/zinc/77/13/65/374771365.db2.gz TVPDPVMGPIPAMC-QWHCGFSZSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O ZINC000357086203 415103491 /nfs/dbraw/zinc/10/34/91/415103491.db2.gz TVPDPVMGPIPAMC-STQMWFEESA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O ZINC000357086203 415103485 /nfs/dbraw/zinc/10/34/85/415103485.db2.gz TVPDPVMGPIPAMC-STQMWFEESA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1C[NH2+]C1 ZINC000357102882 415105306 /nfs/dbraw/zinc/10/53/06/415105306.db2.gz JEPSAWIAGFBHTD-UHFFFAOYSA-N 2 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COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000361124546 415119920 /nfs/dbraw/zinc/11/99/20/415119920.db2.gz PXXRRLDGSWGEJN-ZDUSSCGKSA-N 2 2 343.424 -1.177 20 0 EAADLP C[C@](O)(CNC(=O)NCC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000361860247 265230588 /nfs/dbraw/zinc/23/05/88/265230588.db2.gz WCOGSBYINFDTDX-HNNXBMFYSA-N 2 2 330.429 -1.299 20 0 EAADLP C[C@@](O)(CNC(=O)NCC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000361860249 374789927 /nfs/dbraw/zinc/78/99/27/374789927.db2.gz WCOGSBYINFDTDX-OAHLLOKOSA-N 2 2 330.429 -1.299 20 0 EAADLP Cn1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(=O)n(C)c1=O ZINC000362665345 415123573 /nfs/dbraw/zinc/12/35/73/415123573.db2.gz CYRGBFACKRHJLA-CYBMUJFWSA-N 2 2 335.408 -1.520 20 0 EAADLP Cn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(=O)n(C)c1=O ZINC000362665345 415123568 /nfs/dbraw/zinc/12/35/68/415123568.db2.gz CYRGBFACKRHJLA-CYBMUJFWSA-N 2 2 335.408 -1.520 20 0 EAADLP Cn1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(=O)n(C)c1=O ZINC000362665346 415123470 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2 326.441 -1.472 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371276790 265294317 /nfs/dbraw/zinc/29/43/17/265294317.db2.gz ZVNGMJIAGJNXHH-HUUCEWRRSA-N 2 2 326.441 -1.472 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371276791 265001039 /nfs/dbraw/zinc/00/10/39/265001039.db2.gz ZVNGMJIAGJNXHH-LSDHHAIUSA-N 2 2 326.441 -1.472 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371276791 265001034 /nfs/dbraw/zinc/00/10/34/265001034.db2.gz ZVNGMJIAGJNXHH-LSDHHAIUSA-N 2 2 326.441 -1.472 20 0 EAADLP COC(=O)CNC(=O)CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371642096 265074172 /nfs/dbraw/zinc/07/41/72/265074172.db2.gz LIKYULTYAOGMON-UHFFFAOYSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CNC(=O)CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371642096 265074168 /nfs/dbraw/zinc/07/41/68/265074168.db2.gz LIKYULTYAOGMON-UHFFFAOYSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CCNC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371644602 415136285 /nfs/dbraw/zinc/13/62/85/415136285.db2.gz BXHNVJBPVIWTJA-UHFFFAOYSA-N 2 2 340.424 -1.096 20 0 EAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1=O ZINC000371820355 415139417 /nfs/dbraw/zinc/13/94/17/415139417.db2.gz IJWDVTAXHOCVCP-CYBMUJFWSA-N 2 2 339.440 -1.584 20 0 EAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000371820355 415139411 /nfs/dbraw/zinc/13/94/11/415139411.db2.gz IJWDVTAXHOCVCP-CYBMUJFWSA-N 2 2 339.440 -1.584 20 0 EAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1=O ZINC000371820356 265288460 /nfs/dbraw/zinc/28/84/60/265288460.db2.gz IJWDVTAXHOCVCP-ZDUSSCGKSA-N 2 2 339.440 -1.584 20 0 EAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+]1CCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133591 /nfs/dbraw/zinc/13/35/91/265133591.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+]1CCCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133587 /nfs/dbraw/zinc/13/35/87/265133587.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+]1CCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133585 /nfs/dbraw/zinc/13/35/85/265133585.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+]1CCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133582 /nfs/dbraw/zinc/13/35/82/265133582.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@@H](O)C[NH+]1CCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798136 415140463 /nfs/dbraw/zinc/14/04/63/415140463.db2.gz SCXOWUGBORRFIW-KPWCQOOUSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@@H](O)C[NH+]1CCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798136 415140458 /nfs/dbraw/zinc/14/04/58/415140458.db2.gz SCXOWUGBORRFIW-KPWCQOOUSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798136 415140448 /nfs/dbraw/zinc/14/04/48/415140448.db2.gz SCXOWUGBORRFIW-KPWCQOOUSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798136 415140441 /nfs/dbraw/zinc/14/04/41/415140441.db2.gz SCXOWUGBORRFIW-KPWCQOOUSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@H](O)C[NH+]1CCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798140 374800632 /nfs/dbraw/zinc/80/06/32/374800632.db2.gz SCXOWUGBORRFIW-XDQVBPFNSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@H](O)C[NH+]1CCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798140 374800629 /nfs/dbraw/zinc/80/06/29/374800629.db2.gz SCXOWUGBORRFIW-XDQVBPFNSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798140 374800626 /nfs/dbraw/zinc/80/06/26/374800626.db2.gz SCXOWUGBORRFIW-XDQVBPFNSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798140 374800621 /nfs/dbraw/zinc/80/06/21/374800621.db2.gz SCXOWUGBORRFIW-XDQVBPFNSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+]1CCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798143 265336925 /nfs/dbraw/zinc/33/69/25/265336925.db2.gz SCXOWUGBORRFIW-XUXIUFHCSA-N 2 2 344.408 -1.017 20 0 EAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+]1CCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798143 265336922 /nfs/dbraw/zinc/33/69/22/265336922.db2.gz SCXOWUGBORRFIW-XUXIUFHCSA-N 2 2 344.408 -1.017 20 0 EAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)CCO1 ZINC000374448073 415143159 /nfs/dbraw/zinc/14/31/59/415143159.db2.gz WVZJYQAYZRUNMR-CYBMUJFWSA-N 2 2 348.469 -1.470 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)CCO1 ZINC000374448073 415143145 /nfs/dbraw/zinc/14/31/45/415143145.db2.gz WVZJYQAYZRUNMR-CYBMUJFWSA-N 2 2 348.469 -1.470 20 0 EAADLP C[N@H+](CC(N)=O)C[C@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)CCO1 ZINC000374448075 265288724 /nfs/dbraw/zinc/28/87/24/265288724.db2.gz WVZJYQAYZRUNMR-ZDUSSCGKSA-N 2 2 348.469 -1.470 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)CCO1 ZINC000374448075 265288722 /nfs/dbraw/zinc/28/87/22/265288722.db2.gz WVZJYQAYZRUNMR-ZDUSSCGKSA-N 2 2 348.469 -1.470 20 0 EAADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374727640 265270960 /nfs/dbraw/zinc/27/09/60/265270960.db2.gz RSNBZMMJKYZWFL-GFCCVEGCSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374727640 265270955 /nfs/dbraw/zinc/27/09/55/265270955.db2.gz RSNBZMMJKYZWFL-GFCCVEGCSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374727641 415143725 /nfs/dbraw/zinc/14/37/25/415143725.db2.gz RSNBZMMJKYZWFL-LBPRGKRZSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374727641 415143714 /nfs/dbraw/zinc/14/37/14/415143714.db2.gz RSNBZMMJKYZWFL-LBPRGKRZSA-N 2 2 340.424 -1.098 20 0 EAADLP C[N@H+]1CCN(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C(=O)C1 ZINC000374743186 415145259 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EAADLP CCNC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374995917 415145115 /nfs/dbraw/zinc/14/51/15/415145115.db2.gz FPDYUNAAIVIXKB-UHFFFAOYSA-N 2 2 328.413 -1.009 20 0 EAADLP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000375861462 415142645 /nfs/dbraw/zinc/14/26/45/415142645.db2.gz QESIRMJODYBKSE-CABCVRRESA-N 2 2 326.441 -1.160 20 0 EAADLP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000375861462 415142636 /nfs/dbraw/zinc/14/26/36/415142636.db2.gz QESIRMJODYBKSE-CABCVRRESA-N 2 2 326.441 -1.160 20 0 EAADLP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000375861465 265378614 /nfs/dbraw/zinc/37/86/14/265378614.db2.gz QESIRMJODYBKSE-GJZGRUSLSA-N 2 2 326.441 -1.160 20 0 EAADLP CC(C)Nc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376433995 265071818 /nfs/dbraw/zinc/07/18/18/265071818.db2.gz JVTOBNOYJGLFPN-GFCCVEGCSA-N 2 2 337.428 -1.539 20 0 EAADLP CC(C)Nc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(NCCO)[nH+]1 ZINC000376433995 265071801 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328.413 -1.192 20 0 EAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000419896664 265352969 /nfs/dbraw/zinc/35/29/69/265352969.db2.gz UVDUMKCQRUUHDQ-LBPRGKRZSA-N 2 2 328.413 -1.192 20 0 EAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000419896664 265352965 /nfs/dbraw/zinc/35/29/65/265352965.db2.gz UVDUMKCQRUUHDQ-LBPRGKRZSA-N 2 2 328.413 -1.192 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419896944 415165405 /nfs/dbraw/zinc/16/54/05/415165405.db2.gz VBSSXHKLHLIFCE-CHWSQXEVSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419896944 415165397 /nfs/dbraw/zinc/16/53/97/415165397.db2.gz VBSSXHKLHLIFCE-CHWSQXEVSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419896946 415166425 /nfs/dbraw/zinc/16/64/25/415166425.db2.gz VBSSXHKLHLIFCE-OLZOCXBDSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419896946 415166423 /nfs/dbraw/zinc/16/64/23/415166423.db2.gz VBSSXHKLHLIFCE-OLZOCXBDSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419896948 415166680 /nfs/dbraw/zinc/16/66/80/415166680.db2.gz VBSSXHKLHLIFCE-QWHCGFSZSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419896948 415166670 /nfs/dbraw/zinc/16/66/70/415166670.db2.gz VBSSXHKLHLIFCE-QWHCGFSZSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419896950 265236770 /nfs/dbraw/zinc/23/67/70/265236770.db2.gz VBSSXHKLHLIFCE-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419896950 265236765 /nfs/dbraw/zinc/23/67/65/265236765.db2.gz VBSSXHKLHLIFCE-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000419898777 265350581 /nfs/dbraw/zinc/35/05/81/265350581.db2.gz XIMNHOSRMGYXEN-UHFFFAOYSA-N 2 2 330.429 -1.482 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419905169 415166485 /nfs/dbraw/zinc/16/64/85/415166485.db2.gz YQRKOEZJHMZMRP-CYBMUJFWSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419905170 264969420 /nfs/dbraw/zinc/96/94/20/264969420.db2.gz YQRKOEZJHMZMRP-ZDUSSCGKSA-N 2 2 342.440 -1.340 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000419955245 265020984 /nfs/dbraw/zinc/02/09/84/265020984.db2.gz MWSNLYLWLXQVNH-NEPJUHHUSA-N 2 2 328.413 -1.207 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000419955245 265020982 /nfs/dbraw/zinc/02/09/82/265020982.db2.gz MWSNLYLWLXQVNH-NEPJUHHUSA-N 2 2 328.413 -1.207 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000419955246 265236817 /nfs/dbraw/zinc/23/68/17/265236817.db2.gz MWSNLYLWLXQVNH-NWDGAFQWSA-N 2 2 328.413 -1.207 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000419955246 265236814 /nfs/dbraw/zinc/23/68/14/265236814.db2.gz MWSNLYLWLXQVNH-NWDGAFQWSA-N 2 2 328.413 -1.207 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000419955247 265010456 /nfs/dbraw/zinc/01/04/56/265010456.db2.gz MWSNLYLWLXQVNH-RYUDHWBXSA-N 2 2 328.413 -1.207 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])[C@H](C)C1 ZINC000419955248 265027388 /nfs/dbraw/zinc/02/73/88/265027388.db2.gz MWSNLYLWLXQVNH-VXGBXAGGSA-N 2 2 328.413 -1.207 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])[C@H](C)C1 ZINC000419955248 265027387 /nfs/dbraw/zinc/02/73/87/265027387.db2.gz MWSNLYLWLXQVNH-VXGBXAGGSA-N 2 2 328.413 -1.207 20 0 EAADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000419957564 415166311 /nfs/dbraw/zinc/16/63/11/415166311.db2.gz UFQSNNIGMBSEJY-CYBMUJFWSA-N 2 2 344.456 -1.236 20 0 EAADLP 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ZINC000419987134 265324660 /nfs/dbraw/zinc/32/46/60/265324660.db2.gz CZYDKXOHYCZGKD-RYUDHWBXSA-N 2 2 328.413 -1.064 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])[C@@H](C)C1 ZINC000419987134 265324659 /nfs/dbraw/zinc/32/46/59/265324659.db2.gz CZYDKXOHYCZGKD-RYUDHWBXSA-N 2 2 328.413 -1.064 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])[C@H](C)C1 ZINC000419987135 265188774 /nfs/dbraw/zinc/18/87/74/265188774.db2.gz CZYDKXOHYCZGKD-VXGBXAGGSA-N 2 2 328.413 -1.064 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])[C@H](C)C1 ZINC000419987135 265188772 /nfs/dbraw/zinc/18/87/72/265188772.db2.gz CZYDKXOHYCZGKD-VXGBXAGGSA-N 2 2 328.413 -1.064 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419998369 415171714 /nfs/dbraw/zinc/17/17/14/415171714.db2.gz MXZZGLLVPLUJTR-AWEZNQCLSA-N 2 2 344.456 -1.109 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419998370 374835836 /nfs/dbraw/zinc/83/58/36/374835836.db2.gz MXZZGLLVPLUJTR-CQSZACIVSA-N 2 2 344.456 -1.109 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420030780 415169960 /nfs/dbraw/zinc/16/99/60/415169960.db2.gz KONFLFYDWLLYPP-AWEZNQCLSA-N 2 2 342.440 -1.355 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420030782 415168076 /nfs/dbraw/zinc/16/80/76/415168076.db2.gz KONFLFYDWLLYPP-CQSZACIVSA-N 2 2 342.440 -1.355 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000420055263 265217579 /nfs/dbraw/zinc/21/75/79/265217579.db2.gz GEPFEGMUWJKRPR-AAEUAGOBSA-N 2 2 340.424 -1.064 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000420055263 265217577 /nfs/dbraw/zinc/21/75/77/265217577.db2.gz GEPFEGMUWJKRPR-AAEUAGOBSA-N 2 2 340.424 -1.064 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000420055265 374836037 /nfs/dbraw/zinc/83/60/37/374836037.db2.gz GEPFEGMUWJKRPR-DGCLKSJQSA-N 2 2 340.424 -1.064 20 0 EAADLP 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KUZTVFASTWKCFB-UHFFFAOYSA-N 2 2 349.382 -1.681 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000420153594 265358232 /nfs/dbraw/zinc/35/82/32/265358232.db2.gz CTFYQIDSLAKGOJ-UHFFFAOYSA-N 2 2 330.429 -1.434 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000420153594 265358231 /nfs/dbraw/zinc/35/82/31/265358231.db2.gz CTFYQIDSLAKGOJ-UHFFFAOYSA-N 2 2 330.429 -1.434 20 0 EAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420160791 265343941 /nfs/dbraw/zinc/34/39/41/265343941.db2.gz BJNVMYAUHANWQW-LLVKDONJSA-N 2 2 334.367 -1.123 20 0 EAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420160792 415171320 /nfs/dbraw/zinc/17/13/20/415171320.db2.gz BJNVMYAUHANWQW-NSHDSACASA-N 2 2 334.367 -1.123 20 0 EAADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000420163986 374835322 /nfs/dbraw/zinc/83/53/22/374835322.db2.gz FDWDQOOTOYZSRN-CYBMUJFWSA-N 2 2 344.456 -1.094 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420183075 265214216 /nfs/dbraw/zinc/21/42/16/265214216.db2.gz LCZRGHIZJZZYOI-OKILXGFUSA-N 2 2 344.456 -1.094 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420185767 374837096 /nfs/dbraw/zinc/83/70/96/374837096.db2.gz ABRIQRODHCXGHF-AWEZNQCLSA-N 2 2 342.440 -1.340 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420185769 265052819 /nfs/dbraw/zinc/05/28/19/265052819.db2.gz ABRIQRODHCXGHF-CQSZACIVSA-N 2 2 342.440 -1.340 20 0 EAADLP Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000420301062 265128389 /nfs/dbraw/zinc/12/83/89/265128389.db2.gz DOUQNMULGNUQRP-AXFHLTTASA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000420301062 265128387 /nfs/dbraw/zinc/12/83/87/265128387.db2.gz DOUQNMULGNUQRP-AXFHLTTASA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000420301066 374838810 /nfs/dbraw/zinc/83/88/10/374838810.db2.gz DOUQNMULGNUQRP-DCAQKATOSA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000420301066 374838800 /nfs/dbraw/zinc/83/88/00/374838800.db2.gz DOUQNMULGNUQRP-DCAQKATOSA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000420301070 374836999 /nfs/dbraw/zinc/83/69/99/374836999.db2.gz DOUQNMULGNUQRP-GARJFASQSA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(=O)n(C)c1=O ZINC000420301070 374836991 /nfs/dbraw/zinc/83/69/91/374836991.db2.gz DOUQNMULGNUQRP-GARJFASQSA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000420301073 265039686 /nfs/dbraw/zinc/03/96/86/265039686.db2.gz DOUQNMULGNUQRP-HBNTYKKESA-N 2 2 335.408 -1.092 20 0 EAADLP Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(=O)n(C)c1=O ZINC000420301073 265039683 /nfs/dbraw/zinc/03/96/83/265039683.db2.gz DOUQNMULGNUQRP-HBNTYKKESA-N 2 2 335.408 -1.092 20 0 EAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420305393 265108433 /nfs/dbraw/zinc/10/84/33/265108433.db2.gz KCHTZYCGUZDGSC-CYBMUJFWSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420305393 265108431 /nfs/dbraw/zinc/10/84/31/265108431.db2.gz KCHTZYCGUZDGSC-CYBMUJFWSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420305394 415170668 /nfs/dbraw/zinc/17/06/68/415170668.db2.gz KCHTZYCGUZDGSC-ZDUSSCGKSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420305394 415170659 /nfs/dbraw/zinc/17/06/59/415170659.db2.gz KCHTZYCGUZDGSC-ZDUSSCGKSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CN(CCC(=O)N1CC[NH2+]CC1)CC[NH+]1CCOCC1 ZINC000420359874 265068881 /nfs/dbraw/zinc/06/88/81/265068881.db2.gz KZPYKNKFHYBVKP-UHFFFAOYSA-N 2 2 342.440 -1.385 20 0 EAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000422974985 415173813 /nfs/dbraw/zinc/17/38/13/415173813.db2.gz FXBGUDIZRNKYBC-CYBMUJFWSA-N 2 2 339.440 -1.536 20 0 EAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000422974986 265124077 /nfs/dbraw/zinc/12/40/77/265124077.db2.gz FXBGUDIZRNKYBC-ZDUSSCGKSA-N 2 2 339.440 -1.536 20 0 EAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000422999004 265122719 /nfs/dbraw/zinc/12/27/19/265122719.db2.gz XKRLFTZYGZDTAB-CYBMUJFWSA-N 2 2 333.392 -1.084 20 0 EAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000422999005 265110269 /nfs/dbraw/zinc/11/02/69/265110269.db2.gz XKRLFTZYGZDTAB-ZDUSSCGKSA-N 2 2 333.392 -1.084 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423056509 265198555 /nfs/dbraw/zinc/19/85/55/265198555.db2.gz GBHIROGIAZEHKC-CYBMUJFWSA-N 2 2 328.413 -1.647 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423056510 415181325 /nfs/dbraw/zinc/18/13/25/415181325.db2.gz GBHIROGIAZEHKC-ZDUSSCGKSA-N 2 2 328.413 -1.647 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000423269609 415178065 /nfs/dbraw/zinc/17/80/65/415178065.db2.gz VYFCEOQDYFSXMY-CYBMUJFWSA-N 2 2 334.424 -1.115 20 0 EAADLP C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000423269610 415178628 /nfs/dbraw/zinc/17/86/28/415178628.db2.gz VYFCEOQDYFSXMY-ZDUSSCGKSA-N 2 2 334.424 -1.115 20 0 EAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000423321933 265282256 /nfs/dbraw/zinc/28/22/56/265282256.db2.gz IEDIFHMTRMFAEC-HZSPNIEDSA-N 2 2 342.440 -1.260 20 0 EAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000423321933 265282248 /nfs/dbraw/zinc/28/22/48/265282248.db2.gz IEDIFHMTRMFAEC-HZSPNIEDSA-N 2 2 342.440 -1.260 20 0 EAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000423321941 415178561 /nfs/dbraw/zinc/17/85/61/415178561.db2.gz IEDIFHMTRMFAEC-MJBXVCDLSA-N 2 2 342.440 -1.260 20 0 EAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000423321941 415178542 /nfs/dbraw/zinc/17/85/42/415178542.db2.gz IEDIFHMTRMFAEC-MJBXVCDLSA-N 2 2 342.440 -1.260 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423377062 265380413 /nfs/dbraw/zinc/38/04/13/265380413.db2.gz VRAYSZXDCTYRAM-AWEZNQCLSA-N 2 2 342.440 -1.258 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423377063 415180081 /nfs/dbraw/zinc/18/00/81/415180081.db2.gz VRAYSZXDCTYRAM-CQSZACIVSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000423442615 415179944 /nfs/dbraw/zinc/17/99/44/415179944.db2.gz ZIFGTPUJSCTQIA-CYBMUJFWSA-N 2 2 339.440 -1.571 20 0 EAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000423442629 265164257 /nfs/dbraw/zinc/16/42/57/265164257.db2.gz ZIFGTPUJSCTQIA-ZDUSSCGKSA-N 2 2 339.440 -1.571 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000423535040 265206520 /nfs/dbraw/zinc/20/65/20/265206520.db2.gz BRBWFPAIAIHVJK-NEPJUHHUSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000423535040 265206517 /nfs/dbraw/zinc/20/65/17/265206517.db2.gz BRBWFPAIAIHVJK-NEPJUHHUSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000423535041 265190056 /nfs/dbraw/zinc/19/00/56/265190056.db2.gz BRBWFPAIAIHVJK-NWDGAFQWSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000423535041 265190052 /nfs/dbraw/zinc/19/00/52/265190052.db2.gz BRBWFPAIAIHVJK-NWDGAFQWSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000423535042 415181383 /nfs/dbraw/zinc/18/13/83/415181383.db2.gz BRBWFPAIAIHVJK-RYUDHWBXSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000423535042 415181376 /nfs/dbraw/zinc/18/13/76/415181376.db2.gz BRBWFPAIAIHVJK-RYUDHWBXSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000423535043 415180117 /nfs/dbraw/zinc/18/01/17/415180117.db2.gz BRBWFPAIAIHVJK-VXGBXAGGSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000423535043 415180103 /nfs/dbraw/zinc/18/01/03/415180103.db2.gz BRBWFPAIAIHVJK-VXGBXAGGSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000423535325 265059855 /nfs/dbraw/zinc/05/98/55/265059855.db2.gz CNOUAPFVPRICMK-CHWSQXEVSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000423535325 265059853 /nfs/dbraw/zinc/05/98/53/265059853.db2.gz CNOUAPFVPRICMK-CHWSQXEVSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000423535326 265362167 /nfs/dbraw/zinc/36/21/67/265362167.db2.gz CNOUAPFVPRICMK-OLZOCXBDSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000423535326 265362165 /nfs/dbraw/zinc/36/21/65/265362165.db2.gz CNOUAPFVPRICMK-OLZOCXBDSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000423535327 415177221 /nfs/dbraw/zinc/17/72/21/415177221.db2.gz CNOUAPFVPRICMK-QWHCGFSZSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000423535327 415177212 /nfs/dbraw/zinc/17/72/12/415177212.db2.gz CNOUAPFVPRICMK-QWHCGFSZSA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000423535328 374859355 /nfs/dbraw/zinc/85/93/55/374859355.db2.gz CNOUAPFVPRICMK-STQMWFEESA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000423535328 374859349 /nfs/dbraw/zinc/85/93/49/374859349.db2.gz CNOUAPFVPRICMK-STQMWFEESA-N 2 2 340.424 -1.098 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000423537307 415177445 /nfs/dbraw/zinc/17/74/45/415177445.db2.gz JSEYQJDUGRIVFG-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000423537307 415177434 /nfs/dbraw/zinc/17/74/34/415177434.db2.gz JSEYQJDUGRIVFG-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423537308 265192365 /nfs/dbraw/zinc/19/23/65/265192365.db2.gz JSEYQJDUGRIVFG-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423537308 265192363 /nfs/dbraw/zinc/19/23/63/265192363.db2.gz JSEYQJDUGRIVFG-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000423539987 415177561 /nfs/dbraw/zinc/17/75/61/415177561.db2.gz PSKPBSQHEHNXMG-CHWSQXEVSA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000423539987 415177550 /nfs/dbraw/zinc/17/75/50/415177550.db2.gz PSKPBSQHEHNXMG-CHWSQXEVSA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000423539988 265144626 /nfs/dbraw/zinc/14/46/26/265144626.db2.gz PSKPBSQHEHNXMG-OLZOCXBDSA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000423539990 264995063 /nfs/dbraw/zinc/99/50/63/264995063.db2.gz PSKPBSQHEHNXMG-QWHCGFSZSA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000423539990 264995055 /nfs/dbraw/zinc/99/50/55/264995055.db2.gz PSKPBSQHEHNXMG-QWHCGFSZSA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000423539991 415178761 /nfs/dbraw/zinc/17/87/61/415178761.db2.gz PSKPBSQHEHNXMG-STQMWFEESA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000423539991 415178757 /nfs/dbraw/zinc/17/87/57/415178757.db2.gz PSKPBSQHEHNXMG-STQMWFEESA-N 2 2 340.424 -1.098 20 0 EAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423541595 265193750 /nfs/dbraw/zinc/19/37/50/265193750.db2.gz SIDCGNRAQZJUKI-GFCCVEGCSA-N 2 2 328.413 -1.240 20 0 EAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423541595 265193747 /nfs/dbraw/zinc/19/37/47/265193747.db2.gz SIDCGNRAQZJUKI-GFCCVEGCSA-N 2 2 328.413 -1.240 20 0 EAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423541596 415180714 /nfs/dbraw/zinc/18/07/14/415180714.db2.gz SIDCGNRAQZJUKI-LBPRGKRZSA-N 2 2 328.413 -1.240 20 0 EAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423541596 415180706 /nfs/dbraw/zinc/18/07/06/415180706.db2.gz SIDCGNRAQZJUKI-LBPRGKRZSA-N 2 2 328.413 -1.240 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423583271 265346143 /nfs/dbraw/zinc/34/61/43/265346143.db2.gz ADUNSURNDUEYQA-CYBMUJFWSA-N 2 2 342.440 -1.258 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423583272 415179639 /nfs/dbraw/zinc/17/96/39/415179639.db2.gz ADUNSURNDUEYQA-ZDUSSCGKSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423603024 265103403 /nfs/dbraw/zinc/10/34/03/265103403.db2.gz GTPMLGGZIOCTJQ-CYBMUJFWSA-N 2 2 339.440 -1.571 20 0 EAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423603025 374858818 /nfs/dbraw/zinc/85/88/18/374858818.db2.gz GTPMLGGZIOCTJQ-ZDUSSCGKSA-N 2 2 339.440 -1.571 20 0 EAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000423605509 374858065 /nfs/dbraw/zinc/85/80/65/374858065.db2.gz JTRCYPYEGCBMTR-CYBMUJFWSA-N 2 2 334.424 -1.115 20 0 EAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000423605510 374858454 /nfs/dbraw/zinc/85/84/54/374858454.db2.gz JTRCYPYEGCBMTR-ZDUSSCGKSA-N 2 2 334.424 -1.115 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423608129 265131371 /nfs/dbraw/zinc/13/13/71/265131371.db2.gz KDDQEHZRWBKSDI-UHFFFAOYSA-N 2 2 328.413 -1.776 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423609556 374858732 /nfs/dbraw/zinc/85/87/32/374858732.db2.gz MAWSSCRHHRLBSD-TZMCWYRMSA-N 2 2 342.440 -1.402 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423611748 265032168 /nfs/dbraw/zinc/03/21/68/265032168.db2.gz OSFWMFJABCBJPD-CYBMUJFWSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000423613496 415180410 /nfs/dbraw/zinc/18/04/10/415180410.db2.gz RBELGAQANSOXFY-UHFFFAOYSA-N 2 2 344.456 -1.140 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423642496 374858860 /nfs/dbraw/zinc/85/88/60/374858860.db2.gz XCOKWLKBOXWJHI-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000423642501 264867272 /nfs/dbraw/zinc/86/72/72/264867272.db2.gz XCOKWLKBOXWJHI-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000423642504 265217477 /nfs/dbraw/zinc/21/74/77/265217477.db2.gz XCOKWLKBOXWJHI-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423642507 265261875 /nfs/dbraw/zinc/26/18/75/265261875.db2.gz XCOKWLKBOXWJHI-RDBSUJKOSA-N 2 2 342.440 -1.653 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423665250 265012924 /nfs/dbraw/zinc/01/29/24/265012924.db2.gz JGYJEAZZGZMZSW-CYBMUJFWSA-N 2 2 339.440 -1.394 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423665252 415179263 /nfs/dbraw/zinc/17/92/63/415179263.db2.gz JGYJEAZZGZMZSW-ZDUSSCGKSA-N 2 2 339.440 -1.394 20 0 EAADLP CN(C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423667363 415179669 /nfs/dbraw/zinc/17/96/69/415179669.db2.gz NRMCWQMJLSBPCU-RDBSUJKOSA-N 2 2 334.376 -1.148 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423675078 415182592 /nfs/dbraw/zinc/18/25/92/415182592.db2.gz HNRIFQLZZXOULS-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000423675081 265243050 /nfs/dbraw/zinc/24/30/50/265243050.db2.gz HNRIFQLZZXOULS-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000423675082 415183573 /nfs/dbraw/zinc/18/35/73/415183573.db2.gz HNRIFQLZZXOULS-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423675083 265390251 /nfs/dbraw/zinc/39/02/51/265390251.db2.gz HNRIFQLZZXOULS-MJBXVCDLSA-N 2 2 342.440 -1.653 20 0 EAADLP CN(C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423681983 415185641 /nfs/dbraw/zinc/18/56/41/415185641.db2.gz NRMCWQMJLSBPCU-IHRRRGAJSA-N 2 2 334.376 -1.148 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423711296 265182514 /nfs/dbraw/zinc/18/25/14/265182514.db2.gz MMLRPLBSQCOMMF-CYBMUJFWSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423711297 415186244 /nfs/dbraw/zinc/18/62/44/415186244.db2.gz MMLRPLBSQCOMMF-ZDUSSCGKSA-N 2 2 342.440 -1.652 20 0 EAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423760398 265221210 /nfs/dbraw/zinc/22/12/10/265221210.db2.gz QFFURIASYLWZKV-OLZOCXBDSA-N 2 2 329.397 -1.174 20 0 EAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCOC1C[NH2+]C1 ZINC000423766741 415182157 /nfs/dbraw/zinc/18/21/57/415182157.db2.gz YLNFTASOITYDQI-UHFFFAOYSA-N 2 2 329.397 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CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428041601 265141608 /nfs/dbraw/zinc/14/16/08/265141608.db2.gz JAKWFFPRKLQIGG-HUUCEWRRSA-N 2 2 337.468 -1.097 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428041602 265230750 /nfs/dbraw/zinc/23/07/50/265230750.db2.gz JAKWFFPRKLQIGG-LSDHHAIUSA-N 2 2 337.468 -1.097 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428041602 265230747 /nfs/dbraw/zinc/23/07/47/265230747.db2.gz JAKWFFPRKLQIGG-LSDHHAIUSA-N 2 2 337.468 -1.097 20 0 EAADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429670280 415192270 /nfs/dbraw/zinc/19/22/70/415192270.db2.gz JQLGXZYCAHTNPR-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429670280 415192263 /nfs/dbraw/zinc/19/22/63/415192263.db2.gz JQLGXZYCAHTNPR-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429670281 415175923 /nfs/dbraw/zinc/17/59/23/415175923.db2.gz JQLGXZYCAHTNPR-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429670281 415175917 /nfs/dbraw/zinc/17/59/17/415175917.db2.gz JQLGXZYCAHTNPR-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C(C)(C)C[NH3+])CC2)CC1 ZINC000429702485 265286178 /nfs/dbraw/zinc/28/61/78/265286178.db2.gz LFBHLMKTGAPJSY-UHFFFAOYSA-N 2 2 347.485 -1.392 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430565846 541321129 /nfs/dbraw/zinc/32/11/29/541321129.db2.gz AWEFCOAVCNMKTK-INIZCTEOSA-N 2 2 325.457 -1.064 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000430565847 265109881 /nfs/dbraw/zinc/10/98/81/265109881.db2.gz AWEFCOAVCNMKTK-MRXNPFEDSA-N 2 2 325.457 -1.064 20 0 EAADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430598311 415193784 /nfs/dbraw/zinc/19/37/84/415193784.db2.gz CJDZCHGJPQWRJJ-CYBMUJFWSA-N 2 2 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EAADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430896862 374901014 /nfs/dbraw/zinc/90/10/14/374901014.db2.gz LOJBLAMYGGOZLB-GFCCVEGCSA-N 2 2 325.413 -1.878 20 0 EAADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430896867 265251858 /nfs/dbraw/zinc/25/18/58/265251858.db2.gz LOJBLAMYGGOZLB-LBPRGKRZSA-N 2 2 325.413 -1.878 20 0 EAADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430896867 265251853 /nfs/dbraw/zinc/25/18/53/265251853.db2.gz LOJBLAMYGGOZLB-LBPRGKRZSA-N 2 2 325.413 -1.878 20 0 EAADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000430911834 374900357 /nfs/dbraw/zinc/90/03/57/374900357.db2.gz DIUPQMZPIDNWJG-CYBMUJFWSA-N 2 2 336.396 -1.416 20 0 EAADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000430911835 415200784 /nfs/dbraw/zinc/20/07/84/415200784.db2.gz DIUPQMZPIDNWJG-ZDUSSCGKSA-N 2 2 336.396 -1.416 20 0 EAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430914485 415200559 /nfs/dbraw/zinc/20/05/59/415200559.db2.gz KYGYVRRXEIICEO-CYBMUJFWSA-N 2 2 340.424 -1.634 20 0 EAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430914486 415198252 /nfs/dbraw/zinc/19/82/52/415198252.db2.gz KYGYVRRXEIICEO-ZDUSSCGKSA-N 2 2 340.424 -1.634 20 0 EAADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1[NH3+] ZINC000430942070 265348082 /nfs/dbraw/zinc/34/80/82/265348082.db2.gz KNFJUGMPWJDOAU-KBPBESRZSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1[NH3+] ZINC000430942070 265348080 /nfs/dbraw/zinc/34/80/80/265348080.db2.gz KNFJUGMPWJDOAU-KBPBESRZSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1[NH3+] ZINC000430942071 265108556 /nfs/dbraw/zinc/10/85/56/265108556.db2.gz KNFJUGMPWJDOAU-KGLIPLIRSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1[NH3+] ZINC000430942071 265108551 /nfs/dbraw/zinc/10/85/51/265108551.db2.gz KNFJUGMPWJDOAU-KGLIPLIRSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC000430942072 415197777 /nfs/dbraw/zinc/19/77/77/415197777.db2.gz KNFJUGMPWJDOAU-UONOGXRCSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC000430942072 415197767 /nfs/dbraw/zinc/19/77/67/415197767.db2.gz KNFJUGMPWJDOAU-UONOGXRCSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC000430942073 265243517 /nfs/dbraw/zinc/24/35/17/265243517.db2.gz KNFJUGMPWJDOAU-ZIAGYGMSSA-N 2 2 325.457 -1.112 20 0 EAADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC000430942073 265243516 /nfs/dbraw/zinc/24/35/16/265243516.db2.gz KNFJUGMPWJDOAU-ZIAGYGMSSA-N 2 2 325.457 -1.112 20 0 EAADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000430962665 415197869 /nfs/dbraw/zinc/19/78/69/415197869.db2.gz DOTQQACNGYJXIG-AWEZNQCLSA-N 2 2 325.457 -1.240 20 0 EAADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000430962665 415197862 /nfs/dbraw/zinc/19/78/62/415197862.db2.gz DOTQQACNGYJXIG-AWEZNQCLSA-N 2 2 325.457 -1.240 20 0 EAADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000430962666 415199208 /nfs/dbraw/zinc/19/92/08/415199208.db2.gz DOTQQACNGYJXIG-CQSZACIVSA-N 2 2 325.457 -1.240 20 0 EAADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000430962666 415199202 /nfs/dbraw/zinc/19/92/02/415199202.db2.gz DOTQQACNGYJXIG-CQSZACIVSA-N 2 2 325.457 -1.240 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431009002 415197678 /nfs/dbraw/zinc/19/76/78/415197678.db2.gz VIUCXVINSMSGCY-UHFFFAOYSA-N 2 2 347.423 -1.853 20 0 EAADLP C[NH+]1CCN(c2ncccc2CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431022529 265057082 /nfs/dbraw/zinc/05/70/82/265057082.db2.gz IMSZAVVMMITCFN-UHFFFAOYSA-N 2 2 346.435 -1.119 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000431047561 415197563 /nfs/dbraw/zinc/19/75/63/415197563.db2.gz CTSPTCWCTACTHK-HNNXBMFYSA-N 2 2 342.465 -1.258 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000431047562 415199737 /nfs/dbraw/zinc/19/97/37/415199737.db2.gz CTSPTCWCTACTHK-OAHLLOKOSA-N 2 2 342.465 -1.258 20 0 EAADLP [NH3+]Cc1nc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cs1 ZINC000431061653 415199482 /nfs/dbraw/zinc/19/94/82/415199482.db2.gz LQXZSAZAZYKJPI-UHFFFAOYSA-N 2 2 327.410 -1.220 20 0 EAADLP O=C(CNC(=O)CN1CC[NH2+]CC1=O)NCC[NH+]1CCOCC1 ZINC000431063203 374900710 /nfs/dbraw/zinc/90/07/10/374900710.db2.gz YNYGCCNMIGYXOG-UHFFFAOYSA-N 2 2 327.385 -3.017 20 0 EAADLP COCC[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000431066709 265055393 /nfs/dbraw/zinc/05/53/93/265055393.db2.gz TZYOYOZIAXXCDF-INIZCTEOSA-N 2 2 342.440 -1.433 20 0 EAADLP COCC[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000431066711 374901139 /nfs/dbraw/zinc/90/11/39/374901139.db2.gz TZYOYOZIAXXCDF-MRXNPFEDSA-N 2 2 342.440 -1.433 20 0 EAADLP O=C(CNC(=O)C[NH2+]C[C@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000431067725 374901283 /nfs/dbraw/zinc/90/12/83/374901283.db2.gz WSRAKDPNOMOYPH-CYBMUJFWSA-N 2 2 328.413 -1.680 20 0 EAADLP O=C(CNC(=O)C[NH2+]C[C@@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000431067726 265344190 /nfs/dbraw/zinc/34/41/90/265344190.db2.gz WSRAKDPNOMOYPH-ZDUSSCGKSA-N 2 2 328.413 -1.680 20 0 EAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000432511652 415196616 /nfs/dbraw/zinc/19/66/16/415196616.db2.gz IAIVRMMZDZWITJ-MELADBBJSA-N 2 2 340.424 -1.899 20 0 EAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432526885 415198352 /nfs/dbraw/zinc/19/83/52/415198352.db2.gz ZYNWJTQBBHCMLQ-RWMBFGLXSA-N 2 2 326.397 -2.242 20 0 EAADLP CC[NH+]1CCN(CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000434328502 265128714 /nfs/dbraw/zinc/12/87/14/265128714.db2.gz ZGHMASBLCVZXCY-INIZCTEOSA-N 2 2 328.457 -1.177 20 0 EAADLP CC[NH+]1CCN(CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000434328723 415203708 /nfs/dbraw/zinc/20/37/08/415203708.db2.gz ZGHMASBLCVZXCY-MRXNPFEDSA-N 2 2 328.457 -1.177 20 0 EAADLP O=C(CNC(=O)C[C@@H]1CSCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000434866254 415204218 /nfs/dbraw/zinc/20/42/18/415204218.db2.gz WIBXHDZISZXZNE-GFCCVEGCSA-N 2 2 330.454 -1.354 20 0 EAADLP O=C(CNC(=O)C[C@H]1CSCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000434866255 265198725 /nfs/dbraw/zinc/19/87/25/265198725.db2.gz WIBXHDZISZXZNE-LBPRGKRZSA-N 2 2 330.454 -1.354 20 0 EAADLP COCC[N@@H+](C)CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435500463 265249751 /nfs/dbraw/zinc/24/97/51/265249751.db2.gz KUVBKVGRBUQQEV-AWEZNQCLSA-N 2 2 332.445 -1.101 20 0 EAADLP COCC[N@H+](C)CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435500463 265249747 /nfs/dbraw/zinc/24/97/47/265249747.db2.gz KUVBKVGRBUQQEV-AWEZNQCLSA-N 2 2 332.445 -1.101 20 0 EAADLP COCC[N@@H+](C)CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435500464 265004127 /nfs/dbraw/zinc/00/41/27/265004127.db2.gz KUVBKVGRBUQQEV-CQSZACIVSA-N 2 2 332.445 -1.101 20 0 EAADLP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067216 265300851 /nfs/dbraw/zinc/30/08/51/265300851.db2.gz SETRKXVLCGEMTA-CHWSQXEVSA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067216 265300849 /nfs/dbraw/zinc/30/08/49/265300849.db2.gz SETRKXVLCGEMTA-CHWSQXEVSA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067217 415203979 /nfs/dbraw/zinc/20/39/79/415203979.db2.gz SETRKXVLCGEMTA-OLZOCXBDSA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067217 415203975 /nfs/dbraw/zinc/20/39/75/415203975.db2.gz SETRKXVLCGEMTA-OLZOCXBDSA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067218 265353264 /nfs/dbraw/zinc/35/32/64/265353264.db2.gz SETRKXVLCGEMTA-QWHCGFSZSA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067218 265353259 /nfs/dbraw/zinc/35/32/59/265353259.db2.gz SETRKXVLCGEMTA-QWHCGFSZSA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067219 265202106 /nfs/dbraw/zinc/20/21/06/265202106.db2.gz SETRKXVLCGEMTA-STQMWFEESA-N 2 2 341.456 -1.101 20 0 EAADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N(C)C ZINC000436067219 265202104 /nfs/dbraw/zinc/20/21/04/265202104.db2.gz SETRKXVLCGEMTA-STQMWFEESA-N 2 2 341.456 -1.101 20 0 EAADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000436069240 415203599 /nfs/dbraw/zinc/20/35/99/415203599.db2.gz YEELMBUJCHIZJQ-GFCCVEGCSA-N 2 2 325.413 -1.736 20 0 EAADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000436069240 415203588 /nfs/dbraw/zinc/20/35/88/415203588.db2.gz YEELMBUJCHIZJQ-GFCCVEGCSA-N 2 2 325.413 -1.736 20 0 EAADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000436069241 374910248 /nfs/dbraw/zinc/91/02/48/374910248.db2.gz YEELMBUJCHIZJQ-LBPRGKRZSA-N 2 2 325.413 -1.736 20 0 EAADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000436069241 374910243 /nfs/dbraw/zinc/91/02/43/374910243.db2.gz YEELMBUJCHIZJQ-LBPRGKRZSA-N 2 2 325.413 -1.736 20 0 EAADLP CNS(=O)(=O)CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000438920969 415205868 /nfs/dbraw/zinc/20/58/68/415205868.db2.gz SIRZHFGXJHPHNG-UHFFFAOYSA-N 2 2 328.442 -1.133 20 0 EAADLP OCC[NH+]1CCN(c2cncc(N3CC[NH+](CCO)CC3)n2)CC1 ZINC000439134199 265240388 /nfs/dbraw/zinc/24/03/88/265240388.db2.gz USWVCPDVFFFTJA-UHFFFAOYSA-N 2 2 336.440 -1.295 20 0 EAADLP CNS(=O)(=O)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000439826626 415209034 /nfs/dbraw/zinc/20/90/34/415209034.db2.gz UIFIUICKYICDGX-UHFFFAOYSA-N 2 2 335.474 -1.139 20 0 EAADLP C[NH+](C)CC(=O)NCCN(CC[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000442815462 265092363 /nfs/dbraw/zinc/09/23/63/265092363.db2.gz WGFGIRALYUWGNJ-UHFFFAOYSA-N 3 2 343.472 -1.613 20 0 EAADLP CN1CCN(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000444098256 265284984 /nfs/dbraw/zinc/28/49/84/265284984.db2.gz PXGBZAAVRRNOGE-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)CC1 ZINC000444137788 374925336 /nfs/dbraw/zinc/92/53/36/374925336.db2.gz DMWOXURIWTUKAS-GFCCVEGCSA-N 2 2 331.442 -2.015 20 0 EAADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000447302497 265323210 /nfs/dbraw/zinc/32/32/10/265323210.db2.gz PPAIOKGCRYZDEH-CLLJXQQHSA-N 2 2 342.444 -1.646 20 0 EAADLP CNC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000447302497 265323205 /nfs/dbraw/zinc/32/32/05/265323205.db2.gz PPAIOKGCRYZDEH-CLLJXQQHSA-N 2 2 342.444 -1.646 20 0 EAADLP CNC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000447302497 265323202 /nfs/dbraw/zinc/32/32/02/265323202.db2.gz PPAIOKGCRYZDEH-CLLJXQQHSA-N 2 2 342.444 -1.646 20 0 EAADLP CNC(=O)N[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000447302502 415217360 /nfs/dbraw/zinc/21/73/60/415217360.db2.gz PPAIOKGCRYZDEH-RYUDHWBXSA-N 2 2 342.444 -1.646 20 0 EAADLP CNC(=O)N[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000447302502 415217348 /nfs/dbraw/zinc/21/73/48/415217348.db2.gz PPAIOKGCRYZDEH-RYUDHWBXSA-N 2 2 342.444 -1.646 20 0 EAADLP CNC(=O)N[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000447302504 265386360 /nfs/dbraw/zinc/38/63/60/265386360.db2.gz PPAIOKGCRYZDEH-VXGBXAGGSA-N 2 2 342.444 -1.646 20 0 EAADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000447438671 415218563 /nfs/dbraw/zinc/21/85/63/415218563.db2.gz HSMCNVSFBDIYLK-KBPBESRZSA-N 2 2 342.440 -1.258 20 0 EAADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000447438672 265349670 /nfs/dbraw/zinc/34/96/70/265349670.db2.gz HSMCNVSFBDIYLK-KGLIPLIRSA-N 2 2 342.440 -1.258 20 0 EAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000447438709 415219209 /nfs/dbraw/zinc/21/92/09/415219209.db2.gz HSMCNVSFBDIYLK-UONOGXRCSA-N 2 2 342.440 -1.258 20 0 EAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000447438710 415216965 /nfs/dbraw/zinc/21/69/65/415216965.db2.gz HSMCNVSFBDIYLK-ZIAGYGMSSA-N 2 2 342.440 -1.258 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCC3)CC2)CC1 ZINC000449222638 374930127 /nfs/dbraw/zinc/93/01/27/374930127.db2.gz MYSOSCLXVPVOJM-UHFFFAOYSA-N 2 2 345.469 -1.496 20 0 EAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740086 265098618 /nfs/dbraw/zinc/09/86/18/265098618.db2.gz DTMGWSGOGINPOH-ILXRZTDVSA-N 2 2 336.436 -1.013 20 0 EAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740087 265003593 /nfs/dbraw/zinc/00/35/93/265003593.db2.gz DTMGWSGOGINPOH-KFWWJZLASA-N 2 2 336.436 -1.013 20 0 EAADLP CC(C)Nc1nc(N2CC[N@@H+](CCO)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000450955437 265053533 /nfs/dbraw/zinc/05/35/33/265053533.db2.gz PUJNMNAWSLXGRU-GFCCVEGCSA-N 2 2 339.444 -1.557 20 0 EAADLP CC(C)Nc1nc(N2CC[N@H+](CCO)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000450955437 265053526 /nfs/dbraw/zinc/05/35/26/265053526.db2.gz PUJNMNAWSLXGRU-GFCCVEGCSA-N 2 2 339.444 -1.557 20 0 EAADLP CC(C)Nc1nc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000450955438 374929116 /nfs/dbraw/zinc/92/91/16/374929116.db2.gz PUJNMNAWSLXGRU-LBPRGKRZSA-N 2 2 339.444 -1.557 20 0 EAADLP CC(C)Nc1nc(N2CC[N@H+](CCO)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000450955438 374929091 /nfs/dbraw/zinc/92/90/91/374929091.db2.gz PUJNMNAWSLXGRU-LBPRGKRZSA-N 2 2 339.444 -1.557 20 0 EAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000459817234 415226588 /nfs/dbraw/zinc/22/65/88/415226588.db2.gz OZZKIVRDVUCQLK-AWEZNQCLSA-N 2 2 342.440 -1.698 20 0 EAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000459817242 415227984 /nfs/dbraw/zinc/22/79/84/415227984.db2.gz OZZKIVRDVUCQLK-CQSZACIVSA-N 2 2 342.440 -1.698 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000459829700 265300032 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CNC(=O)[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541989705 375017249 /nfs/dbraw/zinc/01/72/49/375017249.db2.gz OTDLCDKBOYQUOJ-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CNC(=O)[C@H]1C[NH+](CCCC[N@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541989710 375017350 /nfs/dbraw/zinc/01/73/50/375017350.db2.gz OTDLCDKBOYQUOJ-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CNC(=O)[C@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541989710 375017345 /nfs/dbraw/zinc/01/73/45/375017345.db2.gz OTDLCDKBOYQUOJ-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CNC(=O)[C@H]1C[N@H+](CCCC[NH+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541989710 375017330 /nfs/dbraw/zinc/01/73/30/375017330.db2.gz OTDLCDKBOYQUOJ-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CNC(=O)[C@H]1C[NH+](CCCC[N@@H+]2CCO[C@@H](C(=O)NC)C2)CCO1 ZINC000541989712 375015706 /nfs/dbraw/zinc/01/57/06/375015706.db2.gz OTDLCDKBOYQUOJ-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000548376687 375033069 /nfs/dbraw/zinc/03/30/69/375033069.db2.gz RMWFRXTYZZFCMH-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000548376687 375033061 /nfs/dbraw/zinc/03/30/61/375033061.db2.gz RMWFRXTYZZFCMH-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000548376687 375033057 /nfs/dbraw/zinc/03/30/57/375033057.db2.gz RMWFRXTYZZFCMH-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000548376687 375033049 /nfs/dbraw/zinc/03/30/49/375033049.db2.gz RMWFRXTYZZFCMH-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000548376688 375032601 /nfs/dbraw/zinc/03/26/01/375032601.db2.gz RMWFRXTYZZFCMH-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000548376688 375032598 /nfs/dbraw/zinc/03/25/98/375032598.db2.gz RMWFRXTYZZFCMH-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000548376688 375032595 /nfs/dbraw/zinc/03/25/95/375032595.db2.gz RMWFRXTYZZFCMH-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000548376688 375032592 /nfs/dbraw/zinc/03/25/92/375032592.db2.gz RMWFRXTYZZFCMH-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000548376689 375033419 /nfs/dbraw/zinc/03/34/19/375033419.db2.gz RMWFRXTYZZFCMH-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000548376689 375033413 /nfs/dbraw/zinc/03/34/13/375033413.db2.gz RMWFRXTYZZFCMH-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000548376689 375033405 /nfs/dbraw/zinc/03/34/05/375033405.db2.gz RMWFRXTYZZFCMH-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000548376689 375033396 /nfs/dbraw/zinc/03/33/96/375033396.db2.gz RMWFRXTYZZFCMH-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000548376690 375032463 /nfs/dbraw/zinc/03/24/63/375032463.db2.gz RMWFRXTYZZFCMH-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000548376690 375032458 /nfs/dbraw/zinc/03/24/58/375032458.db2.gz RMWFRXTYZZFCMH-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000548376690 375032454 /nfs/dbraw/zinc/03/24/54/375032454.db2.gz RMWFRXTYZZFCMH-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000548376690 375032449 /nfs/dbraw/zinc/03/24/49/375032449.db2.gz RMWFRXTYZZFCMH-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000548679724 375034425 /nfs/dbraw/zinc/03/44/25/375034425.db2.gz QOKKLSFNVBOTIW-CHWSQXEVSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000548679724 375034421 /nfs/dbraw/zinc/03/44/21/375034421.db2.gz QOKKLSFNVBOTIW-CHWSQXEVSA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000548679724 375034417 /nfs/dbraw/zinc/03/44/17/375034417.db2.gz QOKKLSFNVBOTIW-CHWSQXEVSA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000548679724 375034413 /nfs/dbraw/zinc/03/44/13/375034413.db2.gz QOKKLSFNVBOTIW-CHWSQXEVSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000548679725 375035370 /nfs/dbraw/zinc/03/53/70/375035370.db2.gz QOKKLSFNVBOTIW-OLZOCXBDSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000548679725 375035362 /nfs/dbraw/zinc/03/53/62/375035362.db2.gz QOKKLSFNVBOTIW-OLZOCXBDSA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000548679725 375035356 /nfs/dbraw/zinc/03/53/56/375035356.db2.gz QOKKLSFNVBOTIW-OLZOCXBDSA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000548679725 375035351 /nfs/dbraw/zinc/03/53/51/375035351.db2.gz QOKKLSFNVBOTIW-OLZOCXBDSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000548679726 375035067 /nfs/dbraw/zinc/03/50/67/375035067.db2.gz QOKKLSFNVBOTIW-QWHCGFSZSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000548679726 375035058 /nfs/dbraw/zinc/03/50/58/375035058.db2.gz QOKKLSFNVBOTIW-QWHCGFSZSA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000548679726 375035053 /nfs/dbraw/zinc/03/50/53/375035053.db2.gz QOKKLSFNVBOTIW-QWHCGFSZSA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000548679726 375035047 /nfs/dbraw/zinc/03/50/47/375035047.db2.gz QOKKLSFNVBOTIW-QWHCGFSZSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000548679727 375034471 /nfs/dbraw/zinc/03/44/71/375034471.db2.gz QOKKLSFNVBOTIW-STQMWFEESA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000548679727 375034467 /nfs/dbraw/zinc/03/44/67/375034467.db2.gz QOKKLSFNVBOTIW-STQMWFEESA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000548679727 375034464 /nfs/dbraw/zinc/03/44/64/375034464.db2.gz QOKKLSFNVBOTIW-STQMWFEESA-N 2 2 327.429 -1.092 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000548679727 375034460 /nfs/dbraw/zinc/03/44/60/375034460.db2.gz QOKKLSFNVBOTIW-STQMWFEESA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000548681089 375035022 /nfs/dbraw/zinc/03/50/22/375035022.db2.gz IOFNCDAISSEWLH-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000548681089 375035016 /nfs/dbraw/zinc/03/50/16/375035016.db2.gz IOFNCDAISSEWLH-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000548681089 375035008 /nfs/dbraw/zinc/03/50/08/375035008.db2.gz IOFNCDAISSEWLH-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000548681089 375035003 /nfs/dbraw/zinc/03/50/03/375035003.db2.gz IOFNCDAISSEWLH-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000548681090 375035640 /nfs/dbraw/zinc/03/56/40/375035640.db2.gz IOFNCDAISSEWLH-KGLIPLIRSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000548681090 375035633 /nfs/dbraw/zinc/03/56/33/375035633.db2.gz IOFNCDAISSEWLH-KGLIPLIRSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000548681090 375035625 /nfs/dbraw/zinc/03/56/25/375035625.db2.gz IOFNCDAISSEWLH-KGLIPLIRSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000548681090 375035619 /nfs/dbraw/zinc/03/56/19/375035619.db2.gz IOFNCDAISSEWLH-KGLIPLIRSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000548681091 375035144 /nfs/dbraw/zinc/03/51/44/375035144.db2.gz IOFNCDAISSEWLH-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000548681091 375035137 /nfs/dbraw/zinc/03/51/37/375035137.db2.gz IOFNCDAISSEWLH-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000548681091 375035130 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CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567031075 375070705 /nfs/dbraw/zinc/07/07/05/375070705.db2.gz BZUNCDRTORDLER-LLVKDONJSA-N 2 2 336.462 -1.897 20 0 EAADLP CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567031075 375070699 /nfs/dbraw/zinc/07/06/99/375070699.db2.gz BZUNCDRTORDLER-LLVKDONJSA-N 2 2 336.462 -1.897 20 0 EAADLP CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567031076 375070298 /nfs/dbraw/zinc/07/02/98/375070298.db2.gz BZUNCDRTORDLER-NSHDSACASA-N 2 2 336.462 -1.897 20 0 EAADLP CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567031076 375070294 /nfs/dbraw/zinc/07/02/94/375070294.db2.gz BZUNCDRTORDLER-NSHDSACASA-N 2 2 336.462 -1.897 20 0 EAADLP Nc1cc[nH+]cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567050133 375070275 /nfs/dbraw/zinc/07/02/75/375070275.db2.gz CZXHFHCMNCMLOQ-UHFFFAOYSA-N 2 2 325.394 -1.446 20 0 EAADLP [NH3+]C1CCC(OCC(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000567611144 375072138 /nfs/dbraw/zinc/07/21/38/375072138.db2.gz LGTQSGYBZXMFPK-UHFFFAOYSA-N 2 2 342.440 -1.163 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[NH2+]C3CC3)CC2)CC1 ZINC000567730163 375074793 /nfs/dbraw/zinc/07/47/93/375074793.db2.gz TWFQXNPEPNESJM-UHFFFAOYSA-N 2 2 345.469 -1.625 20 0 EAADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567916416 375076074 /nfs/dbraw/zinc/07/60/74/375076074.db2.gz UTXRFNDPPDJQPJ-NXEZZACHSA-N 2 2 333.348 -1.201 20 0 EAADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567916417 375077045 /nfs/dbraw/zinc/07/70/45/375077045.db2.gz UTXRFNDPPDJQPJ-UWVGGRQHSA-N 2 2 333.348 -1.201 20 0 EAADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567916418 375076865 /nfs/dbraw/zinc/07/68/65/375076865.db2.gz UTXRFNDPPDJQPJ-VHSXEESVSA-N 2 2 333.348 -1.201 20 0 EAADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567916419 375077018 /nfs/dbraw/zinc/07/70/18/375077018.db2.gz UTXRFNDPPDJQPJ-ZJUUUORDSA-N 2 2 333.348 -1.201 20 0 EAADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000568350497 375081130 /nfs/dbraw/zinc/08/11/30/375081130.db2.gz HZJCDBOWNOYKCJ-HNNXBMFYSA-N 2 2 328.457 -1.225 20 0 EAADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000568350497 375081122 /nfs/dbraw/zinc/08/11/22/375081122.db2.gz HZJCDBOWNOYKCJ-HNNXBMFYSA-N 2 2 328.457 -1.225 20 0 EAADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000568350498 375080847 /nfs/dbraw/zinc/08/08/47/375080847.db2.gz HZJCDBOWNOYKCJ-OAHLLOKOSA-N 2 2 328.457 -1.225 20 0 EAADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000568350498 375080838 /nfs/dbraw/zinc/08/08/38/375080838.db2.gz HZJCDBOWNOYKCJ-OAHLLOKOSA-N 2 2 328.457 -1.225 20 0 EAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000568372030 375080263 /nfs/dbraw/zinc/08/02/63/375080263.db2.gz BCOGIFVFMTUXQC-GFCCVEGCSA-N 2 2 325.413 -1.467 20 0 EAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000568372031 375080672 /nfs/dbraw/zinc/08/06/72/375080672.db2.gz BCOGIFVFMTUXQC-LBPRGKRZSA-N 2 2 325.413 -1.467 20 0 EAADLP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000568609999 375082549 /nfs/dbraw/zinc/08/25/49/375082549.db2.gz DTSOHIGUTHRDNF-KBPBESRZSA-N 2 2 342.440 -1.474 20 0 EAADLP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000568610000 375082092 /nfs/dbraw/zinc/08/20/92/375082092.db2.gz DTSOHIGUTHRDNF-KGLIPLIRSA-N 2 2 342.440 -1.474 20 0 EAADLP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000568610001 375081915 /nfs/dbraw/zinc/08/19/15/375081915.db2.gz DTSOHIGUTHRDNF-UONOGXRCSA-N 2 2 342.440 -1.474 20 0 EAADLP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000568610002 375083230 /nfs/dbraw/zinc/08/32/30/375083230.db2.gz DTSOHIGUTHRDNF-ZIAGYGMSSA-N 2 2 342.440 -1.474 20 0 EAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000568856167 375087625 /nfs/dbraw/zinc/08/76/25/375087625.db2.gz OTXCTZGCTYEALW-FRRDWIJNSA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000568856167 375087622 /nfs/dbraw/zinc/08/76/22/375087622.db2.gz OTXCTZGCTYEALW-FRRDWIJNSA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000568856169 375086744 /nfs/dbraw/zinc/08/67/44/375086744.db2.gz OTXCTZGCTYEALW-JHJVBQTASA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000568856169 375086739 /nfs/dbraw/zinc/08/67/39/375086739.db2.gz OTXCTZGCTYEALW-JHJVBQTASA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000568856170 375086401 /nfs/dbraw/zinc/08/64/01/375086401.db2.gz OTXCTZGCTYEALW-RWMBFGLXSA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000568856170 375086395 /nfs/dbraw/zinc/08/63/95/375086395.db2.gz OTXCTZGCTYEALW-RWMBFGLXSA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000568856171 375086536 /nfs/dbraw/zinc/08/65/36/375086536.db2.gz OTXCTZGCTYEALW-YNEHKIRRSA-N 2 2 347.485 -1.011 20 0 EAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000568856171 375086530 /nfs/dbraw/zinc/08/65/30/375086530.db2.gz OTXCTZGCTYEALW-YNEHKIRRSA-N 2 2 347.485 -1.011 20 0 EAADLP Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000568998644 375086865 /nfs/dbraw/zinc/08/68/65/375086865.db2.gz IIEUTXVAYGHVEW-JTQLQIEISA-N 2 2 330.414 -2.200 20 0 EAADLP Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000568998644 375086857 /nfs/dbraw/zinc/08/68/57/375086857.db2.gz IIEUTXVAYGHVEW-JTQLQIEISA-N 2 2 330.414 -2.200 20 0 EAADLP Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000568998647 375086168 /nfs/dbraw/zinc/08/61/68/375086168.db2.gz IIEUTXVAYGHVEW-SNVBAGLBSA-N 2 2 330.414 -2.200 20 0 EAADLP Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000568998647 375086159 /nfs/dbraw/zinc/08/61/59/375086159.db2.gz IIEUTXVAYGHVEW-SNVBAGLBSA-N 2 2 330.414 -2.200 20 0 EAADLP CN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000569822374 374390998 /nfs/dbraw/zinc/39/09/98/374390998.db2.gz UKUZBRKGDGXTAA-CYBMUJFWSA-N 2 2 341.456 -1.685 20 0 EAADLP CN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000569822375 374391863 /nfs/dbraw/zinc/39/18/63/374391863.db2.gz UKUZBRKGDGXTAA-ZDUSSCGKSA-N 2 2 341.456 -1.685 20 0 EAADLP CC(C)Nc1nc(NCC[N@H+]2CCO[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000570149724 374396027 /nfs/dbraw/zinc/39/60/27/374396027.db2.gz QBHNYFSRAGBPDG-GFCCVEGCSA-N 2 2 339.444 -1.506 20 0 EAADLP CC(C)Nc1nc(NCC[N@@H+]2CCO[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000570149724 374396020 /nfs/dbraw/zinc/39/60/20/374396020.db2.gz QBHNYFSRAGBPDG-GFCCVEGCSA-N 2 2 339.444 -1.506 20 0 EAADLP CC(C)Nc1nc(NCC[N@H+]2CCO[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000570149730 374395384 /nfs/dbraw/zinc/39/53/84/374395384.db2.gz QBHNYFSRAGBPDG-LBPRGKRZSA-N 2 2 339.444 -1.506 20 0 EAADLP CC(C)Nc1nc(NCC[N@@H+]2CCO[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000570149730 374395377 /nfs/dbraw/zinc/39/53/77/374395377.db2.gz QBHNYFSRAGBPDG-LBPRGKRZSA-N 2 2 339.444 -1.506 20 0 EAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000570155309 374395252 /nfs/dbraw/zinc/39/52/52/374395252.db2.gz JLEUYUHSXNVIMH-FRRDWIJNSA-N 2 2 328.413 -1.012 20 0 EAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000570155309 374395247 /nfs/dbraw/zinc/39/52/47/374395247.db2.gz JLEUYUHSXNVIMH-FRRDWIJNSA-N 2 2 328.413 -1.012 20 0 EAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000570155312 374395400 /nfs/dbraw/zinc/39/54/00/374395400.db2.gz JLEUYUHSXNVIMH-JHJVBQTASA-N 2 2 328.413 -1.012 20 0 EAADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000570155313 374394431 /nfs/dbraw/zinc/39/44/31/374394431.db2.gz JLEUYUHSXNVIMH-UPJWGTAASA-N 2 2 328.413 -1.012 20 0 EAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000570155315 374395910 /nfs/dbraw/zinc/39/59/10/374395910.db2.gz JLEUYUHSXNVIMH-XQQFMLRXSA-N 2 2 328.413 -1.012 20 0 EAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000570155315 374395904 /nfs/dbraw/zinc/39/59/04/374395904.db2.gz JLEUYUHSXNVIMH-XQQFMLRXSA-N 2 2 328.413 -1.012 20 0 EAADLP Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1C ZINC000570330039 374396771 /nfs/dbraw/zinc/39/67/71/374396771.db2.gz ISVAJKHDFVLUPL-LLVKDONJSA-N 2 2 344.441 -1.892 20 0 EAADLP Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1C ZINC000570330039 374396761 /nfs/dbraw/zinc/39/67/61/374396761.db2.gz ISVAJKHDFVLUPL-LLVKDONJSA-N 2 2 344.441 -1.892 20 0 EAADLP Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1C ZINC000570330046 374397292 /nfs/dbraw/zinc/39/72/92/374397292.db2.gz ISVAJKHDFVLUPL-NSHDSACASA-N 2 2 344.441 -1.892 20 0 EAADLP Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1C ZINC000570330046 374397283 /nfs/dbraw/zinc/39/72/83/374397283.db2.gz ISVAJKHDFVLUPL-NSHDSACASA-N 2 2 344.441 -1.892 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000570412498 374399085 /nfs/dbraw/zinc/39/90/85/374399085.db2.gz OZFXPQBOASDMFV-LBPRGKRZSA-N 2 2 328.413 -1.730 20 0 EAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)[C@H](C[NH3+])C1 ZINC000570617792 374402621 /nfs/dbraw/zinc/40/26/21/374402621.db2.gz XDBNUHFLEOWULH-CYBMUJFWSA-N 2 2 347.485 -1.010 20 0 EAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)[C@H](C[NH3+])C1 ZINC000570617792 374402613 /nfs/dbraw/zinc/40/26/13/374402613.db2.gz XDBNUHFLEOWULH-CYBMUJFWSA-N 2 2 347.485 -1.010 20 0 EAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)[C@@H](C[NH3+])C1 ZINC000570617793 374403204 /nfs/dbraw/zinc/40/32/04/374403204.db2.gz XDBNUHFLEOWULH-ZDUSSCGKSA-N 2 2 347.485 -1.010 20 0 EAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)[C@@H](C[NH3+])C1 ZINC000570617793 374403197 /nfs/dbraw/zinc/40/31/97/374403197.db2.gz XDBNUHFLEOWULH-ZDUSSCGKSA-N 2 2 347.485 -1.010 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000570683784 374403335 /nfs/dbraw/zinc/40/33/35/374403335.db2.gz BZVDGSUYNXGHIN-BETUJISGSA-N 2 2 345.469 -1.640 20 0 EAADLP COC[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000570799414 374405974 /nfs/dbraw/zinc/40/59/74/374405974.db2.gz NAUVSSAHDFBCOS-HNNXBMFYSA-N 2 2 328.413 -1.823 20 0 EAADLP COC[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000570799415 374405107 /nfs/dbraw/zinc/40/51/07/374405107.db2.gz NAUVSSAHDFBCOS-OAHLLOKOSA-N 2 2 328.413 -1.823 20 0 EAADLP O=C(CCn1cc[nH+]c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000570850096 374408145 /nfs/dbraw/zinc/40/81/45/374408145.db2.gz XYDHFECGMNJFNM-UHFFFAOYSA-N 2 2 327.410 -1.281 20 0 EAADLP COC(=O)C1CC[NH+](CCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000570959846 374574053 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[NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CC3)CCN2C1=O ZINC000571583041 374611012 /nfs/dbraw/zinc/61/10/12/374611012.db2.gz SFCPCJYRJKSADV-QWHCGFSZSA-N 2 2 337.424 -1.195 20 0 EAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CC3)CCN2C1=O ZINC000571583042 374612254 /nfs/dbraw/zinc/61/22/54/374612254.db2.gz SFCPCJYRJKSADV-STQMWFEESA-N 2 2 337.424 -1.195 20 0 EAADLP C[N@H+]1CCN(C(=O)COCC(=O)NCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000571684861 374838197 /nfs/dbraw/zinc/83/81/97/374838197.db2.gz ACHSTCIKHKXAAZ-AWEZNQCLSA-N 2 2 335.408 -1.184 20 0 EAADLP C[N@@H+]1CCN(C(=O)COCC(=O)NCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000571684861 374838192 /nfs/dbraw/zinc/83/81/92/374838192.db2.gz ACHSTCIKHKXAAZ-AWEZNQCLSA-N 2 2 335.408 -1.184 20 0 EAADLP C[N@H+]1CCN(C(=O)COCC(=O)NCc2cccnc2)[C@H](C[NH3+])C1 ZINC000571684864 374837055 /nfs/dbraw/zinc/83/70/55/374837055.db2.gz ACHSTCIKHKXAAZ-CQSZACIVSA-N 2 2 335.408 -1.184 20 0 EAADLP C[N@@H+]1CCN(C(=O)COCC(=O)NCc2cccnc2)[C@H](C[NH3+])C1 ZINC000571684864 374837046 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ZINC000573905247 375096240 /nfs/dbraw/zinc/09/62/40/375096240.db2.gz YNMQWXKPZOTFFT-NWDGAFQWSA-N 2 2 333.458 -1.305 20 0 EAADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000573905248 375095721 /nfs/dbraw/zinc/09/57/21/375095721.db2.gz YNMQWXKPZOTFFT-RYUDHWBXSA-N 2 2 333.458 -1.305 20 0 EAADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000573905248 375095716 /nfs/dbraw/zinc/09/57/16/375095716.db2.gz YNMQWXKPZOTFFT-RYUDHWBXSA-N 2 2 333.458 -1.305 20 0 EAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000573905250 375096285 /nfs/dbraw/zinc/09/62/85/375096285.db2.gz YNMQWXKPZOTFFT-VXGBXAGGSA-N 2 2 333.458 -1.305 20 0 EAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000573905250 375096282 /nfs/dbraw/zinc/09/62/82/375096282.db2.gz YNMQWXKPZOTFFT-VXGBXAGGSA-N 2 2 333.458 -1.305 20 0 EAADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c[nH+]1 ZINC000574181098 375098837 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WYKJSIOMLOXQGS-CZUORRHYSA-N 2 2 342.440 -1.307 20 0 EAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)C1 ZINC000578639196 375130425 /nfs/dbraw/zinc/13/04/25/375130425.db2.gz WYKJSIOMLOXQGS-XJKSGUPXSA-N 2 2 342.440 -1.307 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)C1 ZINC000578639196 375130422 /nfs/dbraw/zinc/13/04/22/375130422.db2.gz WYKJSIOMLOXQGS-XJKSGUPXSA-N 2 2 342.440 -1.307 20 0 EAADLP C[NH+](C)[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000578717557 375131972 /nfs/dbraw/zinc/13/19/72/375131972.db2.gz YFYDKRSBAXNHDU-KBPBESRZSA-N 2 2 328.457 -1.180 20 0 EAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579589377 375136017 /nfs/dbraw/zinc/13/60/17/375136017.db2.gz APIVVNWVLTZATQ-AWEZNQCLSA-N 2 2 325.457 -1.051 20 0 EAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579589377 375136012 /nfs/dbraw/zinc/13/60/12/375136012.db2.gz APIVVNWVLTZATQ-AWEZNQCLSA-N 2 2 325.457 -1.051 20 0 EAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000579589378 375136006 /nfs/dbraw/zinc/13/60/06/375136006.db2.gz APIVVNWVLTZATQ-CQSZACIVSA-N 2 2 325.457 -1.051 20 0 EAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000579589378 375136003 /nfs/dbraw/zinc/13/60/03/375136003.db2.gz APIVVNWVLTZATQ-CQSZACIVSA-N 2 2 325.457 -1.051 20 0 EAADLP [NH3+][C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cscn1 ZINC000579590822 375135902 /nfs/dbraw/zinc/13/59/02/375135902.db2.gz IDYPUMYVWHLDSV-LLVKDONJSA-N 2 2 345.450 -1.411 20 0 EAADLP [NH3+][C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cscn1 ZINC000579590823 375136160 /nfs/dbraw/zinc/13/61/60/375136160.db2.gz IDYPUMYVWHLDSV-NSHDSACASA-N 2 2 345.450 -1.411 20 0 EAADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579834613 375138632 /nfs/dbraw/zinc/13/86/32/375138632.db2.gz GAKJZSQNLILRCJ-GHMZBOCLSA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579834613 375138630 /nfs/dbraw/zinc/13/86/30/375138630.db2.gz GAKJZSQNLILRCJ-GHMZBOCLSA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579834614 375138350 /nfs/dbraw/zinc/13/83/50/375138350.db2.gz GAKJZSQNLILRCJ-MNOVXSKESA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579834614 375138339 /nfs/dbraw/zinc/13/83/39/375138339.db2.gz GAKJZSQNLILRCJ-MNOVXSKESA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579834615 375137837 /nfs/dbraw/zinc/13/78/37/375137837.db2.gz GAKJZSQNLILRCJ-QWRGUYRKSA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579834615 375137831 /nfs/dbraw/zinc/13/78/31/375137831.db2.gz GAKJZSQNLILRCJ-QWRGUYRKSA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579834616 375137605 /nfs/dbraw/zinc/13/76/05/375137605.db2.gz GAKJZSQNLILRCJ-WDEREUQCSA-N 2 2 344.441 -1.812 20 0 EAADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579834616 375137599 /nfs/dbraw/zinc/13/75/99/375137599.db2.gz GAKJZSQNLILRCJ-WDEREUQCSA-N 2 2 344.441 -1.812 20 0 EAADLP COCCCS(=O)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000579838606 375137812 /nfs/dbraw/zinc/13/78/12/375137812.db2.gz HVWPHDLTYQTQPW-UHFFFAOYSA-N 2 2 334.486 -1.125 20 0 EAADLP CC1(C)C[N@@H+](CCNC(=O)NCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000580419857 374853951 /nfs/dbraw/zinc/85/39/51/374853951.db2.gz LPFBTTHJRCEKEK-UHFFFAOYSA-N 2 2 327.429 -1.172 20 0 EAADLP CC1(C)C[N@H+](CCNC(=O)NCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000580419857 374853947 /nfs/dbraw/zinc/85/39/47/374853947.db2.gz LPFBTTHJRCEKEK-UHFFFAOYSA-N 2 2 327.429 -1.172 20 0 EAADLP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000580511715 374935943 /nfs/dbraw/zinc/93/59/43/374935943.db2.gz ZLNGCXSDSDQIOB-HNNXBMFYSA-N 2 2 328.457 -1.178 20 0 EAADLP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000580511715 374935939 /nfs/dbraw/zinc/93/59/39/374935939.db2.gz ZLNGCXSDSDQIOB-HNNXBMFYSA-N 2 2 328.457 -1.178 20 0 EAADLP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000580511716 374935495 /nfs/dbraw/zinc/93/54/95/374935495.db2.gz ZLNGCXSDSDQIOB-OAHLLOKOSA-N 2 2 328.457 -1.178 20 0 EAADLP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000580511716 374935487 /nfs/dbraw/zinc/93/54/87/374935487.db2.gz ZLNGCXSDSDQIOB-OAHLLOKOSA-N 2 2 328.457 -1.178 20 0 EAADLP CN(C)S(=O)(=O)N(C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000580558632 375115538 /nfs/dbraw/zinc/11/55/38/375115538.db2.gz HBIMKROOUUKHGI-UHFFFAOYSA-N 2 2 349.501 -1.133 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cn2)CC1 ZINC000581082700 375141993 /nfs/dbraw/zinc/14/19/93/375141993.db2.gz MPLPWIVVQNOTLJ-CABCVRRESA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cn2)CC1 ZINC000581082700 375141989 /nfs/dbraw/zinc/14/19/89/375141989.db2.gz MPLPWIVVQNOTLJ-CABCVRRESA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn2)CC1 ZINC000581082703 375142910 /nfs/dbraw/zinc/14/29/10/375142910.db2.gz MPLPWIVVQNOTLJ-GJZGRUSLSA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn2)CC1 ZINC000581082703 375142905 /nfs/dbraw/zinc/14/29/05/375142905.db2.gz MPLPWIVVQNOTLJ-GJZGRUSLSA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cn2)CC1 ZINC000581082705 375142883 /nfs/dbraw/zinc/14/28/83/375142883.db2.gz MPLPWIVVQNOTLJ-HUUCEWRRSA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cn2)CC1 ZINC000581082705 375142877 /nfs/dbraw/zinc/14/28/77/375142877.db2.gz MPLPWIVVQNOTLJ-HUUCEWRRSA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn2)CC1 ZINC000581082707 375141387 /nfs/dbraw/zinc/14/13/87/375141387.db2.gz MPLPWIVVQNOTLJ-LSDHHAIUSA-N 3 2 345.451 -1.028 20 0 EAADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn2)CC1 ZINC000581082707 375141380 /nfs/dbraw/zinc/14/13/80/375141380.db2.gz MPLPWIVVQNOTLJ-LSDHHAIUSA-N 3 2 345.451 -1.028 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581618790 375146887 /nfs/dbraw/zinc/14/68/87/375146887.db2.gz OVNKAVHHOLUNCV-KGYLQXTDSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581618790 375146882 /nfs/dbraw/zinc/14/68/82/375146882.db2.gz OVNKAVHHOLUNCV-KGYLQXTDSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581618791 375146515 /nfs/dbraw/zinc/14/65/15/375146515.db2.gz OVNKAVHHOLUNCV-RAIGVLPGSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581618791 375146505 /nfs/dbraw/zinc/14/65/05/375146505.db2.gz OVNKAVHHOLUNCV-RAIGVLPGSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581618792 375146848 /nfs/dbraw/zinc/14/68/48/375146848.db2.gz OVNKAVHHOLUNCV-RTXFEEFZSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581618792 375146841 /nfs/dbraw/zinc/14/68/41/375146841.db2.gz OVNKAVHHOLUNCV-RTXFEEFZSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581618793 375146651 /nfs/dbraw/zinc/14/66/51/375146651.db2.gz OVNKAVHHOLUNCV-WXHSDQCUSA-N 2 2 337.424 -1.644 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581618793 375146644 /nfs/dbraw/zinc/14/66/44/375146644.db2.gz OVNKAVHHOLUNCV-WXHSDQCUSA-N 2 2 337.424 -1.644 20 0 EAADLP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@@H](O)C1 ZINC000581951636 375150288 /nfs/dbraw/zinc/15/02/88/375150288.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)CC)C[C@@H](O)C1 ZINC000581951636 375150284 /nfs/dbraw/zinc/15/02/84/375150284.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)C[C@H](O)C1 ZINC000581951636 375150278 /nfs/dbraw/zinc/15/02/78/375150278.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@H](O)C1 ZINC000581951636 375150276 /nfs/dbraw/zinc/15/02/76/375150276.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@H](O)C1 ZINC000581951636 375150274 /nfs/dbraw/zinc/15/02/74/375150274.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@H](O)C1 ZINC000581951636 375150271 /nfs/dbraw/zinc/15/02/71/375150271.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)C[C@@H](O)C1 ZINC000581951636 375150267 /nfs/dbraw/zinc/15/02/67/375150267.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@@H](O)C1 ZINC000581951636 375150264 /nfs/dbraw/zinc/15/02/64/375150264.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC(O)C1 ZINC000581951637 375150366 /nfs/dbraw/zinc/15/03/66/375150366.db2.gz IRYVBGCMCKYNCW-HOTGVXAUSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)CC)CC(O)C1 ZINC000581951637 375150361 /nfs/dbraw/zinc/15/03/61/375150361.db2.gz IRYVBGCMCKYNCW-HOTGVXAUSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC(O)C1 ZINC000581951637 375150359 /nfs/dbraw/zinc/15/03/59/375150359.db2.gz IRYVBGCMCKYNCW-HOTGVXAUSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC(O)C1 ZINC000581951637 375150353 /nfs/dbraw/zinc/15/03/53/375150353.db2.gz IRYVBGCMCKYNCW-HOTGVXAUSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)CC)CC(O)C1 ZINC000581951638 375149927 /nfs/dbraw/zinc/14/99/27/375149927.db2.gz IRYVBGCMCKYNCW-HZPDHXFCSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)CC)CC(O)C1 ZINC000581951638 375149923 /nfs/dbraw/zinc/14/99/23/375149923.db2.gz IRYVBGCMCKYNCW-HZPDHXFCSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC(O)C1 ZINC000581951638 375149921 /nfs/dbraw/zinc/14/99/21/375149921.db2.gz IRYVBGCMCKYNCW-HZPDHXFCSA-N 3 2 346.516 -1.410 20 0 EAADLP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC(O)C1 ZINC000581951638 375149917 /nfs/dbraw/zinc/14/99/17/375149917.db2.gz IRYVBGCMCKYNCW-HZPDHXFCSA-N 3 2 346.516 -1.410 20 0 EAADLP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000582062919 668380385 /nfs/dbraw/zinc/38/03/85/668380385.db2.gz GOZCZWCGNDKMJB-GFCCVEGCSA-N 2 2 348.455 -0.836 20 0 EAADLP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000582062919 668380383 /nfs/dbraw/zinc/38/03/83/668380383.db2.gz GOZCZWCGNDKMJB-GFCCVEGCSA-N 2 2 348.455 -0.836 20 0 EAADLP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000582062920 668380287 /nfs/dbraw/zinc/38/02/87/668380287.db2.gz GOZCZWCGNDKMJB-LBPRGKRZSA-N 2 2 348.455 -0.836 20 0 EAADLP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000582062920 668380283 /nfs/dbraw/zinc/38/02/83/668380283.db2.gz GOZCZWCGNDKMJB-LBPRGKRZSA-N 2 2 348.455 -0.836 20 0 EAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)NCC[NH+]1CCCCC1 ZINC000582179964 374722377 /nfs/dbraw/zinc/72/23/77/374722377.db2.gz MHRJAWWUTGPCSN-CYBMUJFWSA-N 2 2 339.440 -1.475 20 0 EAADLP [NH3+]CC(F)(F)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000582494453 374808950 /nfs/dbraw/zinc/80/89/50/374808950.db2.gz VMKIFXGXUWLFJD-UHFFFAOYSA-N 2 2 326.369 -1.584 20 0 EAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000582544356 374809379 /nfs/dbraw/zinc/80/93/79/374809379.db2.gz JAIMOQNJIIYGTR-AWEZNQCLSA-N 2 2 325.457 -1.192 20 0 EAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000582544356 374809369 /nfs/dbraw/zinc/80/93/69/374809369.db2.gz JAIMOQNJIIYGTR-AWEZNQCLSA-N 2 2 325.457 -1.192 20 0 EAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000582544357 374808714 /nfs/dbraw/zinc/80/87/14/374808714.db2.gz JAIMOQNJIIYGTR-CQSZACIVSA-N 2 2 325.457 -1.192 20 0 EAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000582544357 374808703 /nfs/dbraw/zinc/80/87/03/374808703.db2.gz JAIMOQNJIIYGTR-CQSZACIVSA-N 2 2 325.457 -1.192 20 0 EAADLP C[N@H+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000583381971 374360183 /nfs/dbraw/zinc/36/01/83/374360183.db2.gz YRUPZNULNQNSCQ-GFCCVEGCSA-N 2 2 326.422 -1.022 20 0 EAADLP C[N@@H+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000583381971 374360179 /nfs/dbraw/zinc/36/01/79/374360179.db2.gz YRUPZNULNQNSCQ-GFCCVEGCSA-N 2 2 326.422 -1.022 20 0 EAADLP C[N@H+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000583381972 374360052 /nfs/dbraw/zinc/36/00/52/374360052.db2.gz YRUPZNULNQNSCQ-LBPRGKRZSA-N 2 2 326.422 -1.022 20 0 EAADLP C[N@@H+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000583381972 374360046 /nfs/dbraw/zinc/36/00/46/374360046.db2.gz YRUPZNULNQNSCQ-LBPRGKRZSA-N 2 2 326.422 -1.022 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583440053 374361765 /nfs/dbraw/zinc/36/17/65/374361765.db2.gz HOURXYZQFHCTGJ-CYBMUJFWSA-N 2 2 346.453 -1.847 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583440053 374361760 /nfs/dbraw/zinc/36/17/60/374361760.db2.gz HOURXYZQFHCTGJ-CYBMUJFWSA-N 2 2 346.453 -1.847 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583440054 374362693 /nfs/dbraw/zinc/36/26/93/374362693.db2.gz HOURXYZQFHCTGJ-ZDUSSCGKSA-N 2 2 346.453 -1.847 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583440054 374362685 /nfs/dbraw/zinc/36/26/85/374362685.db2.gz HOURXYZQFHCTGJ-ZDUSSCGKSA-N 2 2 346.453 -1.847 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583705197 374807034 /nfs/dbraw/zinc/80/70/34/374807034.db2.gz LBBYFLQQACGRMT-ZDUSSCGKSA-N 3 2 325.457 -1.051 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583705197 374807026 /nfs/dbraw/zinc/80/70/26/374807026.db2.gz LBBYFLQQACGRMT-ZDUSSCGKSA-N 3 2 325.457 -1.051 20 0 EAADLP Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584230368 415445091 /nfs/dbraw/zinc/44/50/91/415445091.db2.gz AGOZIVNWYPLAEQ-LLVKDONJSA-N 2 2 332.412 -1.033 20 0 EAADLP Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584230368 415445080 /nfs/dbraw/zinc/44/50/80/415445080.db2.gz AGOZIVNWYPLAEQ-LLVKDONJSA-N 2 2 332.412 -1.033 20 0 EAADLP Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584230369 415448617 /nfs/dbraw/zinc/44/86/17/415448617.db2.gz AGOZIVNWYPLAEQ-NSHDSACASA-N 2 2 332.412 -1.033 20 0 EAADLP Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584230369 415448607 /nfs/dbraw/zinc/44/86/07/415448607.db2.gz AGOZIVNWYPLAEQ-NSHDSACASA-N 2 2 332.412 -1.033 20 0 EAADLP O=C(CN1CCOCC1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000584235136 374299871 /nfs/dbraw/zinc/29/98/71/374299871.db2.gz IVMNGRKZPYEOPY-UHFFFAOYSA-N 2 2 325.457 -1.632 20 0 EAADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000584348764 374725170 /nfs/dbraw/zinc/72/51/70/374725170.db2.gz JPVVXCGBIBUZDD-NEPJUHHUSA-N 2 2 342.396 -2.074 20 0 EAADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000584348765 374725427 /nfs/dbraw/zinc/72/54/27/374725427.db2.gz JPVVXCGBIBUZDD-RYUDHWBXSA-N 2 2 342.396 -2.074 20 0 EAADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000584362651 374808374 /nfs/dbraw/zinc/80/83/74/374808374.db2.gz NLYKWEWCWSNTKA-QWHCGFSZSA-N 2 2 332.408 -1.013 20 0 EAADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000584362651 374808368 /nfs/dbraw/zinc/80/83/68/374808368.db2.gz NLYKWEWCWSNTKA-QWHCGFSZSA-N 2 2 332.408 -1.013 20 0 EAADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000584362652 374809108 /nfs/dbraw/zinc/80/91/08/374809108.db2.gz NLYKWEWCWSNTKA-STQMWFEESA-N 2 2 332.408 -1.013 20 0 EAADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000584362652 374809099 /nfs/dbraw/zinc/80/90/99/374809099.db2.gz NLYKWEWCWSNTKA-STQMWFEESA-N 2 2 332.408 -1.013 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000584590065 374823941 /nfs/dbraw/zinc/82/39/41/374823941.db2.gz JCKCMQGQAPPXQC-WBMJQRKESA-N 2 2 337.424 -1.819 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000591420979 374438017 /nfs/dbraw/zinc/43/80/17/374438017.db2.gz KKAWRAWNFGAMGB-GFCCVEGCSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000591420979 374438006 /nfs/dbraw/zinc/43/80/06/374438006.db2.gz KKAWRAWNFGAMGB-GFCCVEGCSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000591420980 374438829 /nfs/dbraw/zinc/43/88/29/374438829.db2.gz KKAWRAWNFGAMGB-LBPRGKRZSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000591420980 374438815 /nfs/dbraw/zinc/43/88/15/374438815.db2.gz KKAWRAWNFGAMGB-LBPRGKRZSA-N 2 2 340.424 -1.050 20 0 EAADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000592480694 374452203 /nfs/dbraw/zinc/45/22/03/374452203.db2.gz JPXVCASHIXGNSY-GFCCVEGCSA-N 2 2 326.397 -1.438 20 0 EAADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000592480694 374452198 /nfs/dbraw/zinc/45/21/98/374452198.db2.gz JPXVCASHIXGNSY-GFCCVEGCSA-N 2 2 326.397 -1.438 20 0 EAADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000592480714 374452663 /nfs/dbraw/zinc/45/26/63/374452663.db2.gz JPXVCASHIXGNSY-LBPRGKRZSA-N 2 2 326.397 -1.438 20 0 EAADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000592480714 374452656 /nfs/dbraw/zinc/45/26/56/374452656.db2.gz JPXVCASHIXGNSY-LBPRGKRZSA-N 2 2 326.397 -1.438 20 0 EAADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000592556397 374454223 /nfs/dbraw/zinc/45/42/23/374454223.db2.gz SDQOKCDBVHGCAZ-GFCCVEGCSA-N 2 2 328.413 -1.194 20 0 EAADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000592556397 374454220 /nfs/dbraw/zinc/45/42/20/374454220.db2.gz SDQOKCDBVHGCAZ-GFCCVEGCSA-N 2 2 328.413 -1.194 20 0 EAADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000592556398 374454764 /nfs/dbraw/zinc/45/47/64/374454764.db2.gz SDQOKCDBVHGCAZ-LBPRGKRZSA-N 2 2 328.413 -1.194 20 0 EAADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000592556398 374454759 /nfs/dbraw/zinc/45/47/59/374454759.db2.gz SDQOKCDBVHGCAZ-LBPRGKRZSA-N 2 2 328.413 -1.194 20 0 EAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)COC1(C)C[NH2+]C1 ZINC000592560252 374454624 /nfs/dbraw/zinc/45/46/24/374454624.db2.gz IUDULEBUJKELLY-UHFFFAOYSA-N 2 2 329.397 -1.301 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000592565961 374451983 /nfs/dbraw/zinc/45/19/83/374451983.db2.gz FOXLJWAAMYYGJZ-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000592565961 374451976 /nfs/dbraw/zinc/45/19/76/374451976.db2.gz FOXLJWAAMYYGJZ-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000592565962 374451655 /nfs/dbraw/zinc/45/16/55/374451655.db2.gz FOXLJWAAMYYGJZ-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000592565962 374451645 /nfs/dbraw/zinc/45/16/45/374451645.db2.gz FOXLJWAAMYYGJZ-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(NS(C)(=O)=O)CC2)C1=O ZINC000592824386 374453986 /nfs/dbraw/zinc/45/39/86/374453986.db2.gz JMORBXZTIBEFHZ-GFCCVEGCSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(NS(C)(=O)=O)CC2)C1=O ZINC000592824390 374454862 /nfs/dbraw/zinc/45/48/62/374454862.db2.gz JMORBXZTIBEFHZ-LBPRGKRZSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000592825467 374454734 /nfs/dbraw/zinc/45/47/34/374454734.db2.gz ZBSCWNFHMZKLBD-NEPJUHHUSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000592825467 374454727 /nfs/dbraw/zinc/45/47/27/374454727.db2.gz ZBSCWNFHMZKLBD-NEPJUHHUSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000592825468 374453913 /nfs/dbraw/zinc/45/39/13/374453913.db2.gz ZBSCWNFHMZKLBD-NWDGAFQWSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000592825468 374453908 /nfs/dbraw/zinc/45/39/08/374453908.db2.gz ZBSCWNFHMZKLBD-NWDGAFQWSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000592825469 374454346 /nfs/dbraw/zinc/45/43/46/374454346.db2.gz ZBSCWNFHMZKLBD-RYUDHWBXSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000592825469 374454342 /nfs/dbraw/zinc/45/43/42/374454342.db2.gz ZBSCWNFHMZKLBD-RYUDHWBXSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000592825470 374453657 /nfs/dbraw/zinc/45/36/57/374453657.db2.gz ZBSCWNFHMZKLBD-VXGBXAGGSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000592825470 374453649 /nfs/dbraw/zinc/45/36/49/374453649.db2.gz ZBSCWNFHMZKLBD-VXGBXAGGSA-N 2 2 346.453 -1.311 20 0 EAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053060 374458215 /nfs/dbraw/zinc/45/82/15/374458215.db2.gz WBWJKADUAABOGN-UHFFFAOYSA-N 2 2 328.413 -1.286 20 0 EAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053060 374458213 /nfs/dbraw/zinc/45/82/13/374458213.db2.gz WBWJKADUAABOGN-UHFFFAOYSA-N 2 2 328.413 -1.286 20 0 EAADLP COC(=O)Cn1cc(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)nn1 ZINC000593053081 374458325 /nfs/dbraw/zinc/45/83/25/374458325.db2.gz WSAVFOYZOFNGGL-UHFFFAOYSA-N 2 2 338.412 -1.301 20 0 EAADLP COC(=O)Cn1cc(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)nn1 ZINC000593053081 374458322 /nfs/dbraw/zinc/45/83/22/374458322.db2.gz WSAVFOYZOFNGGL-UHFFFAOYSA-N 2 2 338.412 -1.301 20 0 EAADLP COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907176 374466168 /nfs/dbraw/zinc/46/61/68/374466168.db2.gz NVNYTBOJYKBAIN-CYBMUJFWSA-N 2 2 330.429 -1.401 20 0 EAADLP COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907177 374465771 /nfs/dbraw/zinc/46/57/71/374465771.db2.gz NVNYTBOJYKBAIN-ZDUSSCGKSA-N 2 2 330.429 -1.401 20 0 EAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875397 374470527 /nfs/dbraw/zinc/47/05/27/374470527.db2.gz DROJHNFVJIIMLL-KBPBESRZSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875397 374470519 /nfs/dbraw/zinc/47/05/19/374470519.db2.gz DROJHNFVJIIMLL-KBPBESRZSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875398 374470927 /nfs/dbraw/zinc/47/09/27/374470927.db2.gz DROJHNFVJIIMLL-KGLIPLIRSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875398 374470924 /nfs/dbraw/zinc/47/09/24/374470924.db2.gz DROJHNFVJIIMLL-KGLIPLIRSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875399 374473004 /nfs/dbraw/zinc/47/30/04/374473004.db2.gz DROJHNFVJIIMLL-UONOGXRCSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875399 374473001 /nfs/dbraw/zinc/47/30/01/374473001.db2.gz DROJHNFVJIIMLL-UONOGXRCSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875400 374472126 /nfs/dbraw/zinc/47/21/26/374472126.db2.gz DROJHNFVJIIMLL-ZIAGYGMSSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CCN2C1=O ZINC000594875400 374472116 /nfs/dbraw/zinc/47/21/16/374472116.db2.gz DROJHNFVJIIMLL-ZIAGYGMSSA-N 2 2 349.435 -1.689 20 0 EAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875457 374472266 /nfs/dbraw/zinc/47/22/66/374472266.db2.gz DSRDLGKFOQQCSE-HTQZYQBOSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875457 374472255 /nfs/dbraw/zinc/47/22/55/374472255.db2.gz DSRDLGKFOQQCSE-HTQZYQBOSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875458 374472596 /nfs/dbraw/zinc/47/25/96/374472596.db2.gz DSRDLGKFOQQCSE-JGVFFNPUSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875458 374472590 /nfs/dbraw/zinc/47/25/90/374472590.db2.gz DSRDLGKFOQQCSE-JGVFFNPUSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875459 374472982 /nfs/dbraw/zinc/47/29/82/374472982.db2.gz DSRDLGKFOQQCSE-SFYZADRCSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875459 374472980 /nfs/dbraw/zinc/47/29/80/374472980.db2.gz DSRDLGKFOQQCSE-SFYZADRCSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875460 374473038 /nfs/dbraw/zinc/47/30/38/374473038.db2.gz DSRDLGKFOQQCSE-YUMQZZPRSA-N 2 2 337.302 -1.382 20 0 EAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000594875460 374473036 /nfs/dbraw/zinc/47/30/36/374473036.db2.gz DSRDLGKFOQQCSE-YUMQZZPRSA-N 2 2 337.302 -1.382 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876301 374471929 /nfs/dbraw/zinc/47/19/29/374471929.db2.gz QMLWCYKCWZFJDY-AGIUHOORSA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876301 374471924 /nfs/dbraw/zinc/47/19/24/374471924.db2.gz QMLWCYKCWZFJDY-AGIUHOORSA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876302 374472935 /nfs/dbraw/zinc/47/29/35/374472935.db2.gz QMLWCYKCWZFJDY-AVGNSLFASA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876302 374472933 /nfs/dbraw/zinc/47/29/33/374472933.db2.gz QMLWCYKCWZFJDY-AVGNSLFASA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876303 374471657 /nfs/dbraw/zinc/47/16/57/374471657.db2.gz QMLWCYKCWZFJDY-UPJWGTAASA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876303 374471648 /nfs/dbraw/zinc/47/16/48/374471648.db2.gz QMLWCYKCWZFJDY-UPJWGTAASA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876304 374471962 /nfs/dbraw/zinc/47/19/62/374471962.db2.gz QMLWCYKCWZFJDY-XQQFMLRXSA-N 2 2 338.408 -1.216 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876304 374471956 /nfs/dbraw/zinc/47/19/56/374471956.db2.gz QMLWCYKCWZFJDY-XQQFMLRXSA-N 2 2 338.408 -1.216 20 0 EAADLP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000595265755 374471996 /nfs/dbraw/zinc/47/19/96/374471996.db2.gz CMQZXORCPGHWOG-AGIUHOORSA-N 2 2 325.413 -1.340 20 0 EAADLP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000595265756 374472919 /nfs/dbraw/zinc/47/29/19/374472919.db2.gz CMQZXORCPGHWOG-FRRDWIJNSA-N 2 2 325.413 -1.340 20 0 EAADLP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000595265757 374473021 /nfs/dbraw/zinc/47/30/21/374473021.db2.gz CMQZXORCPGHWOG-JHJVBQTASA-N 2 2 325.413 -1.340 20 0 EAADLP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000595265758 374472775 /nfs/dbraw/zinc/47/27/75/374472775.db2.gz CMQZXORCPGHWOG-UPJWGTAASA-N 2 2 325.413 -1.340 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000595269583 374475123 /nfs/dbraw/zinc/47/51/23/374475123.db2.gz SKZVPWSBGDZXPL-LOWDOPEQSA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000595269583 374475119 /nfs/dbraw/zinc/47/51/19/374475119.db2.gz SKZVPWSBGDZXPL-LOWDOPEQSA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000595269585 374474867 /nfs/dbraw/zinc/47/48/67/374474867.db2.gz SKZVPWSBGDZXPL-RVMXOQNASA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000595269585 374474856 /nfs/dbraw/zinc/47/48/56/374474856.db2.gz SKZVPWSBGDZXPL-RVMXOQNASA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000595269587 374475026 /nfs/dbraw/zinc/47/50/26/374475026.db2.gz SKZVPWSBGDZXPL-UMSGYPCISA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000595269587 374475015 /nfs/dbraw/zinc/47/50/15/374475015.db2.gz SKZVPWSBGDZXPL-UMSGYPCISA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000595269588 374474975 /nfs/dbraw/zinc/47/49/75/374474975.db2.gz SKZVPWSBGDZXPL-WUHRBBMRSA-N 2 2 325.413 -1.341 20 0 EAADLP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000595269588 374474971 /nfs/dbraw/zinc/47/49/71/374474971.db2.gz SKZVPWSBGDZXPL-WUHRBBMRSA-N 2 2 325.413 -1.341 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000595281832 374475072 /nfs/dbraw/zinc/47/50/72/374475072.db2.gz SHLPUWCCKORATE-NEPJUHHUSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000595281832 374475069 /nfs/dbraw/zinc/47/50/69/374475069.db2.gz SHLPUWCCKORATE-NEPJUHHUSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000595281833 374476629 /nfs/dbraw/zinc/47/66/29/374476629.db2.gz SHLPUWCCKORATE-NWDGAFQWSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000595281833 374476621 /nfs/dbraw/zinc/47/66/21/374476621.db2.gz SHLPUWCCKORATE-NWDGAFQWSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000595281834 374476915 /nfs/dbraw/zinc/47/69/15/374476915.db2.gz SHLPUWCCKORATE-RYUDHWBXSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000595281834 374476909 /nfs/dbraw/zinc/47/69/09/374476909.db2.gz SHLPUWCCKORATE-RYUDHWBXSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000595281835 374477304 /nfs/dbraw/zinc/47/73/04/374477304.db2.gz SHLPUWCCKORATE-VXGBXAGGSA-N 2 2 328.413 -1.194 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000595281835 374477301 /nfs/dbraw/zinc/47/73/01/374477301.db2.gz SHLPUWCCKORATE-VXGBXAGGSA-N 2 2 328.413 -1.194 20 0 EAADLP COC(=O)CCN1CC[C@@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000595294739 374477381 /nfs/dbraw/zinc/47/73/81/374477381.db2.gz DNJZDQGVOSLJLF-CYBMUJFWSA-N 2 2 340.424 -1.144 20 0 EAADLP COC(=O)CCN1CC[C@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000595294740 374477002 /nfs/dbraw/zinc/47/70/02/374477002.db2.gz DNJZDQGVOSLJLF-ZDUSSCGKSA-N 2 2 340.424 -1.144 20 0 EAADLP COC(=O)CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595893689 374481534 /nfs/dbraw/zinc/48/15/34/374481534.db2.gz RTWRQBWHLVWFSL-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595893689 374481530 /nfs/dbraw/zinc/48/15/30/374481530.db2.gz RTWRQBWHLVWFSL-GFCCVEGCSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595893698 374480564 /nfs/dbraw/zinc/48/05/64/374480564.db2.gz RTWRQBWHLVWFSL-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595893698 374480555 /nfs/dbraw/zinc/48/05/55/374480555.db2.gz RTWRQBWHLVWFSL-LBPRGKRZSA-N 2 2 326.397 -1.486 20 0 EAADLP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595894940 374481366 /nfs/dbraw/zinc/48/13/66/374481366.db2.gz YXYXNNLANJGNOD-CYBMUJFWSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CCN1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595894940 374481361 /nfs/dbraw/zinc/48/13/61/374481361.db2.gz YXYXNNLANJGNOD-CYBMUJFWSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595894941 374482045 /nfs/dbraw/zinc/48/20/45/374482045.db2.gz YXYXNNLANJGNOD-ZDUSSCGKSA-N 2 2 340.424 -1.096 20 0 EAADLP COC(=O)CCN1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000595894941 374482035 /nfs/dbraw/zinc/48/20/35/374482035.db2.gz YXYXNNLANJGNOD-ZDUSSCGKSA-N 2 2 340.424 -1.096 20 0 EAADLP [NH3+]CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H](O)CO ZINC000595901139 374481056 /nfs/dbraw/zinc/48/10/56/374481056.db2.gz BBTBPAHQONTQDD-MRVPVSSYSA-N 2 2 330.307 -1.622 20 0 EAADLP [NH3+]CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H](O)CO ZINC000595901139 374481051 /nfs/dbraw/zinc/48/10/51/374481051.db2.gz BBTBPAHQONTQDD-MRVPVSSYSA-N 2 2 330.307 -1.622 20 0 EAADLP [NH3+]CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H](O)CO ZINC000595901140 374480750 /nfs/dbraw/zinc/48/07/50/374480750.db2.gz BBTBPAHQONTQDD-QMMMGPOBSA-N 2 2 330.307 -1.622 20 0 EAADLP [NH3+]CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H](O)CO ZINC000595901140 374480738 /nfs/dbraw/zinc/48/07/38/374480738.db2.gz BBTBPAHQONTQDD-QMMMGPOBSA-N 2 2 330.307 -1.622 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)C1 ZINC000595979425 374485317 /nfs/dbraw/zinc/48/53/17/374485317.db2.gz DQBBPZZJFIXDJD-GFCCVEGCSA-N 2 2 328.413 -1.111 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)C1 ZINC000595979425 374485314 /nfs/dbraw/zinc/48/53/14/374485314.db2.gz DQBBPZZJFIXDJD-GFCCVEGCSA-N 2 2 328.413 -1.111 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])[C@@H](C)C1 ZINC000595979426 374485438 /nfs/dbraw/zinc/48/54/38/374485438.db2.gz DQBBPZZJFIXDJD-LBPRGKRZSA-N 2 2 328.413 -1.111 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])[C@@H](C)C1 ZINC000595979426 374485433 /nfs/dbraw/zinc/48/54/33/374485433.db2.gz DQBBPZZJFIXDJD-LBPRGKRZSA-N 2 2 328.413 -1.111 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)CC2 ZINC000595981008 374485687 /nfs/dbraw/zinc/48/56/87/374485687.db2.gz MQKHDAWUCIFUPP-NEPJUHHUSA-N 2 2 346.391 -1.696 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)CC2 ZINC000595981009 374484740 /nfs/dbraw/zinc/48/47/40/374484740.db2.gz MQKHDAWUCIFUPP-NWDGAFQWSA-N 2 2 346.391 -1.696 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)CC2 ZINC000595981010 374484842 /nfs/dbraw/zinc/48/48/42/374484842.db2.gz MQKHDAWUCIFUPP-RYUDHWBXSA-N 2 2 346.391 -1.696 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)CC2 ZINC000595981011 374484695 /nfs/dbraw/zinc/48/46/95/374484695.db2.gz MQKHDAWUCIFUPP-VXGBXAGGSA-N 2 2 346.391 -1.696 20 0 EAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981026 374485755 /nfs/dbraw/zinc/48/57/55/374485755.db2.gz MXWZRSGWHUMGLU-CHWSQXEVSA-N 2 2 348.407 -1.498 20 0 EAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981027 374485474 /nfs/dbraw/zinc/48/54/74/374485474.db2.gz MXWZRSGWHUMGLU-OLZOCXBDSA-N 2 2 348.407 -1.498 20 0 EAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981028 374484991 /nfs/dbraw/zinc/48/49/91/374484991.db2.gz MXWZRSGWHUMGLU-QWHCGFSZSA-N 2 2 348.407 -1.498 20 0 EAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981029 374484594 /nfs/dbraw/zinc/48/45/94/374484594.db2.gz MXWZRSGWHUMGLU-STQMWFEESA-N 2 2 348.407 -1.498 20 0 EAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595985338 374487010 /nfs/dbraw/zinc/48/70/10/374487010.db2.gz FRGCQJOOFYERFP-CHWSQXEVSA-N 2 2 335.408 -1.937 20 0 EAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595985339 374487111 /nfs/dbraw/zinc/48/71/11/374487111.db2.gz FRGCQJOOFYERFP-OLZOCXBDSA-N 2 2 335.408 -1.937 20 0 EAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595985340 374487441 /nfs/dbraw/zinc/48/74/41/374487441.db2.gz FRGCQJOOFYERFP-QWHCGFSZSA-N 2 2 335.408 -1.937 20 0 EAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595985341 374487239 /nfs/dbraw/zinc/48/72/39/374487239.db2.gz FRGCQJOOFYERFP-STQMWFEESA-N 2 2 335.408 -1.937 20 0 EAADLP COC(=O)CCNC(=O)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000599935666 374525969 /nfs/dbraw/zinc/52/59/69/374525969.db2.gz TWRZIELVINWBOI-LLVKDONJSA-N 2 2 329.401 -1.660 20 0 EAADLP COC(=O)CCNC(=O)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000599935666 374525963 /nfs/dbraw/zinc/52/59/63/374525963.db2.gz TWRZIELVINWBOI-LLVKDONJSA-N 2 2 329.401 -1.660 20 0 EAADLP COC(=O)CCNC(=O)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000599935668 374526255 /nfs/dbraw/zinc/52/62/55/374526255.db2.gz TWRZIELVINWBOI-NSHDSACASA-N 2 2 329.401 -1.660 20 0 EAADLP COC(=O)CCNC(=O)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000599935668 374526251 /nfs/dbraw/zinc/52/62/51/374526251.db2.gz TWRZIELVINWBOI-NSHDSACASA-N 2 2 329.401 -1.660 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000599965044 374524982 /nfs/dbraw/zinc/52/49/82/374524982.db2.gz HSSHQKGKPSZHGX-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000599965044 374524971 /nfs/dbraw/zinc/52/49/71/374524971.db2.gz HSSHQKGKPSZHGX-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000599965048 374525615 /nfs/dbraw/zinc/52/56/15/374525615.db2.gz HSSHQKGKPSZHGX-RWMBFGLXSA-N 2 2 340.424 -1.051 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000599965048 374525605 /nfs/dbraw/zinc/52/56/05/374525605.db2.gz HSSHQKGKPSZHGX-RWMBFGLXSA-N 2 2 340.424 -1.051 20 0 EAADLP CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600714013 374341513 /nfs/dbraw/zinc/34/15/13/374341513.db2.gz NPQTVJOXQNGVGT-UHFFFAOYSA-N 2 2 326.401 -1.525 20 0 EAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000600797020 374343435 /nfs/dbraw/zinc/34/34/35/374343435.db2.gz KVCJFXOZHYMCFL-GFCCVEGCSA-N 2 2 328.413 -1.111 20 0 EAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000600797020 374343423 /nfs/dbraw/zinc/34/34/23/374343423.db2.gz KVCJFXOZHYMCFL-GFCCVEGCSA-N 2 2 328.413 -1.111 20 0 EAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000600797025 374344373 /nfs/dbraw/zinc/34/43/73/374344373.db2.gz KVCJFXOZHYMCFL-LBPRGKRZSA-N 2 2 328.413 -1.111 20 0 EAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000600797025 374344368 /nfs/dbraw/zinc/34/43/68/374344368.db2.gz KVCJFXOZHYMCFL-LBPRGKRZSA-N 2 2 328.413 -1.111 20 0 EAADLP COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000601340819 374424963 /nfs/dbraw/zinc/42/49/63/374424963.db2.gz XFUNWUHGBCREEJ-CHWSQXEVSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000601340824 374424002 /nfs/dbraw/zinc/42/40/02/374424002.db2.gz XFUNWUHGBCREEJ-OLZOCXBDSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000601340825 374424511 /nfs/dbraw/zinc/42/45/11/374424511.db2.gz XFUNWUHGBCREEJ-QWHCGFSZSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000601340827 374424276 /nfs/dbraw/zinc/42/42/76/374424276.db2.gz XFUNWUHGBCREEJ-STQMWFEESA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000601342735 374424641 /nfs/dbraw/zinc/42/46/41/374424641.db2.gz DESKFJPVMPLHOG-CHWSQXEVSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000601342735 374424631 /nfs/dbraw/zinc/42/46/31/374424631.db2.gz DESKFJPVMPLHOG-CHWSQXEVSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000601342736 374423706 /nfs/dbraw/zinc/42/37/06/374423706.db2.gz DESKFJPVMPLHOG-OLZOCXBDSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000601342736 374423701 /nfs/dbraw/zinc/42/37/01/374423701.db2.gz DESKFJPVMPLHOG-OLZOCXBDSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000601342737 374424095 /nfs/dbraw/zinc/42/40/95/374424095.db2.gz DESKFJPVMPLHOG-QWHCGFSZSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000601342737 374424092 /nfs/dbraw/zinc/42/40/92/374424092.db2.gz DESKFJPVMPLHOG-QWHCGFSZSA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000601342738 374425010 /nfs/dbraw/zinc/42/50/10/374425010.db2.gz DESKFJPVMPLHOG-STQMWFEESA-N 2 2 349.453 -1.126 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000601342738 374425004 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COC(=O)CNC(=O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000602748142 374537417 /nfs/dbraw/zinc/53/74/17/374537417.db2.gz OIDNXLYMXGZJNY-UHFFFAOYSA-N 2 2 336.396 -1.393 20 0 EAADLP COC(=O)CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000602989118 374536566 /nfs/dbraw/zinc/53/65/66/374536566.db2.gz DLSNPAYZTHRSFK-CYBMUJFWSA-N 2 2 340.424 -1.144 20 0 EAADLP COC(=O)CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000602989118 374536563 /nfs/dbraw/zinc/53/65/63/374536563.db2.gz DLSNPAYZTHRSFK-CYBMUJFWSA-N 2 2 340.424 -1.144 20 0 EAADLP COC(=O)CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000602989119 374536593 /nfs/dbraw/zinc/53/65/93/374536593.db2.gz DLSNPAYZTHRSFK-ZDUSSCGKSA-N 2 2 340.424 -1.144 20 0 EAADLP COC(=O)CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000602989119 374536591 /nfs/dbraw/zinc/53/65/91/374536591.db2.gz DLSNPAYZTHRSFK-ZDUSSCGKSA-N 2 2 340.424 -1.144 20 0 EAADLP COC(=O)Cn1cc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000602989301 374536486 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CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000603510496 374539036 /nfs/dbraw/zinc/53/90/36/374539036.db2.gz MGADOINKMAVZSG-VXGBXAGGSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000604890625 374549092 /nfs/dbraw/zinc/54/90/92/374549092.db2.gz DRNYEKAIAOEPEN-GHMZBOCLSA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000604890625 374549090 /nfs/dbraw/zinc/54/90/90/374549090.db2.gz DRNYEKAIAOEPEN-GHMZBOCLSA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000604890631 374550733 /nfs/dbraw/zinc/55/07/33/374550733.db2.gz DRNYEKAIAOEPEN-MNOVXSKESA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000604890631 374550721 /nfs/dbraw/zinc/55/07/21/374550721.db2.gz DRNYEKAIAOEPEN-MNOVXSKESA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000604890633 374551057 /nfs/dbraw/zinc/55/10/57/374551057.db2.gz DRNYEKAIAOEPEN-QWRGUYRKSA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000604890633 374551054 /nfs/dbraw/zinc/55/10/54/374551054.db2.gz DRNYEKAIAOEPEN-QWRGUYRKSA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000604890634 374550138 /nfs/dbraw/zinc/55/01/38/374550138.db2.gz DRNYEKAIAOEPEN-WDEREUQCSA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000604890634 374550131 /nfs/dbraw/zinc/55/01/31/374550131.db2.gz DRNYEKAIAOEPEN-WDEREUQCSA-N 2 2 332.426 -1.701 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000608017400 374660869 /nfs/dbraw/zinc/66/08/69/374660869.db2.gz LBAORFVUOYTZOM-NEPJUHHUSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000608017400 374660864 /nfs/dbraw/zinc/66/08/64/374660864.db2.gz LBAORFVUOYTZOM-NEPJUHHUSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000608017402 374662287 /nfs/dbraw/zinc/66/22/87/374662287.db2.gz LBAORFVUOYTZOM-NWDGAFQWSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000608017402 374662283 /nfs/dbraw/zinc/66/22/83/374662283.db2.gz LBAORFVUOYTZOM-NWDGAFQWSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000608017403 374662416 /nfs/dbraw/zinc/66/24/16/374662416.db2.gz LBAORFVUOYTZOM-RYUDHWBXSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000608017403 374662409 /nfs/dbraw/zinc/66/24/09/374662409.db2.gz LBAORFVUOYTZOM-RYUDHWBXSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000608017406 374661412 /nfs/dbraw/zinc/66/14/12/374661412.db2.gz LBAORFVUOYTZOM-VXGBXAGGSA-N 2 2 346.453 -1.311 20 0 EAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000608017406 374661407 /nfs/dbraw/zinc/66/14/07/374661407.db2.gz LBAORFVUOYTZOM-VXGBXAGGSA-N 2 2 346.453 -1.311 20 0 EAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CN1CC[NH+](C)CC1 ZINC000609806546 374754487 /nfs/dbraw/zinc/75/44/87/374754487.db2.gz UHKVYYVIWQGEMX-UHFFFAOYSA-N 2 2 342.440 -1.432 20 0 EAADLP CN(C)S(=O)(=O)NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611973676 374853180 /nfs/dbraw/zinc/85/31/80/374853180.db2.gz KKNHURBGFKERBV-UHFFFAOYSA-N 2 2 335.474 -1.475 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000617763234 374746324 /nfs/dbraw/zinc/74/63/24/374746324.db2.gz KEZDSJOMKBPFQH-CYBMUJFWSA-N 2 2 349.501 -1.098 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000617763234 374746319 /nfs/dbraw/zinc/74/63/19/374746319.db2.gz KEZDSJOMKBPFQH-CYBMUJFWSA-N 2 2 349.501 -1.098 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000617763235 374746346 /nfs/dbraw/zinc/74/63/46/374746346.db2.gz KEZDSJOMKBPFQH-ZDUSSCGKSA-N 2 2 349.501 -1.098 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000617763235 374746341 /nfs/dbraw/zinc/74/63/41/374746341.db2.gz KEZDSJOMKBPFQH-ZDUSSCGKSA-N 2 2 349.501 -1.098 20 0 EAADLP CN(C)S(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764030 374746037 /nfs/dbraw/zinc/74/60/37/374746037.db2.gz GGOYBWIYLZIXRF-UHFFFAOYSA-N 2 2 337.490 -1.276 20 0 EAADLP CN(C)S(=O)(=O)N(C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764030 374746030 /nfs/dbraw/zinc/74/60/30/374746030.db2.gz GGOYBWIYLZIXRF-UHFFFAOYSA-N 2 2 337.490 -1.276 20 0 EAADLP CN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000617766285 374746066 /nfs/dbraw/zinc/74/60/66/374746066.db2.gz DYDICNZSBOKWRI-UHFFFAOYSA-N 2 2 327.385 -1.593 20 0 EAADLP CN1C(=O)C(=O)N(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000617766285 374746060 /nfs/dbraw/zinc/74/60/60/374746060.db2.gz DYDICNZSBOKWRI-UHFFFAOYSA-N 2 2 327.385 -1.593 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000617766964 374747098 /nfs/dbraw/zinc/74/70/98/374747098.db2.gz AJVODZRMTMIAMS-UHFFFAOYSA-N 2 2 346.457 -1.470 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000617766964 374747086 /nfs/dbraw/zinc/74/70/86/374747086.db2.gz AJVODZRMTMIAMS-UHFFFAOYSA-N 2 2 346.457 -1.470 20 0 EAADLP CCN1CCN(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(=O)C1=O ZINC000617766975 374745983 /nfs/dbraw/zinc/74/59/83/374745983.db2.gz BALZDCNDXIHCDU-UHFFFAOYSA-N 2 2 341.456 -1.323 20 0 EAADLP CCN1CCN(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(=O)C1=O ZINC000617766975 374745981 /nfs/dbraw/zinc/74/59/81/374745981.db2.gz BALZDCNDXIHCDU-UHFFFAOYSA-N 2 2 341.456 -1.323 20 0 EAADLP CN(C)C(=O)Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617767054 374747316 /nfs/dbraw/zinc/74/73/16/374747316.db2.gz DVUWFLADZAXZPV-UHFFFAOYSA-N 2 2 339.444 -1.020 20 0 EAADLP CN(C)C(=O)Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617767054 374747308 /nfs/dbraw/zinc/74/73/08/374747308.db2.gz DVUWFLADZAXZPV-UHFFFAOYSA-N 2 2 339.444 -1.020 20 0 EAADLP Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000617768214 374746703 /nfs/dbraw/zinc/74/67/03/374746703.db2.gz UOSWWBKLPVVMKQ-UHFFFAOYSA-N 2 2 325.413 -1.453 20 0 EAADLP Cn1c(=O)ccn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000617768214 374746696 /nfs/dbraw/zinc/74/66/96/374746696.db2.gz UOSWWBKLPVVMKQ-UHFFFAOYSA-N 2 2 325.413 -1.453 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000617768284 374747435 /nfs/dbraw/zinc/74/74/35/374747435.db2.gz XGAKSKZDQHXNAY-UHFFFAOYSA-N 2 2 349.501 -1.098 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000617768284 374747429 /nfs/dbraw/zinc/74/74/29/374747429.db2.gz XGAKSKZDQHXNAY-UHFFFAOYSA-N 2 2 349.501 -1.098 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623417620 374819283 /nfs/dbraw/zinc/81/92/83/374819283.db2.gz GXMOEUBCSBHGRD-CYBMUJFWSA-N 2 2 327.429 -1.173 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623417620 374819272 /nfs/dbraw/zinc/81/92/72/374819272.db2.gz GXMOEUBCSBHGRD-CYBMUJFWSA-N 2 2 327.429 -1.173 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623417621 374819715 /nfs/dbraw/zinc/81/97/15/374819715.db2.gz GXMOEUBCSBHGRD-ZDUSSCGKSA-N 2 2 327.429 -1.173 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623417621 374819712 /nfs/dbraw/zinc/81/97/12/374819712.db2.gz GXMOEUBCSBHGRD-ZDUSSCGKSA-N 2 2 327.429 -1.173 20 0 EAADLP Nc1nc(N)[nH+]c(NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000623833442 375195290 /nfs/dbraw/zinc/19/52/90/375195290.db2.gz GHUQJTQZTUFUTD-UHFFFAOYSA-N 2 2 330.400 -1.467 20 0 EAADLP Nc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc(N)[nH+]1 ZINC000623833442 375195282 /nfs/dbraw/zinc/19/52/82/375195282.db2.gz GHUQJTQZTUFUTD-UHFFFAOYSA-N 2 2 330.400 -1.467 20 0 EAADLP Nc1nc(N)[nH+]c(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000623939252 375198009 /nfs/dbraw/zinc/19/80/09/375198009.db2.gz KHCSFSPPLPXDOU-UHFFFAOYSA-N 2 2 344.427 -1.077 20 0 EAADLP Nc1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc(N)[nH+]1 ZINC000623939252 375197997 /nfs/dbraw/zinc/19/79/97/375197997.db2.gz KHCSFSPPLPXDOU-UHFFFAOYSA-N 2 2 344.427 -1.077 20 0 EAADLP Nc1nc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624407736 374298009 /nfs/dbraw/zinc/29/80/09/374298009.db2.gz PETGFVLZORVPKK-INIZCTEOSA-N 2 2 345.407 -1.206 20 0 EAADLP Nc1nc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624407736 374298004 /nfs/dbraw/zinc/29/80/04/374298004.db2.gz PETGFVLZORVPKK-INIZCTEOSA-N 2 2 345.407 -1.206 20 0 EAADLP Nc1nc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624407737 374297495 /nfs/dbraw/zinc/29/74/95/374297495.db2.gz PETGFVLZORVPKK-MRXNPFEDSA-N 2 2 345.407 -1.206 20 0 EAADLP Nc1nc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624407737 374297486 /nfs/dbraw/zinc/29/74/86/374297486.db2.gz PETGFVLZORVPKK-MRXNPFEDSA-N 2 2 345.407 -1.206 20 0 EAADLP CC(C)Nc1nc(NCC[N@H+]2CC[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000624682501 374250534 /nfs/dbraw/zinc/25/05/34/374250534.db2.gz RYCKVXBFODBTRI-LLVKDONJSA-N 2 2 325.417 -2.160 20 0 EAADLP CC(C)Nc1nc(NCC[N@@H+]2CC[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000624682501 374250527 /nfs/dbraw/zinc/25/05/27/374250527.db2.gz RYCKVXBFODBTRI-LLVKDONJSA-N 2 2 325.417 -2.160 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000624724606 374250465 /nfs/dbraw/zinc/25/04/65/374250465.db2.gz BVWHYOKMCMQZRT-CYBMUJFWSA-N 2 2 327.429 -1.268 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000624724606 374250459 /nfs/dbraw/zinc/25/04/59/374250459.db2.gz BVWHYOKMCMQZRT-CYBMUJFWSA-N 2 2 327.429 -1.268 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000624724607 374250271 /nfs/dbraw/zinc/25/02/71/374250271.db2.gz BVWHYOKMCMQZRT-ZDUSSCGKSA-N 2 2 327.429 -1.268 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000624724607 374250267 /nfs/dbraw/zinc/25/02/67/374250267.db2.gz BVWHYOKMCMQZRT-ZDUSSCGKSA-N 2 2 327.429 -1.268 20 0 EAADLP CC(C)Nc1nc(NCC[N@H+]2CC[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000624777450 374250575 /nfs/dbraw/zinc/25/05/75/374250575.db2.gz RYCKVXBFODBTRI-NSHDSACASA-N 2 2 325.417 -2.160 20 0 EAADLP CC(C)Nc1nc(NCC[N@@H+]2CC[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000624777450 374250567 /nfs/dbraw/zinc/25/05/67/374250567.db2.gz RYCKVXBFODBTRI-NSHDSACASA-N 2 2 325.417 -2.160 20 0 EAADLP O[C@H]1C[NH+](Cc2ccc(F)c(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000625713683 669320705 /nfs/dbraw/zinc/32/07/05/669320705.db2.gz QRTREZLQKOULDD-VGWMRTNUSA-N 2 2 326.368 -1.100 20 0 EAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961929 374352093 /nfs/dbraw/zinc/35/20/93/374352093.db2.gz CEZKHFGVPKNGCC-HNNXBMFYSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961929 374352086 /nfs/dbraw/zinc/35/20/86/374352086.db2.gz CEZKHFGVPKNGCC-HNNXBMFYSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961929 374352081 /nfs/dbraw/zinc/35/20/81/374352081.db2.gz CEZKHFGVPKNGCC-HNNXBMFYSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961929 374352075 /nfs/dbraw/zinc/35/20/75/374352075.db2.gz CEZKHFGVPKNGCC-HNNXBMFYSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961930 374352035 /nfs/dbraw/zinc/35/20/35/374352035.db2.gz CEZKHFGVPKNGCC-OAHLLOKOSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961930 374352030 /nfs/dbraw/zinc/35/20/30/374352030.db2.gz CEZKHFGVPKNGCC-OAHLLOKOSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961930 374352024 /nfs/dbraw/zinc/35/20/24/374352024.db2.gz CEZKHFGVPKNGCC-OAHLLOKOSA-N 2 2 344.456 -1.404 20 0 EAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000625961930 374352015 /nfs/dbraw/zinc/35/20/15/374352015.db2.gz CEZKHFGVPKNGCC-OAHLLOKOSA-N 2 2 344.456 -1.404 20 0 EAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(NS(N)(=O)=O)CC2)CC1 ZINC000626033602 374353752 /nfs/dbraw/zinc/35/37/52/374353752.db2.gz WAXVDSOQOMIWLK-GFCCVEGCSA-N 2 2 347.485 -1.204 20 0 EAADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(NS(N)(=O)=O)CC2)CC1 ZINC000626033603 374353984 /nfs/dbraw/zinc/35/39/84/374353984.db2.gz WAXVDSOQOMIWLK-LBPRGKRZSA-N 2 2 347.485 -1.204 20 0 EAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cn1c[nH+]cc1C ZINC000626442393 374757736 /nfs/dbraw/zinc/75/77/36/374757736.db2.gz FBBZMXSPTIXCEY-ZDUSSCGKSA-N 2 2 334.380 -1.010 20 0 EAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000627183523 374985717 /nfs/dbraw/zinc/98/57/17/374985717.db2.gz LOVVMYGWSBLCQF-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 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C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627405188 374614655 /nfs/dbraw/zinc/61/46/55/374614655.db2.gz WSDUTTKXMNUNMO-TZMCWYRMSA-N 2 2 335.408 -1.138 20 0 EAADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(=O)NC1C[NH2+]C1 ZINC000627407070 375204960 /nfs/dbraw/zinc/20/49/60/375204960.db2.gz CYEWBBRWJPPURI-AWEZNQCLSA-N 2 2 333.392 -1.513 20 0 EAADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(=O)NC1C[NH2+]C1 ZINC000627407070 375204950 /nfs/dbraw/zinc/20/49/50/375204950.db2.gz CYEWBBRWJPPURI-AWEZNQCLSA-N 2 2 333.392 -1.513 20 0 EAADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(=O)NC1C[NH2+]C1 ZINC000627407071 375205179 /nfs/dbraw/zinc/20/51/79/375205179.db2.gz CYEWBBRWJPPURI-CQSZACIVSA-N 2 2 333.392 -1.513 20 0 EAADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(=O)NC1C[NH2+]C1 ZINC000627407071 375205172 /nfs/dbraw/zinc/20/51/72/375205172.db2.gz CYEWBBRWJPPURI-CQSZACIVSA-N 2 2 333.392 -1.513 20 0 EAADLP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627411687 375205850 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O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000627473330 375212129 /nfs/dbraw/zinc/21/21/29/375212129.db2.gz LSOZRCQJSGTMAY-ZDUSSCGKSA-N 2 2 340.424 -1.586 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473919 375214332 /nfs/dbraw/zinc/21/43/32/375214332.db2.gz ZVKWCKMJMBJLAH-CHWSQXEVSA-N 2 2 328.413 -1.730 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473920 375213878 /nfs/dbraw/zinc/21/38/78/375213878.db2.gz ZVKWCKMJMBJLAH-OLZOCXBDSA-N 2 2 328.413 -1.730 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473921 375213693 /nfs/dbraw/zinc/21/36/93/375213693.db2.gz ZVKWCKMJMBJLAH-QWHCGFSZSA-N 2 2 328.413 -1.730 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473922 375213996 /nfs/dbraw/zinc/21/39/96/375213996.db2.gz ZVKWCKMJMBJLAH-STQMWFEESA-N 2 2 328.413 -1.730 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473937 375214376 /nfs/dbraw/zinc/21/43/76/375214376.db2.gz AEUXDJUSGOINMM-CYBMUJFWSA-N 2 2 328.413 -1.728 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473938 375212163 /nfs/dbraw/zinc/21/21/63/375212163.db2.gz AEUXDJUSGOINMM-ZDUSSCGKSA-N 2 2 328.413 -1.728 20 0 EAADLP Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc[nH+]1 ZINC000627474019 375213216 /nfs/dbraw/zinc/21/32/16/375213216.db2.gz BWJLHQJUVDCJPC-CYBMUJFWSA-N 2 2 348.407 -1.462 20 0 EAADLP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc[nH+]1 ZINC000627474020 375213609 /nfs/dbraw/zinc/21/36/09/375213609.db2.gz BWJLHQJUVDCJPC-ZDUSSCGKSA-N 2 2 348.407 -1.462 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000627474536 375212887 /nfs/dbraw/zinc/21/28/87/375212887.db2.gz QSZAQUYRVINNCQ-KBPBESRZSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000627474537 375212471 /nfs/dbraw/zinc/21/24/71/375212471.db2.gz QSZAQUYRVINNCQ-KGLIPLIRSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000627474538 375212091 /nfs/dbraw/zinc/21/20/91/375212091.db2.gz QSZAQUYRVINNCQ-UONOGXRCSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000627474539 375212828 /nfs/dbraw/zinc/21/28/28/375212828.db2.gz QSZAQUYRVINNCQ-ZIAGYGMSSA-N 2 2 340.424 -1.586 20 0 EAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627475357 375215776 /nfs/dbraw/zinc/21/57/76/375215776.db2.gz LGQNBGKGCVOQLN-CYBMUJFWSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627475358 375215316 /nfs/dbraw/zinc/21/53/16/375215316.db2.gz LGQNBGKGCVOQLN-ZDUSSCGKSA-N 2 2 342.440 -1.340 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627475425 375215704 /nfs/dbraw/zinc/21/57/04/375215704.db2.gz MFAVRONKHLQPFO-CHWSQXEVSA-N 2 2 326.397 -1.976 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627475426 375216135 /nfs/dbraw/zinc/21/61/35/375216135.db2.gz MFAVRONKHLQPFO-OLZOCXBDSA-N 2 2 326.397 -1.976 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627475427 375215641 /nfs/dbraw/zinc/21/56/41/375215641.db2.gz MFAVRONKHLQPFO-QWHCGFSZSA-N 2 2 326.397 -1.976 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627475428 375215429 /nfs/dbraw/zinc/21/54/29/375215429.db2.gz MFAVRONKHLQPFO-STQMWFEESA-N 2 2 326.397 -1.976 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000627475679 375215223 /nfs/dbraw/zinc/21/52/23/375215223.db2.gz SCAXXEORYSWNIA-CYBMUJFWSA-N 2 2 333.392 -1.165 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000627475680 375215587 /nfs/dbraw/zinc/21/55/87/375215587.db2.gz SCAXXEORYSWNIA-ZDUSSCGKSA-N 2 2 333.392 -1.165 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627476020 375215731 /nfs/dbraw/zinc/21/57/31/375215731.db2.gz YVJVAYILHHGFAZ-AWEZNQCLSA-N 2 2 342.440 -1.340 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627476021 375215298 /nfs/dbraw/zinc/21/52/98/375215298.db2.gz YVJVAYILHHGFAZ-CQSZACIVSA-N 2 2 342.440 -1.340 20 0 EAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000627484739 375215853 /nfs/dbraw/zinc/21/58/53/375215853.db2.gz HPEFUHQPIYLSDA-AWEZNQCLSA-N 2 2 342.440 -1.209 20 0 EAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000627484740 375216238 /nfs/dbraw/zinc/21/62/38/375216238.db2.gz HPEFUHQPIYLSDA-CQSZACIVSA-N 2 2 342.440 -1.209 20 0 EAADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627486539 375217187 /nfs/dbraw/zinc/21/71/87/375217187.db2.gz DIAKMVRJSXRHPK-UHFFFAOYSA-N 2 2 330.429 -1.305 20 0 EAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627486539 375217177 /nfs/dbraw/zinc/21/71/77/375217177.db2.gz DIAKMVRJSXRHPK-UHFFFAOYSA-N 2 2 330.429 -1.305 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627487916 375217684 /nfs/dbraw/zinc/21/76/84/375217684.db2.gz NKPQWWPRBHCOIO-CYBMUJFWSA-N 2 2 330.429 -1.353 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627487917 375217127 /nfs/dbraw/zinc/21/71/27/375217127.db2.gz NKPQWWPRBHCOIO-ZDUSSCGKSA-N 2 2 330.429 -1.353 20 0 EAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000627489158 375217896 /nfs/dbraw/zinc/21/78/96/375217896.db2.gz TUUWJOFKQRJIML-AWEZNQCLSA-N 2 2 342.440 -1.209 20 0 EAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000627489159 375218038 /nfs/dbraw/zinc/21/80/38/375218038.db2.gz TUUWJOFKQRJIML-CQSZACIVSA-N 2 2 342.440 -1.209 20 0 EAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627489646 375218160 /nfs/dbraw/zinc/21/81/60/375218160.db2.gz ICJJQUXMECTWPK-CYBMUJFWSA-N 2 2 328.413 -1.599 20 0 EAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627489647 375217281 /nfs/dbraw/zinc/21/72/81/375217281.db2.gz ICJJQUXMECTWPK-ZDUSSCGKSA-N 2 2 328.413 -1.599 20 0 EAADLP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627493273 375217089 /nfs/dbraw/zinc/21/70/89/375217089.db2.gz BYTBUENTHBUQCO-AWEZNQCLSA-N 2 2 335.408 -1.184 20 0 EAADLP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627493273 375217082 /nfs/dbraw/zinc/21/70/82/375217082.db2.gz BYTBUENTHBUQCO-AWEZNQCLSA-N 2 2 335.408 -1.184 20 0 EAADLP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627493274 375217768 /nfs/dbraw/zinc/21/77/68/375217768.db2.gz BYTBUENTHBUQCO-CQSZACIVSA-N 2 2 335.408 -1.184 20 0 EAADLP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627493274 375217763 /nfs/dbraw/zinc/21/77/63/375217763.db2.gz BYTBUENTHBUQCO-CQSZACIVSA-N 2 2 335.408 -1.184 20 0 EAADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(=O)N1CC[NH2+]CC1 ZINC000627493568 375218254 /nfs/dbraw/zinc/21/82/54/375218254.db2.gz LJBBUARLNXEWTG-HNNXBMFYSA-N 2 2 347.419 -1.170 20 0 EAADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(=O)N1CC[NH2+]CC1 ZINC000627493568 375218248 /nfs/dbraw/zinc/21/82/48/375218248.db2.gz LJBBUARLNXEWTG-HNNXBMFYSA-N 2 2 347.419 -1.170 20 0 EAADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(=O)N1CC[NH2+]CC1 ZINC000627493569 375218387 /nfs/dbraw/zinc/21/83/87/375218387.db2.gz LJBBUARLNXEWTG-OAHLLOKOSA-N 2 2 347.419 -1.170 20 0 EAADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(=O)N1CC[NH2+]CC1 ZINC000627493569 375218380 /nfs/dbraw/zinc/21/83/80/375218380.db2.gz LJBBUARLNXEWTG-OAHLLOKOSA-N 2 2 347.419 -1.170 20 0 EAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627493903 375218021 /nfs/dbraw/zinc/21/80/21/375218021.db2.gz VBQULIJWLNVLRX-CABCVRRESA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627493903 375218014 /nfs/dbraw/zinc/21/80/14/375218014.db2.gz VBQULIJWLNVLRX-CABCVRRESA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627493904 375217968 /nfs/dbraw/zinc/21/79/68/375217968.db2.gz VBQULIJWLNVLRX-GJZGRUSLSA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627493904 375217962 /nfs/dbraw/zinc/21/79/62/375217962.db2.gz VBQULIJWLNVLRX-GJZGRUSLSA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627493905 375217805 /nfs/dbraw/zinc/21/78/05/375217805.db2.gz VBQULIJWLNVLRX-HUUCEWRRSA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627493905 375217797 /nfs/dbraw/zinc/21/77/97/375217797.db2.gz VBQULIJWLNVLRX-HUUCEWRRSA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627493906 375217159 /nfs/dbraw/zinc/21/71/59/375217159.db2.gz VBQULIJWLNVLRX-LSDHHAIUSA-N 2 2 347.419 -1.042 20 0 EAADLP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627493906 375217149 /nfs/dbraw/zinc/21/71/49/375217149.db2.gz VBQULIJWLNVLRX-LSDHHAIUSA-N 2 2 347.419 -1.042 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627498202 375217914 /nfs/dbraw/zinc/21/79/14/375217914.db2.gz MCXWBRLFVIYSAW-GXTWGEPZSA-N 2 2 342.440 -1.341 20 0 EAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000627499102 375219633 /nfs/dbraw/zinc/21/96/33/375219633.db2.gz ZGNURBWWXXSPLJ-QWHCGFSZSA-N 2 2 334.424 -1.069 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627503617 375219418 /nfs/dbraw/zinc/21/94/18/375219418.db2.gz UZJOHUOXXKVNGF-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627504009 375220191 /nfs/dbraw/zinc/22/01/91/375220191.db2.gz OZFXPQBOASDMFV-GFCCVEGCSA-N 2 2 328.413 -1.730 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627507234 375219820 /nfs/dbraw/zinc/21/98/20/375219820.db2.gz IDGOCLPQHPEPEB-CYBMUJFWSA-N 2 2 328.413 -1.728 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507288 375219479 /nfs/dbraw/zinc/21/94/79/375219479.db2.gz LBBYFLQQACGRMT-CYBMUJFWSA-N 3 2 325.457 -1.051 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507288 375219477 /nfs/dbraw/zinc/21/94/77/375219477.db2.gz LBBYFLQQACGRMT-CYBMUJFWSA-N 3 2 325.457 -1.051 20 0 EAADLP C[NH+]1CCN(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000628577294 374895644 /nfs/dbraw/zinc/89/56/44/374895644.db2.gz OBHFNURSUKJQSP-KRWDZBQOSA-N 2 2 340.468 -1.034 20 0 EAADLP C[NH+]1CCN(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000628577294 374895637 /nfs/dbraw/zinc/89/56/37/374895637.db2.gz OBHFNURSUKJQSP-KRWDZBQOSA-N 2 2 340.468 -1.034 20 0 EAADLP C[NH+]1CCN(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000628577297 374894357 /nfs/dbraw/zinc/89/43/57/374894357.db2.gz OBHFNURSUKJQSP-QGZVFWFLSA-N 2 2 340.468 -1.034 20 0 EAADLP C[NH+]1CCN(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000628577297 374894347 /nfs/dbraw/zinc/89/43/47/374894347.db2.gz OBHFNURSUKJQSP-QGZVFWFLSA-N 2 2 340.468 -1.034 20 0 EAADLP CCS(=O)(=O)NCCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629547244 374931829 /nfs/dbraw/zinc/93/18/29/374931829.db2.gz SGKABIWPBBPHCC-UHFFFAOYSA-N 2 2 347.485 -1.041 20 0 EAADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000629569367 374932042 /nfs/dbraw/zinc/93/20/42/374932042.db2.gz BJKGIXXMLGAMGP-UHFFFAOYSA-N 2 2 327.385 -1.983 20 0 EAADLP C[NH2+]CCOCC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000629569367 374932038 /nfs/dbraw/zinc/93/20/38/374932038.db2.gz BJKGIXXMLGAMGP-UHFFFAOYSA-N 2 2 327.385 -1.983 20 0 EAADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000629571367 374932103 /nfs/dbraw/zinc/93/21/03/374932103.db2.gz SYZGVMMVHSDRFS-JTQLQIEISA-N 2 2 341.412 -1.595 20 0 EAADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000629571367 374932099 /nfs/dbraw/zinc/93/20/99/374932099.db2.gz SYZGVMMVHSDRFS-JTQLQIEISA-N 2 2 341.412 -1.595 20 0 EAADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000629571368 374931051 /nfs/dbraw/zinc/93/10/51/374931051.db2.gz SYZGVMMVHSDRFS-SNVBAGLBSA-N 2 2 341.412 -1.595 20 0 EAADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000629571368 374931039 /nfs/dbraw/zinc/93/10/39/374931039.db2.gz SYZGVMMVHSDRFS-SNVBAGLBSA-N 2 2 341.412 -1.595 20 0 EAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCOCC[NH3+] ZINC000629579140 374933114 /nfs/dbraw/zinc/93/31/14/374933114.db2.gz ZGZPWJHCJZVBFP-SECBINFHSA-N 2 2 327.385 -1.856 20 0 EAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCOCC[NH3+] ZINC000629579140 374933107 /nfs/dbraw/zinc/93/31/07/374933107.db2.gz ZGZPWJHCJZVBFP-SECBINFHSA-N 2 2 327.385 -1.856 20 0 EAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCOCC[NH3+] ZINC000629579143 374933920 /nfs/dbraw/zinc/93/39/20/374933920.db2.gz ZGZPWJHCJZVBFP-VIFPVBQESA-N 2 2 327.385 -1.856 20 0 EAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCOCC[NH3+] ZINC000629579143 374933915 /nfs/dbraw/zinc/93/39/15/374933915.db2.gz ZGZPWJHCJZVBFP-VIFPVBQESA-N 2 2 327.385 -1.856 20 0 EAADLP CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629585935 374933383 /nfs/dbraw/zinc/93/33/83/374933383.db2.gz HSQPBTNDGJUZMK-GFCCVEGCSA-N 2 2 334.442 -1.942 20 0 EAADLP CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629585935 374933375 /nfs/dbraw/zinc/93/33/75/374933375.db2.gz HSQPBTNDGJUZMK-GFCCVEGCSA-N 2 2 334.442 -1.942 20 0 EAADLP CS(=O)(=O)NC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629585936 374932754 /nfs/dbraw/zinc/93/27/54/374932754.db2.gz HSQPBTNDGJUZMK-LBPRGKRZSA-N 2 2 334.442 -1.942 20 0 EAADLP CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629585936 374932745 /nfs/dbraw/zinc/93/27/45/374932745.db2.gz HSQPBTNDGJUZMK-LBPRGKRZSA-N 2 2 334.442 -1.942 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000629605947 374934013 /nfs/dbraw/zinc/93/40/13/374934013.db2.gz AUXQVNUQTAIXSH-CHWSQXEVSA-N 2 2 328.413 -1.994 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000629605948 374933648 /nfs/dbraw/zinc/93/36/48/374933648.db2.gz AUXQVNUQTAIXSH-OLZOCXBDSA-N 2 2 328.413 -1.994 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000629605949 374933335 /nfs/dbraw/zinc/93/33/35/374933335.db2.gz AUXQVNUQTAIXSH-QWHCGFSZSA-N 2 2 328.413 -1.994 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000629605950 374933872 /nfs/dbraw/zinc/93/38/72/374933872.db2.gz AUXQVNUQTAIXSH-STQMWFEESA-N 2 2 328.413 -1.994 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000629606853 374935239 /nfs/dbraw/zinc/93/52/39/374935239.db2.gz NLEQOIHXZWMDBF-KBPBESRZSA-N 2 2 342.440 -1.604 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000629606854 374935098 /nfs/dbraw/zinc/93/50/98/374935098.db2.gz NLEQOIHXZWMDBF-KGLIPLIRSA-N 2 2 342.440 -1.604 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000629606855 374935116 /nfs/dbraw/zinc/93/51/16/374935116.db2.gz NLEQOIHXZWMDBF-UONOGXRCSA-N 2 2 342.440 -1.604 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000629606856 374935029 /nfs/dbraw/zinc/93/50/29/374935029.db2.gz NLEQOIHXZWMDBF-ZIAGYGMSSA-N 2 2 342.440 -1.604 20 0 EAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000629786300 374937118 /nfs/dbraw/zinc/93/71/18/374937118.db2.gz SDWVHVNJGZMCET-AWEZNQCLSA-N 2 2 342.440 -1.257 20 0 EAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000629786301 374937395 /nfs/dbraw/zinc/93/73/95/374937395.db2.gz SDWVHVNJGZMCET-CQSZACIVSA-N 2 2 342.440 -1.257 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629787667 374937138 /nfs/dbraw/zinc/93/71/38/374937138.db2.gz IEDVGSZVBAVRCK-UHFFFAOYSA-N 2 2 330.429 -1.399 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000629788255 374937288 /nfs/dbraw/zinc/93/72/88/374937288.db2.gz NZIRGXWFCITTKO-UHFFFAOYSA-N 2 2 330.429 -1.529 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000629795112 374939231 /nfs/dbraw/zinc/93/92/31/374939231.db2.gz GYQLUKZVIPWCCM-UHFFFAOYSA-N 2 2 330.429 -1.529 20 0 EAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000629796906 374940888 /nfs/dbraw/zinc/94/08/88/374940888.db2.gz LNPIOEOBNXRERM-AWEZNQCLSA-N 2 2 342.440 -1.257 20 0 EAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629797494 374939162 /nfs/dbraw/zinc/93/91/62/374939162.db2.gz CWWGXHQAYVWJKP-UHFFFAOYSA-N 2 2 344.456 -1.011 20 0 EAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629798600 374938319 /nfs/dbraw/zinc/93/83/19/374938319.db2.gz UUYROJBHYSQNPS-OKILXGFUSA-N 2 2 344.456 -1.012 20 0 EAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)O1 ZINC000629798600 374938315 /nfs/dbraw/zinc/93/83/15/374938315.db2.gz UUYROJBHYSQNPS-OKILXGFUSA-N 2 2 344.456 -1.012 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629801605 374939242 /nfs/dbraw/zinc/93/92/42/374939242.db2.gz NCCLVBKOAMYMGD-CYBMUJFWSA-N 2 2 330.429 -1.401 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629801606 374939044 /nfs/dbraw/zinc/93/90/44/374939044.db2.gz NCCLVBKOAMYMGD-ZDUSSCGKSA-N 2 2 330.429 -1.401 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000629802957 374941098 /nfs/dbraw/zinc/94/10/98/374941098.db2.gz XSAWTMBVWQBGDJ-AWEZNQCLSA-N 2 2 344.456 -1.140 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000629802958 374940249 /nfs/dbraw/zinc/94/02/49/374940249.db2.gz XSAWTMBVWQBGDJ-CQSZACIVSA-N 2 2 344.456 -1.140 20 0 EAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000629804304 374942693 /nfs/dbraw/zinc/94/26/93/374942693.db2.gz DSRPVTOVBGAYNP-UHFFFAOYSA-N 2 2 330.429 -1.399 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000629804658 374941974 /nfs/dbraw/zinc/94/19/74/374941974.db2.gz GCAGQXYJXDPXKF-AWEZNQCLSA-N 2 2 342.440 -1.386 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000629804659 374941952 /nfs/dbraw/zinc/94/19/52/374941952.db2.gz GCAGQXYJXDPXKF-CQSZACIVSA-N 2 2 342.440 -1.386 20 0 EAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000629805709 374942460 /nfs/dbraw/zinc/94/24/60/374942460.db2.gz PFEVOANMCOBZQM-CYBMUJFWSA-N 2 2 328.413 -1.647 20 0 EAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000629805711 374942105 /nfs/dbraw/zinc/94/21/05/374942105.db2.gz PFEVOANMCOBZQM-ZDUSSCGKSA-N 2 2 328.413 -1.647 20 0 EAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000629816834 374945688 /nfs/dbraw/zinc/94/56/88/374945688.db2.gz XYXPGLFKSMRAGO-KBPBESRZSA-N 2 2 326.441 -1.032 20 0 EAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000629816837 374944810 /nfs/dbraw/zinc/94/48/10/374944810.db2.gz XYXPGLFKSMRAGO-UONOGXRCSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000629816948 374946688 /nfs/dbraw/zinc/94/66/88/374946688.db2.gz RWNRUYAWMUWZPX-ZDUSSCGKSA-N 2 2 330.429 -1.794 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629821510 374947110 /nfs/dbraw/zinc/94/71/10/374947110.db2.gz CWNJPBQIGFPMNA-RRQGHBQHSA-N 2 2 338.452 -1.031 20 0 EAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000631680357 375034622 /nfs/dbraw/zinc/03/46/22/375034622.db2.gz ZDMWYSSYUWNVHU-UHFFFAOYSA-N 2 2 334.486 -1.436 20 0 EAADLP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631757747 375227608 /nfs/dbraw/zinc/22/76/08/375227608.db2.gz HGWCSRSFTPYLJP-CYBMUJFWSA-N 2 2 348.469 -1.647 20 0 EAADLP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631757747 375227602 /nfs/dbraw/zinc/22/76/02/375227602.db2.gz HGWCSRSFTPYLJP-CYBMUJFWSA-N 2 2 348.469 -1.647 20 0 EAADLP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631757748 375227037 /nfs/dbraw/zinc/22/70/37/375227037.db2.gz HGWCSRSFTPYLJP-ZDUSSCGKSA-N 2 2 348.469 -1.647 20 0 EAADLP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631757748 375227036 /nfs/dbraw/zinc/22/70/36/375227036.db2.gz HGWCSRSFTPYLJP-ZDUSSCGKSA-N 2 2 348.469 -1.647 20 0 EAADLP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631765027 375229583 /nfs/dbraw/zinc/22/95/83/375229583.db2.gz BWDXJSGDVUQXAP-CYBMUJFWSA-N 2 2 348.469 -1.600 20 0 EAADLP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631765027 375229575 /nfs/dbraw/zinc/22/95/75/375229575.db2.gz BWDXJSGDVUQXAP-CYBMUJFWSA-N 2 2 348.469 -1.600 20 0 EAADLP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631765028 375230354 /nfs/dbraw/zinc/23/03/54/375230354.db2.gz BWDXJSGDVUQXAP-ZDUSSCGKSA-N 2 2 348.469 -1.600 20 0 EAADLP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631765028 375230343 /nfs/dbraw/zinc/23/03/43/375230343.db2.gz BWDXJSGDVUQXAP-ZDUSSCGKSA-N 2 2 348.469 -1.600 20 0 EAADLP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631867809 375229230 /nfs/dbraw/zinc/22/92/30/375229230.db2.gz KXVLNLRFBLZOBF-PBHICJAKSA-N 2 2 337.468 -1.050 20 0 EAADLP CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631912559 375230646 /nfs/dbraw/zinc/23/06/46/375230646.db2.gz PHQGICMEYMXRNM-CYBMUJFWSA-N 2 2 348.469 -1.552 20 0 EAADLP CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631912559 375230643 /nfs/dbraw/zinc/23/06/43/375230643.db2.gz PHQGICMEYMXRNM-CYBMUJFWSA-N 2 2 348.469 -1.552 20 0 EAADLP CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631912560 375230555 /nfs/dbraw/zinc/23/05/55/375230555.db2.gz PHQGICMEYMXRNM-ZDUSSCGKSA-N 2 2 348.469 -1.552 20 0 EAADLP CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631912560 375230549 /nfs/dbraw/zinc/23/05/49/375230549.db2.gz PHQGICMEYMXRNM-ZDUSSCGKSA-N 2 2 348.469 -1.552 20 0 EAADLP C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631915231 375229527 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C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632007216 375234232 /nfs/dbraw/zinc/23/42/32/375234232.db2.gz CLFDCYNPMMHSGO-HNNXBMFYSA-N 2 2 348.513 -1.048 20 0 EAADLP C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632007217 375234349 /nfs/dbraw/zinc/23/43/49/375234349.db2.gz CLFDCYNPMMHSGO-OAHLLOKOSA-N 2 2 348.513 -1.048 20 0 EAADLP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000632020404 375234767 /nfs/dbraw/zinc/23/47/67/375234767.db2.gz DUYBQFKOLYLPGI-KBPBESRZSA-N 2 2 334.486 -1.128 20 0 EAADLP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000632020404 375234763 /nfs/dbraw/zinc/23/47/63/375234763.db2.gz DUYBQFKOLYLPGI-KBPBESRZSA-N 2 2 334.486 -1.128 20 0 EAADLP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000632020405 375234155 /nfs/dbraw/zinc/23/41/55/375234155.db2.gz DUYBQFKOLYLPGI-KGLIPLIRSA-N 2 2 334.486 -1.128 20 0 EAADLP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000632020405 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374331504 /nfs/dbraw/zinc/33/15/04/374331504.db2.gz AZKICCAXXNWRJG-AWEZNQCLSA-N 2 2 334.486 -1.126 20 0 EAADLP CC[NH+]1CCN(CCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632253776 374332712 /nfs/dbraw/zinc/33/27/12/374332712.db2.gz AZKICCAXXNWRJG-CQSZACIVSA-N 2 2 334.486 -1.126 20 0 EAADLP CC[NH+]1CCN(CCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632253776 374332706 /nfs/dbraw/zinc/33/27/06/374332706.db2.gz AZKICCAXXNWRJG-CQSZACIVSA-N 2 2 334.486 -1.126 20 0 EAADLP C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632429695 375239717 /nfs/dbraw/zinc/23/97/17/375239717.db2.gz QHQCHZXJAZWGRT-HNNXBMFYSA-N 2 2 348.513 -1.048 20 0 EAADLP C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632429695 375239710 /nfs/dbraw/zinc/23/97/10/375239710.db2.gz QHQCHZXJAZWGRT-HNNXBMFYSA-N 2 2 348.513 -1.048 20 0 EAADLP C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632429696 375239751 /nfs/dbraw/zinc/23/97/51/375239751.db2.gz QHQCHZXJAZWGRT-OAHLLOKOSA-N 2 2 348.513 -1.048 20 0 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UCXIOCPRRQQWFP-AWEZNQCLSA-N 2 2 334.486 -1.438 20 0 EAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000632576548 375238520 /nfs/dbraw/zinc/23/85/20/375238520.db2.gz UCXIOCPRRQQWFP-AWEZNQCLSA-N 2 2 334.486 -1.438 20 0 EAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000632576549 375238775 /nfs/dbraw/zinc/23/87/75/375238775.db2.gz UCXIOCPRRQQWFP-CQSZACIVSA-N 2 2 334.486 -1.438 20 0 EAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000632576549 375238770 /nfs/dbraw/zinc/23/87/70/375238770.db2.gz UCXIOCPRRQQWFP-CQSZACIVSA-N 2 2 334.486 -1.438 20 0 EAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000632652842 375241700 /nfs/dbraw/zinc/24/17/00/375241700.db2.gz QWKZREKOPCKURS-UHFFFAOYSA-N 2 2 336.396 -1.400 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000632854160 375245119 /nfs/dbraw/zinc/24/51/19/375245119.db2.gz CKDSIHZGPMKSLR-AWEZNQCLSA-N 2 2 325.413 -1.132 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000632854170 375245031 /nfs/dbraw/zinc/24/50/31/375245031.db2.gz CKDSIHZGPMKSLR-CQSZACIVSA-N 2 2 325.413 -1.132 20 0 EAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633028161 415407987 /nfs/dbraw/zinc/40/79/87/415407987.db2.gz BPFNCAGPWMXXIM-STQMWFEESA-N 2 2 348.407 -1.274 20 0 EAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633030289 375245394 /nfs/dbraw/zinc/24/53/94/375245394.db2.gz ROOSAWYLJXNBHP-JSGCOSHPSA-N 2 2 348.407 -1.274 20 0 EAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633089897 375245870 /nfs/dbraw/zinc/24/58/70/375245870.db2.gz PQWOJIRGHZIPRL-STQMWFEESA-N 2 2 332.408 -1.363 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633101177 375245805 /nfs/dbraw/zinc/24/58/05/375245805.db2.gz ATIQOOKOBPQYBN-STQMWFEESA-N 2 2 340.424 -1.635 20 0 EAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633101907 375246632 /nfs/dbraw/zinc/24/66/32/375246632.db2.gz FGCLPKIAFYPCRC-AWEZNQCLSA-N 2 2 346.435 -1.016 20 0 EAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633101924 375247282 /nfs/dbraw/zinc/24/72/82/375247282.db2.gz FGCLPKIAFYPCRC-CQSZACIVSA-N 2 2 346.435 -1.016 20 0 EAADLP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633103031 375246772 /nfs/dbraw/zinc/24/67/72/375246772.db2.gz MFTBTGFBLXABGV-UHFFFAOYSA-N 2 2 346.435 -1.015 20 0 EAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633103116 375246755 /nfs/dbraw/zinc/24/67/55/375246755.db2.gz MYESDNWTWDGEQQ-HNNXBMFYSA-N 2 2 346.435 -1.016 20 0 EAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633103117 375246977 /nfs/dbraw/zinc/24/69/77/375246977.db2.gz MYESDNWTWDGEQQ-OAHLLOKOSA-N 2 2 346.435 -1.016 20 0 EAADLP O=C(C(=O)N1CC[NH+](CCc2cnccn2)CC1)N1CC[NH2+]CC1 ZINC000633103197 375246518 /nfs/dbraw/zinc/24/65/18/375246518.db2.gz OJVBKIWSWXTMRS-UHFFFAOYSA-N 2 2 332.408 -1.405 20 0 EAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633103959 375246498 /nfs/dbraw/zinc/24/64/98/375246498.db2.gz XFMMJWDXDWFUAA-CYBMUJFWSA-N 2 2 332.408 -1.277 20 0 EAADLP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633103960 375247579 /nfs/dbraw/zinc/24/75/79/375247579.db2.gz XFMMJWDXDWFUAA-ZDUSSCGKSA-N 2 2 332.408 -1.277 20 0 EAADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633104950 375246832 /nfs/dbraw/zinc/24/68/32/375246832.db2.gz JKOZGUMSZAEHEY-CYBMUJFWSA-N 2 2 334.424 -1.031 20 0 EAADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633104951 375246794 /nfs/dbraw/zinc/24/67/94/375246794.db2.gz JKOZGUMSZAEHEY-ZDUSSCGKSA-N 2 2 334.424 -1.031 20 0 EAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC[NH2+]1 ZINC000633107271 374823821 /nfs/dbraw/zinc/82/38/21/374823821.db2.gz YNMAGJZUCLDMLD-AWEZNQCLSA-N 2 2 346.435 -1.016 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC[NH2+]1 ZINC000633107274 374824098 /nfs/dbraw/zinc/82/40/98/374824098.db2.gz YNMAGJZUCLDMLD-CQSZACIVSA-N 2 2 346.435 -1.016 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cnccn3)CC2)C[C@H]1[NH3+] ZINC000633107308 375247429 /nfs/dbraw/zinc/24/74/29/375247429.db2.gz YWMYFQRILXTDNY-UKRRQHHQSA-N 2 2 346.435 -1.031 20 0 EAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633110243 375247725 /nfs/dbraw/zinc/24/77/25/375247725.db2.gz UBJJNIIMYQVFOL-UHFFFAOYSA-N 2 2 334.424 -1.030 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633112386 375246739 /nfs/dbraw/zinc/24/67/39/375246739.db2.gz YSEYRUVUNQGLQU-KBPBESRZSA-N 2 2 340.424 -1.634 20 0 EAADLP O=C(C(=O)N1CC[NH+](CCc2cnccn2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633112671 375247106 /nfs/dbraw/zinc/24/71/06/375247106.db2.gz FLFZKXPDRNMRJI-GJZGRUSLSA-N 2 2 344.419 -1.264 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000633114080 375246585 /nfs/dbraw/zinc/24/65/85/375246585.db2.gz SHYMKFSBBXONNN-MCIONIFRSA-N 2 2 342.440 -1.809 20 0 EAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000633114082 375247495 /nfs/dbraw/zinc/24/74/95/375247495.db2.gz SHYMKFSBBXONNN-MGPQQGTHSA-N 2 2 342.440 -1.809 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633115074 374826273 /nfs/dbraw/zinc/82/62/73/374826273.db2.gz MSQYHBVCNAUZOT-AVGNSLFASA-N 2 2 326.397 -2.289 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633115077 374825294 /nfs/dbraw/zinc/82/52/94/374825294.db2.gz MSQYHBVCNAUZOT-RWMBFGLXSA-N 2 2 326.397 -2.289 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633115941 375246701 /nfs/dbraw/zinc/24/67/01/375246701.db2.gz YOUPQDAQJCSRGV-HZSPNIEDSA-N 2 2 340.424 -1.899 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633115942 375247419 /nfs/dbraw/zinc/24/74/19/375247419.db2.gz YOUPQDAQJCSRGV-MJBXVCDLSA-N 2 2 340.424 -1.899 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633120454 375247518 /nfs/dbraw/zinc/24/75/18/375247518.db2.gz SJDLEZGZUSSVEE-KBPBESRZSA-N 2 2 342.440 -1.258 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633120455 375246539 /nfs/dbraw/zinc/24/65/39/375246539.db2.gz SJDLEZGZUSSVEE-KGLIPLIRSA-N 2 2 342.440 -1.258 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633120456 375247074 /nfs/dbraw/zinc/24/70/74/375247074.db2.gz SJDLEZGZUSSVEE-UONOGXRCSA-N 2 2 342.440 -1.258 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633120457 375248317 /nfs/dbraw/zinc/24/83/17/375248317.db2.gz SJDLEZGZUSSVEE-ZIAGYGMSSA-N 2 2 342.440 -1.258 20 0 EAADLP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633122510 375249290 /nfs/dbraw/zinc/24/92/90/375249290.db2.gz ZXQQQHXIJJXFHH-UHFFFAOYSA-N 2 2 334.424 -1.030 20 0 EAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000633139088 375248848 /nfs/dbraw/zinc/24/88/48/375248848.db2.gz HAGVJJNLVKMWKS-AGIUHOORSA-N 2 2 328.413 -1.914 20 0 EAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000633139093 375249066 /nfs/dbraw/zinc/24/90/66/375249066.db2.gz HAGVJJNLVKMWKS-FRRDWIJNSA-N 2 2 328.413 -1.914 20 0 EAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000633139094 375248920 /nfs/dbraw/zinc/24/89/20/375248920.db2.gz HAGVJJNLVKMWKS-JHJVBQTASA-N 2 2 328.413 -1.914 20 0 EAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000633139095 375249271 /nfs/dbraw/zinc/24/92/71/375249271.db2.gz HAGVJJNLVKMWKS-UPJWGTAASA-N 2 2 328.413 -1.914 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(CC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000634993660 374366980 /nfs/dbraw/zinc/36/69/80/374366980.db2.gz BCQZAGSBHNQVPS-UHFFFAOYSA-N 2 2 343.497 -1.152 20 0 EAADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000635257758 374372054 /nfs/dbraw/zinc/37/20/54/374372054.db2.gz AFYGEEQZNIUTID-CYBMUJFWSA-N 2 2 347.485 -1.427 20 0 EAADLP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000636317531 374405345 /nfs/dbraw/zinc/40/53/45/374405345.db2.gz HTUIBFPTPJJORH-AWEZNQCLSA-N 2 2 325.457 -1.145 20 0 EAADLP C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000636317532 374405039 /nfs/dbraw/zinc/40/50/39/374405039.db2.gz HTUIBFPTPJJORH-CQSZACIVSA-N 2 2 325.457 -1.145 20 0 EAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000636550206 374428772 /nfs/dbraw/zinc/42/87/72/374428772.db2.gz NLCQFGDNFYWRCF-CYBMUJFWSA-N 2 2 327.429 -1.220 20 0 EAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000636550206 374428766 /nfs/dbraw/zinc/42/87/66/374428766.db2.gz NLCQFGDNFYWRCF-CYBMUJFWSA-N 2 2 327.429 -1.220 20 0 EAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000636550207 374429720 /nfs/dbraw/zinc/42/97/20/374429720.db2.gz NLCQFGDNFYWRCF-ZDUSSCGKSA-N 2 2 327.429 -1.220 20 0 EAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000636550207 374429709 /nfs/dbraw/zinc/42/97/09/374429709.db2.gz NLCQFGDNFYWRCF-ZDUSSCGKSA-N 2 2 327.429 -1.220 20 0 EAADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC000636985457 374546623 /nfs/dbraw/zinc/54/66/23/374546623.db2.gz CUPYBIKMSYBPTG-UHFFFAOYSA-N 2 2 347.485 -1.045 20 0 EAADLP C[NH+]1CCOC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375811 374561608 /nfs/dbraw/zinc/56/16/08/374561608.db2.gz XRGXBFHUUGGLIH-OLZOCXBDSA-N 2 2 327.429 -1.044 20 0 EAADLP C[NH+]1CCOC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375811 374561605 /nfs/dbraw/zinc/56/16/05/374561605.db2.gz XRGXBFHUUGGLIH-OLZOCXBDSA-N 2 2 327.429 -1.044 20 0 EAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637375811 374561601 /nfs/dbraw/zinc/56/16/01/374561601.db2.gz XRGXBFHUUGGLIH-OLZOCXBDSA-N 2 2 327.429 -1.044 20 0 EAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637375811 374561596 /nfs/dbraw/zinc/56/15/96/374561596.db2.gz XRGXBFHUUGGLIH-OLZOCXBDSA-N 2 2 327.429 -1.044 20 0 EAADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375812 374561547 /nfs/dbraw/zinc/56/15/47/374561547.db2.gz XRGXBFHUUGGLIH-STQMWFEESA-N 2 2 327.429 -1.044 20 0 EAADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375812 374561545 /nfs/dbraw/zinc/56/15/45/374561545.db2.gz XRGXBFHUUGGLIH-STQMWFEESA-N 2 2 327.429 -1.044 20 0 EAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637375812 374561541 /nfs/dbraw/zinc/56/15/41/374561541.db2.gz XRGXBFHUUGGLIH-STQMWFEESA-N 2 2 327.429 -1.044 20 0 EAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637375812 374561537 /nfs/dbraw/zinc/56/15/37/374561537.db2.gz XRGXBFHUUGGLIH-STQMWFEESA-N 2 2 327.429 -1.044 20 0 EAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637439856 374569909 /nfs/dbraw/zinc/56/99/09/374569909.db2.gz FCQYESAGRZQNCS-CYBMUJFWSA-N 2 2 329.445 -1.022 20 0 EAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637439856 374569906 /nfs/dbraw/zinc/56/99/06/374569906.db2.gz FCQYESAGRZQNCS-CYBMUJFWSA-N 2 2 329.445 -1.022 20 0 EAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637439857 374569920 /nfs/dbraw/zinc/56/99/20/374569920.db2.gz FCQYESAGRZQNCS-ZDUSSCGKSA-N 2 2 329.445 -1.022 20 0 EAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637439857 374569916 /nfs/dbraw/zinc/56/99/16/374569916.db2.gz FCQYESAGRZQNCS-ZDUSSCGKSA-N 2 2 329.445 -1.022 20 0 EAADLP CC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000637932412 374630002 /nfs/dbraw/zinc/63/00/02/374630002.db2.gz PDXSNKQOARXXLJ-CYBMUJFWSA-N 2 2 347.485 -1.379 20 0 EAADLP CC[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000637932413 374630290 /nfs/dbraw/zinc/63/02/90/374630290.db2.gz PDXSNKQOARXXLJ-ZDUSSCGKSA-N 2 2 347.485 -1.379 20 0 EAADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638058728 374635831 /nfs/dbraw/zinc/63/58/31/374635831.db2.gz RZQKBWXGPOXSDK-UHFFFAOYSA-N 2 2 325.457 -1.096 20 0 EAADLP C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638064905 374636197 /nfs/dbraw/zinc/63/61/97/374636197.db2.gz QDDOJTLGAUROGX-GFCCVEGCSA-N 2 2 325.413 -1.913 20 0 EAADLP C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638064906 374636131 /nfs/dbraw/zinc/63/61/31/374636131.db2.gz QDDOJTLGAUROGX-LBPRGKRZSA-N 2 2 325.413 -1.913 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638069825 374636652 /nfs/dbraw/zinc/63/66/52/374636652.db2.gz ULVUZBMIBMDFLQ-LLVKDONJSA-N 2 2 325.413 -1.867 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638069833 374636074 /nfs/dbraw/zinc/63/60/74/374636074.db2.gz ULVUZBMIBMDFLQ-NSHDSACASA-N 2 2 325.413 -1.867 20 0 EAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638069981 374635733 /nfs/dbraw/zinc/63/57/33/374635733.db2.gz OENLXGYTVSNZAG-GFCCVEGCSA-N 2 2 325.413 -1.913 20 0 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/nfs/dbraw/zinc/64/58/31/374645831.db2.gz OWVRFQCFKKMKFY-CQSZACIVSA-N 2 2 342.440 -1.386 20 0 EAADLP C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638413757 374647009 /nfs/dbraw/zinc/64/70/09/374647009.db2.gz FHQLRSPFSNUPGT-GFCCVEGCSA-N 2 2 327.429 -1.715 20 0 EAADLP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CC[NH2+]CC1=O ZINC000638413758 374646332 /nfs/dbraw/zinc/64/63/32/374646332.db2.gz FHQLRSPFSNUPGT-LBPRGKRZSA-N 2 2 327.429 -1.715 20 0 EAADLP C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638445528 374645602 /nfs/dbraw/zinc/64/56/02/374645602.db2.gz HMFLHFYVLLTVQL-CHWSQXEVSA-N 2 2 328.413 -2.042 20 0 EAADLP C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638445539 374647340 /nfs/dbraw/zinc/64/73/40/374647340.db2.gz HMFLHFYVLLTVQL-OLZOCXBDSA-N 2 2 328.413 -2.042 20 0 EAADLP C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638445540 374649613 /nfs/dbraw/zinc/64/96/13/374649613.db2.gz HMFLHFYVLLTVQL-QWHCGFSZSA-N 2 2 328.413 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374654713 /nfs/dbraw/zinc/65/47/13/374654713.db2.gz KXVJIWXWRRLCIC-CQSZACIVSA-N 2 2 342.440 -1.481 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638619691 374655656 /nfs/dbraw/zinc/65/56/56/374655656.db2.gz WNZQJJLPFBTZIX-KBPBESRZSA-N 2 2 340.424 -1.728 20 0 EAADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638619692 374657168 /nfs/dbraw/zinc/65/71/68/374657168.db2.gz WNZQJJLPFBTZIX-KGLIPLIRSA-N 2 2 340.424 -1.728 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638619693 374657642 /nfs/dbraw/zinc/65/76/42/374657642.db2.gz WNZQJJLPFBTZIX-UONOGXRCSA-N 2 2 340.424 -1.728 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638619694 374657536 /nfs/dbraw/zinc/65/75/36/374657536.db2.gz WNZQJJLPFBTZIX-ZIAGYGMSSA-N 2 2 340.424 -1.728 20 0 EAADLP [NH3+]CCCOCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638661386 374656872 /nfs/dbraw/zinc/65/68/72/374656872.db2.gz ORTHTKMGRVEEIY-AWEZNQCLSA-N 2 2 342.440 -1.351 20 0 EAADLP [NH3+]CCCOCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638661387 374657089 /nfs/dbraw/zinc/65/70/89/374657089.db2.gz ORTHTKMGRVEEIY-CQSZACIVSA-N 2 2 342.440 -1.351 20 0 EAADLP CN(CCOCC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638675037 374660081 /nfs/dbraw/zinc/66/00/81/374660081.db2.gz ABNDDOZYBCDWSN-AWEZNQCLSA-N 2 2 342.440 -1.399 20 0 EAADLP CN(CCOCC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638675044 374659618 /nfs/dbraw/zinc/65/96/18/374659618.db2.gz ABNDDOZYBCDWSN-CQSZACIVSA-N 2 2 342.440 -1.399 20 0 EAADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)CN3CC[NH2+]CC3=O)CC2)C1=O ZINC000638856240 374673633 /nfs/dbraw/zinc/67/36/33/374673633.db2.gz LPHDZPJBRZHDET-CYBMUJFWSA-N 2 2 337.424 -1.771 20 0 EAADLP CN1CC[C@H]([NH+]2CCC(NC(=O)CN3CC[NH2+]CC3=O)CC2)C1=O ZINC000638856241 374673894 /nfs/dbraw/zinc/67/38/94/374673894.db2.gz LPHDZPJBRZHDET-ZDUSSCGKSA-N 2 2 337.424 -1.771 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002843 374683985 /nfs/dbraw/zinc/68/39/85/374683985.db2.gz BGCUUTCVDIYXAG-UHFFFAOYSA-N 2 2 332.408 -1.405 20 0 EAADLP C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)N1CC[NH2+]CC1=O ZINC000639005629 374683642 /nfs/dbraw/zinc/68/36/42/374683642.db2.gz YMKUGVHBIMPIAJ-AWEZNQCLSA-N 2 2 346.435 -1.016 20 0 EAADLP C[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)N1CC[NH2+]CC1=O ZINC000639005630 374683083 /nfs/dbraw/zinc/68/30/83/374683083.db2.gz YMKUGVHBIMPIAJ-CQSZACIVSA-N 2 2 346.435 -1.016 20 0 EAADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000639432292 374739663 /nfs/dbraw/zinc/73/96/63/374739663.db2.gz IVRPMBKNZDKDHY-UHFFFAOYSA-N 2 2 335.408 -1.034 20 0 EAADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CC1=O ZINC000639721007 374753505 /nfs/dbraw/zinc/75/35/05/374753505.db2.gz ZQIDHEOXGOFGPR-AWEZNQCLSA-N 2 2 329.441 -1.015 20 0 EAADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CC2(O)CCOCC2)CC1=O ZINC000639721008 374753840 /nfs/dbraw/zinc/75/38/40/374753840.db2.gz ZQIDHEOXGOFGPR-CQSZACIVSA-N 2 2 329.441 -1.015 20 0 EAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000640051177 374823278 /nfs/dbraw/zinc/82/32/78/374823278.db2.gz KMRZLKWWMHOGNT-CYBMUJFWSA-N 2 2 332.470 -1.026 20 0 EAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000640051178 374822981 /nfs/dbraw/zinc/82/29/81/374822981.db2.gz KMRZLKWWMHOGNT-ZDUSSCGKSA-N 2 2 332.470 -1.026 20 0 EAADLP CN1CCN(C(=O)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000640051743 374824169 /nfs/dbraw/zinc/82/41/69/374824169.db2.gz YKULGRYGCASOCU-UHFFFAOYSA-N 2 2 325.457 -1.144 20 0 EAADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051743 374824164 /nfs/dbraw/zinc/82/41/64/374824164.db2.gz YKULGRYGCASOCU-UHFFFAOYSA-N 2 2 325.457 -1.144 20 0 EAADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051743 374824157 /nfs/dbraw/zinc/82/41/57/374824157.db2.gz YKULGRYGCASOCU-UHFFFAOYSA-N 3 2 325.457 -1.144 20 0 EAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1(O)CCOCC1 ZINC000640059937 374824442 /nfs/dbraw/zinc/82/44/42/374824442.db2.gz DZJHZEPDVKLBMC-AWEZNQCLSA-N 2 2 329.441 -1.015 20 0 EAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1(O)CCOCC1 ZINC000640059937 374824438 /nfs/dbraw/zinc/82/44/38/374824438.db2.gz DZJHZEPDVKLBMC-AWEZNQCLSA-N 2 2 329.441 -1.015 20 0 EAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1(O)CCOCC1 ZINC000640059938 374824020 /nfs/dbraw/zinc/82/40/20/374824020.db2.gz DZJHZEPDVKLBMC-CQSZACIVSA-N 2 2 329.441 -1.015 20 0 EAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1(O)CCOCC1 ZINC000640059938 374824018 /nfs/dbraw/zinc/82/40/18/374824018.db2.gz DZJHZEPDVKLBMC-CQSZACIVSA-N 2 2 329.441 -1.015 20 0 EAADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000640104952 374825586 /nfs/dbraw/zinc/82/55/86/374825586.db2.gz PYCBEFBNZLYOTA-CYBMUJFWSA-N 2 2 327.429 -1.220 20 0 EAADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000640104952 374825580 /nfs/dbraw/zinc/82/55/80/374825580.db2.gz PYCBEFBNZLYOTA-CYBMUJFWSA-N 2 2 327.429 -1.220 20 0 EAADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000640104953 374825653 /nfs/dbraw/zinc/82/56/53/374825653.db2.gz PYCBEFBNZLYOTA-ZDUSSCGKSA-N 2 2 327.429 -1.220 20 0 EAADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000640104953 374825646 /nfs/dbraw/zinc/82/56/46/374825646.db2.gz PYCBEFBNZLYOTA-ZDUSSCGKSA-N 2 2 327.429 -1.220 20 0 EAADLP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641278030 374954609 /nfs/dbraw/zinc/95/46/09/374954609.db2.gz AJHUZGRWGNMTQY-UHFFFAOYSA-N 2 2 329.426 -1.081 20 0 EAADLP C[NH+]1CCN(C(=O)CCNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641283616 374954147 /nfs/dbraw/zinc/95/41/47/374954147.db2.gz VSBKQUTXOHXISC-UHFFFAOYSA-N 2 2 329.426 -1.033 20 0 EAADLP C[NH+](C)CCN1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1=O ZINC000641555811 374956613 /nfs/dbraw/zinc/95/66/13/374956613.db2.gz UEPWNADBVBPUSC-UHFFFAOYSA-N 2 2 329.426 -1.081 20 0 EAADLP CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C[NH3+])C1 ZINC000642797522 374298282 /nfs/dbraw/zinc/29/82/82/374298282.db2.gz CTLICMUSFVQJAR-KBPBESRZSA-N 2 2 346.435 -1.122 20 0 EAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C[NH3+])C1 ZINC000642797523 374298100 /nfs/dbraw/zinc/29/81/00/374298100.db2.gz CTLICMUSFVQJAR-KGLIPLIRSA-N 2 2 346.435 -1.122 20 0 EAADLP CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H](C[NH3+])C1 ZINC000642797524 374297914 /nfs/dbraw/zinc/29/79/14/374297914.db2.gz CTLICMUSFVQJAR-UONOGXRCSA-N 2 2 346.435 -1.122 20 0 EAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H](C[NH3+])C1 ZINC000642797525 374297420 /nfs/dbraw/zinc/29/74/20/374297420.db2.gz CTLICMUSFVQJAR-ZIAGYGMSSA-N 2 2 346.435 -1.122 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919230 374359812 /nfs/dbraw/zinc/35/98/12/374359812.db2.gz TWNFFZLVMJLEFY-UHFFFAOYSA-N 2 2 342.440 -1.340 20 0 EAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643476798 374829454 /nfs/dbraw/zinc/82/94/54/374829454.db2.gz XPBITDJINXQNLB-QLFBSQMISA-N 2 2 336.436 -1.013 20 0 EAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643476799 374830619 /nfs/dbraw/zinc/83/06/19/374830619.db2.gz XPBITDJINXQNLB-ZNMIVQPWSA-N 2 2 336.436 -1.013 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643481084 374832108 /nfs/dbraw/zinc/83/21/08/374832108.db2.gz NEJOOWNRHQKVNB-CHWSQXEVSA-N 2 2 328.413 -1.648 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643481085 374833799 /nfs/dbraw/zinc/83/37/99/374833799.db2.gz NEJOOWNRHQKVNB-OLZOCXBDSA-N 2 2 328.413 -1.648 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643481086 374831662 /nfs/dbraw/zinc/83/16/62/374831662.db2.gz NEJOOWNRHQKVNB-QWHCGFSZSA-N 2 2 328.413 -1.648 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643481087 374833731 /nfs/dbraw/zinc/83/37/31/374833731.db2.gz NEJOOWNRHQKVNB-STQMWFEESA-N 2 2 328.413 -1.648 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643483457 374836946 /nfs/dbraw/zinc/83/69/46/374836946.db2.gz FROGFHOQGXOONI-KBPBESRZSA-N 2 2 342.440 -1.258 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643483458 374838423 /nfs/dbraw/zinc/83/84/23/374838423.db2.gz FROGFHOQGXOONI-KGLIPLIRSA-N 2 2 342.440 -1.258 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643483459 374837927 /nfs/dbraw/zinc/83/79/27/374837927.db2.gz FROGFHOQGXOONI-UONOGXRCSA-N 2 2 342.440 -1.258 20 0 EAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643483460 374838622 /nfs/dbraw/zinc/83/86/22/374838622.db2.gz FROGFHOQGXOONI-ZIAGYGMSSA-N 2 2 342.440 -1.258 20 0 EAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643483915 374836918 /nfs/dbraw/zinc/83/69/18/374836918.db2.gz PYUFDTKYNKSMKW-HNNXBMFYSA-N 2 2 335.452 -1.201 20 0 EAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 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[NH3+]Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)o1 ZINC000647092157 414833669 /nfs/dbraw/zinc/83/36/69/414833669.db2.gz MJRKAJNLXHSWIZ-UHFFFAOYSA-N 2 2 328.394 -1.202 20 0 EAADLP [NH3+]Cc1nc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000647092210 414833744 /nfs/dbraw/zinc/83/37/44/414833744.db2.gz YRYJMKGZXLKRQL-UHFFFAOYSA-N 2 2 345.450 -1.339 20 0 EAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647709976 414900157 /nfs/dbraw/zinc/90/01/57/414900157.db2.gz FDWKYNZLLLANIX-KBPBESRZSA-N 2 2 342.440 -1.794 20 0 EAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647709977 414898908 /nfs/dbraw/zinc/89/89/08/414898908.db2.gz FDWKYNZLLLANIX-KGLIPLIRSA-N 2 2 342.440 -1.794 20 0 EAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647709978 414898695 /nfs/dbraw/zinc/89/86/95/414898695.db2.gz FDWKYNZLLLANIX-UONOGXRCSA-N 2 2 342.440 -1.794 20 0 EAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647709979 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0 EAADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650641327 414849726 /nfs/dbraw/zinc/84/97/26/414849726.db2.gz VPCOGJQJAQPCLD-CQSZACIVSA-N 2 2 339.440 -1.389 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651332901 414887848 /nfs/dbraw/zinc/88/78/48/414887848.db2.gz OFRZAIIZKKXWPW-UHFFFAOYSA-N 2 2 337.428 -1.139 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651332901 414887843 /nfs/dbraw/zinc/88/78/43/414887843.db2.gz OFRZAIIZKKXWPW-UHFFFAOYSA-N 2 2 337.428 -1.139 20 0 EAADLP CC(C)Nc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(NCCO)[nH+]1 ZINC000651449035 414888676 /nfs/dbraw/zinc/88/86/76/414888676.db2.gz ALSIWYBBFLGKEL-GFCCVEGCSA-N 2 2 337.428 -1.805 20 0 EAADLP CC(C)Nc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(NCCO)[nH+]1 ZINC000651449035 414888663 /nfs/dbraw/zinc/88/86/63/414888663.db2.gz ALSIWYBBFLGKEL-GFCCVEGCSA-N 2 2 337.428 -1.805 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000652202072 414900961 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-1.006 20 0 EAADLP CCO[C@@H]1C[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000652356789 414902035 /nfs/dbraw/zinc/90/20/35/414902035.db2.gz HNXAQQTUFGWNFF-DGCLKSJQSA-N 2 2 331.442 -1.006 20 0 EAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652386365 414902776 /nfs/dbraw/zinc/90/27/76/414902776.db2.gz YJYCJFOMHYKDRT-UHFFFAOYSA-N 2 2 339.440 -1.617 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000652398450 414905264 /nfs/dbraw/zinc/90/52/64/414905264.db2.gz CVGYZHJQONHAIV-UHFFFAOYSA-N 2 2 344.456 -1.186 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1=O ZINC000652505408 414905849 /nfs/dbraw/zinc/90/58/49/414905849.db2.gz NJIRRRKDUSOTIN-UHFFFAOYSA-N 2 2 348.407 -1.542 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000652505448 414906084 /nfs/dbraw/zinc/90/60/84/414906084.db2.gz SVUNUHHLHLOALB-UHFFFAOYSA-N 2 2 325.413 -2.007 20 0 EAADLP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652682564 414913858 /nfs/dbraw/zinc/91/38/58/414913858.db2.gz NKPUHBZINIWWNA-BFHYXJOUSA-N 2 2 342.440 -1.355 20 0 EAADLP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652682565 414913426 /nfs/dbraw/zinc/91/34/26/414913426.db2.gz NKPUHBZINIWWNA-MGPQQGTHSA-N 2 2 342.440 -1.355 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000652694069 414895296 /nfs/dbraw/zinc/89/52/96/414895296.db2.gz NPWKZJXSGXQDBI-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000652694070 414895891 /nfs/dbraw/zinc/89/58/91/414895891.db2.gz NPWKZJXSGXQDBI-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000652694595 414900945 /nfs/dbraw/zinc/90/09/45/414900945.db2.gz BNMQOQYISCAKMB-UHFFFAOYSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000652694842 414909759 /nfs/dbraw/zinc/90/97/59/414909759.db2.gz IDGOCLPQHPEPEB-ZDUSSCGKSA-N 2 2 328.413 -1.728 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000652695669 414894201 /nfs/dbraw/zinc/89/42/01/414894201.db2.gz YQTVXBYWYBFFAF-AWEZNQCLSA-N 2 2 342.440 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000652695670 414893537 /nfs/dbraw/zinc/89/35/37/414893537.db2.gz YQTVXBYWYBFFAF-CQSZACIVSA-N 2 2 342.440 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000652695800 414903222 /nfs/dbraw/zinc/90/32/22/414903222.db2.gz AWGOQMNBIUJCGF-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000652695801 414902235 /nfs/dbraw/zinc/90/22/35/414902235.db2.gz AWGOQMNBIUJCGF-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000652698552 414938465 /nfs/dbraw/zinc/93/84/65/414938465.db2.gz GAZFALKYDDYNJE-CYBMUJFWSA-N 2 2 330.429 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000652698553 414940012 /nfs/dbraw/zinc/94/00/12/414940012.db2.gz GAZFALKYDDYNJE-ZDUSSCGKSA-N 2 2 330.429 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000652698702 414939955 /nfs/dbraw/zinc/93/99/55/414939955.db2.gz ILMRLZVNABZYPH-AWEZNQCLSA-N 2 2 344.456 -1.107 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000652698703 414938769 /nfs/dbraw/zinc/93/87/69/414938769.db2.gz ILMRLZVNABZYPH-CQSZACIVSA-N 2 2 344.456 -1.107 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000652699336 414939733 /nfs/dbraw/zinc/93/97/33/414939733.db2.gz VUVHTZATWYVSSW-CYBMUJFWSA-N 2 2 330.429 -1.495 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000652699337 414938833 /nfs/dbraw/zinc/93/88/33/414938833.db2.gz VUVHTZATWYVSSW-ZDUSSCGKSA-N 2 2 330.429 -1.495 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000652699644 414937519 /nfs/dbraw/zinc/93/75/19/414937519.db2.gz ALKWCXPKZQDHIH-UHFFFAOYSA-N 2 2 330.429 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000652699681 414940193 /nfs/dbraw/zinc/94/01/93/414940193.db2.gz BSSVNDUFRVYXTF-AWEZNQCLSA-N 2 2 342.440 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000652699682 414937691 /nfs/dbraw/zinc/93/76/91/414937691.db2.gz BSSVNDUFRVYXTF-CQSZACIVSA-N 2 2 342.440 -1.353 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000652701703 414940773 /nfs/dbraw/zinc/94/07/73/414940773.db2.gz HPKNWDDLSVYITO-UHFFFAOYSA-N 2 2 342.440 -1.209 20 0 EAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@H]1C[NH3+] ZINC000652726162 414956161 /nfs/dbraw/zinc/95/61/61/414956161.db2.gz JEEKYQKYXQFNEU-ZIAGYGMSSA-N 2 2 342.440 -1.401 20 0 EAADLP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652729058 414961629 /nfs/dbraw/zinc/96/16/29/414961629.db2.gz OPTIFIPDRVLXCM-ZIAGYGMSSA-N 2 2 342.440 -1.401 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000652731408 414973144 /nfs/dbraw/zinc/97/31/44/414973144.db2.gz JMWSKMBYEBEKKP-CYBMUJFWSA-N 2 2 328.413 -1.647 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000652731409 414972660 /nfs/dbraw/zinc/97/26/60/414972660.db2.gz JMWSKMBYEBEKKP-ZDUSSCGKSA-N 2 2 328.413 -1.647 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000652731473 545676577 /nfs/dbraw/zinc/67/65/77/545676577.db2.gz LNRNJHRLXWQQCB-AWEZNQCLSA-N 2 2 342.440 -1.257 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000652731515 545677311 /nfs/dbraw/zinc/67/73/11/545677311.db2.gz MKLLCUNLEAEOIL-AWEZNQCLSA-N 2 2 342.440 -1.399 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000652731516 545676542 /nfs/dbraw/zinc/67/65/42/545676542.db2.gz MKLLCUNLEAEOIL-CQSZACIVSA-N 2 2 342.440 -1.399 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000652731526 545677232 /nfs/dbraw/zinc/67/72/32/545677232.db2.gz MPVJLRNLGSASQQ-AWEZNQCLSA-N 2 2 342.440 -1.386 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000652731527 545676907 /nfs/dbraw/zinc/67/69/07/545676907.db2.gz MPVJLRNLGSASQQ-CQSZACIVSA-N 2 2 342.440 -1.386 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000652731537 545677397 /nfs/dbraw/zinc/67/73/97/545677397.db2.gz MYJMMXBXAMNNMZ-UHFFFAOYSA-N 2 2 328.413 -1.775 20 0 EAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000652731588 545676667 /nfs/dbraw/zinc/67/66/67/545676667.db2.gz OMFDCAAAQFXWFO-AWEZNQCLSA-N 2 2 342.440 -1.386 20 0 EAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000652731589 545677327 /nfs/dbraw/zinc/67/73/27/545677327.db2.gz OMFDCAAAQFXWFO-CQSZACIVSA-N 2 2 342.440 -1.386 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000652731663 545676330 /nfs/dbraw/zinc/67/63/30/545676330.db2.gz QPBXTFKMKYERLD-CQSZACIVSA-N 2 2 342.440 -1.257 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000652731777 545679123 /nfs/dbraw/zinc/67/91/23/545679123.db2.gz UNZJNBIMWXFDIC-UHFFFAOYSA-N 2 2 342.440 -1.385 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000652731877 545678216 /nfs/dbraw/zinc/67/82/16/545678216.db2.gz XPFWMONSZZKYND-UHFFFAOYSA-N 2 2 342.440 -1.257 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000652731973 545678101 /nfs/dbraw/zinc/67/81/01/545678101.db2.gz AAJDYJBILSIGTK-AWEZNQCLSA-N 2 2 342.440 -1.386 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000652731974 545678331 /nfs/dbraw/zinc/67/83/31/545678331.db2.gz AAJDYJBILSIGTK-CQSZACIVSA-N 2 2 342.440 -1.386 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000652732765 414974804 /nfs/dbraw/zinc/97/48/04/414974804.db2.gz SBAFHFNQZXLJTK-ZIAGYGMSSA-N 2 2 342.440 -1.401 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000652732815 414977263 /nfs/dbraw/zinc/97/72/63/414977263.db2.gz TYINXHWUKVNRLD-CYBMUJFWSA-N 2 2 330.429 -1.401 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000652732816 414977879 /nfs/dbraw/zinc/97/78/79/414977879.db2.gz TYINXHWUKVNRLD-ZDUSSCGKSA-N 2 2 330.429 -1.401 20 0 EAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)C[C@H]1C[NH3+] ZINC000652736732 414985634 /nfs/dbraw/zinc/98/56/34/414985634.db2.gz NZLBSWNZVKOBAA-BFHYXJOUSA-N 2 2 342.440 -1.666 20 0 EAADLP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653022004 415151401 /nfs/dbraw/zinc/15/14/01/415151401.db2.gz XQLNNLPSGSXAEX-CYBMUJFWSA-N 2 2 347.485 -1.333 20 0 EAADLP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653022004 415151391 /nfs/dbraw/zinc/15/13/91/415151391.db2.gz XQLNNLPSGSXAEX-CYBMUJFWSA-N 2 2 347.485 -1.333 20 0 EAADLP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653022005 415151873 /nfs/dbraw/zinc/15/18/73/415151873.db2.gz XQLNNLPSGSXAEX-ZDUSSCGKSA-N 2 2 347.485 -1.333 20 0 EAADLP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653022005 415151872 /nfs/dbraw/zinc/15/18/72/415151872.db2.gz XQLNNLPSGSXAEX-ZDUSSCGKSA-N 2 2 347.485 -1.333 20 0 EAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000653073862 414826898 /nfs/dbraw/zinc/82/68/98/414826898.db2.gz PTPSWVVATWLRDI-CYBMUJFWSA-N 2 2 339.440 -1.441 20 0 EAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000653073863 414825659 /nfs/dbraw/zinc/82/56/59/414825659.db2.gz PTPSWVVATWLRDI-ZDUSSCGKSA-N 2 2 339.440 -1.441 20 0 EAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000653087357 414828965 /nfs/dbraw/zinc/82/89/65/414828965.db2.gz TWEITSAWUAXWAF-LLVKDONJSA-N 2 2 338.499 -1.240 20 0 EAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000653087358 414828607 /nfs/dbraw/zinc/82/86/07/414828607.db2.gz TWEITSAWUAXWAF-NSHDSACASA-N 2 2 338.499 -1.240 20 0 EAADLP Cn1c2ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2c(=O)n(C)c1=O ZINC000653107691 414833184 /nfs/dbraw/zinc/83/31/84/414833184.db2.gz UJABTVFOTPPFJC-LLVKDONJSA-N 2 2 334.380 -1.150 20 0 EAADLP Cn1c2ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2c(=O)n(C)c1=O ZINC000653107692 414834739 /nfs/dbraw/zinc/83/47/39/414834739.db2.gz UJABTVFOTPPFJC-NSHDSACASA-N 2 2 334.380 -1.150 20 0 EAADLP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)NCC[NH+]1CCOCC1 ZINC000653112559 414837340 /nfs/dbraw/zinc/83/73/40/414837340.db2.gz AZRHFHKRIZOLDY-WFASDCNBSA-N 2 2 326.397 -2.213 20 0 EAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164826 414845512 /nfs/dbraw/zinc/84/55/12/414845512.db2.gz LBCANQDBRYZJBR-GFCCVEGCSA-N 3 2 333.458 -2.289 20 0 EAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164827 414846608 /nfs/dbraw/zinc/84/66/08/414846608.db2.gz LBCANQDBRYZJBR-LBPRGKRZSA-N 3 2 333.458 -2.289 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000653275365 414855236 /nfs/dbraw/zinc/85/52/36/414855236.db2.gz CYWIAERHJRJCJX-UHFFFAOYSA-N 2 2 328.413 -1.775 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000653275756 414854009 /nfs/dbraw/zinc/85/40/09/414854009.db2.gz MQYJRIPTIBPOHN-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000653275757 414853821 /nfs/dbraw/zinc/85/38/21/414853821.db2.gz MQYJRIPTIBPOHN-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000653275766 414855311 /nfs/dbraw/zinc/85/53/11/414855311.db2.gz MXQSLHPCHYUPPB-HNNXBMFYSA-N 2 2 344.456 -1.107 20 0 EAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1=O ZINC000653356756 414969556 /nfs/dbraw/zinc/96/95/56/414969556.db2.gz YXULZQSHDRKFBN-UHFFFAOYSA-N 2 2 336.396 -1.768 20 0 EAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390880 414990415 /nfs/dbraw/zinc/99/04/15/414990415.db2.gz OKVHYNFIUIQVGM-UHFFFAOYSA-N 2 2 336.396 -1.731 20 0 EAADLP CCN1C(=O)[C@H]2C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCN2C1=O ZINC000653566907 415156310 /nfs/dbraw/zinc/15/63/10/415156310.db2.gz NTLNUMIRCZVXTN-CHWSQXEVSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566907 415156302 /nfs/dbraw/zinc/15/63/02/415156302.db2.gz NTLNUMIRCZVXTN-CHWSQXEVSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566907 415156298 /nfs/dbraw/zinc/15/62/98/415156298.db2.gz NTLNUMIRCZVXTN-CHWSQXEVSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@@H]2C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCN2C1=O ZINC000653566911 415156413 /nfs/dbraw/zinc/15/64/13/415156413.db2.gz NTLNUMIRCZVXTN-OLZOCXBDSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566911 415156406 /nfs/dbraw/zinc/15/64/06/415156406.db2.gz NTLNUMIRCZVXTN-OLZOCXBDSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566911 415156401 /nfs/dbraw/zinc/15/64/01/415156401.db2.gz NTLNUMIRCZVXTN-OLZOCXBDSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@H]2C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCN2C1=O ZINC000653566913 415158025 /nfs/dbraw/zinc/15/80/25/415158025.db2.gz NTLNUMIRCZVXTN-QWHCGFSZSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566913 415158021 /nfs/dbraw/zinc/15/80/21/415158021.db2.gz NTLNUMIRCZVXTN-QWHCGFSZSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566913 415158012 /nfs/dbraw/zinc/15/80/12/415158012.db2.gz NTLNUMIRCZVXTN-QWHCGFSZSA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCN2C1=O ZINC000653566915 415156363 /nfs/dbraw/zinc/15/63/63/415156363.db2.gz NTLNUMIRCZVXTN-STQMWFEESA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566915 415156357 /nfs/dbraw/zinc/15/63/57/415156357.db2.gz NTLNUMIRCZVXTN-STQMWFEESA-N 2 2 328.413 -1.106 20 0 EAADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCN2C1=O ZINC000653566915 415156353 /nfs/dbraw/zinc/15/63/53/415156353.db2.gz NTLNUMIRCZVXTN-STQMWFEESA-N 2 2 328.413 -1.106 20 0 EAADLP CC(C)(CNC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000653824679 415258041 /nfs/dbraw/zinc/25/80/41/415258041.db2.gz WMCNXHBLRPEICG-LSDHHAIUSA-N 2 2 340.468 -1.036 20 0 EAADLP CC(C)(CNC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000653824679 415258035 /nfs/dbraw/zinc/25/80/35/415258035.db2.gz WMCNXHBLRPEICG-LSDHHAIUSA-N 2 2 340.468 -1.036 20 0 EAADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648321 415025219 /nfs/dbraw/zinc/02/52/19/415025219.db2.gz LWGYVRNQDGCJLD-UONOGXRCSA-N 2 2 333.454 -1.211 20 0 EAADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648321 415025217 /nfs/dbraw/zinc/02/52/17/415025217.db2.gz LWGYVRNQDGCJLD-UONOGXRCSA-N 2 2 333.454 -1.211 20 0 EAADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023664 415292176 /nfs/dbraw/zinc/29/21/76/415292176.db2.gz HDGWARNEEFLBEP-FQUUOJAGSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023664 415292165 /nfs/dbraw/zinc/29/21/65/415292165.db2.gz HDGWARNEEFLBEP-FQUUOJAGSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023668 415293352 /nfs/dbraw/zinc/29/33/52/415293352.db2.gz HDGWARNEEFLBEP-IGQOVBAYSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023668 415293345 /nfs/dbraw/zinc/29/33/45/415293345.db2.gz HDGWARNEEFLBEP-IGQOVBAYSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023669 415292930 /nfs/dbraw/zinc/29/29/30/415292930.db2.gz HDGWARNEEFLBEP-MQYQWHSLSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023669 415292920 /nfs/dbraw/zinc/29/29/20/415292920.db2.gz HDGWARNEEFLBEP-MQYQWHSLSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023671 415292099 /nfs/dbraw/zinc/29/20/99/415292099.db2.gz HDGWARNEEFLBEP-YIYPIFLZSA-N 2 2 342.440 -1.295 20 0 EAADLP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023671 415292090 /nfs/dbraw/zinc/29/20/90/415292090.db2.gz HDGWARNEEFLBEP-YIYPIFLZSA-N 2 2 342.440 -1.295 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025837 415294799 /nfs/dbraw/zinc/29/47/99/415294799.db2.gz UOQPJRFYKSGSJG-MCIONIFRSA-N 2 2 344.456 -1.048 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025837 415294789 /nfs/dbraw/zinc/29/47/89/415294789.db2.gz UOQPJRFYKSGSJG-MCIONIFRSA-N 2 2 344.456 -1.048 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025838 415294978 /nfs/dbraw/zinc/29/49/78/415294978.db2.gz UOQPJRFYKSGSJG-MELADBBJSA-N 2 2 344.456 -1.048 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025838 415294976 /nfs/dbraw/zinc/29/49/76/415294976.db2.gz UOQPJRFYKSGSJG-MELADBBJSA-N 2 2 344.456 -1.048 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039817 415294948 /nfs/dbraw/zinc/29/49/48/415294948.db2.gz HXWXQFMTPDBNFN-FQUUOJAGSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039817 415294943 /nfs/dbraw/zinc/29/49/43/415294943.db2.gz HXWXQFMTPDBNFN-FQUUOJAGSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039818 415295224 /nfs/dbraw/zinc/29/52/24/415295224.db2.gz HXWXQFMTPDBNFN-IGQOVBAYSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039818 415295212 /nfs/dbraw/zinc/29/52/12/415295212.db2.gz HXWXQFMTPDBNFN-IGQOVBAYSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039819 415295372 /nfs/dbraw/zinc/29/53/72/415295372.db2.gz HXWXQFMTPDBNFN-MQYQWHSLSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039819 415295366 /nfs/dbraw/zinc/29/53/66/415295366.db2.gz HXWXQFMTPDBNFN-MQYQWHSLSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039820 415295029 /nfs/dbraw/zinc/29/50/29/415295029.db2.gz HXWXQFMTPDBNFN-YIYPIFLZSA-N 2 2 342.440 -1.214 20 0 EAADLP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039820 415295018 /nfs/dbraw/zinc/29/50/18/415295018.db2.gz HXWXQFMTPDBNFN-YIYPIFLZSA-N 2 2 342.440 -1.214 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656063022 668284117 /nfs/dbraw/zinc/28/41/17/668284117.db2.gz VSDCRFVIVMSDKI-UONOGXRCSA-N 2 2 340.424 -1.946 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656063022 668284111 /nfs/dbraw/zinc/28/41/11/668284111.db2.gz VSDCRFVIVMSDKI-UONOGXRCSA-N 2 2 340.424 -1.946 20 0 EAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068922 583226714 /nfs/dbraw/zinc/22/67/14/583226714.db2.gz KCHORAMHCIJXQD-UONOGXRCSA-N 2 2 340.424 -1.946 20 0 EAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068922 583226711 /nfs/dbraw/zinc/22/67/11/583226711.db2.gz KCHORAMHCIJXQD-UONOGXRCSA-N 2 2 340.424 -1.946 20 0 EAADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCC2)CC1 ZINC000656072528 583226819 /nfs/dbraw/zinc/22/68/19/583226819.db2.gz PVXGBTLQHJCXTO-LSDHHAIUSA-N 2 2 336.436 -1.040 20 0 EAADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCC2)CC1 ZINC000656072528 583226814 /nfs/dbraw/zinc/22/68/14/583226814.db2.gz PVXGBTLQHJCXTO-LSDHHAIUSA-N 2 2 336.436 -1.040 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)CC2 ZINC000656078446 545705625 /nfs/dbraw/zinc/70/56/25/545705625.db2.gz CUVOJAFIARZDSA-QWHCGFSZSA-N 2 2 333.392 -1.189 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CC2 ZINC000656078446 545705622 /nfs/dbraw/zinc/70/56/22/545705622.db2.gz CUVOJAFIARZDSA-QWHCGFSZSA-N 2 2 333.392 -1.189 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656087545 415297486 /nfs/dbraw/zinc/29/74/86/415297486.db2.gz FBRPCFGSTQFCLK-MELADBBJSA-N 2 2 340.424 -2.211 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656087545 415297480 /nfs/dbraw/zinc/29/74/80/415297480.db2.gz FBRPCFGSTQFCLK-MELADBBJSA-N 2 2 340.424 -2.211 20 0 EAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656282356 415302823 /nfs/dbraw/zinc/30/28/23/415302823.db2.gz LJMAEUBPCOZITA-UONOGXRCSA-N 2 2 340.424 -1.898 20 0 EAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656282356 415302816 /nfs/dbraw/zinc/30/28/16/415302816.db2.gz LJMAEUBPCOZITA-UONOGXRCSA-N 2 2 340.424 -1.898 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296324 415303203 /nfs/dbraw/zinc/30/32/03/415303203.db2.gz STNTYXTVXXQFER-HZSPNIEDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296324 415303196 /nfs/dbraw/zinc/30/31/96/415303196.db2.gz STNTYXTVXXQFER-HZSPNIEDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296425 415303383 /nfs/dbraw/zinc/30/33/83/415303383.db2.gz STNTYXTVXXQFER-MELADBBJSA-N 2 2 340.424 -1.899 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296425 415303378 /nfs/dbraw/zinc/30/33/78/415303378.db2.gz STNTYXTVXXQFER-MELADBBJSA-N 2 2 340.424 -1.899 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000656333608 415302873 /nfs/dbraw/zinc/30/28/73/415302873.db2.gz JLQQRBOEOQOCMF-FQUUOJAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000656333608 415302866 /nfs/dbraw/zinc/30/28/66/415302866.db2.gz JLQQRBOEOQOCMF-FQUUOJAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000656333608 415302858 /nfs/dbraw/zinc/30/28/58/415302858.db2.gz JLQQRBOEOQOCMF-FQUUOJAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000656333608 415302853 /nfs/dbraw/zinc/30/28/53/415302853.db2.gz JLQQRBOEOQOCMF-FQUUOJAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000656333609 415302703 /nfs/dbraw/zinc/30/27/03/415302703.db2.gz JLQQRBOEOQOCMF-IGQOVBAYSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000656333609 415302696 /nfs/dbraw/zinc/30/26/96/415302696.db2.gz JLQQRBOEOQOCMF-IGQOVBAYSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000656333609 415302690 /nfs/dbraw/zinc/30/26/90/415302690.db2.gz JLQQRBOEOQOCMF-IGQOVBAYSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000656333609 415302687 /nfs/dbraw/zinc/30/26/87/415302687.db2.gz JLQQRBOEOQOCMF-IGQOVBAYSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000656333610 415299562 /nfs/dbraw/zinc/29/95/62/415299562.db2.gz JLQQRBOEOQOCMF-RQJABVFESA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000656333610 415299555 /nfs/dbraw/zinc/29/95/55/415299555.db2.gz JLQQRBOEOQOCMF-RQJABVFESA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000656333610 415299549 /nfs/dbraw/zinc/29/95/49/415299549.db2.gz JLQQRBOEOQOCMF-RQJABVFESA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[NH+](C)CCO1 ZINC000656333610 415299544 /nfs/dbraw/zinc/29/95/44/415299544.db2.gz JLQQRBOEOQOCMF-RQJABVFESA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000656333611 415301929 /nfs/dbraw/zinc/30/19/29/415301929.db2.gz JLQQRBOEOQOCMF-XJFOESAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000656333611 415301919 /nfs/dbraw/zinc/30/19/19/415301919.db2.gz JLQQRBOEOQOCMF-XJFOESAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000656333611 415301914 /nfs/dbraw/zinc/30/19/14/415301914.db2.gz JLQQRBOEOQOCMF-XJFOESAGSA-N 2 2 340.424 -1.901 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1C[NH+](C)CCO1 ZINC000656333611 415301906 /nfs/dbraw/zinc/30/19/06/415301906.db2.gz JLQQRBOEOQOCMF-XJFOESAGSA-N 2 2 340.424 -1.901 20 0 EAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000656547624 415305188 /nfs/dbraw/zinc/30/51/88/415305188.db2.gz JAYBERNJGKRDMH-UHFFFAOYSA-N 2 2 329.445 -1.020 20 0 EAADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)NCC(=O)N(C)C ZINC000658338089 415318792 /nfs/dbraw/zinc/31/87/92/415318792.db2.gz XDYHOYCQBMGNTQ-LBPRGKRZSA-N 2 2 329.445 -1.421 20 0 EAADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)NCC(=O)N(C)C ZINC000658338089 415318783 /nfs/dbraw/zinc/31/87/83/415318783.db2.gz XDYHOYCQBMGNTQ-LBPRGKRZSA-N 2 2 329.445 -1.421 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658605750 415258792 /nfs/dbraw/zinc/25/87/92/415258792.db2.gz FMGJWHOHSZETLL-AWEZNQCLSA-N 2 2 342.440 -1.842 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658605751 415260367 /nfs/dbraw/zinc/26/03/67/415260367.db2.gz FMGJWHOHSZETLL-CQSZACIVSA-N 2 2 342.440 -1.842 20 0 EAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000658776208 415287453 /nfs/dbraw/zinc/28/74/53/415287453.db2.gz SWMLWMPPLTXRLP-UHFFFAOYSA-N 2 2 336.396 -1.400 20 0 EAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000658776208 415287447 /nfs/dbraw/zinc/28/74/47/415287447.db2.gz SWMLWMPPLTXRLP-UHFFFAOYSA-N 2 2 336.396 -1.400 20 0 EAADLP O=C(CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)N1CC[NH2+]CC1 ZINC000659074129 414855301 /nfs/dbraw/zinc/85/53/01/414855301.db2.gz HTCHGMQVFODIMC-UHFFFAOYSA-N 2 2 330.348 -1.179 20 0 EAADLP O=C(CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000659506649 414984102 /nfs/dbraw/zinc/98/41/02/414984102.db2.gz DSZISVUKLGFWJS-CYBMUJFWSA-N 2 2 325.413 -1.466 20 0 EAADLP O=C(CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000659506650 414985560 /nfs/dbraw/zinc/98/55/60/414985560.db2.gz DSZISVUKLGFWJS-ZDUSSCGKSA-N 2 2 325.413 -1.466 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659535005 415329423 /nfs/dbraw/zinc/32/94/23/415329423.db2.gz RFZUJQSIEBSTSF-HNNXBMFYSA-N 2 2 337.468 -1.001 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659535005 415329417 /nfs/dbraw/zinc/32/94/17/415329417.db2.gz RFZUJQSIEBSTSF-HNNXBMFYSA-N 2 2 337.468 -1.001 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659535012 415327523 /nfs/dbraw/zinc/32/75/23/415327523.db2.gz RFZUJQSIEBSTSF-OAHLLOKOSA-N 2 2 337.468 -1.001 20 0 EAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659535012 415327514 /nfs/dbraw/zinc/32/75/14/415327514.db2.gz RFZUJQSIEBSTSF-OAHLLOKOSA-N 2 2 337.468 -1.001 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000659682420 415332953 /nfs/dbraw/zinc/33/29/53/415332953.db2.gz ZLLQDCULKXKEAG-CYBMUJFWSA-N 2 2 342.440 -1.292 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000659682422 415332472 /nfs/dbraw/zinc/33/24/72/415332472.db2.gz ZLLQDCULKXKEAG-ZDUSSCGKSA-N 2 2 342.440 -1.292 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659683388 415331282 /nfs/dbraw/zinc/33/12/82/415331282.db2.gz XPRBSHHFWHAZIV-CHWSQXEVSA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659683388 415331280 /nfs/dbraw/zinc/33/12/80/415331280.db2.gz XPRBSHHFWHAZIV-CHWSQXEVSA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659683389 415331915 /nfs/dbraw/zinc/33/19/15/415331915.db2.gz XPRBSHHFWHAZIV-OLZOCXBDSA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659683389 415331911 /nfs/dbraw/zinc/33/19/11/415331911.db2.gz XPRBSHHFWHAZIV-OLZOCXBDSA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659683390 415331840 /nfs/dbraw/zinc/33/18/40/415331840.db2.gz XPRBSHHFWHAZIV-QWHCGFSZSA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659683390 415331834 /nfs/dbraw/zinc/33/18/34/415331834.db2.gz XPRBSHHFWHAZIV-QWHCGFSZSA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659683391 415332861 /nfs/dbraw/zinc/33/28/61/415332861.db2.gz XPRBSHHFWHAZIV-STQMWFEESA-N 3 2 325.457 -1.005 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659683391 415332855 /nfs/dbraw/zinc/33/28/55/415332855.db2.gz XPRBSHHFWHAZIV-STQMWFEESA-N 3 2 325.457 -1.005 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659709754 415335291 /nfs/dbraw/zinc/33/52/91/415335291.db2.gz IIVSEWQHUZDOTN-AWEZNQCLSA-N 2 2 339.440 -2.059 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659709758 415336039 /nfs/dbraw/zinc/33/60/39/415336039.db2.gz IIVSEWQHUZDOTN-CQSZACIVSA-N 2 2 339.440 -2.059 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659721998 415339665 /nfs/dbraw/zinc/33/96/65/415339665.db2.gz JFOXRBRJMFESCJ-CYBMUJFWSA-N 2 2 328.413 -1.728 20 0 EAADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659722000 415337340 /nfs/dbraw/zinc/33/73/40/415337340.db2.gz JFOXRBRJMFESCJ-ZDUSSCGKSA-N 2 2 328.413 -1.728 20 0 EAADLP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659724188 415338853 /nfs/dbraw/zinc/33/88/53/415338853.db2.gz NJSICZCHIAUSFI-KBPBESRZSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659724191 415337460 /nfs/dbraw/zinc/33/74/60/415337460.db2.gz NJSICZCHIAUSFI-KGLIPLIRSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659724193 415338903 /nfs/dbraw/zinc/33/89/03/415338903.db2.gz NJSICZCHIAUSFI-UONOGXRCSA-N 2 2 340.424 -1.586 20 0 EAADLP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659724195 415339336 /nfs/dbraw/zinc/33/93/36/415339336.db2.gz NJSICZCHIAUSFI-ZIAGYGMSSA-N 2 2 340.424 -1.586 20 0 EAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742633 415342697 /nfs/dbraw/zinc/34/26/97/415342697.db2.gz VAJFTWBLSUEYNT-UHFFFAOYSA-N 2 2 346.435 -1.068 20 0 EAADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000659747394 415343919 /nfs/dbraw/zinc/34/39/19/415343919.db2.gz DHYKJKRLYMZIDW-UHFFFAOYSA-N 2 2 334.380 -1.436 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000659753986 415159106 /nfs/dbraw/zinc/15/91/06/415159106.db2.gz CDVYJUDCEXUTKG-GFCCVEGCSA-N 2 2 330.429 -1.484 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000659753997 415159595 /nfs/dbraw/zinc/15/95/95/415159595.db2.gz CDVYJUDCEXUTKG-LBPRGKRZSA-N 2 2 330.429 -1.484 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000659756903 415160195 /nfs/dbraw/zinc/16/01/95/415160195.db2.gz SYORDHXNAFIEGP-CYBMUJFWSA-N 2 2 330.429 -1.482 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000659756908 415162051 /nfs/dbraw/zinc/16/20/51/415162051.db2.gz SYORDHXNAFIEGP-ZDUSSCGKSA-N 2 2 330.429 -1.482 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)CC1 ZINC000659839541 415342344 /nfs/dbraw/zinc/34/23/44/415342344.db2.gz WWHOTMINCKFLIF-CYBMUJFWSA-N 2 2 345.469 -1.768 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000659839545 415342042 /nfs/dbraw/zinc/34/20/42/415342042.db2.gz WWHOTMINCKFLIF-ZDUSSCGKSA-N 2 2 345.469 -1.768 20 0 EAADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000661883949 415349456 /nfs/dbraw/zinc/34/94/56/415349456.db2.gz RSVAFWDOBUUTSS-MJBXVCDLSA-N 2 2 345.465 -1.106 20 0 EAADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000661883949 415349453 /nfs/dbraw/zinc/34/94/53/415349453.db2.gz RSVAFWDOBUUTSS-MJBXVCDLSA-N 2 2 345.465 -1.106 20 0 EAADLP CC(C)(CNC(=O)C[N@H+]1CCC(CO)(CO)C1)[NH+]1CCOCC1 ZINC000661942157 415347954 /nfs/dbraw/zinc/34/79/54/415347954.db2.gz OOFHNSURJSAZHF-UHFFFAOYSA-N 2 2 329.441 -1.110 20 0 EAADLP CC(C)(CNC(=O)C[N@@H+]1CCC(CO)(CO)C1)[NH+]1CCOCC1 ZINC000661942157 415347945 /nfs/dbraw/zinc/34/79/45/415347945.db2.gz OOFHNSURJSAZHF-UHFFFAOYSA-N 2 2 329.441 -1.110 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000662253851 415348205 /nfs/dbraw/zinc/34/82/05/415348205.db2.gz WRXKSWDCCYZFPS-AWEZNQCLSA-N 2 2 347.485 -1.915 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000662253852 415348120 /nfs/dbraw/zinc/34/81/20/415348120.db2.gz WRXKSWDCCYZFPS-CQSZACIVSA-N 2 2 347.485 -1.915 20 0 EAADLP O=C(CN1CCOCC1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261455 415347579 /nfs/dbraw/zinc/34/75/79/415347579.db2.gz XOEHIROBFDLMNT-HNNXBMFYSA-N 2 2 338.452 -1.016 20 0 EAADLP O=C(CN1CCOCC1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261460 415348601 /nfs/dbraw/zinc/34/86/01/415348601.db2.gz XOEHIROBFDLMNT-OAHLLOKOSA-N 2 2 338.452 -1.016 20 0 EAADLP CC(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000662383745 415351282 /nfs/dbraw/zinc/35/12/82/415351282.db2.gz NFLNMQXEJMQWAK-UHFFFAOYSA-N 2 2 347.485 -1.379 20 0 EAADLP CC[C@@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000662384078 415352682 /nfs/dbraw/zinc/35/26/82/415352682.db2.gz SNTLRDHPCBUBKK-CYBMUJFWSA-N 2 2 347.485 -1.379 20 0 EAADLP CC[C@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000662384079 415353424 /nfs/dbraw/zinc/35/34/24/415353424.db2.gz SNTLRDHPCBUBKK-ZDUSSCGKSA-N 2 2 347.485 -1.379 20 0 EAADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662465869 415352943 /nfs/dbraw/zinc/35/29/43/415352943.db2.gz SWLJYXOQCDLKTQ-KBPBESRZSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662465870 415353371 /nfs/dbraw/zinc/35/33/71/415353371.db2.gz SWLJYXOQCDLKTQ-KGLIPLIRSA-N 2 2 342.440 -1.212 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000662499956 415352825 /nfs/dbraw/zinc/35/28/25/415352825.db2.gz BZVDGSUYNXGHIN-JOCQHMNTSA-N 2 2 345.469 -1.640 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CC3([NH3+])CC3)CC2)CC1 ZINC000662500538 415353028 /nfs/dbraw/zinc/35/30/28/415353028.db2.gz NGWUBUYGOOVHCO-UHFFFAOYSA-N 2 2 345.469 -1.496 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)CC1 ZINC000662500957 414831505 /nfs/dbraw/zinc/83/15/05/414831505.db2.gz UQEFIBVDUPPYSY-UHFFFAOYSA-N 2 2 347.441 -3.043 20 0 EAADLP O=C(CCNC(=O)C1(O)C[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662703792 415352455 /nfs/dbraw/zinc/35/24/55/415352455.db2.gz NKEFASDLSGEOQT-UHFFFAOYSA-N 2 2 333.392 -1.429 20 0 EAADLP O=C(CNC(=O)C1(O)C[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662708882 415352300 /nfs/dbraw/zinc/35/23/00/415352300.db2.gz QHLPGFOHXMTLEO-UHFFFAOYSA-N 2 2 332.404 -1.219 20 0 EAADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662735099 415356617 /nfs/dbraw/zinc/35/66/17/415356617.db2.gz AQOQGMWWAZDWNJ-IHRRRGAJSA-N 2 2 340.424 -1.601 20 0 EAADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662735101 415357170 /nfs/dbraw/zinc/35/71/70/415357170.db2.gz AQOQGMWWAZDWNJ-MCIONIFRSA-N 2 2 340.424 -1.601 20 0 EAADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662735103 415357006 /nfs/dbraw/zinc/35/70/06/415357006.db2.gz AQOQGMWWAZDWNJ-MJBXVCDLSA-N 2 2 340.424 -1.601 20 0 EAADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662735105 415356782 /nfs/dbraw/zinc/35/67/82/415356782.db2.gz AQOQGMWWAZDWNJ-RDBSUJKOSA-N 2 2 340.424 -1.601 20 0 EAADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740773 415353997 /nfs/dbraw/zinc/35/39/97/415353997.db2.gz BTVFBMKJRPMTKR-HNNXBMFYSA-N 2 2 333.436 -1.006 20 0 EAADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740773 415353989 /nfs/dbraw/zinc/35/39/89/415353989.db2.gz BTVFBMKJRPMTKR-HNNXBMFYSA-N 2 2 333.436 -1.006 20 0 EAADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740773 415353982 /nfs/dbraw/zinc/35/39/82/415353982.db2.gz BTVFBMKJRPMTKR-HNNXBMFYSA-N 2 2 333.436 -1.006 20 0 EAADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740773 415353974 /nfs/dbraw/zinc/35/39/74/415353974.db2.gz BTVFBMKJRPMTKR-HNNXBMFYSA-N 2 2 333.436 -1.006 20 0 EAADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740776 415356584 /nfs/dbraw/zinc/35/65/84/415356584.db2.gz BTVFBMKJRPMTKR-OAHLLOKOSA-N 2 2 333.436 -1.006 20 0 EAADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740776 415356575 /nfs/dbraw/zinc/35/65/75/415356575.db2.gz BTVFBMKJRPMTKR-OAHLLOKOSA-N 2 2 333.436 -1.006 20 0 EAADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740776 415356568 /nfs/dbraw/zinc/35/65/68/415356568.db2.gz BTVFBMKJRPMTKR-OAHLLOKOSA-N 2 2 333.436 -1.006 20 0 EAADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000662740776 415356560 /nfs/dbraw/zinc/35/65/60/415356560.db2.gz BTVFBMKJRPMTKR-OAHLLOKOSA-N 2 2 333.436 -1.006 20 0 EAADLP O=C(N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1(O)C[NH2+]C1 ZINC000662791664 415355143 /nfs/dbraw/zinc/35/51/43/415355143.db2.gz KYFDIDVQGLEISC-UHFFFAOYSA-N 2 2 348.407 -1.704 20 0 EAADLP O=C(N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1(O)C[NH2+]C1 ZINC000662791664 415355135 /nfs/dbraw/zinc/35/51/35/415355135.db2.gz KYFDIDVQGLEISC-UHFFFAOYSA-N 2 2 348.407 -1.704 20 0 EAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662929077 415358583 /nfs/dbraw/zinc/35/85/83/415358583.db2.gz XQOPVKUDULLREO-VXGBXAGGSA-N 2 2 330.404 -1.201 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662945952 414838827 /nfs/dbraw/zinc/83/88/27/414838827.db2.gz KRSPMWONEOAYEC-UHFFFAOYSA-N 2 2 330.429 -1.401 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662946044 415358660 /nfs/dbraw/zinc/35/86/60/415358660.db2.gz MNDMSCOARIGWCQ-UHFFFAOYSA-N 2 2 344.456 -1.012 20 0 EAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662948206 415358915 /nfs/dbraw/zinc/35/89/15/415358915.db2.gz HTRZJTJDBYIGBF-CYBMUJFWSA-N 2 2 348.407 -1.209 20 0 EAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662948207 415358291 /nfs/dbraw/zinc/35/82/91/415358291.db2.gz HTRZJTJDBYIGBF-ZDUSSCGKSA-N 2 2 348.407 -1.209 20 0 EAADLP CN1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000662948590 415357938 /nfs/dbraw/zinc/35/79/38/415357938.db2.gz YCZIBKLIBIWDQT-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP CN1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000662948591 415359420 /nfs/dbraw/zinc/35/94/20/415359420.db2.gz YCZIBKLIBIWDQT-KGLIPLIRSA-N 2 2 339.440 -1.979 20 0 EAADLP CN1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000662948592 415358137 /nfs/dbraw/zinc/35/81/37/415358137.db2.gz YCZIBKLIBIWDQT-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP CN1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000662948593 415359551 /nfs/dbraw/zinc/35/95/51/415359551.db2.gz YCZIBKLIBIWDQT-ZIAGYGMSSA-N 2 2 339.440 -1.979 20 0 EAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000662952250 415359071 /nfs/dbraw/zinc/35/90/71/415359071.db2.gz GXEIYTUBFVMSRE-CHWSQXEVSA-N 2 2 326.397 -1.894 20 0 EAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000662952253 415359195 /nfs/dbraw/zinc/35/91/95/415359195.db2.gz GXEIYTUBFVMSRE-OLZOCXBDSA-N 2 2 326.397 -1.894 20 0 EAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000662952256 415360215 /nfs/dbraw/zinc/36/02/15/415360215.db2.gz GXEIYTUBFVMSRE-QWHCGFSZSA-N 2 2 326.397 -1.894 20 0 EAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000662952258 415359983 /nfs/dbraw/zinc/35/99/83/415359983.db2.gz GXEIYTUBFVMSRE-STQMWFEESA-N 2 2 326.397 -1.894 20 0 EAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000662953674 415358776 /nfs/dbraw/zinc/35/87/76/415358776.db2.gz KROPIQXXPTUWNB-BFHYXJOUSA-N 2 2 340.424 -1.506 20 0 EAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000662953679 415359207 /nfs/dbraw/zinc/35/92/07/415359207.db2.gz KROPIQXXPTUWNB-IHRRRGAJSA-N 2 2 340.424 -1.506 20 0 EAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000662953685 415358560 /nfs/dbraw/zinc/35/85/60/415358560.db2.gz KROPIQXXPTUWNB-MELADBBJSA-N 2 2 340.424 -1.506 20 0 EAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000662953686 415359685 /nfs/dbraw/zinc/35/96/85/415359685.db2.gz KROPIQXXPTUWNB-MJBXVCDLSA-N 2 2 340.424 -1.506 20 0 EAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000662959923 415362769 /nfs/dbraw/zinc/36/27/69/415362769.db2.gz MZTMTPSWTZDFJF-KBPBESRZSA-N 2 2 340.424 -1.504 20 0 EAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000662959925 415361658 /nfs/dbraw/zinc/36/16/58/415361658.db2.gz MZTMTPSWTZDFJF-KGLIPLIRSA-N 2 2 340.424 -1.504 20 0 EAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000662959926 415360956 /nfs/dbraw/zinc/36/09/56/415360956.db2.gz MZTMTPSWTZDFJF-UONOGXRCSA-N 2 2 340.424 -1.504 20 0 EAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000662959929 415362751 /nfs/dbraw/zinc/36/27/51/415362751.db2.gz MZTMTPSWTZDFJF-ZIAGYGMSSA-N 2 2 340.424 -1.504 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662966404 415361866 /nfs/dbraw/zinc/36/18/66/415361866.db2.gz RKPHWLXLJSFUOS-UHFFFAOYSA-N 2 2 330.429 -1.399 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662967286 414838706 /nfs/dbraw/zinc/83/87/06/414838706.db2.gz ZAZLVXLXUFMMNV-UHFFFAOYSA-N 2 2 344.456 -1.011 20 0 EAADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]1F ZINC000662973860 415361850 /nfs/dbraw/zinc/36/18/50/415361850.db2.gz XBGCCSDFUXWORF-JHJVBQTASA-N 2 2 328.388 -1.183 20 0 EAADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[C@H]1F ZINC000662973861 415362063 /nfs/dbraw/zinc/36/20/63/415362063.db2.gz XBGCCSDFUXWORF-YNEHKIRRSA-N 2 2 328.388 -1.183 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662974790 415361669 /nfs/dbraw/zinc/36/16/69/415361669.db2.gz ACWLBRNLIGHDAN-MFOWVQHXSA-N 2 2 340.424 -1.912 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662974791 415362921 /nfs/dbraw/zinc/36/29/21/415362921.db2.gz ACWLBRNLIGHDAN-UYJPIKCFSA-N 2 2 340.424 -1.912 20 0 EAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1CCO ZINC000662990178 415362351 /nfs/dbraw/zinc/36/23/51/415362351.db2.gz PASMZVHOMCZPKS-VXGBXAGGSA-N 2 2 330.404 -1.201 20 0 EAADLP 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COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672004448 545655482 /nfs/dbraw/zinc/65/54/82/545655482.db2.gz PTOBMRVPGJMXSC-QWHCGFSZSA-N 2 2 330.429 -1.484 20 0 EAADLP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672004448 545655477 /nfs/dbraw/zinc/65/54/77/545655477.db2.gz PTOBMRVPGJMXSC-QWHCGFSZSA-N 2 2 330.429 -1.484 20 0 EAADLP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000672004448 545655474 /nfs/dbraw/zinc/65/54/74/545655474.db2.gz PTOBMRVPGJMXSC-QWHCGFSZSA-N 2 2 330.429 -1.484 20 0 EAADLP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000672004448 545655468 /nfs/dbraw/zinc/65/54/68/545655468.db2.gz PTOBMRVPGJMXSC-QWHCGFSZSA-N 2 2 330.429 -1.484 20 0 EAADLP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672004449 545655508 /nfs/dbraw/zinc/65/55/08/545655508.db2.gz PTOBMRVPGJMXSC-STQMWFEESA-N 2 2 330.429 -1.484 20 0 EAADLP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672004449 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ZINC000672597397 545654329 /nfs/dbraw/zinc/65/43/29/545654329.db2.gz MMEYNHYKSKELRQ-ZDUSSCGKSA-N 2 2 334.424 -1.104 20 0 EAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC000672597397 545654323 /nfs/dbraw/zinc/65/43/23/545654323.db2.gz MMEYNHYKSKELRQ-ZDUSSCGKSA-N 2 2 334.424 -1.104 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCNC(=O)C3)C2)CC1 ZINC000672637191 545734099 /nfs/dbraw/zinc/73/40/99/545734099.db2.gz AXTMKNAVSCKCLQ-GFCCVEGCSA-N 2 2 337.424 -1.771 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCNC(=O)C3)C2)CC1 ZINC000672637191 545734090 /nfs/dbraw/zinc/73/40/90/545734090.db2.gz AXTMKNAVSCKCLQ-GFCCVEGCSA-N 2 2 337.424 -1.771 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCNC(=O)C3)C2)CC1 ZINC000672637192 545734351 /nfs/dbraw/zinc/73/43/51/545734351.db2.gz AXTMKNAVSCKCLQ-LBPRGKRZSA-N 2 2 337.424 -1.771 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCNC(=O)C3)C2)CC1 ZINC000672637192 545734348 /nfs/dbraw/zinc/73/43/48/545734348.db2.gz AXTMKNAVSCKCLQ-LBPRGKRZSA-N 2 2 337.424 -1.771 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673673069 545739022 /nfs/dbraw/zinc/73/90/22/545739022.db2.gz PWMPFWYKNSMUBI-CABCVRRESA-N 2 2 326.441 -1.160 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673673069 545739017 /nfs/dbraw/zinc/73/90/17/545739017.db2.gz PWMPFWYKNSMUBI-CABCVRRESA-N 2 2 326.441 -1.160 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673673069 545739012 /nfs/dbraw/zinc/73/90/12/545739012.db2.gz PWMPFWYKNSMUBI-CABCVRRESA-N 2 2 326.441 -1.160 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673673069 545739005 /nfs/dbraw/zinc/73/90/05/545739005.db2.gz PWMPFWYKNSMUBI-CABCVRRESA-N 2 2 326.441 -1.160 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673673074 545738811 /nfs/dbraw/zinc/73/88/11/545738811.db2.gz PWMPFWYKNSMUBI-GJZGRUSLSA-N 2 2 326.441 -1.160 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673673074 545738806 /nfs/dbraw/zinc/73/88/06/545738806.db2.gz PWMPFWYKNSMUBI-GJZGRUSLSA-N 2 2 326.441 -1.160 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673673074 545738800 /nfs/dbraw/zinc/73/88/00/545738800.db2.gz PWMPFWYKNSMUBI-GJZGRUSLSA-N 2 2 326.441 -1.160 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673673074 545738790 /nfs/dbraw/zinc/73/87/90/545738790.db2.gz PWMPFWYKNSMUBI-GJZGRUSLSA-N 2 2 326.441 -1.160 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673673075 545740121 /nfs/dbraw/zinc/74/01/21/545740121.db2.gz PWMPFWYKNSMUBI-HUUCEWRRSA-N 2 2 326.441 -1.160 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673673075 545740116 /nfs/dbraw/zinc/74/01/16/545740116.db2.gz PWMPFWYKNSMUBI-HUUCEWRRSA-N 2 2 326.441 -1.160 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673673075 545740112 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-1.160 20 0 EAADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000674245062 545701821 /nfs/dbraw/zinc/70/18/21/545701821.db2.gz AFYGEEQZNIUTID-ZDUSSCGKSA-N 2 2 347.485 -1.427 20 0 EAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464753 545741882 /nfs/dbraw/zinc/74/18/82/545741882.db2.gz KDFIFXLNFDVDMG-QLFBSQMISA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464753 545741879 /nfs/dbraw/zinc/74/18/79/545741879.db2.gz KDFIFXLNFDVDMG-QLFBSQMISA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464753 545741870 /nfs/dbraw/zinc/74/18/70/545741870.db2.gz KDFIFXLNFDVDMG-QLFBSQMISA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464753 545741866 /nfs/dbraw/zinc/74/18/66/545741866.db2.gz KDFIFXLNFDVDMG-QLFBSQMISA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464754 545741826 /nfs/dbraw/zinc/74/18/26/545741826.db2.gz KDFIFXLNFDVDMG-ZNMIVQPWSA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464754 545741820 /nfs/dbraw/zinc/74/18/20/545741820.db2.gz KDFIFXLNFDVDMG-ZNMIVQPWSA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464754 545741815 /nfs/dbraw/zinc/74/18/15/545741815.db2.gz KDFIFXLNFDVDMG-ZNMIVQPWSA-N 2 2 329.441 -1.113 20 0 EAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674464754 545741809 /nfs/dbraw/zinc/74/18/09/545741809.db2.gz KDFIFXLNFDVDMG-ZNMIVQPWSA-N 2 2 329.441 -1.113 20 0 EAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000675518946 545744446 /nfs/dbraw/zinc/74/44/46/545744446.db2.gz KCKFAMVJDMBNHS-UHFFFAOYSA-N 2 2 325.457 -1.144 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241138 545747629 /nfs/dbraw/zinc/74/76/29/545747629.db2.gz KZGVQGSDRUQBMT-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241138 545747623 /nfs/dbraw/zinc/74/76/23/545747623.db2.gz KZGVQGSDRUQBMT-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000676241138 545747618 /nfs/dbraw/zinc/74/76/18/545747618.db2.gz KZGVQGSDRUQBMT-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000676241138 545747614 /nfs/dbraw/zinc/74/76/14/545747614.db2.gz KZGVQGSDRUQBMT-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241139 545746960 /nfs/dbraw/zinc/74/69/60/545746960.db2.gz KZGVQGSDRUQBMT-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](C)CCO1 ZINC000676241139 545746955 /nfs/dbraw/zinc/74/69/55/545746955.db2.gz KZGVQGSDRUQBMT-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000676241139 545746950 /nfs/dbraw/zinc/74/69/50/545746950.db2.gz KZGVQGSDRUQBMT-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000676241139 545746945 /nfs/dbraw/zinc/74/69/45/545746945.db2.gz KZGVQGSDRUQBMT-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241140 545746547 /nfs/dbraw/zinc/74/65/47/545746547.db2.gz KZGVQGSDRUQBMT-LVEBTZEWSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241140 545746543 /nfs/dbraw/zinc/74/65/43/545746543.db2.gz KZGVQGSDRUQBMT-LVEBTZEWSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000676241140 545746539 /nfs/dbraw/zinc/74/65/39/545746539.db2.gz KZGVQGSDRUQBMT-LVEBTZEWSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000676241140 545746532 /nfs/dbraw/zinc/74/65/32/545746532.db2.gz KZGVQGSDRUQBMT-LVEBTZEWSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241141 545747100 /nfs/dbraw/zinc/74/71/00/545747100.db2.gz KZGVQGSDRUQBMT-XJFOESAGSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](C)CCO1 ZINC000676241141 545747096 /nfs/dbraw/zinc/74/70/96/545747096.db2.gz KZGVQGSDRUQBMT-XJFOESAGSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000676241141 545747091 /nfs/dbraw/zinc/74/70/91/545747091.db2.gz KZGVQGSDRUQBMT-XJFOESAGSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000676241141 545747084 /nfs/dbraw/zinc/74/70/84/545747084.db2.gz KZGVQGSDRUQBMT-XJFOESAGSA-N 2 2 342.440 -1.343 20 0 EAADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000678791351 545759199 /nfs/dbraw/zinc/75/91/99/545759199.db2.gz VIEOKWUIGRCRPH-UHFFFAOYSA-N 2 2 338.412 -1.480 20 0 EAADLP OCC[NH+]1CCN(c2nccnc2N2CC[NH+](CCO)CC2)CC1 ZINC000679390202 545760998 /nfs/dbraw/zinc/76/09/98/545760998.db2.gz RXSPZOIYKMVJOZ-UHFFFAOYSA-N 2 2 336.440 -1.295 20 0 EAADLP C[C@@H](C(=O)N(CCO)CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000680449872 545764321 /nfs/dbraw/zinc/76/43/21/545764321.db2.gz ZPTMTUCBBYLHLR-HNNXBMFYSA-N 2 2 328.457 -1.225 20 0 EAADLP C[C@H](C(=O)N(CCO)CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000680449873 545763453 /nfs/dbraw/zinc/76/34/53/545763453.db2.gz ZPTMTUCBBYLHLR-OAHLLOKOSA-N 2 2 328.457 -1.225 20 0 EAADLP CS(=O)(=O)N1CC[NH+](CCNc2cc[nH+]cc2C(N)=O)CC1 ZINC000680830430 545766783 /nfs/dbraw/zinc/76/67/83/545766783.db2.gz SCFBPJHSLDLKBE-UHFFFAOYSA-N 2 2 327.410 -1.409 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000681124845 545766661 /nfs/dbraw/zinc/76/66/61/545766661.db2.gz QZOISRZKCIAVMK-AVGNSLFASA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000681124845 545766658 /nfs/dbraw/zinc/76/66/58/545766658.db2.gz QZOISRZKCIAVMK-AVGNSLFASA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000681124845 545766654 /nfs/dbraw/zinc/76/66/54/545766654.db2.gz QZOISRZKCIAVMK-AVGNSLFASA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000681124845 545766650 /nfs/dbraw/zinc/76/66/50/545766650.db2.gz QZOISRZKCIAVMK-AVGNSLFASA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000681124846 545765647 /nfs/dbraw/zinc/76/56/47/545765647.db2.gz QZOISRZKCIAVMK-RWMBFGLXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000681124846 545765643 /nfs/dbraw/zinc/76/56/43/545765643.db2.gz QZOISRZKCIAVMK-RWMBFGLXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000681124846 545765640 /nfs/dbraw/zinc/76/56/40/545765640.db2.gz QZOISRZKCIAVMK-RWMBFGLXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000681124846 545765633 /nfs/dbraw/zinc/76/56/33/545765633.db2.gz QZOISRZKCIAVMK-RWMBFGLXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000681125062 545766074 /nfs/dbraw/zinc/76/60/74/545766074.db2.gz QZOISRZKCIAVMK-XQQFMLRXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000681125062 545766067 /nfs/dbraw/zinc/76/60/67/545766067.db2.gz QZOISRZKCIAVMK-XQQFMLRXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000681125062 545766063 /nfs/dbraw/zinc/76/60/63/545766063.db2.gz QZOISRZKCIAVMK-XQQFMLRXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000681125062 545766058 /nfs/dbraw/zinc/76/60/58/545766058.db2.gz QZOISRZKCIAVMK-XQQFMLRXSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000681125067 545766038 /nfs/dbraw/zinc/76/60/38/545766038.db2.gz QZOISRZKCIAVMK-YNEHKIRRSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000681125067 545766031 /nfs/dbraw/zinc/76/60/31/545766031.db2.gz QZOISRZKCIAVMK-YNEHKIRRSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000681125067 545766027 /nfs/dbraw/zinc/76/60/27/545766027.db2.gz QZOISRZKCIAVMK-YNEHKIRRSA-N 2 2 344.412 -2.759 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000681125067 545766018 /nfs/dbraw/zinc/76/60/18/545766018.db2.gz QZOISRZKCIAVMK-YNEHKIRRSA-N 2 2 344.412 -2.759 20 0 EAADLP CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682269536 545771055 /nfs/dbraw/zinc/77/10/55/545771055.db2.gz MMOSIJVTHNHZAF-GFCCVEGCSA-N 2 2 339.440 -1.525 20 0 EAADLP CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682269536 545771050 /nfs/dbraw/zinc/77/10/50/545771050.db2.gz MMOSIJVTHNHZAF-GFCCVEGCSA-N 2 2 339.440 -1.525 20 0 EAADLP CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682269542 545771859 /nfs/dbraw/zinc/77/18/59/545771859.db2.gz MMOSIJVTHNHZAF-LBPRGKRZSA-N 2 2 339.440 -1.525 20 0 EAADLP CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682269542 545771855 /nfs/dbraw/zinc/77/18/55/545771855.db2.gz MMOSIJVTHNHZAF-LBPRGKRZSA-N 2 2 339.440 -1.525 20 0 EAADLP C[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000683361776 545774672 /nfs/dbraw/zinc/77/46/72/545774672.db2.gz LCOCIMQPOFMSJE-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000683361776 545774665 /nfs/dbraw/zinc/77/46/65/545774665.db2.gz LCOCIMQPOFMSJE-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000683361776 545774660 /nfs/dbraw/zinc/77/46/60/545774660.db2.gz LCOCIMQPOFMSJE-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000683361776 545774654 /nfs/dbraw/zinc/77/46/54/545774654.db2.gz LCOCIMQPOFMSJE-CRWXNKLISA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000683361777 545775511 /nfs/dbraw/zinc/77/55/11/545775511.db2.gz LCOCIMQPOFMSJE-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000683361777 545775507 /nfs/dbraw/zinc/77/55/07/545775507.db2.gz LCOCIMQPOFMSJE-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000683361777 545775503 /nfs/dbraw/zinc/77/55/03/545775503.db2.gz LCOCIMQPOFMSJE-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000683361777 545775497 /nfs/dbraw/zinc/77/54/97/545775497.db2.gz LCOCIMQPOFMSJE-KPWCQOOUSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000683361778 545774434 /nfs/dbraw/zinc/77/44/34/545774434.db2.gz LCOCIMQPOFMSJE-XDQVBPFNSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000683361778 545774428 /nfs/dbraw/zinc/77/44/28/545774428.db2.gz LCOCIMQPOFMSJE-XDQVBPFNSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000683361778 545774424 /nfs/dbraw/zinc/77/44/24/545774424.db2.gz LCOCIMQPOFMSJE-XDQVBPFNSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000683361778 545774419 /nfs/dbraw/zinc/77/44/19/545774419.db2.gz LCOCIMQPOFMSJE-XDQVBPFNSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000683361779 545774815 /nfs/dbraw/zinc/77/48/15/545774815.db2.gz LCOCIMQPOFMSJE-XUXIUFHCSA-N 2 2 342.440 -1.343 20 0 EAADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000683361779 545774808 /nfs/dbraw/zinc/77/48/08/545774808.db2.gz LCOCIMQPOFMSJE-XUXIUFHCSA-N 2 2 342.440 -1.343 20 0 EAADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CC(O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000685004740 545780476 /nfs/dbraw/zinc/78/04/76/545780476.db2.gz JRFAJXVQASQSCZ-KBUPBQIOSA-N 2 2 336.436 -1.232 20 0 EAADLP 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344.481 -1.013 20 0 EAADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341030 545782814 /nfs/dbraw/zinc/78/28/14/545782814.db2.gz FQIUQZDRLRTHMI-STQMWFEESA-N 2 2 344.481 -1.013 20 0 EAADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341030 545782810 /nfs/dbraw/zinc/78/28/10/545782810.db2.gz FQIUQZDRLRTHMI-STQMWFEESA-N 2 2 344.481 -1.013 20 0 EAADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000731870362 583201270 /nfs/dbraw/zinc/20/12/70/583201270.db2.gz FGJCRYNJESMNAE-UHFFFAOYSA-N 2 2 347.467 -1.038 20 0 EAADLP O=C(CC[NH+]1CCOCC1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000732158005 583201761 /nfs/dbraw/zinc/20/17/61/583201761.db2.gz OYWFHLPYFCVWKI-UHFFFAOYSA-N 2 2 328.413 -1.727 20 0 EAADLP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)n(C)c1=O ZINC000735055007 583209294 /nfs/dbraw/zinc/20/92/94/583209294.db2.gz MAAWXFKNZNTTGP-GFCCVEGCSA-N 2 2 349.435 -1.018 20 0 EAADLP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)n(C)c1=O 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C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000764342421 583265576 /nfs/dbraw/zinc/26/55/76/583265576.db2.gz YMTNSAXRDPXWPS-RCDICMHDSA-N 2 2 328.482 -1.101 20 0 EAADLP C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764342421 583265573 /nfs/dbraw/zinc/26/55/73/583265573.db2.gz YMTNSAXRDPXWPS-RCDICMHDSA-N 2 2 328.482 -1.101 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCC3OCCO3)CC2)CC1 ZINC000767765928 583270484 /nfs/dbraw/zinc/27/04/84/583270484.db2.gz MAHRSIVXBOEEKZ-UHFFFAOYSA-N 2 2 348.469 -1.141 20 0 EAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCS(C)(=O)=O ZINC000788385314 583294085 /nfs/dbraw/zinc/29/40/85/583294085.db2.gz PXLKMXHDCNRJGE-UHFFFAOYSA-N 2 2 336.458 -1.901 20 0 EAADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC(C(N)=O)=NO3)cn2)CC1 ZINC000788434074 583294885 /nfs/dbraw/zinc/29/48/85/583294885.db2.gz LMQVDZDLKRDYEZ-GFCCVEGCSA-N 2 2 333.396 -1.052 20 0 EAADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CC(C(N)=O)=NO3)cn2)CC1 ZINC000788434075 583294897 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C[NH+]1CCO[C@@H](C(=O)NCCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000830236469 583369593 /nfs/dbraw/zinc/36/95/93/583369593.db2.gz CMAHZKDKNBSXJN-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NCCCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000830236469 583369590 /nfs/dbraw/zinc/36/95/90/583369590.db2.gz CMAHZKDKNBSXJN-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C[NH3+])C1 ZINC000834298993 583384030 /nfs/dbraw/zinc/38/40/30/583384030.db2.gz GIACKYCTXLTJBE-GFCCVEGCSA-N 2 2 339.421 -1.415 20 0 EAADLP C[N@@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C[NH3+])C1 ZINC000834298993 583384026 /nfs/dbraw/zinc/38/40/26/583384026.db2.gz GIACKYCTXLTJBE-GFCCVEGCSA-N 2 2 339.421 -1.415 20 0 EAADLP C[N@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C[NH3+])C1 ZINC000834298996 583383912 /nfs/dbraw/zinc/38/39/12/583383912.db2.gz GIACKYCTXLTJBE-LBPRGKRZSA-N 2 2 339.421 -1.415 20 0 EAADLP C[N@@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C[NH3+])C1 ZINC000834298996 583383908 /nfs/dbraw/zinc/38/39/08/583383908.db2.gz GIACKYCTXLTJBE-LBPRGKRZSA-N 2 2 339.421 -1.415 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)CC1 ZINC000838787023 583239594 /nfs/dbraw/zinc/23/95/94/583239594.db2.gz AKDOCYBFPYDZFE-AWEZNQCLSA-N 2 2 332.470 -1.133 20 0 EAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)C3CC3)CC2)CC1 ZINC000838787029 583239413 /nfs/dbraw/zinc/23/94/13/583239413.db2.gz AKDOCYBFPYDZFE-CQSZACIVSA-N 2 2 332.470 -1.133 20 0 EAADLP [NH3+]CC[N@@H+](CCO)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843368259 583389237 /nfs/dbraw/zinc/38/92/37/583389237.db2.gz PKVOCOMDZDMRDN-UHFFFAOYSA-N 2 2 341.412 -1.085 20 0 EAADLP [NH3+]CC[N@H+](CCO)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843368259 583389235 /nfs/dbraw/zinc/38/92/35/583389235.db2.gz PKVOCOMDZDMRDN-UHFFFAOYSA-N 2 2 341.412 -1.085 20 0 EAADLP CC[NH2+]CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000843389259 583389197 /nfs/dbraw/zinc/38/91/97/583389197.db2.gz XNGPRSJOKJYCAG-UHFFFAOYSA-N 2 2 333.458 -1.768 20 0 EAADLP O=C(CNC(=O)CO[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000844175193 583391062 /nfs/dbraw/zinc/39/10/62/583391062.db2.gz FEDCPGVTEOXXKN-CYBMUJFWSA-N 2 2 328.413 -1.680 20 0 EAADLP O=C(CNC(=O)CO[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000844175194 583391047 /nfs/dbraw/zinc/39/10/47/583391047.db2.gz FEDCPGVTEOXXKN-ZDUSSCGKSA-N 2 2 328.413 -1.680 20 0 EAADLP C[NH+](C)CCN1CCN(C(=S)NCC[NH+]2CCOCC2)CC1=O ZINC000844570011 583391971 /nfs/dbraw/zinc/39/19/71/583391971.db2.gz QZVVXVVAZZZKEB-UHFFFAOYSA-N 2 2 343.497 -1.101 20 0 EAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846365170 583397951 /nfs/dbraw/zinc/39/79/51/583397951.db2.gz VKBWNNQPHTZMIQ-UHFFFAOYSA-N 2 2 330.429 -1.529 20 0 EAADLP CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000846666137 583398897 /nfs/dbraw/zinc/39/88/97/583398897.db2.gz DTPHTPSJQMRDGP-CYBMUJFWSA-N 2 2 349.501 -1.004 20 0 EAADLP CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000846666144 583398953 /nfs/dbraw/zinc/39/89/53/583398953.db2.gz DTPHTPSJQMRDGP-ZDUSSCGKSA-N 2 2 349.501 -1.004 20 0 EAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000846671964 583398989 /nfs/dbraw/zinc/39/89/89/583398989.db2.gz BKHCCHFAHBKPJM-WFASDCNBSA-N 2 2 345.465 -1.152 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848614445 583402944 /nfs/dbraw/zinc/40/29/44/583402944.db2.gz TUTLWUWEIZFHNB-RWMBFGLXSA-N 2 2 330.429 -1.620 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848614445 583402942 /nfs/dbraw/zinc/40/29/42/583402942.db2.gz TUTLWUWEIZFHNB-RWMBFGLXSA-N 2 2 330.429 -1.620 20 0 EAADLP C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848614447 583402995 /nfs/dbraw/zinc/40/29/95/583402995.db2.gz TUTLWUWEIZFHNB-UPJWGTAASA-N 2 2 330.429 -1.620 20 0 EAADLP C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848614447 583402992 /nfs/dbraw/zinc/40/29/92/583402992.db2.gz TUTLWUWEIZFHNB-UPJWGTAASA-N 2 2 330.429 -1.620 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCCNS(C)(=O)=O ZINC000849280417 583404303 /nfs/dbraw/zinc/40/43/03/583404303.db2.gz UYDQOBBWDGSZQE-UHFFFAOYSA-N 2 2 339.531 -1.117 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCCNS(C)(=O)=O ZINC000849280417 583404302 /nfs/dbraw/zinc/40/43/02/583404302.db2.gz UYDQOBBWDGSZQE-UHFFFAOYSA-N 2 2 339.531 -1.117 20 0 EAADLP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000852871337 583411009 /nfs/dbraw/zinc/41/10/09/583411009.db2.gz LXKZJKLMUYSUNW-NEPJUHHUSA-N 2 2 339.396 -1.861 20 0 EAADLP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000852871338 583410920 /nfs/dbraw/zinc/41/09/20/583410920.db2.gz LXKZJKLMUYSUNW-NWDGAFQWSA-N 2 2 339.396 -1.861 20 0 EAADLP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000852871339 583411161 /nfs/dbraw/zinc/41/11/61/583411161.db2.gz LXKZJKLMUYSUNW-RYUDHWBXSA-N 2 2 339.396 -1.861 20 0 EAADLP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000852871340 583410832 /nfs/dbraw/zinc/41/08/32/583410832.db2.gz LXKZJKLMUYSUNW-VXGBXAGGSA-N 2 2 339.396 -1.861 20 0 EAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852885809 583410990 /nfs/dbraw/zinc/41/09/90/583410990.db2.gz USFXBWKYXQCGQT-LLVKDONJSA-N 2 2 328.369 -1.576 20 0 EAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852885812 583411053 /nfs/dbraw/zinc/41/10/53/583411053.db2.gz USFXBWKYXQCGQT-NSHDSACASA-N 2 2 328.369 -1.576 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000854051864 583412606 /nfs/dbraw/zinc/41/26/06/583412606.db2.gz QGMCSGBDLWQKBH-LLVKDONJSA-N 2 2 328.417 -1.201 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000854051864 583412603 /nfs/dbraw/zinc/41/26/03/583412603.db2.gz QGMCSGBDLWQKBH-LLVKDONJSA-N 2 2 328.417 -1.201 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000854051865 583412746 /nfs/dbraw/zinc/41/27/46/583412746.db2.gz QGMCSGBDLWQKBH-NSHDSACASA-N 2 2 328.417 -1.201 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000854051865 583412744 /nfs/dbraw/zinc/41/27/44/583412744.db2.gz QGMCSGBDLWQKBH-NSHDSACASA-N 2 2 328.417 -1.201 20 0 EAADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000855415142 583416533 /nfs/dbraw/zinc/41/65/33/583416533.db2.gz RAJHYHFOUSFXSB-UHFFFAOYSA-N 2 2 325.413 -1.303 20 0 EAADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000855415142 583416531 /nfs/dbraw/zinc/41/65/31/583416531.db2.gz RAJHYHFOUSFXSB-UHFFFAOYSA-N 2 2 325.413 -1.303 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000855415348 583416616 /nfs/dbraw/zinc/41/66/16/583416616.db2.gz VVPKSELAODYMKY-UHFFFAOYSA-N 2 2 327.429 -1.043 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000855415348 583416615 /nfs/dbraw/zinc/41/66/15/583416615.db2.gz VVPKSELAODYMKY-UHFFFAOYSA-N 2 2 327.429 -1.043 20 0 EAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000855417352 583416622 /nfs/dbraw/zinc/41/66/22/583416622.db2.gz YYVUXBQVHLZIGA-UHFFFAOYSA-N 2 2 325.413 -1.074 20 0 EAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000855417352 583416620 /nfs/dbraw/zinc/41/66/20/583416620.db2.gz YYVUXBQVHLZIGA-UHFFFAOYSA-N 2 2 325.413 -1.074 20 0 EAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000861737334 583427228 /nfs/dbraw/zinc/42/72/28/583427228.db2.gz BEDJLSLSQIETBN-CYBMUJFWSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000861737335 583427256 /nfs/dbraw/zinc/42/72/56/583427256.db2.gz BEDJLSLSQIETBN-ZDUSSCGKSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000861779198 583427699 /nfs/dbraw/zinc/42/76/99/583427699.db2.gz PPIBHZSNTFNDNT-GXTWGEPZSA-N 2 2 335.408 -1.138 20 0 EAADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000861779198 583427696 /nfs/dbraw/zinc/42/76/96/583427696.db2.gz PPIBHZSNTFNDNT-GXTWGEPZSA-N 2 2 335.408 -1.138 20 0 EAADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000861779199 583427794 /nfs/dbraw/zinc/42/77/94/583427794.db2.gz PPIBHZSNTFNDNT-JSGCOSHPSA-N 2 2 335.408 -1.138 20 0 EAADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000861779199 583427793 /nfs/dbraw/zinc/42/77/93/583427793.db2.gz PPIBHZSNTFNDNT-JSGCOSHPSA-N 2 2 335.408 -1.138 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549617 583433632 /nfs/dbraw/zinc/43/36/32/583433632.db2.gz HINFYTWBRLODSC-MNOVXSKESA-N 2 2 325.369 -1.301 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000863767555 583435003 /nfs/dbraw/zinc/43/50/03/583435003.db2.gz QZGRGVHITKDHKQ-NEPJUHHUSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000863767555 583435001 /nfs/dbraw/zinc/43/50/01/583435001.db2.gz QZGRGVHITKDHKQ-NEPJUHHUSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000863767557 583434843 /nfs/dbraw/zinc/43/48/43/583434843.db2.gz QZGRGVHITKDHKQ-NWDGAFQWSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000863767557 583434840 /nfs/dbraw/zinc/43/48/40/583434840.db2.gz QZGRGVHITKDHKQ-NWDGAFQWSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000863767559 583434895 /nfs/dbraw/zinc/43/48/95/583434895.db2.gz QZGRGVHITKDHKQ-RYUDHWBXSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000863767559 583434892 /nfs/dbraw/zinc/43/48/92/583434892.db2.gz QZGRGVHITKDHKQ-RYUDHWBXSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000863767562 583435022 /nfs/dbraw/zinc/43/50/22/583435022.db2.gz QZGRGVHITKDHKQ-VXGBXAGGSA-N 2 2 328.413 -1.112 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000863767562 583435020 /nfs/dbraw/zinc/43/50/20/583435020.db2.gz QZGRGVHITKDHKQ-VXGBXAGGSA-N 2 2 328.413 -1.112 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863769033 583435434 /nfs/dbraw/zinc/43/54/34/583435434.db2.gz YFTCQNNOYSKKSG-GFCCVEGCSA-N 2 2 330.429 -1.402 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863769034 583435352 /nfs/dbraw/zinc/43/53/52/583435352.db2.gz YFTCQNNOYSKKSG-LBPRGKRZSA-N 2 2 330.429 -1.402 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863769471 583435444 /nfs/dbraw/zinc/43/54/44/583435444.db2.gz XPQBHKHASOEWII-CYBMUJFWSA-N 2 2 330.429 -1.401 20 0 EAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863769472 583435337 /nfs/dbraw/zinc/43/53/37/583435337.db2.gz XPQBHKHASOEWII-ZDUSSCGKSA-N 2 2 330.429 -1.401 20 0 EAADLP O=C(C(F)C(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000864815253 583436992 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CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)Cc2ccc[nH+]c21 ZINC000884725548 583465454 /nfs/dbraw/zinc/46/54/54/583465454.db2.gz NVFXDMWIMRDLFE-ZDUSSCGKSA-N 2 2 333.392 -1.035 20 0 EAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000884797554 583465625 /nfs/dbraw/zinc/46/56/25/583465625.db2.gz UTRFGUXTAKLNQW-CYBMUJFWSA-N 2 2 334.424 -1.113 20 0 EAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000884797560 583465572 /nfs/dbraw/zinc/46/55/72/583465572.db2.gz UTRFGUXTAKLNQW-ZDUSSCGKSA-N 2 2 334.424 -1.113 20 0 EAADLP CN1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)Cc2ccc[nH+]c21 ZINC000884815248 583465562 /nfs/dbraw/zinc/46/55/62/583465562.db2.gz NWRWHMXWWHFMNF-CYBMUJFWSA-N 2 2 333.392 -1.035 20 0 EAADLP CN1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)Cc2ccc[nH+]c21 ZINC000884815249 583465607 /nfs/dbraw/zinc/46/56/07/583465607.db2.gz NWRWHMXWWHFMNF-ZDUSSCGKSA-N 2 2 333.392 -1.035 20 0 EAADLP CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000887069111 583469543 /nfs/dbraw/zinc/46/95/43/583469543.db2.gz YGWXJIADOTUBCD-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000887069112 583469652 /nfs/dbraw/zinc/46/96/52/583469652.db2.gz YGWXJIADOTUBCD-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000887069113 583469620 /nfs/dbraw/zinc/46/96/20/583469620.db2.gz YGWXJIADOTUBCD-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000887069114 583469572 /nfs/dbraw/zinc/46/95/72/583469572.db2.gz YGWXJIADOTUBCD-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887087913 583470028 /nfs/dbraw/zinc/47/00/28/583470028.db2.gz AZQCSNXRPBUYIU-CHWSQXEVSA-N 2 2 328.413 -1.912 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887087914 583470047 /nfs/dbraw/zinc/47/00/47/583470047.db2.gz AZQCSNXRPBUYIU-OLZOCXBDSA-N 2 2 328.413 -1.912 20 0 EAADLP C[N@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)[C@H](C[NH3+])C1 ZINC000892320172 583179842 /nfs/dbraw/zinc/17/98/42/583179842.db2.gz NDBKVUAGESDVCE-GFCCVEGCSA-N 2 2 333.458 -1.304 20 0 EAADLP C[N@@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)[C@H](C[NH3+])C1 ZINC000892320172 583179840 /nfs/dbraw/zinc/17/98/40/583179840.db2.gz NDBKVUAGESDVCE-GFCCVEGCSA-N 2 2 333.458 -1.304 20 0 EAADLP C[N@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000892320173 583179823 /nfs/dbraw/zinc/17/98/23/583179823.db2.gz NDBKVUAGESDVCE-LBPRGKRZSA-N 2 2 333.458 -1.304 20 0 EAADLP C[N@@H+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000892320173 583179821 /nfs/dbraw/zinc/17/98/21/583179821.db2.gz NDBKVUAGESDVCE-LBPRGKRZSA-N 2 2 333.458 -1.304 20 0 EAADLP O=C(CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)NCC[NH+]1CCOCC1 ZINC000895856971 583187261 /nfs/dbraw/zinc/18/72/61/583187261.db2.gz YWVCALIITRXFJB-AWEZNQCLSA-N 2 2 340.424 -1.728 20 0 EAADLP O=C(CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)NCC[NH+]1CCOCC1 ZINC000895856974 583187243 /nfs/dbraw/zinc/18/72/43/583187243.db2.gz YWVCALIITRXFJB-CQSZACIVSA-N 2 2 340.424 -1.728 20 0 EAADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000896235037 583188121 /nfs/dbraw/zinc/18/81/21/583188121.db2.gz DKCZGFGFGYUDGY-AWEZNQCLSA-N 2 2 339.440 -1.171 20 0 EAADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000896235037 583188118 /nfs/dbraw/zinc/18/81/18/583188118.db2.gz DKCZGFGFGYUDGY-AWEZNQCLSA-N 2 2 339.440 -1.171 20 0 EAADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000896235038 583188108 /nfs/dbraw/zinc/18/81/08/583188108.db2.gz DKCZGFGFGYUDGY-CQSZACIVSA-N 2 2 339.440 -1.171 20 0 EAADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000896235038 583188106 /nfs/dbraw/zinc/18/81/06/583188106.db2.gz DKCZGFGFGYUDGY-CQSZACIVSA-N 2 2 339.440 -1.171 20 0 EAADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000897234716 583189498 /nfs/dbraw/zinc/18/94/98/583189498.db2.gz HZRAODUZEQQSDI-HNNXBMFYSA-N 2 2 327.425 -1.140 20 0 EAADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000897234717 583189561 /nfs/dbraw/zinc/18/95/61/583189561.db2.gz HZRAODUZEQQSDI-OAHLLOKOSA-N 2 2 327.425 -1.140 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897235514 583189461 /nfs/dbraw/zinc/18/94/61/583189461.db2.gz ULJFNDCCFDVTOL-CABCVRRESA-N 2 2 327.425 -1.141 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897235515 583189509 /nfs/dbraw/zinc/18/95/09/583189509.db2.gz ULJFNDCCFDVTOL-GJZGRUSLSA-N 2 2 327.425 -1.141 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897235516 583189630 /nfs/dbraw/zinc/18/96/30/583189630.db2.gz ULJFNDCCFDVTOL-HUUCEWRRSA-N 2 2 327.425 -1.141 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897235517 583189447 /nfs/dbraw/zinc/18/94/47/583189447.db2.gz ULJFNDCCFDVTOL-LSDHHAIUSA-N 2 2 327.425 -1.141 20 0 EAADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000897444411 583191602 /nfs/dbraw/zinc/19/16/02/583191602.db2.gz FCBUAAAFKAIIMR-CYBMUJFWSA-N 2 2 339.440 -1.523 20 0 EAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000897444411 583191599 /nfs/dbraw/zinc/19/15/99/583191599.db2.gz FCBUAAAFKAIIMR-CYBMUJFWSA-N 2 2 339.440 -1.523 20 0 EAADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000897444412 583191472 /nfs/dbraw/zinc/19/14/72/583191472.db2.gz FCBUAAAFKAIIMR-ZDUSSCGKSA-N 2 2 339.440 -1.523 20 0 EAADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000897444412 583191468 /nfs/dbraw/zinc/19/14/68/583191468.db2.gz FCBUAAAFKAIIMR-ZDUSSCGKSA-N 2 2 339.440 -1.523 20 0 EAADLP O=C(N[C@H](CO)C[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897655300 583194014 /nfs/dbraw/zinc/19/40/14/583194014.db2.gz ITVDUVNXGWXSEC-AWEZNQCLSA-N 2 2 327.425 -1.094 20 0 EAADLP O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897655301 583193670 /nfs/dbraw/zinc/19/36/70/583193670.db2.gz ITVDUVNXGWXSEC-CQSZACIVSA-N 2 2 327.425 -1.094 20 0 EAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000897717609 583194477 /nfs/dbraw/zinc/19/44/77/583194477.db2.gz VCULRYPKIWIIIG-CYBMUJFWSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000897717609 583194476 /nfs/dbraw/zinc/19/44/76/583194476.db2.gz VCULRYPKIWIIIG-CYBMUJFWSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000897717609 583194472 /nfs/dbraw/zinc/19/44/72/583194472.db2.gz VCULRYPKIWIIIG-CYBMUJFWSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000897717609 583194469 /nfs/dbraw/zinc/19/44/69/583194469.db2.gz VCULRYPKIWIIIG-CYBMUJFWSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000897717610 583194415 /nfs/dbraw/zinc/19/44/15/583194415.db2.gz VCULRYPKIWIIIG-ZDUSSCGKSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000897717610 583194413 /nfs/dbraw/zinc/19/44/13/583194413.db2.gz VCULRYPKIWIIIG-ZDUSSCGKSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000897717610 583194410 /nfs/dbraw/zinc/19/44/10/583194410.db2.gz VCULRYPKIWIIIG-ZDUSSCGKSA-N 2 2 325.457 -1.099 20 0 EAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000897717610 583194406 /nfs/dbraw/zinc/19/44/06/583194406.db2.gz VCULRYPKIWIIIG-ZDUSSCGKSA-N 2 2 325.457 -1.099 20 0 EAADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000899733243 583198481 /nfs/dbraw/zinc/19/84/81/583198481.db2.gz YLPGYGYVMGPTHE-AWEZNQCLSA-N 2 2 342.440 -1.793 20 0 EAADLP C[N@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000899733243 583198480 /nfs/dbraw/zinc/19/84/80/583198480.db2.gz YLPGYGYVMGPTHE-AWEZNQCLSA-N 2 2 342.440 -1.793 20 0 EAADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000899733244 583198440 /nfs/dbraw/zinc/19/84/40/583198440.db2.gz YLPGYGYVMGPTHE-CQSZACIVSA-N 2 2 342.440 -1.793 20 0 EAADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000899733244 583198439 /nfs/dbraw/zinc/19/84/39/583198439.db2.gz YLPGYGYVMGPTHE-CQSZACIVSA-N 2 2 342.440 -1.793 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1CCNC(=O)C1 ZINC000900692931 673869682 /nfs/dbraw/zinc/86/96/82/673869682.db2.gz LSPFPLULUSTSOT-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1CCNC(=O)C1 ZINC000900692931 673869681 /nfs/dbraw/zinc/86/96/81/673869681.db2.gz LSPFPLULUSTSOT-UHFFFAOYSA-N 2 2 325.457 -1.097 20 0 EAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900733303 673871503 /nfs/dbraw/zinc/87/15/03/673871503.db2.gz UCWNTLNJOVVWAC-BFYDXBDKSA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000900733303 673871500 /nfs/dbraw/zinc/87/15/00/673871500.db2.gz UCWNTLNJOVVWAC-BFYDXBDKSA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733303 673871497 /nfs/dbraw/zinc/87/14/97/673871497.db2.gz UCWNTLNJOVVWAC-BFYDXBDKSA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733303 673871495 /nfs/dbraw/zinc/87/14/95/673871495.db2.gz UCWNTLNJOVVWAC-BFYDXBDKSA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900733317 673871607 /nfs/dbraw/zinc/87/16/07/673871607.db2.gz UCWNTLNJOVVWAC-INMHGKMJSA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000900733317 673871603 /nfs/dbraw/zinc/87/16/03/673871603.db2.gz UCWNTLNJOVVWAC-INMHGKMJSA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733317 673871599 /nfs/dbraw/zinc/87/15/99/673871599.db2.gz UCWNTLNJOVVWAC-INMHGKMJSA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733317 673871595 /nfs/dbraw/zinc/87/15/95/673871595.db2.gz UCWNTLNJOVVWAC-INMHGKMJSA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900733319 673871683 /nfs/dbraw/zinc/87/16/83/673871683.db2.gz UCWNTLNJOVVWAC-UXLLHSPISA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000900733319 673871680 /nfs/dbraw/zinc/87/16/80/673871680.db2.gz UCWNTLNJOVVWAC-UXLLHSPISA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733319 673871677 /nfs/dbraw/zinc/87/16/77/673871677.db2.gz UCWNTLNJOVVWAC-UXLLHSPISA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733319 673871675 /nfs/dbraw/zinc/87/16/75/673871675.db2.gz UCWNTLNJOVVWAC-UXLLHSPISA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900733321 673871713 /nfs/dbraw/zinc/87/17/13/673871713.db2.gz UCWNTLNJOVVWAC-ZMSDIMECSA-N 2 2 340.468 -1.036 20 0 EAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000900733321 673871711 /nfs/dbraw/zinc/87/17/11/673871711.db2.gz UCWNTLNJOVVWAC-ZMSDIMECSA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733321 673871708 /nfs/dbraw/zinc/87/17/08/673871708.db2.gz UCWNTLNJOVVWAC-ZMSDIMECSA-N 2 2 340.468 -1.036 20 0 EAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000900733321 673871706 /nfs/dbraw/zinc/87/17/06/673871706.db2.gz UCWNTLNJOVVWAC-ZMSDIMECSA-N 2 2 340.468 -1.036 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900982491 673891810 /nfs/dbraw/zinc/89/18/10/673891810.db2.gz DOJQDMFJEIIIOQ-GDBMZVCRSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900982491 673891808 /nfs/dbraw/zinc/89/18/08/673891808.db2.gz DOJQDMFJEIIIOQ-GDBMZVCRSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900982496 673891541 /nfs/dbraw/zinc/89/15/41/673891541.db2.gz DOJQDMFJEIIIOQ-GOEBONIOSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900982496 673891539 /nfs/dbraw/zinc/89/15/39/673891539.db2.gz DOJQDMFJEIIIOQ-GOEBONIOSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900982498 673891436 /nfs/dbraw/zinc/89/14/36/673891436.db2.gz DOJQDMFJEIIIOQ-HOCLYGCPSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900982498 673891434 /nfs/dbraw/zinc/89/14/34/673891434.db2.gz DOJQDMFJEIIIOQ-HOCLYGCPSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900982499 673891609 /nfs/dbraw/zinc/89/16/09/673891609.db2.gz DOJQDMFJEIIIOQ-ZBFHGGJFSA-N 2 2 329.441 -1.015 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900982499 673891604 /nfs/dbraw/zinc/89/16/04/673891604.db2.gz DOJQDMFJEIIIOQ-ZBFHGGJFSA-N 2 2 329.441 -1.015 20 0 EAADLP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000903430770 674083356 /nfs/dbraw/zinc/08/33/56/674083356.db2.gz AQCZGPNPMOPKDK-CABCVRRESA-N 2 2 345.513 -1.048 20 0 EAADLP CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000903519141 674088164 /nfs/dbraw/zinc/08/81/64/674088164.db2.gz BRGOIOKXPXXMSV-GFCCVEGCSA-N 2 2 334.442 -1.247 20 0 EAADLP CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000903519142 674088141 /nfs/dbraw/zinc/08/81/41/674088141.db2.gz BRGOIOKXPXXMSV-LBPRGKRZSA-N 2 2 334.442 -1.247 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000903598539 674090727 /nfs/dbraw/zinc/09/07/27/674090727.db2.gz OLNGHAWEABJJMB-AWEZNQCLSA-N 2 2 334.486 -1.126 20 0 EAADLP COC[C@H]1C[NH2+]CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000903598614 674090889 /nfs/dbraw/zinc/09/08/89/674090889.db2.gz OLNGHAWEABJJMB-CQSZACIVSA-N 2 2 334.486 -1.126 20 0 EAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000903744536 674096390 /nfs/dbraw/zinc/09/63/90/674096390.db2.gz VDIGCXOBVFIWJY-CYBMUJFWSA-N 2 2 330.454 -1.082 20 0 EAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000903744536 674096387 /nfs/dbraw/zinc/09/63/87/674096387.db2.gz VDIGCXOBVFIWJY-CYBMUJFWSA-N 2 2 330.454 -1.082 20 0 EAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000903744537 674096080 /nfs/dbraw/zinc/09/60/80/674096080.db2.gz VDIGCXOBVFIWJY-ZDUSSCGKSA-N 2 2 330.454 -1.082 20 0 EAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000903744537 674096076 /nfs/dbraw/zinc/09/60/76/674096076.db2.gz VDIGCXOBVFIWJY-ZDUSSCGKSA-N 2 2 330.454 -1.082 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903778325 674097042 /nfs/dbraw/zinc/09/70/42/674097042.db2.gz MEKKPJZNLFNODW-HZSPNIEDSA-N 2 2 326.441 -1.045 20 0 EAADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C(=O)N1CC[NH+](C)CC1)C2 ZINC000903778785 674097176 /nfs/dbraw/zinc/09/71/76/674097176.db2.gz RXNMVZCDVKSECI-OZVIIMIRSA-N 2 2 338.408 -1.501 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903789709 674097725 /nfs/dbraw/zinc/09/77/25/674097725.db2.gz BNPSBGCOBOCEFE-QWHCGFSZSA-N 2 2 328.413 -1.912 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903789710 674097453 /nfs/dbraw/zinc/09/74/53/674097453.db2.gz BNPSBGCOBOCEFE-STQMWFEESA-N 2 2 328.413 -1.912 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792496 674097609 /nfs/dbraw/zinc/09/76/09/674097609.db2.gz MCYGDFOUVBYVES-CHWSQXEVSA-N 2 2 342.440 -1.666 20 0 EAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792500 674097681 /nfs/dbraw/zinc/09/76/81/674097681.db2.gz MCYGDFOUVBYVES-OLZOCXBDSA-N 2 2 342.440 -1.666 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792502 674097468 /nfs/dbraw/zinc/09/74/68/674097468.db2.gz MCYGDFOUVBYVES-QWHCGFSZSA-N 2 2 342.440 -1.666 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792504 674097463 /nfs/dbraw/zinc/09/74/63/674097463.db2.gz MCYGDFOUVBYVES-STQMWFEESA-N 2 2 342.440 -1.666 20 0 EAADLP C[NH2+]CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000903810392 674097710 /nfs/dbraw/zinc/09/77/10/674097710.db2.gz AAARWHCZMHPGEK-AWEZNQCLSA-N 2 2 344.456 -1.406 20 0 EAADLP C[NH2+]CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000903810393 674097576 /nfs/dbraw/zinc/09/75/76/674097576.db2.gz AAARWHCZMHPGEK-CQSZACIVSA-N 2 2 344.456 -1.406 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000904968438 669324171 /nfs/dbraw/zinc/32/41/71/669324171.db2.gz ACDXDJCXJLDZPA-ZDUSSCGKSA-N 2 2 342.440 -1.522 20 0 EAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000904971122 669324023 /nfs/dbraw/zinc/32/40/23/669324023.db2.gz OTZXJZDGBGCMML-UHFFFAOYSA-N 2 2 342.440 -1.257 20 0 EAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000904986425 669326585 /nfs/dbraw/zinc/32/65/85/669326585.db2.gz IEJIZQIIWUKARS-AWEZNQCLSA-N 2 2 342.440 -1.386 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000904986426 669326710 /nfs/dbraw/zinc/32/67/10/669326710.db2.gz IEJIZQIIWUKARS-CQSZACIVSA-N 2 2 342.440 -1.386 20 0 EAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000904998494 669324827 /nfs/dbraw/zinc/32/48/27/669324827.db2.gz WUAGSXOAGOZJRB-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000904998501 669324838 /nfs/dbraw/zinc/32/48/38/669324838.db2.gz WUAGSXOAGOZJRB-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000905015226 669325756 /nfs/dbraw/zinc/32/57/56/669325756.db2.gz NFVJPTMTCHSNNN-CYBMUJFWSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000905015227 669325550 /nfs/dbraw/zinc/32/55/50/669325550.db2.gz NFVJPTMTCHSNNN-ZDUSSCGKSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000905020953 669327659 /nfs/dbraw/zinc/32/76/59/669327659.db2.gz BKMJBUXYVBCFRS-CYBMUJFWSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000905020953 669327656 /nfs/dbraw/zinc/32/76/56/669327656.db2.gz BKMJBUXYVBCFRS-CYBMUJFWSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000905020954 669327702 /nfs/dbraw/zinc/32/77/02/669327702.db2.gz BKMJBUXYVBCFRS-ZDUSSCGKSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000905020954 669327698 /nfs/dbraw/zinc/32/76/98/669327698.db2.gz BKMJBUXYVBCFRS-ZDUSSCGKSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000905021053 669327442 /nfs/dbraw/zinc/32/74/42/669327442.db2.gz CXJAVCVWFHWHGV-QWHCGFSZSA-N 2 2 328.413 -2.042 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000905021054 669327355 /nfs/dbraw/zinc/32/73/55/669327355.db2.gz CXJAVCVWFHWHGV-STQMWFEESA-N 2 2 328.413 -2.042 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000905022484 669328315 /nfs/dbraw/zinc/32/83/15/669328315.db2.gz RNOKXGNYLDWWDS-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000905022484 669328312 /nfs/dbraw/zinc/32/83/12/669328312.db2.gz RNOKXGNYLDWWDS-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000905022486 669328462 /nfs/dbraw/zinc/32/84/62/669328462.db2.gz RNOKXGNYLDWWDS-MJBXVCDLSA-N 2 2 342.440 -1.653 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000905022486 669328459 /nfs/dbraw/zinc/32/84/59/669328459.db2.gz RNOKXGNYLDWWDS-MJBXVCDLSA-N 2 2 342.440 -1.653 20 0 EAADLP O=S(=O)(CCC[NH+]1CCOCC1)NCCCN1CC[NH2+]CC1 ZINC000905331068 669328970 /nfs/dbraw/zinc/32/89/70/669328970.db2.gz YRNYJFYSCFGCIS-UHFFFAOYSA-N 2 2 334.486 -1.077 20 0 EAADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447919 669329267 /nfs/dbraw/zinc/32/92/67/669329267.db2.gz VMZOGQKSMRDUGO-CYBMUJFWSA-N 2 2 327.429 -1.042 20 0 EAADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447926 669329230 /nfs/dbraw/zinc/32/92/30/669329230.db2.gz VMZOGQKSMRDUGO-ZDUSSCGKSA-N 2 2 327.429 -1.042 20 0 EAADLP Cc1nc([C@H]2CN(C(=O)C[NH+](C)C)CCN2C(=O)C[NH+](C)C)n[nH]1 ZINC000909060824 669350685 /nfs/dbraw/zinc/35/06/85/669350685.db2.gz UHHIIWZZZBZXLN-GFCCVEGCSA-N 2 2 337.428 -1.052 20 0 EAADLP Cc1nnc([C@H]2CN(C(=O)C[NH+](C)C)CCN2C(=O)C[NH+](C)C)[nH]1 ZINC000909060824 669350681 /nfs/dbraw/zinc/35/06/81/669350681.db2.gz UHHIIWZZZBZXLN-GFCCVEGCSA-N 2 2 337.428 -1.052 20 0 EAADLP Cc1nc([C@@H]2CN(C(=O)C[NH+](C)C)CCN2C(=O)C[NH+](C)C)n[nH]1 ZINC000909060825 669350672 /nfs/dbraw/zinc/35/06/72/669350672.db2.gz UHHIIWZZZBZXLN-LBPRGKRZSA-N 2 2 337.428 -1.052 20 0 EAADLP Cc1nnc([C@@H]2CN(C(=O)C[NH+](C)C)CCN2C(=O)C[NH+](C)C)[nH]1 ZINC000909060825 669350662 /nfs/dbraw/zinc/35/06/62/669350662.db2.gz UHHIIWZZZBZXLN-LBPRGKRZSA-N 2 2 337.428 -1.052 20 0 EAADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000910655608 669384393 /nfs/dbraw/zinc/38/43/93/669384393.db2.gz ZJRVGDCYCDMDJG-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000910655608 669384387 /nfs/dbraw/zinc/38/43/87/669384387.db2.gz ZJRVGDCYCDMDJG-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000910655610 669383663 /nfs/dbraw/zinc/38/36/63/669383663.db2.gz ZJRVGDCYCDMDJG-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000910655610 669383654 /nfs/dbraw/zinc/38/36/54/669383654.db2.gz ZJRVGDCYCDMDJG-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000910655612 669384334 /nfs/dbraw/zinc/38/43/34/669384334.db2.gz ZJRVGDCYCDMDJG-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000910655612 669384328 /nfs/dbraw/zinc/38/43/28/669384328.db2.gz ZJRVGDCYCDMDJG-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000910655614 669384000 /nfs/dbraw/zinc/38/40/00/669384000.db2.gz ZJRVGDCYCDMDJG-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000910655614 669383994 /nfs/dbraw/zinc/38/39/94/669383994.db2.gz ZJRVGDCYCDMDJG-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000910905939 669396391 /nfs/dbraw/zinc/39/63/91/669396391.db2.gz IHWLODRBHQYHIV-GRDNDAEWSA-N 2 2 338.452 -1.079 20 0 EAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000910905939 669396386 /nfs/dbraw/zinc/39/63/86/669396386.db2.gz IHWLODRBHQYHIV-GRDNDAEWSA-N 2 2 338.452 -1.079 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000910977523 669399028 /nfs/dbraw/zinc/39/90/28/669399028.db2.gz MKZXOTHETKFJFW-GFCCVEGCSA-N 2 2 338.412 -1.451 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000910977524 669398931 /nfs/dbraw/zinc/39/89/31/669398931.db2.gz MKZXOTHETKFJFW-LBPRGKRZSA-N 2 2 338.412 -1.451 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911029068 669400442 /nfs/dbraw/zinc/40/04/42/669400442.db2.gz BPWJUIJTPUVGBO-CHWSQXEVSA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911029068 669400436 /nfs/dbraw/zinc/40/04/36/669400436.db2.gz BPWJUIJTPUVGBO-CHWSQXEVSA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911029069 669400483 /nfs/dbraw/zinc/40/04/83/669400483.db2.gz BPWJUIJTPUVGBO-OLZOCXBDSA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911029069 669400478 /nfs/dbraw/zinc/40/04/78/669400478.db2.gz BPWJUIJTPUVGBO-OLZOCXBDSA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911029070 669400570 /nfs/dbraw/zinc/40/05/70/669400570.db2.gz BPWJUIJTPUVGBO-QWHCGFSZSA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000911029070 669400569 /nfs/dbraw/zinc/40/05/69/669400569.db2.gz BPWJUIJTPUVGBO-QWHCGFSZSA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911029071 669400644 /nfs/dbraw/zinc/40/06/44/669400644.db2.gz BPWJUIJTPUVGBO-STQMWFEESA-N 2 2 327.429 -2.205 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000911029071 669400640 /nfs/dbraw/zinc/40/06/40/669400640.db2.gz BPWJUIJTPUVGBO-STQMWFEESA-N 2 2 327.429 -2.205 20 0 EAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000911033808 669401170 /nfs/dbraw/zinc/40/11/70/669401170.db2.gz LABSWCNFIYGTIQ-UMVBOHGHSA-N 3 2 337.468 -1.005 20 0 EAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000911033808 669401166 /nfs/dbraw/zinc/40/11/66/669401166.db2.gz LABSWCNFIYGTIQ-UMVBOHGHSA-N 3 2 337.468 -1.005 20 0 EAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000911033809 669401339 /nfs/dbraw/zinc/40/13/39/669401339.db2.gz LABSWCNFIYGTIQ-VNHYZAJKSA-N 3 2 337.468 -1.005 20 0 EAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000911033809 669401335 /nfs/dbraw/zinc/40/13/35/669401335.db2.gz LABSWCNFIYGTIQ-VNHYZAJKSA-N 3 2 337.468 -1.005 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CNOC3)C2)CC1 ZINC000911034150 669401557 /nfs/dbraw/zinc/40/15/57/669401557.db2.gz MIMGKUASRYOQQS-NEPJUHHUSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CNOC3)C2)CC1 ZINC000911034150 669401555 /nfs/dbraw/zinc/40/15/55/669401555.db2.gz MIMGKUASRYOQQS-NEPJUHHUSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CNOC3)C2)CC1 ZINC000911034151 669401432 /nfs/dbraw/zinc/40/14/32/669401432.db2.gz MIMGKUASRYOQQS-NWDGAFQWSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CNOC3)C2)CC1 ZINC000911034151 669401428 /nfs/dbraw/zinc/40/14/28/669401428.db2.gz MIMGKUASRYOQQS-NWDGAFQWSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CNOC3)C2)CC1 ZINC000911034152 669401139 /nfs/dbraw/zinc/40/11/39/669401139.db2.gz MIMGKUASRYOQQS-RYUDHWBXSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CNOC3)C2)CC1 ZINC000911034152 669401134 /nfs/dbraw/zinc/40/11/34/669401134.db2.gz MIMGKUASRYOQQS-RYUDHWBXSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CNOC3)C2)CC1 ZINC000911034153 669401228 /nfs/dbraw/zinc/40/12/28/669401228.db2.gz MIMGKUASRYOQQS-VXGBXAGGSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CNOC3)C2)CC1 ZINC000911034153 669401224 /nfs/dbraw/zinc/40/12/24/669401224.db2.gz MIMGKUASRYOQQS-VXGBXAGGSA-N 2 2 325.413 -1.709 20 0 EAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CNOC3)CC2)CC1 ZINC000911135825 669404349 /nfs/dbraw/zinc/40/43/49/669404349.db2.gz WWRIFOXTUXPPKG-CYBMUJFWSA-N 2 2 339.440 -1.319 20 0 EAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CNOC3)CC2)CC1 ZINC000911135826 669404389 /nfs/dbraw/zinc/40/43/89/669404389.db2.gz WWRIFOXTUXPPKG-ZDUSSCGKSA-N 2 2 339.440 -1.319 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000911137955 669404689 /nfs/dbraw/zinc/40/46/89/669404689.db2.gz JGVBNJSZJGFJAL-KBPBESRZSA-N 2 2 342.440 -1.482 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000911137956 669404706 /nfs/dbraw/zinc/40/47/06/669404706.db2.gz JGVBNJSZJGFJAL-KGLIPLIRSA-N 2 2 342.440 -1.482 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000911137957 669404269 /nfs/dbraw/zinc/40/42/69/669404269.db2.gz JGVBNJSZJGFJAL-UONOGXRCSA-N 2 2 342.440 -1.482 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000911137958 669404767 /nfs/dbraw/zinc/40/47/67/669404767.db2.gz JGVBNJSZJGFJAL-ZIAGYGMSSA-N 2 2 342.440 -1.482 20 0 EAADLP C[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000911138548 669404404 /nfs/dbraw/zinc/40/44/04/669404404.db2.gz RQKGUBQERJORDL-AWEZNQCLSA-N 2 2 341.456 -1.908 20 0 EAADLP C[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000911138549 669404488 /nfs/dbraw/zinc/40/44/88/669404488.db2.gz RQKGUBQERJORDL-CQSZACIVSA-N 2 2 341.456 -1.908 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161026 669405456 /nfs/dbraw/zinc/40/54/56/669405456.db2.gz DNMIDLGRKJZHDY-AGIUHOORSA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000911161026 669405451 /nfs/dbraw/zinc/40/54/51/669405451.db2.gz DNMIDLGRKJZHDY-AGIUHOORSA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161027 669405655 /nfs/dbraw/zinc/40/56/55/669405655.db2.gz DNMIDLGRKJZHDY-AVGNSLFASA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000911161027 669405650 /nfs/dbraw/zinc/40/56/50/669405650.db2.gz DNMIDLGRKJZHDY-AVGNSLFASA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000911161028 669406309 /nfs/dbraw/zinc/40/63/09/669406309.db2.gz DNMIDLGRKJZHDY-FRRDWIJNSA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000911161028 669406308 /nfs/dbraw/zinc/40/63/08/669406308.db2.gz DNMIDLGRKJZHDY-FRRDWIJNSA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000911161029 669406231 /nfs/dbraw/zinc/40/62/31/669406231.db2.gz DNMIDLGRKJZHDY-RWMBFGLXSA-N 2 2 328.413 -1.732 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000911161029 669406226 /nfs/dbraw/zinc/40/62/26/669406226.db2.gz DNMIDLGRKJZHDY-RWMBFGLXSA-N 2 2 328.413 -1.732 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000911161922 669406379 /nfs/dbraw/zinc/40/63/79/669406379.db2.gz MOIXJLAAJGTTDU-BFHYXJOUSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000911161922 669406378 /nfs/dbraw/zinc/40/63/78/669406378.db2.gz MOIXJLAAJGTTDU-BFHYXJOUSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161923 669406351 /nfs/dbraw/zinc/40/63/51/669406351.db2.gz MOIXJLAAJGTTDU-MCIONIFRSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000911161923 669406350 /nfs/dbraw/zinc/40/63/50/669406350.db2.gz MOIXJLAAJGTTDU-MCIONIFRSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000911161924 669406046 /nfs/dbraw/zinc/40/60/46/669406046.db2.gz MOIXJLAAJGTTDU-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000911161924 669406041 /nfs/dbraw/zinc/40/60/41/669406041.db2.gz MOIXJLAAJGTTDU-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161925 669406279 /nfs/dbraw/zinc/40/62/79/669406279.db2.gz MOIXJLAAJGTTDU-MJBXVCDLSA-N 2 2 342.440 -1.341 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000911161925 669406277 /nfs/dbraw/zinc/40/62/77/669406277.db2.gz MOIXJLAAJGTTDU-MJBXVCDLSA-N 2 2 342.440 -1.341 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000911163890 669406336 /nfs/dbraw/zinc/40/63/36/669406336.db2.gz ZLOFCUALEOPXEA-CHWSQXEVSA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@H+](C)CCO1 ZINC000911163890 669406334 /nfs/dbraw/zinc/40/63/34/669406334.db2.gz ZLOFCUALEOPXEA-CHWSQXEVSA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163891 669406138 /nfs/dbraw/zinc/40/61/38/669406138.db2.gz ZLOFCUALEOPXEA-OLZOCXBDSA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000911163891 669406133 /nfs/dbraw/zinc/40/61/33/669406133.db2.gz ZLOFCUALEOPXEA-OLZOCXBDSA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000911163892 669406257 /nfs/dbraw/zinc/40/62/57/669406257.db2.gz ZLOFCUALEOPXEA-QWHCGFSZSA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@H+](C)CCO1 ZINC000911163892 669406254 /nfs/dbraw/zinc/40/62/54/669406254.db2.gz ZLOFCUALEOPXEA-QWHCGFSZSA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163893 669406327 /nfs/dbraw/zinc/40/63/27/669406327.db2.gz ZLOFCUALEOPXEA-STQMWFEESA-N 2 2 327.429 -2.157 20 0 EAADLP C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000911163893 669406324 /nfs/dbraw/zinc/40/63/24/669406324.db2.gz ZLOFCUALEOPXEA-STQMWFEESA-N 2 2 327.429 -2.157 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187887 669407144 /nfs/dbraw/zinc/40/71/44/669407144.db2.gz VHRUHKBEDGISHW-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187898 669406979 /nfs/dbraw/zinc/40/69/79/669406979.db2.gz VHRUHKBEDGISHW-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000911239119 669409566 /nfs/dbraw/zinc/40/95/66/669409566.db2.gz AIQDKIVACUHACA-CHWSQXEVSA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000911239119 669409564 /nfs/dbraw/zinc/40/95/64/669409564.db2.gz AIQDKIVACUHACA-CHWSQXEVSA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000911239122 669409190 /nfs/dbraw/zinc/40/91/90/669409190.db2.gz AIQDKIVACUHACA-OLZOCXBDSA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000911239122 669409183 /nfs/dbraw/zinc/40/91/83/669409183.db2.gz AIQDKIVACUHACA-OLZOCXBDSA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000911239124 669409391 /nfs/dbraw/zinc/40/93/91/669409391.db2.gz AIQDKIVACUHACA-QWHCGFSZSA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000911239124 669409389 /nfs/dbraw/zinc/40/93/89/669409389.db2.gz AIQDKIVACUHACA-QWHCGFSZSA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000911239127 669409321 /nfs/dbraw/zinc/40/93/21/669409321.db2.gz AIQDKIVACUHACA-STQMWFEESA-N 2 2 328.413 -1.730 20 0 EAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000911239127 669409320 /nfs/dbraw/zinc/40/93/20/669409320.db2.gz AIQDKIVACUHACA-STQMWFEESA-N 2 2 328.413 -1.730 20 0 EAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911248269 669410326 /nfs/dbraw/zinc/41/03/26/669410326.db2.gz VUYVPPCHXUTNFR-UHFFFAOYSA-N 2 2 327.429 -2.154 20 0 EAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911248550 669410305 /nfs/dbraw/zinc/41/03/05/669410305.db2.gz XPYKNSNZOWHBJM-CYBMUJFWSA-N 2 2 328.413 -1.728 20 0 EAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911248555 669410208 /nfs/dbraw/zinc/41/02/08/669410208.db2.gz XPYKNSNZOWHBJM-ZDUSSCGKSA-N 2 2 328.413 -1.728 20 0 EAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911248584 669410239 /nfs/dbraw/zinc/41/02/39/669410239.db2.gz YMOAHHFDQGADBR-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911248585 669409911 /nfs/dbraw/zinc/40/99/11/669409911.db2.gz YMOAHHFDQGADBR-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911346902 669417426 /nfs/dbraw/zinc/41/74/26/669417426.db2.gz RWJIMLGBDGXXFQ-AGIUHOORSA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911346902 669417422 /nfs/dbraw/zinc/41/74/22/669417422.db2.gz RWJIMLGBDGXXFQ-AGIUHOORSA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911346904 669417164 /nfs/dbraw/zinc/41/71/64/669417164.db2.gz RWJIMLGBDGXXFQ-FRRDWIJNSA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911346904 669417163 /nfs/dbraw/zinc/41/71/63/669417163.db2.gz RWJIMLGBDGXXFQ-FRRDWIJNSA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911346905 669417322 /nfs/dbraw/zinc/41/73/22/669417322.db2.gz RWJIMLGBDGXXFQ-JHJVBQTASA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911346905 669417320 /nfs/dbraw/zinc/41/73/20/669417320.db2.gz RWJIMLGBDGXXFQ-JHJVBQTASA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911346906 669417258 /nfs/dbraw/zinc/41/72/58/669417258.db2.gz RWJIMLGBDGXXFQ-UPJWGTAASA-N 2 2 342.465 -1.213 20 0 EAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911346906 669417257 /nfs/dbraw/zinc/41/72/57/669417257.db2.gz RWJIMLGBDGXXFQ-UPJWGTAASA-N 2 2 342.465 -1.213 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000911370015 669419248 /nfs/dbraw/zinc/41/92/48/669419248.db2.gz LGHWLTXKSDSGJQ-FRRDWIJNSA-N 2 2 340.424 -1.194 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000911370015 669419247 /nfs/dbraw/zinc/41/92/47/669419247.db2.gz LGHWLTXKSDSGJQ-FRRDWIJNSA-N 2 2 340.424 -1.194 20 0 EAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000911370016 669419222 /nfs/dbraw/zinc/41/92/22/669419222.db2.gz LGHWLTXKSDSGJQ-JHJVBQTASA-N 2 2 340.424 -1.194 20 0 EAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000911370016 669419218 /nfs/dbraw/zinc/41/92/18/669419218.db2.gz LGHWLTXKSDSGJQ-JHJVBQTASA-N 2 2 340.424 -1.194 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911375047 669419676 /nfs/dbraw/zinc/41/96/76/669419676.db2.gz PSCXUOPTBGIZLD-TZMCWYRMSA-N 2 2 342.440 -1.484 20 0 EAADLP CN(C(=O)C(=O)N[C@@H]1CNOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000911455611 669426233 /nfs/dbraw/zinc/42/62/33/669426233.db2.gz OHMOLKJYMGZRFZ-OCCSQVGLSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(C(=O)C(=O)N[C@@H]1CNOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000911455611 669426229 /nfs/dbraw/zinc/42/62/29/669426229.db2.gz OHMOLKJYMGZRFZ-OCCSQVGLSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(C(=O)C(=O)N[C@@H]1CNOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000911455620 669426151 /nfs/dbraw/zinc/42/61/51/669426151.db2.gz OHMOLKJYMGZRFZ-TZMCWYRMSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(C(=O)C(=O)N[C@@H]1CNOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000911455620 669426145 /nfs/dbraw/zinc/42/61/45/669426145.db2.gz OHMOLKJYMGZRFZ-TZMCWYRMSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911455753 669426491 /nfs/dbraw/zinc/42/64/91/669426491.db2.gz QLNBYWPEUZPPLV-GFCCVEGCSA-N 2 2 327.429 -1.510 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911455753 669426488 /nfs/dbraw/zinc/42/64/88/669426488.db2.gz QLNBYWPEUZPPLV-GFCCVEGCSA-N 2 2 327.429 -1.510 20 0 EAADLP CN(C(=O)C(=O)N[C@H]1CNOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000911463920 669423643 /nfs/dbraw/zinc/42/36/43/669423643.db2.gz OHMOLKJYMGZRFZ-GXTWGEPZSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(C(=O)C(=O)N[C@H]1CNOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000911463920 669423641 /nfs/dbraw/zinc/42/36/41/669423641.db2.gz OHMOLKJYMGZRFZ-GXTWGEPZSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(C(=O)C(=O)N[C@H]1CNOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000911463921 669423674 /nfs/dbraw/zinc/42/36/74/669423674.db2.gz OHMOLKJYMGZRFZ-JSGCOSHPSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(C(=O)C(=O)N[C@H]1CNOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000911463921 669423670 /nfs/dbraw/zinc/42/36/70/669423670.db2.gz OHMOLKJYMGZRFZ-JSGCOSHPSA-N 2 2 339.440 -1.367 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911464288 669423515 /nfs/dbraw/zinc/42/35/15/669423515.db2.gz QLNBYWPEUZPPLV-LBPRGKRZSA-N 2 2 327.429 -1.510 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911464288 669423511 /nfs/dbraw/zinc/42/35/11/669423511.db2.gz QLNBYWPEUZPPLV-LBPRGKRZSA-N 2 2 327.429 -1.510 20 0 EAADLP Cc1cccc(NCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)[nH+]1 ZINC000911480198 669427950 /nfs/dbraw/zinc/42/79/50/669427950.db2.gz FOBVLEKIXJYHRM-UHFFFAOYSA-N 2 2 334.424 -1.060 20 0 EAADLP Cc1ccc(NCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)[nH+]c1 ZINC000911480227 669427684 /nfs/dbraw/zinc/42/76/84/669427684.db2.gz GJMOYBZEKSOPNM-UHFFFAOYSA-N 2 2 334.424 -1.060 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911503584 669427762 /nfs/dbraw/zinc/42/77/62/669427762.db2.gz PGCVHLFWEGUDNL-UHFFFAOYSA-N 2 2 328.413 -1.601 20 0 EAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCON ZINC000911513599 669428817 /nfs/dbraw/zinc/42/88/17/669428817.db2.gz GFBWXPVZCFQIJY-UHFFFAOYSA-N 2 2 329.445 -1.133 20 0 EAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCON ZINC000911513599 669428813 /nfs/dbraw/zinc/42/88/13/669428813.db2.gz GFBWXPVZCFQIJY-UHFFFAOYSA-N 2 2 329.445 -1.133 20 0 EAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911557605 669430222 /nfs/dbraw/zinc/43/02/22/669430222.db2.gz PUJFTLMYRABUQU-JOCQHMNTSA-N 2 2 342.440 -1.355 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911696960 669434109 /nfs/dbraw/zinc/43/41/09/669434109.db2.gz YVLJRFWHYLBINU-CABCVRRESA-N 2 2 326.441 -1.112 20 0 EAADLP O=C(CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH2+]CC1 ZINC000911703328 669435102 /nfs/dbraw/zinc/43/51/02/669435102.db2.gz XLAZDENOTCVNJZ-KGLIPLIRSA-N 2 2 340.424 -1.586 20 0 EAADLP CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C[NH3+])C1 ZINC000911880384 669438293 /nfs/dbraw/zinc/43/82/93/669438293.db2.gz VDBRUYXEQCNJMJ-KFWWJZLASA-N 2 2 326.441 -1.033 20 0 EAADLP CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](C[NH3+])C1 ZINC000911880386 669438468 /nfs/dbraw/zinc/43/84/68/669438468.db2.gz VDBRUYXEQCNJMJ-ZNMIVQPWSA-N 2 2 326.441 -1.033 20 0 EAADLP C[NH+]1CCN(c2cccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)n2)CC1 ZINC000913182314 669471505 /nfs/dbraw/zinc/47/15/05/669471505.db2.gz GYQSRXFQKWNGCP-KRWDZBQOSA-N 2 2 349.435 -1.086 20 0 EAADLP C[NH+]1CCN(c2cccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)n2)CC1 ZINC000913182315 669472011 /nfs/dbraw/zinc/47/20/11/669472011.db2.gz GYQSRXFQKWNGCP-QGZVFWFLSA-N 2 2 349.435 -1.086 20 0 EAADLP C[NH+]1CCN(c2cc(C(=O)NC[C@]3(CO)COCC[NH2+]3)ccn2)CC1 ZINC000913189178 669472766 /nfs/dbraw/zinc/47/27/66/669472766.db2.gz RKASIXYEJZDZRA-KRWDZBQOSA-N 2 2 349.435 -1.086 20 0 EAADLP C[NH+]1CCN(c2cc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)ccn2)CC1 ZINC000913189179 669472599 /nfs/dbraw/zinc/47/25/99/669472599.db2.gz RKASIXYEJZDZRA-QGZVFWFLSA-N 2 2 349.435 -1.086 20 0 EAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000913683917 669820006 /nfs/dbraw/zinc/82/00/06/669820006.db2.gz XYJURSPUZCHFFG-UHFFFAOYSA-N 2 2 325.457 -1.288 20 0 EAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000913683917 669820000 /nfs/dbraw/zinc/82/00/00/669820000.db2.gz XYJURSPUZCHFFG-UHFFFAOYSA-N 2 2 325.457 -1.288 20 0 EAADLP C[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000915800313 669867922 /nfs/dbraw/zinc/86/79/22/669867922.db2.gz QHETXHVFJOQRET-UHFFFAOYSA-N 2 2 342.440 -1.432 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2)CC1 ZINC000918911775 669946061 /nfs/dbraw/zinc/94/60/61/669946061.db2.gz BETIYTCZZTZLCF-LLVKDONJSA-N 2 2 345.469 -1.163 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2)CC1 ZINC000918911775 669946058 /nfs/dbraw/zinc/94/60/58/669946058.db2.gz BETIYTCZZTZLCF-LLVKDONJSA-N 2 2 345.469 -1.163 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2)CC1 ZINC000918911857 669945989 /nfs/dbraw/zinc/94/59/89/669945989.db2.gz BETIYTCZZTZLCF-NSHDSACASA-N 2 2 345.469 -1.163 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2)CC1 ZINC000918911857 669945985 /nfs/dbraw/zinc/94/59/85/669945985.db2.gz BETIYTCZZTZLCF-NSHDSACASA-N 2 2 345.469 -1.163 20 0 EAADLP C[NH+](C)C1(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000922997157 669584259 /nfs/dbraw/zinc/58/42/59/669584259.db2.gz GDFJPNDCCLYUQP-GFCCVEGCSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](C)C1(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000922997157 669584255 /nfs/dbraw/zinc/58/42/55/669584255.db2.gz GDFJPNDCCLYUQP-GFCCVEGCSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](C)C1(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000922997159 669583939 /nfs/dbraw/zinc/58/39/39/669583939.db2.gz GDFJPNDCCLYUQP-LBPRGKRZSA-N 2 2 327.429 -1.092 20 0 EAADLP C[NH+](C)C1(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000922997159 669583935 /nfs/dbraw/zinc/58/39/35/669583935.db2.gz GDFJPNDCCLYUQP-LBPRGKRZSA-N 2 2 327.429 -1.092 20 0 EAADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000923373115 669603155 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SVCHOPRBAFJQSV-CQSZACIVSA-N 2 2 330.429 -1.347 20 0 EAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604151 /nfs/dbraw/zinc/60/41/51/669604151.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604148 /nfs/dbraw/zinc/60/41/48/669604148.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604145 /nfs/dbraw/zinc/60/41/45/669604145.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604141 /nfs/dbraw/zinc/60/41/41/669604141.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414546 669604064 /nfs/dbraw/zinc/60/40/64/669604064.db2.gz 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LWRKRHCYGJSXEK-XQLPTFJDSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414548 669603919 /nfs/dbraw/zinc/60/39/19/669603919.db2.gz LWRKRHCYGJSXEK-XQLPTFJDSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414548 669603916 /nfs/dbraw/zinc/60/39/16/669603916.db2.gz LWRKRHCYGJSXEK-XQLPTFJDSA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414551 669604128 /nfs/dbraw/zinc/60/41/28/669604128.db2.gz LWRKRHCYGJSXEK-YJNKXOJESA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414551 669604127 /nfs/dbraw/zinc/60/41/27/669604127.db2.gz LWRKRHCYGJSXEK-YJNKXOJESA-N 3 2 342.440 -1.208 20 0 EAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414551 669604126 /nfs/dbraw/zinc/60/41/26/669604126.db2.gz 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CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923463763 669607510 /nfs/dbraw/zinc/60/75/10/669607510.db2.gz VFTPFBJHCVFTCJ-MRXNPFEDSA-N 3 2 341.500 -1.046 20 0 EAADLP CN(CCCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000923518848 669609323 /nfs/dbraw/zinc/60/93/23/669609323.db2.gz OUAQELNGAUOCHR-QWHCGFSZSA-N 2 2 332.470 -1.075 20 0 EAADLP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000923518848 669609320 /nfs/dbraw/zinc/60/93/20/669609320.db2.gz OUAQELNGAUOCHR-QWHCGFSZSA-N 2 2 332.470 -1.075 20 0 EAADLP O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)C1C[NH2+]C1 ZINC000923585499 669618576 /nfs/dbraw/zinc/61/85/76/669618576.db2.gz UMOKRFXKRSFCLR-UHFFFAOYSA-N 2 2 340.453 -1.120 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923586062 669618741 /nfs/dbraw/zinc/61/87/41/669618741.db2.gz OZNOBDYIPOINOJ-UHFFFAOYSA-N 2 2 337.409 -1.213 20 0 EAADLP CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923586554 669618340 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C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC000958375798 670683808 /nfs/dbraw/zinc/68/38/08/670683808.db2.gz WESRJEYKRJZALJ-KBPBESRZSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC000958375798 670683807 /nfs/dbraw/zinc/68/38/07/670683807.db2.gz WESRJEYKRJZALJ-KBPBESRZSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC000958375799 670683900 /nfs/dbraw/zinc/68/39/00/670683900.db2.gz WESRJEYKRJZALJ-KGLIPLIRSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]2O)CC1 ZINC000958375799 670683895 /nfs/dbraw/zinc/68/38/95/670683895.db2.gz WESRJEYKRJZALJ-KGLIPLIRSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2O)CC1 ZINC000958375800 670683846 /nfs/dbraw/zinc/68/38/46/670683846.db2.gz WESRJEYKRJZALJ-UONOGXRCSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2O)CC1 ZINC000958375800 670683839 /nfs/dbraw/zinc/68/38/39/670683839.db2.gz WESRJEYKRJZALJ-UONOGXRCSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2O)CC1 ZINC000958375801 670683673 /nfs/dbraw/zinc/68/36/73/670683673.db2.gz WESRJEYKRJZALJ-ZIAGYGMSSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2O)CC1 ZINC000958375801 670683671 /nfs/dbraw/zinc/68/36/71/670683671.db2.gz WESRJEYKRJZALJ-ZIAGYGMSSA-N 2 2 347.481 -1.218 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414678 670691602 /nfs/dbraw/zinc/69/16/02/670691602.db2.gz IRKSXKMPLNKZAT-IATRGZMQSA-N 2 2 349.435 -1.915 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414678 670691599 /nfs/dbraw/zinc/69/15/99/670691599.db2.gz IRKSXKMPLNKZAT-IATRGZMQSA-N 2 2 349.435 -1.915 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414678 670691594 /nfs/dbraw/zinc/69/15/94/670691594.db2.gz IRKSXKMPLNKZAT-IATRGZMQSA-N 2 2 349.435 -1.915 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414678 670691591 /nfs/dbraw/zinc/69/15/91/670691591.db2.gz IRKSXKMPLNKZAT-IATRGZMQSA-N 2 2 349.435 -1.915 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414680 670691312 /nfs/dbraw/zinc/69/13/12/670691312.db2.gz IRKSXKMPLNKZAT-RSUWNVLCSA-N 2 2 349.435 -1.915 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414680 670691311 /nfs/dbraw/zinc/69/13/11/670691311.db2.gz IRKSXKMPLNKZAT-RSUWNVLCSA-N 2 2 349.435 -1.915 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414680 670691309 /nfs/dbraw/zinc/69/13/09/670691309.db2.gz IRKSXKMPLNKZAT-RSUWNVLCSA-N 2 2 349.435 -1.915 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958414680 670691308 /nfs/dbraw/zinc/69/13/08/670691308.db2.gz IRKSXKMPLNKZAT-RSUWNVLCSA-N 2 2 349.435 -1.915 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474418 670701675 /nfs/dbraw/zinc/70/16/75/670701675.db2.gz LDBFXXKIDRFBJR-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474418 670701672 /nfs/dbraw/zinc/70/16/72/670701672.db2.gz LDBFXXKIDRFBJR-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474418 670701670 /nfs/dbraw/zinc/70/16/70/670701670.db2.gz LDBFXXKIDRFBJR-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474418 670701667 /nfs/dbraw/zinc/70/16/67/670701667.db2.gz LDBFXXKIDRFBJR-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474420 670701460 /nfs/dbraw/zinc/70/14/60/670701460.db2.gz LDBFXXKIDRFBJR-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474420 670701455 /nfs/dbraw/zinc/70/14/55/670701455.db2.gz LDBFXXKIDRFBJR-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474420 670701451 /nfs/dbraw/zinc/70/14/51/670701451.db2.gz LDBFXXKIDRFBJR-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000958474420 670701449 /nfs/dbraw/zinc/70/14/49/670701449.db2.gz LDBFXXKIDRFBJR-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474837 670701542 /nfs/dbraw/zinc/70/15/42/670701542.db2.gz SMAXQTFLRNNOSZ-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474837 670701540 /nfs/dbraw/zinc/70/15/40/670701540.db2.gz SMAXQTFLRNNOSZ-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474837 670701537 /nfs/dbraw/zinc/70/15/37/670701537.db2.gz SMAXQTFLRNNOSZ-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474837 670701536 /nfs/dbraw/zinc/70/15/36/670701536.db2.gz SMAXQTFLRNNOSZ-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474939 670701651 /nfs/dbraw/zinc/70/16/51/670701651.db2.gz SMAXQTFLRNNOSZ-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474939 670701647 /nfs/dbraw/zinc/70/16/47/670701647.db2.gz SMAXQTFLRNNOSZ-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474939 670701644 /nfs/dbraw/zinc/70/16/44/670701644.db2.gz SMAXQTFLRNNOSZ-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000958474939 670701640 /nfs/dbraw/zinc/70/16/40/670701640.db2.gz SMAXQTFLRNNOSZ-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP CN(C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000958475033 670701435 /nfs/dbraw/zinc/70/14/35/670701435.db2.gz UPOOXTCNQHXTQE-CTASWTNQSA-N 2 2 336.436 -1.016 20 0 EAADLP CN(C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000958475033 670701430 /nfs/dbraw/zinc/70/14/30/670701430.db2.gz UPOOXTCNQHXTQE-CTASWTNQSA-N 2 2 336.436 -1.016 20 0 EAADLP CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000958475033 670701427 /nfs/dbraw/zinc/70/14/27/670701427.db2.gz UPOOXTCNQHXTQE-CTASWTNQSA-N 2 2 336.436 -1.016 20 0 EAADLP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000958475033 670701423 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C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)CC1 ZINC000970957110 668313432 /nfs/dbraw/zinc/31/34/32/668313432.db2.gz QGFPHFHEOWZUAI-KGLIPLIRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)CC[N@H+]1C ZINC000970958118 668312937 /nfs/dbraw/zinc/31/29/37/668312937.db2.gz MJJAOKFONCZKSK-ZRJCITRHSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970958118 668312933 /nfs/dbraw/zinc/31/29/33/668312933.db2.gz MJJAOKFONCZKSK-ZRJCITRHSA-N 2 2 335.408 -1.020 20 0 EAADLP C[NH+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971267691 668327995 /nfs/dbraw/zinc/32/79/95/668327995.db2.gz PEGLZZZPIZQGMG-KBPBESRZSA-N 2 2 339.440 -1.125 20 0 EAADLP C[NH+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971267691 668327990 /nfs/dbraw/zinc/32/79/90/668327990.db2.gz PEGLZZZPIZQGMG-KBPBESRZSA-N 2 2 339.440 -1.125 20 0 EAADLP 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ZINC000971267693 668328143 /nfs/dbraw/zinc/32/81/43/668328143.db2.gz PEGLZZZPIZQGMG-KGLIPLIRSA-N 2 2 339.440 -1.125 20 0 EAADLP C[NH+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971267696 668328096 /nfs/dbraw/zinc/32/80/96/668328096.db2.gz PEGLZZZPIZQGMG-UONOGXRCSA-N 2 2 339.440 -1.125 20 0 EAADLP C[NH+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971267696 668328094 /nfs/dbraw/zinc/32/80/94/668328094.db2.gz PEGLZZZPIZQGMG-UONOGXRCSA-N 2 2 339.440 -1.125 20 0 EAADLP C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971267696 668328089 /nfs/dbraw/zinc/32/80/89/668328089.db2.gz PEGLZZZPIZQGMG-UONOGXRCSA-N 2 2 339.440 -1.125 20 0 EAADLP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971267696 668328086 /nfs/dbraw/zinc/32/80/86/668328086.db2.gz PEGLZZZPIZQGMG-UONOGXRCSA-N 2 2 339.440 -1.125 20 0 EAADLP C[NH+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971267697 668327900 /nfs/dbraw/zinc/32/79/00/668327900.db2.gz PEGLZZZPIZQGMG-ZIAGYGMSSA-N 2 2 339.440 -1.125 20 0 EAADLP C[NH+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971267697 668327894 /nfs/dbraw/zinc/32/78/94/668327894.db2.gz PEGLZZZPIZQGMG-ZIAGYGMSSA-N 2 2 339.440 -1.125 20 0 EAADLP C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971267697 668327889 /nfs/dbraw/zinc/32/78/89/668327889.db2.gz PEGLZZZPIZQGMG-ZIAGYGMSSA-N 2 2 339.440 -1.125 20 0 EAADLP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971267697 668327878 /nfs/dbraw/zinc/32/78/78/668327878.db2.gz PEGLZZZPIZQGMG-ZIAGYGMSSA-N 2 2 339.440 -1.125 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000973124717 668768775 /nfs/dbraw/zinc/76/87/75/668768775.db2.gz SWNQSWNFEHJBLS-AAVRWANBSA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000973124717 668768773 /nfs/dbraw/zinc/76/87/73/668768773.db2.gz SWNQSWNFEHJBLS-AAVRWANBSA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000973125022 668768986 /nfs/dbraw/zinc/76/89/86/668768986.db2.gz SWNQSWNFEHJBLS-XUXIUFHCSA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000973125022 668768985 /nfs/dbraw/zinc/76/89/85/668768985.db2.gz SWNQSWNFEHJBLS-XUXIUFHCSA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000974001119 668093230 /nfs/dbraw/zinc/09/32/30/668093230.db2.gz SWNQSWNFEHJBLS-CRWXNKLISA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000974001119 668093228 /nfs/dbraw/zinc/09/32/28/668093228.db2.gz SWNQSWNFEHJBLS-CRWXNKLISA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000974001126 668093090 /nfs/dbraw/zinc/09/30/90/668093090.db2.gz SWNQSWNFEHJBLS-XJFOESAGSA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000974001126 668093086 /nfs/dbraw/zinc/09/30/86/668093086.db2.gz SWNQSWNFEHJBLS-XJFOESAGSA-N 2 2 340.424 -1.589 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000976275411 668229982 /nfs/dbraw/zinc/22/99/82/668229982.db2.gz UUOIPXKAQICPQF-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000976275411 668229979 /nfs/dbraw/zinc/22/99/79/668229979.db2.gz UUOIPXKAQICPQF-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275411 668229975 /nfs/dbraw/zinc/22/99/75/668229975.db2.gz UUOIPXKAQICPQF-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275411 668229972 /nfs/dbraw/zinc/22/99/72/668229972.db2.gz UUOIPXKAQICPQF-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000976275414 668229910 /nfs/dbraw/zinc/22/99/10/668229910.db2.gz UUOIPXKAQICPQF-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000976275414 668229904 /nfs/dbraw/zinc/22/99/04/668229904.db2.gz UUOIPXKAQICPQF-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275414 668229899 /nfs/dbraw/zinc/22/98/99/668229899.db2.gz UUOIPXKAQICPQF-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275414 668229874 /nfs/dbraw/zinc/22/98/74/668229874.db2.gz UUOIPXKAQICPQF-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000976275417 668230063 /nfs/dbraw/zinc/23/00/63/668230063.db2.gz UUOIPXKAQICPQF-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000976275417 668230059 /nfs/dbraw/zinc/23/00/59/668230059.db2.gz UUOIPXKAQICPQF-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275417 668230055 /nfs/dbraw/zinc/23/00/55/668230055.db2.gz UUOIPXKAQICPQF-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275417 668230052 /nfs/dbraw/zinc/23/00/52/668230052.db2.gz UUOIPXKAQICPQF-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000976275419 668230096 /nfs/dbraw/zinc/23/00/96/668230096.db2.gz UUOIPXKAQICPQF-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000976275419 668230091 /nfs/dbraw/zinc/23/00/91/668230091.db2.gz UUOIPXKAQICPQF-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275419 668230086 /nfs/dbraw/zinc/23/00/86/668230086.db2.gz UUOIPXKAQICPQF-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC000976275419 668230084 /nfs/dbraw/zinc/23/00/84/668230084.db2.gz UUOIPXKAQICPQF-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976311213 668235495 /nfs/dbraw/zinc/23/54/95/668235495.db2.gz NXICITFRQIWDAZ-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976311213 668235493 /nfs/dbraw/zinc/23/54/93/668235493.db2.gz NXICITFRQIWDAZ-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000976311213 668235488 /nfs/dbraw/zinc/23/54/88/668235488.db2.gz NXICITFRQIWDAZ-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000976311213 668235485 /nfs/dbraw/zinc/23/54/85/668235485.db2.gz NXICITFRQIWDAZ-AIEDFZFUSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976311215 668235072 /nfs/dbraw/zinc/23/50/72/668235072.db2.gz NXICITFRQIWDAZ-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976311215 668235069 /nfs/dbraw/zinc/23/50/69/668235069.db2.gz NXICITFRQIWDAZ-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000976311215 668235066 /nfs/dbraw/zinc/23/50/66/668235066.db2.gz NXICITFRQIWDAZ-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000976311215 668235063 /nfs/dbraw/zinc/23/50/63/668235063.db2.gz NXICITFRQIWDAZ-KHMAMNHCSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976311216 668235363 /nfs/dbraw/zinc/23/53/63/668235363.db2.gz NXICITFRQIWDAZ-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976311216 668235359 /nfs/dbraw/zinc/23/53/59/668235359.db2.gz NXICITFRQIWDAZ-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000976311216 668235353 /nfs/dbraw/zinc/23/53/53/668235353.db2.gz NXICITFRQIWDAZ-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000976311216 668235348 /nfs/dbraw/zinc/23/53/48/668235348.db2.gz NXICITFRQIWDAZ-SEBNEYGDSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976311218 668235407 /nfs/dbraw/zinc/23/54/07/668235407.db2.gz NXICITFRQIWDAZ-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976311218 668235405 /nfs/dbraw/zinc/23/54/05/668235405.db2.gz NXICITFRQIWDAZ-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000976311218 668235401 /nfs/dbraw/zinc/23/54/01/668235401.db2.gz NXICITFRQIWDAZ-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000976311218 668235397 /nfs/dbraw/zinc/23/53/97/668235397.db2.gz NXICITFRQIWDAZ-XPABHHOTSA-N 2 2 336.436 -1.016 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000976313190 668236082 /nfs/dbraw/zinc/23/60/82/668236082.db2.gz PHORAQNZCOBCJQ-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000976313190 668236080 /nfs/dbraw/zinc/23/60/80/668236080.db2.gz PHORAQNZCOBCJQ-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000976313199 668235913 /nfs/dbraw/zinc/23/59/13/668235913.db2.gz PHORAQNZCOBCJQ-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000976313199 668235909 /nfs/dbraw/zinc/23/59/09/668235909.db2.gz PHORAQNZCOBCJQ-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976534685 668261551 /nfs/dbraw/zinc/26/15/51/668261551.db2.gz CQCCCQHEDDHPIH-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976534685 668261548 /nfs/dbraw/zinc/26/15/48/668261548.db2.gz CQCCCQHEDDHPIH-CTASWTNQSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976534687 668261665 /nfs/dbraw/zinc/26/16/65/668261665.db2.gz CQCCCQHEDDHPIH-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976534687 668261659 /nfs/dbraw/zinc/26/16/59/668261659.db2.gz CQCCCQHEDDHPIH-KNCOVGOOSA-N 2 2 336.436 -1.014 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)nc1=O ZINC000977921764 668393854 /nfs/dbraw/zinc/39/38/54/668393854.db2.gz PQQVNNNDBJWIDL-FVCCEPFGSA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)nc1=O ZINC000977921764 668393851 /nfs/dbraw/zinc/39/38/51/668393851.db2.gz PQQVNNNDBJWIDL-FVCCEPFGSA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC000977921764 668393847 /nfs/dbraw/zinc/39/38/47/668393847.db2.gz PQQVNNNDBJWIDL-FVCCEPFGSA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC000977921764 668393838 /nfs/dbraw/zinc/39/38/38/668393838.db2.gz PQQVNNNDBJWIDL-FVCCEPFGSA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)nc1=O ZINC000977921767 668394009 /nfs/dbraw/zinc/39/40/09/668394009.db2.gz PQQVNNNDBJWIDL-RVMXOQNASA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)nc1=O ZINC000977921767 668394007 /nfs/dbraw/zinc/39/40/07/668394007.db2.gz PQQVNNNDBJWIDL-RVMXOQNASA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC000977921767 668394003 /nfs/dbraw/zinc/39/40/03/668394003.db2.gz PQQVNNNDBJWIDL-RVMXOQNASA-N 2 2 334.424 -1.003 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC000977921767 668393998 /nfs/dbraw/zinc/39/39/98/668393998.db2.gz PQQVNNNDBJWIDL-RVMXOQNASA-N 2 2 334.424 -1.003 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949131 668396072 /nfs/dbraw/zinc/39/60/72/668396072.db2.gz CXJQKHRWNGUKPV-APIJFGDWSA-N 2 2 336.436 -1.157 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949131 668396070 /nfs/dbraw/zinc/39/60/70/668396070.db2.gz CXJQKHRWNGUKPV-APIJFGDWSA-N 2 2 336.436 -1.157 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949131 668396068 /nfs/dbraw/zinc/39/60/68/668396068.db2.gz CXJQKHRWNGUKPV-APIJFGDWSA-N 2 2 336.436 -1.157 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949131 668396065 /nfs/dbraw/zinc/39/60/65/668396065.db2.gz CXJQKHRWNGUKPV-APIJFGDWSA-N 2 2 336.436 -1.157 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949144 668395912 /nfs/dbraw/zinc/39/59/12/668395912.db2.gz CXJQKHRWNGUKPV-XQLPTFJDSA-N 2 2 336.436 -1.157 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949144 668395910 /nfs/dbraw/zinc/39/59/10/668395910.db2.gz CXJQKHRWNGUKPV-XQLPTFJDSA-N 2 2 336.436 -1.157 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949144 668395905 /nfs/dbraw/zinc/39/59/05/668395905.db2.gz CXJQKHRWNGUKPV-XQLPTFJDSA-N 2 2 336.436 -1.157 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000977949144 668395901 /nfs/dbraw/zinc/39/59/01/668395901.db2.gz CXJQKHRWNGUKPV-XQLPTFJDSA-N 2 2 336.436 -1.157 20 0 EAADLP Cn1nncc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977955901 668396455 /nfs/dbraw/zinc/39/64/55/668396455.db2.gz NZMXAOYKNZHGQV-APIJFGDWSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955901 668396449 /nfs/dbraw/zinc/39/64/49/668396449.db2.gz NZMXAOYKNZHGQV-APIJFGDWSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955901 668396446 /nfs/dbraw/zinc/39/64/46/668396446.db2.gz NZMXAOYKNZHGQV-APIJFGDWSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955901 668396441 /nfs/dbraw/zinc/39/64/41/668396441.db2.gz NZMXAOYKNZHGQV-APIJFGDWSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977955908 668396583 /nfs/dbraw/zinc/39/65/83/668396583.db2.gz NZMXAOYKNZHGQV-XQLPTFJDSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955908 668396579 /nfs/dbraw/zinc/39/65/79/668396579.db2.gz NZMXAOYKNZHGQV-XQLPTFJDSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955908 668396573 /nfs/dbraw/zinc/39/65/73/668396573.db2.gz NZMXAOYKNZHGQV-XQLPTFJDSA-N 2 2 334.424 -1.060 20 0 EAADLP Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955908 668396568 /nfs/dbraw/zinc/39/65/68/668396568.db2.gz NZMXAOYKNZHGQV-XQLPTFJDSA-N 2 2 334.424 -1.060 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959237 668396369 /nfs/dbraw/zinc/39/63/69/668396369.db2.gz WSNFPCLHOWJLPW-FQUUOJAGSA-N 2 2 345.465 -1.344 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959237 668396366 /nfs/dbraw/zinc/39/63/66/668396366.db2.gz WSNFPCLHOWJLPW-FQUUOJAGSA-N 2 2 345.465 -1.344 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959237 668396362 /nfs/dbraw/zinc/39/63/62/668396362.db2.gz WSNFPCLHOWJLPW-FQUUOJAGSA-N 2 2 345.465 -1.344 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959237 668396359 /nfs/dbraw/zinc/39/63/59/668396359.db2.gz WSNFPCLHOWJLPW-FQUUOJAGSA-N 2 2 345.465 -1.344 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959249 668396615 /nfs/dbraw/zinc/39/66/15/668396615.db2.gz WSNFPCLHOWJLPW-YIYPIFLZSA-N 2 2 345.465 -1.344 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959249 668396612 /nfs/dbraw/zinc/39/66/12/668396612.db2.gz WSNFPCLHOWJLPW-YIYPIFLZSA-N 2 2 345.465 -1.344 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959249 668396607 /nfs/dbraw/zinc/39/66/07/668396607.db2.gz WSNFPCLHOWJLPW-YIYPIFLZSA-N 2 2 345.465 -1.344 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC000977959249 668396600 /nfs/dbraw/zinc/39/66/00/668396600.db2.gz WSNFPCLHOWJLPW-YIYPIFLZSA-N 2 2 345.465 -1.344 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960482 668396687 /nfs/dbraw/zinc/39/66/87/668396687.db2.gz ZMUQMAILIFENDH-APIJFGDWSA-N 2 2 336.436 -1.110 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960482 668396682 /nfs/dbraw/zinc/39/66/82/668396682.db2.gz ZMUQMAILIFENDH-APIJFGDWSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960482 668396678 /nfs/dbraw/zinc/39/66/78/668396678.db2.gz ZMUQMAILIFENDH-APIJFGDWSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960482 668396675 /nfs/dbraw/zinc/39/66/75/668396675.db2.gz ZMUQMAILIFENDH-APIJFGDWSA-N 2 2 336.436 -1.110 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960497 668396508 /nfs/dbraw/zinc/39/65/08/668396508.db2.gz ZMUQMAILIFENDH-XQLPTFJDSA-N 2 2 336.436 -1.110 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960497 668396506 /nfs/dbraw/zinc/39/65/06/668396506.db2.gz ZMUQMAILIFENDH-XQLPTFJDSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960497 668396502 /nfs/dbraw/zinc/39/65/02/668396502.db2.gz ZMUQMAILIFENDH-XQLPTFJDSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000977960497 668396499 /nfs/dbraw/zinc/39/64/99/668396499.db2.gz ZMUQMAILIFENDH-XQLPTFJDSA-N 2 2 336.436 -1.110 20 0 EAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)nc1=O ZINC000978956058 668453793 /nfs/dbraw/zinc/45/37/93/668453793.db2.gz DBBMUYSWSADJII-XYYAHUGASA-N 2 2 346.435 -1.002 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)nc1=O ZINC000978956058 668453791 /nfs/dbraw/zinc/45/37/91/668453791.db2.gz DBBMUYSWSADJII-XYYAHUGASA-N 2 2 346.435 -1.002 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)nc1=O ZINC000979071705 668458552 /nfs/dbraw/zinc/45/85/52/668458552.db2.gz MVJBVPIAVRBGHB-LPWJVIDDSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)nc1=O ZINC000979071705 668458550 /nfs/dbraw/zinc/45/85/50/668458550.db2.gz MVJBVPIAVRBGHB-LPWJVIDDSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)nc1=O ZINC000979071705 668458547 /nfs/dbraw/zinc/45/85/47/668458547.db2.gz MVJBVPIAVRBGHB-LPWJVIDDSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)nc1=O ZINC000979071705 668458544 /nfs/dbraw/zinc/45/85/44/668458544.db2.gz MVJBVPIAVRBGHB-LPWJVIDDSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)nc1=O ZINC000979071706 668459268 /nfs/dbraw/zinc/45/92/68/668459268.db2.gz MVJBVPIAVRBGHB-ZDEQEGDKSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)nc1=O ZINC000979071706 668459265 /nfs/dbraw/zinc/45/92/65/668459265.db2.gz MVJBVPIAVRBGHB-ZDEQEGDKSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)nc1=O ZINC000979071706 668459262 /nfs/dbraw/zinc/45/92/62/668459262.db2.gz MVJBVPIAVRBGHB-ZDEQEGDKSA-N 2 2 334.424 -1.146 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)nc1=O ZINC000979071706 668459260 /nfs/dbraw/zinc/45/92/60/668459260.db2.gz MVJBVPIAVRBGHB-ZDEQEGDKSA-N 2 2 334.424 -1.146 20 0 EAADLP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979450125 668483864 /nfs/dbraw/zinc/48/38/64/668483864.db2.gz TVWNXUWUJBMPJX-NEPJUHHUSA-N 2 2 349.395 -1.289 20 0 EAADLP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979450126 668484048 /nfs/dbraw/zinc/48/40/48/668484048.db2.gz TVWNXUWUJBMPJX-NWDGAFQWSA-N 2 2 349.395 -1.289 20 0 EAADLP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979450127 668483921 /nfs/dbraw/zinc/48/39/21/668483921.db2.gz TVWNXUWUJBMPJX-RYUDHWBXSA-N 2 2 349.395 -1.289 20 0 EAADLP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979450129 668484039 /nfs/dbraw/zinc/48/40/39/668484039.db2.gz TVWNXUWUJBMPJX-VXGBXAGGSA-N 2 2 349.395 -1.289 20 0 EAADLP C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538409 668551224 /nfs/dbraw/zinc/55/12/24/668551224.db2.gz GEZNGAQZYHUWJB-GFCCVEGCSA-N 2 2 334.380 -1.032 20 0 EAADLP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538409 668551218 /nfs/dbraw/zinc/55/12/18/668551218.db2.gz GEZNGAQZYHUWJB-GFCCVEGCSA-N 2 2 334.380 -1.032 20 0 EAADLP C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538410 668550981 /nfs/dbraw/zinc/55/09/81/668550981.db2.gz GEZNGAQZYHUWJB-LBPRGKRZSA-N 2 2 334.380 -1.032 20 0 EAADLP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538410 668550978 /nfs/dbraw/zinc/55/09/78/668550978.db2.gz GEZNGAQZYHUWJB-LBPRGKRZSA-N 2 2 334.380 -1.032 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)C1 ZINC000980892918 668572835 /nfs/dbraw/zinc/57/28/35/668572835.db2.gz ASEQSRKXLCSMRA-AWEZNQCLSA-N 2 2 339.440 -1.124 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)C1 ZINC000980892918 668572830 /nfs/dbraw/zinc/57/28/30/668572830.db2.gz ASEQSRKXLCSMRA-AWEZNQCLSA-N 2 2 339.440 -1.124 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC000980892918 668572825 /nfs/dbraw/zinc/57/28/25/668572825.db2.gz ASEQSRKXLCSMRA-AWEZNQCLSA-N 2 2 339.440 -1.124 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC000980892918 668572821 /nfs/dbraw/zinc/57/28/21/668572821.db2.gz ASEQSRKXLCSMRA-AWEZNQCLSA-N 2 2 339.440 -1.124 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)C1 ZINC000980892919 668573179 /nfs/dbraw/zinc/57/31/79/668573179.db2.gz ASEQSRKXLCSMRA-CQSZACIVSA-N 2 2 339.440 -1.124 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)C1 ZINC000980892919 668573178 /nfs/dbraw/zinc/57/31/78/668573178.db2.gz ASEQSRKXLCSMRA-CQSZACIVSA-N 2 2 339.440 -1.124 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC000980892919 668573177 /nfs/dbraw/zinc/57/31/77/668573177.db2.gz ASEQSRKXLCSMRA-CQSZACIVSA-N 2 2 339.440 -1.124 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC000980892919 668573176 /nfs/dbraw/zinc/57/31/76/668573176.db2.gz ASEQSRKXLCSMRA-CQSZACIVSA-N 2 2 339.440 -1.124 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)O1 ZINC000984012564 668846637 /nfs/dbraw/zinc/84/66/37/668846637.db2.gz HISPDNRRLBNSSU-FDYHWXHSSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)O1 ZINC000984012564 668846634 /nfs/dbraw/zinc/84/66/34/668846634.db2.gz HISPDNRRLBNSSU-FDYHWXHSSA-N 2 2 337.428 -1.086 20 0 EAADLP 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CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC000985144247 668942008 /nfs/dbraw/zinc/94/20/08/668942008.db2.gz YDQPZYFMHJZCPL-JHJVBQTASA-N 2 2 337.428 -1.085 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067064 669022259 /nfs/dbraw/zinc/02/22/59/669022259.db2.gz LTBXUEDTOISBLW-AAEUAGOBSA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067068 669022490 /nfs/dbraw/zinc/02/24/90/669022490.db2.gz LTBXUEDTOISBLW-DGCLKSJQSA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@H]1[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067072 669022419 /nfs/dbraw/zinc/02/24/19/669022419.db2.gz LTBXUEDTOISBLW-WCQYABFASA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067082 669022362 /nfs/dbraw/zinc/02/23/62/669022362.db2.gz LTBXUEDTOISBLW-YPMHNXCESA-N 2 2 348.407 -1.510 20 0 EAADLP 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C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491244 669172081 /nfs/dbraw/zinc/17/20/81/669172081.db2.gz FKALHQATPDZIBH-WCQYABFASA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491245 669172141 /nfs/dbraw/zinc/17/21/41/669172141.db2.gz FKALHQATPDZIBH-YPMHNXCESA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613247 669179187 /nfs/dbraw/zinc/17/91/87/669179187.db2.gz RAZXXXOMNSRHAW-NEPJUHHUSA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613248 669179347 /nfs/dbraw/zinc/17/93/47/669179347.db2.gz RAZXXXOMNSRHAW-NWDGAFQWSA-N 2 2 348.407 -1.510 20 0 EAADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613249 669178929 /nfs/dbraw/zinc/17/89/29/669178929.db2.gz RAZXXXOMNSRHAW-RYUDHWBXSA-N 2 2 348.407 -1.510 20 0 EAADLP 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Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993629905 669886075 /nfs/dbraw/zinc/88/60/75/669886075.db2.gz DNETWUVZCZGWCA-QJPTWQEYSA-N 2 2 348.407 -1.732 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993630483 669886051 /nfs/dbraw/zinc/88/60/51/669886051.db2.gz GZXAZEOVZPHRAI-VXGBXAGGSA-N 2 2 348.407 -1.588 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)O1 ZINC000994850989 668989583 /nfs/dbraw/zinc/98/95/83/668989583.db2.gz QWAMPOPLEXJCFO-BNOWGMLFSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)O1 ZINC000994850989 668989581 /nfs/dbraw/zinc/98/95/81/668989581.db2.gz QWAMPOPLEXJCFO-BNOWGMLFSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC000994850989 668989579 /nfs/dbraw/zinc/98/95/79/668989579.db2.gz QWAMPOPLEXJCFO-BNOWGMLFSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC000994850989 668989576 /nfs/dbraw/zinc/98/95/76/668989576.db2.gz QWAMPOPLEXJCFO-BNOWGMLFSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)O1 ZINC000994850995 668989545 /nfs/dbraw/zinc/98/95/45/668989545.db2.gz QWAMPOPLEXJCFO-MRVWCRGKSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)O1 ZINC000994850995 668989544 /nfs/dbraw/zinc/98/95/44/668989544.db2.gz QWAMPOPLEXJCFO-MRVWCRGKSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC000994850995 668989543 /nfs/dbraw/zinc/98/95/43/668989543.db2.gz QWAMPOPLEXJCFO-MRVWCRGKSA-N 2 2 340.424 -1.637 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC000994850995 668989541 /nfs/dbraw/zinc/98/95/41/668989541.db2.gz QWAMPOPLEXJCFO-MRVWCRGKSA-N 2 2 340.424 -1.637 20 0 EAADLP O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)N1CCNC(=O)C1 ZINC000997042441 669785786 /nfs/dbraw/zinc/78/57/86/669785786.db2.gz POKJDDOYJFHIJY-UHFFFAOYSA-N 2 2 348.407 -1.509 20 0 EAADLP O=C(C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)N1CCNC(=O)C1 ZINC000997127755 669792575 /nfs/dbraw/zinc/79/25/75/669792575.db2.gz SLACYYVTUYCWNF-UHFFFAOYSA-N 2 2 348.407 -1.509 20 0 EAADLP O=C(C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)N1CCNC(=O)C1 ZINC000997412574 669825401 /nfs/dbraw/zinc/82/54/01/669825401.db2.gz GFWJAXVCHPOKKV-UHFFFAOYSA-N 2 2 348.407 -1.578 20 0 EAADLP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997646279 669847880 /nfs/dbraw/zinc/84/78/80/669847880.db2.gz VRJCRIQTWCDLIE-CYBMUJFWSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997646279 669847874 /nfs/dbraw/zinc/84/78/74/669847874.db2.gz VRJCRIQTWCDLIE-CYBMUJFWSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997646280 669847721 /nfs/dbraw/zinc/84/77/21/669847721.db2.gz VRJCRIQTWCDLIE-ZDUSSCGKSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997646280 669847719 /nfs/dbraw/zinc/84/77/19/669847719.db2.gz VRJCRIQTWCDLIE-ZDUSSCGKSA-N 2 2 337.428 -1.131 20 0 EAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998587499 669903624 /nfs/dbraw/zinc/90/36/24/669903624.db2.gz VWAKMFCTJLMTHR-HTAVTVPLSA-N 2 2 338.412 -1.482 20 0 EAADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998587499 669903620 /nfs/dbraw/zinc/90/36/20/669903620.db2.gz VWAKMFCTJLMTHR-HTAVTVPLSA-N 2 2 338.412 -1.482 20 0 EAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998587505 669903953 /nfs/dbraw/zinc/90/39/53/669903953.db2.gz VWAKMFCTJLMTHR-MCIGGMRASA-N 2 2 338.412 -1.482 20 0 EAADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998587505 669903950 /nfs/dbraw/zinc/90/39/50/669903950.db2.gz VWAKMFCTJLMTHR-MCIGGMRASA-N 2 2 338.412 -1.482 20 0 EAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC000998821091 669913962 /nfs/dbraw/zinc/91/39/62/669913962.db2.gz BSYJAHGMHHOFCN-NEPJUHHUSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC000998821091 669913959 /nfs/dbraw/zinc/91/39/59/669913959.db2.gz BSYJAHGMHHOFCN-NEPJUHHUSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC000998821097 669914228 /nfs/dbraw/zinc/91/42/28/669914228.db2.gz BSYJAHGMHHOFCN-NWDGAFQWSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC000998821097 669914226 /nfs/dbraw/zinc/91/42/26/669914226.db2.gz BSYJAHGMHHOFCN-NWDGAFQWSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC000998821100 669914129 /nfs/dbraw/zinc/91/41/29/669914129.db2.gz BSYJAHGMHHOFCN-RYUDHWBXSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC000998821100 669914127 /nfs/dbraw/zinc/91/41/27/669914127.db2.gz BSYJAHGMHHOFCN-RYUDHWBXSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC000998821104 669913891 /nfs/dbraw/zinc/91/38/91/669913891.db2.gz BSYJAHGMHHOFCN-VXGBXAGGSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC000998821104 669913887 /nfs/dbraw/zinc/91/38/87/669913887.db2.gz BSYJAHGMHHOFCN-VXGBXAGGSA-N 2 2 338.412 -1.480 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000999470785 669933233 /nfs/dbraw/zinc/93/32/33/669933233.db2.gz WLVOTFFPGOXPGW-UHFFFAOYSA-N 2 2 348.407 -1.510 20 0 EAADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000999605747 669935026 /nfs/dbraw/zinc/93/50/26/669935026.db2.gz OIMRDKZYBQPHDH-UHFFFAOYSA-N 2 2 348.407 -1.510 20 0 EAADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000999917865 668914407 /nfs/dbraw/zinc/91/44/07/668914407.db2.gz YDKCZIUPWOIHJM-UHFFFAOYSA-N 2 2 348.407 -1.580 20 0 EAADLP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999961718 668921629 /nfs/dbraw/zinc/92/16/29/668921629.db2.gz JFEZEKKSWYSSPE-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961718 668921626 /nfs/dbraw/zinc/92/16/26/668921626.db2.gz JFEZEKKSWYSSPE-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961718 668921624 /nfs/dbraw/zinc/92/16/24/668921624.db2.gz JFEZEKKSWYSSPE-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961718 668921620 /nfs/dbraw/zinc/92/16/20/668921620.db2.gz JFEZEKKSWYSSPE-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999961719 668921223 /nfs/dbraw/zinc/92/12/23/668921223.db2.gz JFEZEKKSWYSSPE-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961719 668921220 /nfs/dbraw/zinc/92/12/20/668921220.db2.gz JFEZEKKSWYSSPE-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961719 668921211 /nfs/dbraw/zinc/92/12/11/668921211.db2.gz JFEZEKKSWYSSPE-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961719 668921207 /nfs/dbraw/zinc/92/12/07/668921207.db2.gz JFEZEKKSWYSSPE-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999961720 668921342 /nfs/dbraw/zinc/92/13/42/668921342.db2.gz JFEZEKKSWYSSPE-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961720 668921340 /nfs/dbraw/zinc/92/13/40/668921340.db2.gz JFEZEKKSWYSSPE-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961720 668921336 /nfs/dbraw/zinc/92/13/36/668921336.db2.gz JFEZEKKSWYSSPE-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961720 668921333 /nfs/dbraw/zinc/92/13/33/668921333.db2.gz JFEZEKKSWYSSPE-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999961721 668921442 /nfs/dbraw/zinc/92/14/42/668921442.db2.gz JFEZEKKSWYSSPE-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961721 668921439 /nfs/dbraw/zinc/92/14/39/668921439.db2.gz JFEZEKKSWYSSPE-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961721 668921434 /nfs/dbraw/zinc/92/14/34/668921434.db2.gz JFEZEKKSWYSSPE-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961721 668921431 /nfs/dbraw/zinc/92/14/31/668921431.db2.gz JFEZEKKSWYSSPE-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC000999963870 668921575 /nfs/dbraw/zinc/92/15/75/668921575.db2.gz UNLQIYSDUDOYLK-CHWSQXEVSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC000999963870 668921574 /nfs/dbraw/zinc/92/15/74/668921574.db2.gz UNLQIYSDUDOYLK-CHWSQXEVSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963870 668921573 /nfs/dbraw/zinc/92/15/73/668921573.db2.gz UNLQIYSDUDOYLK-CHWSQXEVSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963870 668921572 /nfs/dbraw/zinc/92/15/72/668921572.db2.gz UNLQIYSDUDOYLK-CHWSQXEVSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC000999963871 668921097 /nfs/dbraw/zinc/92/10/97/668921097.db2.gz UNLQIYSDUDOYLK-OLZOCXBDSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC000999963871 668921094 /nfs/dbraw/zinc/92/10/94/668921094.db2.gz UNLQIYSDUDOYLK-OLZOCXBDSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963871 668921084 /nfs/dbraw/zinc/92/10/84/668921084.db2.gz UNLQIYSDUDOYLK-OLZOCXBDSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963871 668921079 /nfs/dbraw/zinc/92/10/79/668921079.db2.gz UNLQIYSDUDOYLK-OLZOCXBDSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC000999963872 668921140 /nfs/dbraw/zinc/92/11/40/668921140.db2.gz UNLQIYSDUDOYLK-QWHCGFSZSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC000999963872 668921135 /nfs/dbraw/zinc/92/11/35/668921135.db2.gz UNLQIYSDUDOYLK-QWHCGFSZSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963872 668921132 /nfs/dbraw/zinc/92/11/32/668921132.db2.gz UNLQIYSDUDOYLK-QWHCGFSZSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963872 668921127 /nfs/dbraw/zinc/92/11/27/668921127.db2.gz UNLQIYSDUDOYLK-QWHCGFSZSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC000999963873 668921599 /nfs/dbraw/zinc/92/15/99/668921599.db2.gz UNLQIYSDUDOYLK-STQMWFEESA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC000999963873 668921597 /nfs/dbraw/zinc/92/15/97/668921597.db2.gz UNLQIYSDUDOYLK-STQMWFEESA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963873 668921593 /nfs/dbraw/zinc/92/15/93/668921593.db2.gz UNLQIYSDUDOYLK-STQMWFEESA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC(N)=O)C2)nn1 ZINC000999963873 668921590 /nfs/dbraw/zinc/92/15/90/668921590.db2.gz UNLQIYSDUDOYLK-STQMWFEESA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)C1 ZINC000999974829 668917296 /nfs/dbraw/zinc/91/72/96/668917296.db2.gz MZXVNGPETFAWOY-KBPBESRZSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)C1 ZINC000999974829 668917293 /nfs/dbraw/zinc/91/72/93/668917293.db2.gz MZXVNGPETFAWOY-KBPBESRZSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974829 668917292 /nfs/dbraw/zinc/91/72/92/668917292.db2.gz MZXVNGPETFAWOY-KBPBESRZSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974829 668917289 /nfs/dbraw/zinc/91/72/89/668917289.db2.gz MZXVNGPETFAWOY-KBPBESRZSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)C1 ZINC000999974830 668917273 /nfs/dbraw/zinc/91/72/73/668917273.db2.gz MZXVNGPETFAWOY-KGLIPLIRSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)C1 ZINC000999974830 668917270 /nfs/dbraw/zinc/91/72/70/668917270.db2.gz MZXVNGPETFAWOY-KGLIPLIRSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974830 668917266 /nfs/dbraw/zinc/91/72/66/668917266.db2.gz MZXVNGPETFAWOY-KGLIPLIRSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974830 668917261 /nfs/dbraw/zinc/91/72/61/668917261.db2.gz MZXVNGPETFAWOY-KGLIPLIRSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)C1 ZINC000999974831 668917571 /nfs/dbraw/zinc/91/75/71/668917571.db2.gz MZXVNGPETFAWOY-UONOGXRCSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)C1 ZINC000999974831 668917568 /nfs/dbraw/zinc/91/75/68/668917568.db2.gz MZXVNGPETFAWOY-UONOGXRCSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974831 668917563 /nfs/dbraw/zinc/91/75/63/668917563.db2.gz MZXVNGPETFAWOY-UONOGXRCSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974831 668917558 /nfs/dbraw/zinc/91/75/58/668917558.db2.gz MZXVNGPETFAWOY-UONOGXRCSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)C1 ZINC000999974834 668917234 /nfs/dbraw/zinc/91/72/34/668917234.db2.gz MZXVNGPETFAWOY-ZIAGYGMSSA-N 2 2 338.412 -1.536 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)C1 ZINC000999974834 668917230 /nfs/dbraw/zinc/91/72/30/668917230.db2.gz MZXVNGPETFAWOY-ZIAGYGMSSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974834 668917227 /nfs/dbraw/zinc/91/72/27/668917227.db2.gz MZXVNGPETFAWOY-ZIAGYGMSSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)C1 ZINC000999974834 668917223 /nfs/dbraw/zinc/91/72/23/668917223.db2.gz MZXVNGPETFAWOY-ZIAGYGMSSA-N 2 2 338.412 -1.536 20 0 EAADLP O=C(C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)N1CCNC(=O)C1 ZINC001000324666 672452394 /nfs/dbraw/zinc/45/23/94/672452394.db2.gz OJGYDDYGUNGFFM-GFCCVEGCSA-N 2 2 348.407 -1.509 20 0 EAADLP O=C(C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)N1CCNC(=O)C1 ZINC001000324667 672452444 /nfs/dbraw/zinc/45/24/44/672452444.db2.gz OJGYDDYGUNGFFM-LBPRGKRZSA-N 2 2 348.407 -1.509 20 0 EAADLP O=C(C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)N1CCNC(=O)C1 ZINC001000541951 672464579 /nfs/dbraw/zinc/46/45/79/672464579.db2.gz LGKQWYLYIGQBLQ-GFCCVEGCSA-N 2 2 348.407 -1.509 20 0 EAADLP O=C(C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)N1CCNC(=O)C1 ZINC001000541952 672464719 /nfs/dbraw/zinc/46/47/19/672464719.db2.gz LGKQWYLYIGQBLQ-LBPRGKRZSA-N 2 2 348.407 -1.509 20 0 EAADLP O=C(C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)N1CCNC(=O)C1 ZINC001001056168 672525175 /nfs/dbraw/zinc/52/51/75/672525175.db2.gz PHWQEILJOXXYJT-CYBMUJFWSA-N 2 2 348.407 -1.578 20 0 EAADLP O=C(C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)N1CCNC(=O)C1 ZINC001001056172 672525144 /nfs/dbraw/zinc/52/51/44/672525144.db2.gz PHWQEILJOXXYJT-ZDUSSCGKSA-N 2 2 348.407 -1.578 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532025 669017525 /nfs/dbraw/zinc/01/75/25/669017525.db2.gz FTTGXGZONNTJHY-CHWSQXEVSA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532025 669017522 /nfs/dbraw/zinc/01/75/22/669017522.db2.gz FTTGXGZONNTJHY-CHWSQXEVSA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532026 669017385 /nfs/dbraw/zinc/01/73/85/669017385.db2.gz FTTGXGZONNTJHY-OLZOCXBDSA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532026 669017379 /nfs/dbraw/zinc/01/73/79/669017379.db2.gz FTTGXGZONNTJHY-OLZOCXBDSA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532027 669017312 /nfs/dbraw/zinc/01/73/12/669017312.db2.gz FTTGXGZONNTJHY-QWHCGFSZSA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532027 669017305 /nfs/dbraw/zinc/01/73/05/669017305.db2.gz FTTGXGZONNTJHY-QWHCGFSZSA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532028 669017488 /nfs/dbraw/zinc/01/74/88/669017488.db2.gz FTTGXGZONNTJHY-STQMWFEESA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002532028 669017481 /nfs/dbraw/zinc/01/74/81/669017481.db2.gz FTTGXGZONNTJHY-STQMWFEESA-N 2 2 338.408 -1.297 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001002536681 669017880 /nfs/dbraw/zinc/01/78/80/669017880.db2.gz VICJIPYFWAMCDT-AWEZNQCLSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001002536681 669017876 /nfs/dbraw/zinc/01/78/76/669017876.db2.gz VICJIPYFWAMCDT-AWEZNQCLSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001002536684 669017912 /nfs/dbraw/zinc/01/79/12/669017912.db2.gz VICJIPYFWAMCDT-CQSZACIVSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001002536684 669017908 /nfs/dbraw/zinc/01/79/08/669017908.db2.gz VICJIPYFWAMCDT-CQSZACIVSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994923 672460226 /nfs/dbraw/zinc/46/02/26/672460226.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994923 672460224 /nfs/dbraw/zinc/46/02/24/672460224.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994923 672460223 /nfs/dbraw/zinc/46/02/23/672460223.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994923 672460220 /nfs/dbraw/zinc/46/02/20/672460220.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994926 672460202 /nfs/dbraw/zinc/46/02/02/672460202.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994926 672460199 /nfs/dbraw/zinc/46/01/99/672460199.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994926 672460196 /nfs/dbraw/zinc/46/01/96/672460196.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994926 672460194 /nfs/dbraw/zinc/46/01/94/672460194.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994929 672460181 /nfs/dbraw/zinc/46/01/81/672460181.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994929 672460179 /nfs/dbraw/zinc/46/01/79/672460179.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994929 672460178 /nfs/dbraw/zinc/46/01/78/672460178.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994929 672460175 /nfs/dbraw/zinc/46/01/75/672460175.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994930 672460127 /nfs/dbraw/zinc/46/01/27/672460127.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994930 672460124 /nfs/dbraw/zinc/46/01/24/672460124.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994930 672460123 /nfs/dbraw/zinc/46/01/23/672460123.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001006994930 672460122 /nfs/dbraw/zinc/46/01/22/672460122.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 2 339.440 -1.077 20 0 EAADLP Cn1c(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001010385370 672605676 /nfs/dbraw/zinc/60/56/76/672605676.db2.gz RHNHPHPXEQCLFV-GXTWGEPZSA-N 2 2 349.435 -1.131 20 0 EAADLP Cn1c(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O 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Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001020406447 668076501 /nfs/dbraw/zinc/07/65/01/668076501.db2.gz VIZKYYBTCGYZLA-BTWPUCDJSA-N 2 2 347.423 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001020406447 668076497 /nfs/dbraw/zinc/07/64/97/668076497.db2.gz VIZKYYBTCGYZLA-BTWPUCDJSA-N 2 2 347.423 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001020406448 668076411 /nfs/dbraw/zinc/07/64/11/668076411.db2.gz VIZKYYBTCGYZLA-VECWZWDRSA-N 2 2 347.423 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001020406448 668076408 /nfs/dbraw/zinc/07/64/08/668076408.db2.gz VIZKYYBTCGYZLA-VECWZWDRSA-N 2 2 347.423 -1.190 20 0 EAADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001020421300 668079924 /nfs/dbraw/zinc/07/99/24/668079924.db2.gz KYLNNMBKMGFUIE-SYQHCUMBSA-N 2 2 340.424 -1.412 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020635196 668167429 /nfs/dbraw/zinc/16/74/29/668167429.db2.gz JUSOSUKOJZKWNU-XYPYZODXSA-N 2 2 334.380 -1.853 20 0 EAADLP Cn1c(=O)cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n(C)c1=O ZINC001020635287 668167476 /nfs/dbraw/zinc/16/74/76/668167476.db2.gz OZNWQTVUHGPDDU-XYPYZODXSA-N 2 2 346.391 -1.213 20 0 EAADLP Cn1c(=O)cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n(C)c1=O ZINC001020818676 668196279 /nfs/dbraw/zinc/19/62/79/668196279.db2.gz XQPTVHNPJHHPDU-XYPYZODXSA-N 2 2 346.391 -1.213 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020821100 668196597 /nfs/dbraw/zinc/19/65/97/668196597.db2.gz LQPBYWXKYZWZLC-XYPYZODXSA-N 2 2 334.380 -1.853 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020930423 668203289 /nfs/dbraw/zinc/20/32/89/668203289.db2.gz SFYSYCODLLLVGS-HAQNSBGRSA-N 2 2 348.407 -1.842 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020930537 668203500 /nfs/dbraw/zinc/20/35/00/668203500.db2.gz WVPOFWGYZUFLLP-XYPYZODXSA-N 2 2 334.380 -1.249 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020980251 668205935 /nfs/dbraw/zinc/20/59/35/668205935.db2.gz BEMVNUFILXSBNQ-HAQNSBGRSA-N 2 2 348.407 -1.544 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001021080678 668228316 /nfs/dbraw/zinc/22/83/16/668228316.db2.gz OULMYHOXBLWJQO-IJLUTSLNSA-N 2 2 338.412 -1.434 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001021080678 668228314 /nfs/dbraw/zinc/22/83/14/668228314.db2.gz OULMYHOXBLWJQO-IJLUTSLNSA-N 2 2 338.412 -1.434 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001021080679 668228278 /nfs/dbraw/zinc/22/82/78/668228278.db2.gz OULMYHOXBLWJQO-SRVKXCTJSA-N 2 2 338.412 -1.434 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001021080679 668228274 /nfs/dbraw/zinc/22/82/74/668228274.db2.gz OULMYHOXBLWJQO-SRVKXCTJSA-N 2 2 338.412 -1.434 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021125925 668231581 /nfs/dbraw/zinc/23/15/81/668231581.db2.gz AEDYRYRKHQJDRW-HAQNSBGRSA-N 2 2 334.380 -1.922 20 0 EAADLP Cn1c(=O)cc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n(C)c1=O ZINC001021129530 668234935 /nfs/dbraw/zinc/23/49/35/668234935.db2.gz DVLODCVAEAKITE-HAQNSBGRSA-N 2 2 346.391 -1.283 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001022120873 668346197 /nfs/dbraw/zinc/34/61/97/668346197.db2.gz SMXYZJNMOLJVCR-QNWHQSFQSA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001022120873 668346190 /nfs/dbraw/zinc/34/61/90/668346190.db2.gz SMXYZJNMOLJVCR-QNWHQSFQSA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001022120875 668346437 /nfs/dbraw/zinc/34/64/37/668346437.db2.gz SMXYZJNMOLJVCR-RNJOBUHISA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001022120875 668346435 /nfs/dbraw/zinc/34/64/35/668346435.db2.gz SMXYZJNMOLJVCR-RNJOBUHISA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001022120876 668346281 /nfs/dbraw/zinc/34/62/81/668346281.db2.gz SMXYZJNMOLJVCR-XQHKEYJVSA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001022120876 668346277 /nfs/dbraw/zinc/34/62/77/668346277.db2.gz SMXYZJNMOLJVCR-XQHKEYJVSA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001022120877 668346219 /nfs/dbraw/zinc/34/62/19/668346219.db2.gz SMXYZJNMOLJVCR-YVECIDJPSA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001022120877 668346214 /nfs/dbraw/zinc/34/62/14/668346214.db2.gz SMXYZJNMOLJVCR-YVECIDJPSA-N 2 2 335.412 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001022452983 668365278 /nfs/dbraw/zinc/36/52/78/668365278.db2.gz VIZKYYBTCGYZLA-AQCKVWFBSA-N 2 2 347.423 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001022452983 668365273 /nfs/dbraw/zinc/36/52/73/668365273.db2.gz VIZKYYBTCGYZLA-AQCKVWFBSA-N 2 2 347.423 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001022452984 668365501 /nfs/dbraw/zinc/36/55/01/668365501.db2.gz VIZKYYBTCGYZLA-RFVMBOSQSA-N 2 2 347.423 -1.190 20 0 EAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001022452984 668365497 /nfs/dbraw/zinc/36/54/97/668365497.db2.gz VIZKYYBTCGYZLA-RFVMBOSQSA-N 2 2 347.423 -1.190 20 0 EAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001022473160 668366230 /nfs/dbraw/zinc/36/62/30/668366230.db2.gz KYLNNMBKMGFUIE-RQJABVFESA-N 2 2 340.424 -1.412 20 0 EAADLP Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n(C)c1=O ZINC001022775336 668393751 /nfs/dbraw/zinc/39/37/51/668393751.db2.gz OZNWQTVUHGPDDU-PHIMTYICSA-N 2 2 346.391 -1.213 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022775864 668394419 /nfs/dbraw/zinc/39/44/19/668394419.db2.gz JUSOSUKOJZKWNU-PHIMTYICSA-N 2 2 334.380 -1.853 20 0 EAADLP Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n(C)c1=O ZINC001022887039 668410362 /nfs/dbraw/zinc/41/03/62/668410362.db2.gz XQPTVHNPJHHPDU-PHIMTYICSA-N 2 2 346.391 -1.213 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022889506 668410807 /nfs/dbraw/zinc/41/08/07/668410807.db2.gz LQPBYWXKYZWZLC-PHIMTYICSA-N 2 2 334.380 -1.853 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022978166 668421515 /nfs/dbraw/zinc/42/15/15/668421515.db2.gz SFYSYCODLLLVGS-TXEJJXNPSA-N 2 2 348.407 -1.842 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022978254 668421368 /nfs/dbraw/zinc/42/13/68/668421368.db2.gz WVPOFWGYZUFLLP-PHIMTYICSA-N 2 2 334.380 -1.249 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023024612 668433589 /nfs/dbraw/zinc/43/35/89/668433589.db2.gz BEMVNUFILXSBNQ-TXEJJXNPSA-N 2 2 348.407 -1.544 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023158627 668460159 /nfs/dbraw/zinc/46/01/59/668460159.db2.gz AEDYRYRKHQJDRW-TXEJJXNPSA-N 2 2 334.380 -1.922 20 0 EAADLP Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n(C)c1=O ZINC001023160836 668460996 /nfs/dbraw/zinc/46/09/96/668460996.db2.gz DVLODCVAEAKITE-TXEJJXNPSA-N 2 2 346.391 -1.283 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023212781 668472700 /nfs/dbraw/zinc/47/27/00/668472700.db2.gz QFXYAOHJZGLSAT-HZSPNIEDSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023212781 668472697 /nfs/dbraw/zinc/47/26/97/668472697.db2.gz QFXYAOHJZGLSAT-HZSPNIEDSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023212782 668472437 /nfs/dbraw/zinc/47/24/37/668472437.db2.gz QFXYAOHJZGLSAT-MGPQQGTHSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023212782 668472433 /nfs/dbraw/zinc/47/24/33/668472433.db2.gz QFXYAOHJZGLSAT-MGPQQGTHSA-N 2 2 335.408 -1.255 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023216088 668473044 /nfs/dbraw/zinc/47/30/44/668473044.db2.gz BVHLVHDVWNFDDV-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023216088 668473041 /nfs/dbraw/zinc/47/30/41/668473041.db2.gz BVHLVHDVWNFDDV-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023216090 668473013 /nfs/dbraw/zinc/47/30/13/668473013.db2.gz BVHLVHDVWNFDDV-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023216090 668473010 /nfs/dbraw/zinc/47/30/10/668473010.db2.gz BVHLVHDVWNFDDV-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023216676 668473594 /nfs/dbraw/zinc/47/35/94/668473594.db2.gz KUPYPPCNPSZFEW-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023216677 668473529 /nfs/dbraw/zinc/47/35/29/668473529.db2.gz KUPYPPCNPSZFEW-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023283504 668486393 /nfs/dbraw/zinc/48/63/93/668486393.db2.gz SRUKJNBYUKAOBO-MCIONIFRSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023283504 668486389 /nfs/dbraw/zinc/48/63/89/668486389.db2.gz SRUKJNBYUKAOBO-MCIONIFRSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023283505 668486162 /nfs/dbraw/zinc/48/61/62/668486162.db2.gz SRUKJNBYUKAOBO-MGPQQGTHSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023283505 668486159 /nfs/dbraw/zinc/48/61/59/668486159.db2.gz SRUKJNBYUKAOBO-MGPQQGTHSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023782320 668571182 /nfs/dbraw/zinc/57/11/82/668571182.db2.gz KMBCIEYQPXLTIK-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023782320 668571178 /nfs/dbraw/zinc/57/11/78/668571178.db2.gz KMBCIEYQPXLTIK-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023782321 668571319 /nfs/dbraw/zinc/57/13/19/668571319.db2.gz KMBCIEYQPXLTIK-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023782321 668571315 /nfs/dbraw/zinc/57/13/15/668571315.db2.gz KMBCIEYQPXLTIK-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023782833 668571792 /nfs/dbraw/zinc/57/17/92/668571792.db2.gz BAEZPOMHLZOOGO-IACUBPJLSA-N 2 2 335.408 -1.100 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023782833 668571790 /nfs/dbraw/zinc/57/17/90/668571790.db2.gz BAEZPOMHLZOOGO-IACUBPJLSA-N 2 2 335.408 -1.100 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023782835 668571717 /nfs/dbraw/zinc/57/17/17/668571717.db2.gz BAEZPOMHLZOOGO-MRVWCRGKSA-N 2 2 335.408 -1.100 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023782835 668571714 /nfs/dbraw/zinc/57/17/14/668571714.db2.gz BAEZPOMHLZOOGO-MRVWCRGKSA-N 2 2 335.408 -1.100 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023783258 668572446 /nfs/dbraw/zinc/57/24/46/668572446.db2.gz GDIVIGIFPINMDC-BFHYXJOUSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783258 668572442 /nfs/dbraw/zinc/57/24/42/668572442.db2.gz GDIVIGIFPINMDC-BFHYXJOUSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023783260 668572203 /nfs/dbraw/zinc/57/22/03/668572203.db2.gz GDIVIGIFPINMDC-MGPQQGTHSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783260 668572202 /nfs/dbraw/zinc/57/22/02/668572202.db2.gz GDIVIGIFPINMDC-MGPQQGTHSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023783882 668572537 /nfs/dbraw/zinc/57/25/37/668572537.db2.gz OTBUGIUKFCAUBE-IACUBPJLSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783882 668572534 /nfs/dbraw/zinc/57/25/34/668572534.db2.gz OTBUGIUKFCAUBE-IACUBPJLSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023783884 668572314 /nfs/dbraw/zinc/57/23/14/668572314.db2.gz OTBUGIUKFCAUBE-MRVWCRGKSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783884 668572312 /nfs/dbraw/zinc/57/23/12/668572312.db2.gz OTBUGIUKFCAUBE-MRVWCRGKSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023783925 668572356 /nfs/dbraw/zinc/57/23/56/668572356.db2.gz PGLAJVWVLLXYPT-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783925 668572354 /nfs/dbraw/zinc/57/23/54/668572354.db2.gz PGLAJVWVLLXYPT-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023783927 668572298 /nfs/dbraw/zinc/57/22/98/668572298.db2.gz PGLAJVWVLLXYPT-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783927 668572295 /nfs/dbraw/zinc/57/22/95/668572295.db2.gz PGLAJVWVLLXYPT-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023786896 668573478 /nfs/dbraw/zinc/57/34/78/668573478.db2.gz CNECKUOMHQRFHI-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023786896 668573477 /nfs/dbraw/zinc/57/34/77/668573477.db2.gz CNECKUOMHQRFHI-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023786897 668573412 /nfs/dbraw/zinc/57/34/12/668573412.db2.gz CNECKUOMHQRFHI-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023786897 668573411 /nfs/dbraw/zinc/57/34/11/668573411.db2.gz CNECKUOMHQRFHI-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001023788807 668574528 /nfs/dbraw/zinc/57/45/28/668574528.db2.gz YWGDWNMLOUBISL-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001023788807 668574527 /nfs/dbraw/zinc/57/45/27/668574527.db2.gz YWGDWNMLOUBISL-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001023788807 668574523 /nfs/dbraw/zinc/57/45/23/668574523.db2.gz YWGDWNMLOUBISL-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001023788807 668574521 /nfs/dbraw/zinc/57/45/21/668574521.db2.gz YWGDWNMLOUBISL-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001023788809 668574467 /nfs/dbraw/zinc/57/44/67/668574467.db2.gz YWGDWNMLOUBISL-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001023788809 668574465 /nfs/dbraw/zinc/57/44/65/668574465.db2.gz YWGDWNMLOUBISL-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001023788809 668574464 /nfs/dbraw/zinc/57/44/64/668574464.db2.gz YWGDWNMLOUBISL-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001023788809 668574463 /nfs/dbraw/zinc/57/44/63/668574463.db2.gz YWGDWNMLOUBISL-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793378 668575758 /nfs/dbraw/zinc/57/57/58/668575758.db2.gz FJNKNSDIASJDSA-ZIAGYGMSSA-N 2 2 335.408 -1.254 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793381 668575878 /nfs/dbraw/zinc/57/58/78/668575878.db2.gz FMMUODZGQOCJIA-MCIONIFRSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793381 668575877 /nfs/dbraw/zinc/57/58/77/668575877.db2.gz FMMUODZGQOCJIA-MCIONIFRSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793382 668575560 /nfs/dbraw/zinc/57/55/60/668575560.db2.gz FMMUODZGQOCJIA-MGPQQGTHSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793382 668575556 /nfs/dbraw/zinc/57/55/56/668575556.db2.gz FMMUODZGQOCJIA-MGPQQGTHSA-N 2 2 340.424 -1.899 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795593 668576364 /nfs/dbraw/zinc/57/63/64/668576364.db2.gz JKYIOAMPXJTQSU-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795690 668576070 /nfs/dbraw/zinc/57/60/70/668576070.db2.gz NYYZJKMYBDSNIH-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1O ZINC001023801568 668577399 /nfs/dbraw/zinc/57/73/99/668577399.db2.gz WWGIQHVIVGTMRQ-ZIAGYGMSSA-N 2 2 346.391 -1.144 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001023803157 668577461 /nfs/dbraw/zinc/57/74/61/668577461.db2.gz JIRQEXZKCGFFAE-CHWSQXEVSA-N 2 2 332.364 -1.224 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023861513 668585290 /nfs/dbraw/zinc/58/52/90/668585290.db2.gz DCGRPGZRENTEDC-RBSFLKMASA-N 2 2 347.419 -1.087 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023861514 668585299 /nfs/dbraw/zinc/58/52/99/668585299.db2.gz DCGRPGZRENTEDC-RRFJBIMHSA-N 2 2 347.419 -1.087 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023861812 668585654 /nfs/dbraw/zinc/58/56/54/668585654.db2.gz HFYNUJGPOMFQJF-BFHYXJOUSA-N 2 2 347.419 -1.018 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023861813 668585701 /nfs/dbraw/zinc/58/57/01/668585701.db2.gz HFYNUJGPOMFQJF-MGPQQGTHSA-N 2 2 347.419 -1.018 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023862172 668585783 /nfs/dbraw/zinc/58/57/83/668585783.db2.gz NFHZIYFOJSLJLQ-RBSFLKMASA-N 2 2 347.419 -1.018 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023862175 668585751 /nfs/dbraw/zinc/58/57/51/668585751.db2.gz NFHZIYFOJSLJLQ-RRFJBIMHSA-N 2 2 347.419 -1.018 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023909105 668592041 /nfs/dbraw/zinc/59/20/41/668592041.db2.gz YZNWJPUHOOWQHT-CHWSQXEVSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023909105 668592040 /nfs/dbraw/zinc/59/20/40/668592040.db2.gz YZNWJPUHOOWQHT-CHWSQXEVSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023909106 668592030 /nfs/dbraw/zinc/59/20/30/668592030.db2.gz YZNWJPUHOOWQHT-OLZOCXBDSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023909106 668592028 /nfs/dbraw/zinc/59/20/28/668592028.db2.gz YZNWJPUHOOWQHT-OLZOCXBDSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023909107 668591994 /nfs/dbraw/zinc/59/19/94/668591994.db2.gz YZNWJPUHOOWQHT-QWHCGFSZSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023909107 668591992 /nfs/dbraw/zinc/59/19/92/668591992.db2.gz YZNWJPUHOOWQHT-QWHCGFSZSA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023909108 668592484 /nfs/dbraw/zinc/59/24/84/668592484.db2.gz YZNWJPUHOOWQHT-STQMWFEESA-N 2 2 337.428 -1.131 20 0 EAADLP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023909108 668592483 /nfs/dbraw/zinc/59/24/83/668592483.db2.gz YZNWJPUHOOWQHT-STQMWFEESA-N 2 2 337.428 -1.131 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CC[N@H+]1C ZINC001023968487 668599251 /nfs/dbraw/zinc/59/92/51/668599251.db2.gz XROHTQDLJVUNPG-AAVRWANBSA-N 2 2 335.408 -1.089 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CC[N@@H+]1C ZINC001023968487 668599247 /nfs/dbraw/zinc/59/92/47/668599247.db2.gz XROHTQDLJVUNPG-AAVRWANBSA-N 2 2 335.408 -1.089 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001023970245 668599830 /nfs/dbraw/zinc/59/98/30/668599830.db2.gz HSPRZFKMFLJBIM-FMKGYKFTSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023970245 668599828 /nfs/dbraw/zinc/59/98/28/668599828.db2.gz HSPRZFKMFLJBIM-FMKGYKFTSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)CC[N@H+]1C ZINC001023971950 668599650 /nfs/dbraw/zinc/59/96/50/668599650.db2.gz BLHYWUDDGJWHEK-FDYHWXHSSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)CC[N@@H+]1C ZINC001023971950 668599645 /nfs/dbraw/zinc/59/96/45/668599645.db2.gz BLHYWUDDGJWHEK-FDYHWXHSSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)CC[N@H+]1C ZINC001023972190 668599789 /nfs/dbraw/zinc/59/97/89/668599789.db2.gz MNYFGHXCVYTBCT-NMFUWQPSSA-N 2 2 349.435 -1.009 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023972190 668599786 /nfs/dbraw/zinc/59/97/86/668599786.db2.gz MNYFGHXCVYTBCT-NMFUWQPSSA-N 2 2 349.435 -1.009 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024413264 668646808 /nfs/dbraw/zinc/64/68/08/668646808.db2.gz HATHRRHUGIQWSS-CHWSQXEVSA-N 2 2 333.392 -1.333 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024413814 668647326 /nfs/dbraw/zinc/64/73/26/668647326.db2.gz UPBDVFREVGZNRU-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024413814 668647321 /nfs/dbraw/zinc/64/73/21/668647321.db2.gz UPBDVFREVGZNRU-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024413815 668647449 /nfs/dbraw/zinc/64/74/49/668647449.db2.gz UPBDVFREVGZNRU-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024413815 668647446 /nfs/dbraw/zinc/64/74/46/668647446.db2.gz UPBDVFREVGZNRU-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001024414157 668643992 /nfs/dbraw/zinc/64/39/92/668643992.db2.gz JPNGLJAXJVENHT-RBSFLKMASA-N 2 2 347.419 -1.087 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001024414159 668644038 /nfs/dbraw/zinc/64/40/38/668644038.db2.gz JPNGLJAXJVENHT-RRFJBIMHSA-N 2 2 347.419 -1.087 20 0 EAADLP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001024414395 668643887 /nfs/dbraw/zinc/64/38/87/668643887.db2.gz LSZWBPNKYZRJFC-ZIAGYGMSSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024415901 668644750 /nfs/dbraw/zinc/64/47/50/668644750.db2.gz FWOHTNVKDJNYHQ-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024415901 668644748 /nfs/dbraw/zinc/64/47/48/668644748.db2.gz FWOHTNVKDJNYHQ-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024415903 668644497 /nfs/dbraw/zinc/64/44/97/668644497.db2.gz FWOHTNVKDJNYHQ-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024415903 668644494 /nfs/dbraw/zinc/64/44/94/668644494.db2.gz FWOHTNVKDJNYHQ-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CC1 ZINC001024416310 668644760 /nfs/dbraw/zinc/64/47/60/668644760.db2.gz OWEQXUAGXQHKKL-ZIAGYGMSSA-N 2 2 335.408 -1.087 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001024416373 668644720 /nfs/dbraw/zinc/64/47/20/668644720.db2.gz QFIHHGCXLVYXNI-NFAWXSAZSA-N 2 2 335.408 -1.089 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001024416374 668644852 /nfs/dbraw/zinc/64/48/52/668644852.db2.gz QFIHHGCXLVYXNI-UMVBOHGHSA-N 2 2 335.408 -1.089 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001024416850 668644812 /nfs/dbraw/zinc/64/48/12/668644812.db2.gz IBXOFHZJFBLJRN-ZIAGYGMSSA-N 2 2 335.408 -1.018 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024417348 668644608 /nfs/dbraw/zinc/64/46/08/668644608.db2.gz OXGXMJKRYWRFMQ-CHWSQXEVSA-N 2 2 332.364 -1.224 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)CC1 ZINC001024417578 668644831 /nfs/dbraw/zinc/64/48/31/668644831.db2.gz UAILBYDGLKTPFR-CHWSQXEVSA-N 2 2 335.408 -1.018 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024417798 668645384 /nfs/dbraw/zinc/64/53/84/668645384.db2.gz YSJKEEARXCQWKM-HUUCEWRRSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001024419044 668645491 /nfs/dbraw/zinc/64/54/91/668645491.db2.gz BYQAOAGUVJJRIV-AAVRWANBSA-N 2 2 335.408 -1.089 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001024419044 668645489 /nfs/dbraw/zinc/64/54/89/668645489.db2.gz BYQAOAGUVJJRIV-AAVRWANBSA-N 2 2 335.408 -1.089 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024419240 668645373 /nfs/dbraw/zinc/64/53/73/668645373.db2.gz HPZLWIZBNVTUCB-CHWSQXEVSA-N 2 2 332.364 -1.224 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1O ZINC001024700107 668686919 /nfs/dbraw/zinc/68/69/19/668686919.db2.gz YENWKXRCDMVKHQ-ZIAGYGMSSA-N 2 2 346.391 -1.144 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001024701093 668687029 /nfs/dbraw/zinc/68/70/29/668687029.db2.gz WSOWQTYSACTMEC-CHWSQXEVSA-N 2 2 332.364 -1.224 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001024773771 668695117 /nfs/dbraw/zinc/69/51/17/668695117.db2.gz DKFSFKROJRHLSD-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001024773771 668695114 /nfs/dbraw/zinc/69/51/14/668695114.db2.gz DKFSFKROJRHLSD-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001024773773 668695308 /nfs/dbraw/zinc/69/53/08/668695308.db2.gz DKFSFKROJRHLSD-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001024773773 668695306 /nfs/dbraw/zinc/69/53/06/668695306.db2.gz DKFSFKROJRHLSD-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001024773976 668695091 /nfs/dbraw/zinc/69/50/91/668695091.db2.gz HVQMTJLWFCTNPI-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001024773976 668695087 /nfs/dbraw/zinc/69/50/87/668695087.db2.gz HVQMTJLWFCTNPI-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001024773977 668695367 /nfs/dbraw/zinc/69/53/67/668695367.db2.gz HVQMTJLWFCTNPI-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001024773977 668695364 /nfs/dbraw/zinc/69/53/64/668695364.db2.gz HVQMTJLWFCTNPI-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001024776536 668697025 /nfs/dbraw/zinc/69/70/25/668697025.db2.gz DKPXREWBSKRWCQ-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001024776536 668697023 /nfs/dbraw/zinc/69/70/23/668697023.db2.gz DKPXREWBSKRWCQ-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001024776537 668696863 /nfs/dbraw/zinc/69/68/63/668696863.db2.gz DKPXREWBSKRWCQ-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001024776537 668696860 /nfs/dbraw/zinc/69/68/60/668696860.db2.gz DKPXREWBSKRWCQ-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024776538 668697062 /nfs/dbraw/zinc/69/70/62/668697062.db2.gz DLXDKOGVALYBRJ-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024776538 668697060 /nfs/dbraw/zinc/69/70/60/668697060.db2.gz DLXDKOGVALYBRJ-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024776539 668697006 /nfs/dbraw/zinc/69/70/06/668697006.db2.gz DLXDKOGVALYBRJ-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024776539 668697003 /nfs/dbraw/zinc/69/70/03/668697003.db2.gz DLXDKOGVALYBRJ-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001024777345 668697600 /nfs/dbraw/zinc/69/76/00/668697600.db2.gz WOSKOSBLWZWVHA-HZSPNIEDSA-N 2 2 337.424 -1.009 20 0 EAADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001024777346 668697749 /nfs/dbraw/zinc/69/77/49/668697749.db2.gz WOSKOSBLWZWVHA-MGPQQGTHSA-N 2 2 337.424 -1.009 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024777416 668697845 /nfs/dbraw/zinc/69/78/45/668697845.db2.gz ZGMRIFXARUUHOW-ZIAGYGMSSA-N 2 2 347.419 -1.254 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024777437 668697668 /nfs/dbraw/zinc/69/76/68/668697668.db2.gz AMUSULGZABKMCZ-ZIAGYGMSSA-N 2 2 346.391 -1.144 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001024778119 668695899 /nfs/dbraw/zinc/69/58/99/668695899.db2.gz NZHUFNMCOAFZMV-HUUCEWRRSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001024778182 668695840 /nfs/dbraw/zinc/69/58/40/668695840.db2.gz PMOXXQZKNLWZJL-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001024778182 668695838 /nfs/dbraw/zinc/69/58/38/668695838.db2.gz PMOXXQZKNLWZJL-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001024778186 668695859 /nfs/dbraw/zinc/69/58/59/668695859.db2.gz PMOXXQZKNLWZJL-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001024778186 668695857 /nfs/dbraw/zinc/69/58/57/668695857.db2.gz PMOXXQZKNLWZJL-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1O ZINC001024778402 668695626 /nfs/dbraw/zinc/69/56/26/668695626.db2.gz UPCHJBAWRLNNBN-FMKPAKJESA-N 2 2 349.435 -1.009 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1O ZINC001024778404 668695909 /nfs/dbraw/zinc/69/59/09/668695909.db2.gz UPCHJBAWRLNNBN-IIAWOOMASA-N 2 2 349.435 -1.009 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024778514 668695874 /nfs/dbraw/zinc/69/58/74/668695874.db2.gz VVYJXHVYLMOHEY-HZSPNIEDSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024778514 668695873 /nfs/dbraw/zinc/69/58/73/668695873.db2.gz VVYJXHVYLMOHEY-HZSPNIEDSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024778515 668696001 /nfs/dbraw/zinc/69/60/01/668696001.db2.gz VVYJXHVYLMOHEY-MGPQQGTHSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024778515 668695998 /nfs/dbraw/zinc/69/59/98/668695998.db2.gz VVYJXHVYLMOHEY-MGPQQGTHSA-N 2 2 335.408 -1.255 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024778530 668695869 /nfs/dbraw/zinc/69/58/69/668695869.db2.gz WQWPYFLMDILTRZ-IACUBPJLSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024778530 668695868 /nfs/dbraw/zinc/69/58/68/668695868.db2.gz WQWPYFLMDILTRZ-IACUBPJLSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024778531 668695896 /nfs/dbraw/zinc/69/58/96/668695896.db2.gz WQWPYFLMDILTRZ-MRVWCRGKSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024778531 668695895 /nfs/dbraw/zinc/69/58/95/668695895.db2.gz WQWPYFLMDILTRZ-MRVWCRGKSA-N 2 2 335.408 -1.398 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024778566 668696546 /nfs/dbraw/zinc/69/65/46/668696546.db2.gz YAELPNFLEKMVQO-ZIAGYGMSSA-N 2 2 335.408 -1.254 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001024778776 668696265 /nfs/dbraw/zinc/69/62/65/668696265.db2.gz FFGFNBFDBCRVFU-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001024778776 668696261 /nfs/dbraw/zinc/69/62/61/668696261.db2.gz FFGFNBFDBCRVFU-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001024778777 668696581 /nfs/dbraw/zinc/69/65/81/668696581.db2.gz FFGFNBFDBCRVFU-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001024778777 668696578 /nfs/dbraw/zinc/69/65/78/668696578.db2.gz FFGFNBFDBCRVFU-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001024779029 668696509 /nfs/dbraw/zinc/69/65/09/668696509.db2.gz MCVOUBKWECGRST-NMFUWQPSSA-N 2 2 349.435 -1.009 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001024779029 668696504 /nfs/dbraw/zinc/69/65/04/668696504.db2.gz MCVOUBKWECGRST-NMFUWQPSSA-N 2 2 349.435 -1.009 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024779328 668696626 /nfs/dbraw/zinc/69/66/26/668696626.db2.gz QHENDPYOLNJZSP-ZIAGYGMSSA-N 2 2 346.391 -1.144 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787092 668698176 /nfs/dbraw/zinc/69/81/76/668698176.db2.gz DBYLBSBOPLJOTL-ZIAGYGMSSA-N 2 2 347.419 -1.254 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787650 668698835 /nfs/dbraw/zinc/69/88/35/668698835.db2.gz VDAVFSYWDZTDRH-CHWSQXEVSA-N 2 2 333.392 -1.333 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024788295 668699357 /nfs/dbraw/zinc/69/93/57/668699357.db2.gz HSYGNXSALVARSJ-VXGBXAGGSA-N 2 2 333.392 -1.264 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024790890 668699675 /nfs/dbraw/zinc/69/96/75/668699675.db2.gz FYDLMIVKOMEQBU-CHWSQXEVSA-N 2 2 333.392 -1.264 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024957336 668718231 /nfs/dbraw/zinc/71/82/31/668718231.db2.gz FXIADGOHEOBDTD-IACUBPJLSA-N 2 2 335.408 -1.100 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024957336 668718229 /nfs/dbraw/zinc/71/82/29/668718229.db2.gz FXIADGOHEOBDTD-IACUBPJLSA-N 2 2 335.408 -1.100 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024957339 668718662 /nfs/dbraw/zinc/71/86/62/668718662.db2.gz FXIADGOHEOBDTD-MRVWCRGKSA-N 2 2 335.408 -1.100 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024957339 668718659 /nfs/dbraw/zinc/71/86/59/668718659.db2.gz FXIADGOHEOBDTD-MRVWCRGKSA-N 2 2 335.408 -1.100 20 0 EAADLP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001025300101 668788773 /nfs/dbraw/zinc/78/87/73/668788773.db2.gz AJAZTXAYACWSGK-CHWSQXEVSA-N 2 2 335.408 -1.018 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025302340 668788539 /nfs/dbraw/zinc/78/85/39/668788539.db2.gz LNFDDEUAKIJAOS-VXGBXAGGSA-N 2 2 333.392 -1.264 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025302668 668788492 /nfs/dbraw/zinc/78/84/92/668788492.db2.gz VUEUWQCIYCCOKA-BFHYXJOUSA-N 2 2 347.419 -1.018 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025302669 668788569 /nfs/dbraw/zinc/78/85/69/668788569.db2.gz VUEUWQCIYCCOKA-MGPQQGTHSA-N 2 2 347.419 -1.018 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025302676 668788327 /nfs/dbraw/zinc/78/83/27/668788327.db2.gz WAFQERKNCCVCOK-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025302676 668788325 /nfs/dbraw/zinc/78/83/25/668788325.db2.gz WAFQERKNCCVCOK-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025302677 668788478 /nfs/dbraw/zinc/78/84/78/668788478.db2.gz WAFQERKNCCVCOK-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025302677 668788476 /nfs/dbraw/zinc/78/84/76/668788476.db2.gz WAFQERKNCCVCOK-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001025304005 668788357 /nfs/dbraw/zinc/78/83/57/668788357.db2.gz LOUAIYMRLABXFF-JMSVASOKSA-N 2 2 335.408 -1.020 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001025304007 668788453 /nfs/dbraw/zinc/78/84/53/668788453.db2.gz LOUAIYMRLABXFF-LALPHHSUSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304708 668788865 /nfs/dbraw/zinc/78/88/65/668788865.db2.gz ZFKBLJVCTLSGCU-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304708 668788864 /nfs/dbraw/zinc/78/88/64/668788864.db2.gz ZFKBLJVCTLSGCU-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304709 668788781 /nfs/dbraw/zinc/78/87/81/668788781.db2.gz ZFKBLJVCTLSGCU-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304709 668788779 /nfs/dbraw/zinc/78/87/79/668788779.db2.gz ZFKBLJVCTLSGCU-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001025306061 668789617 /nfs/dbraw/zinc/78/96/17/668789617.db2.gz UBLUARPMXSXCRC-FDYHWXHSSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001025306061 668789614 /nfs/dbraw/zinc/78/96/14/668789614.db2.gz UBLUARPMXSXCRC-FDYHWXHSSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001025685261 685095563 /nfs/dbraw/zinc/09/55/63/685095563.db2.gz FEKSMFMIMSZBNM-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001025685261 685095558 /nfs/dbraw/zinc/09/55/58/685095558.db2.gz FEKSMFMIMSZBNM-BPLDGKMQSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001025685262 685095974 /nfs/dbraw/zinc/09/59/74/685095974.db2.gz FEKSMFMIMSZBNM-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001025685262 685095967 /nfs/dbraw/zinc/09/59/67/685095967.db2.gz FEKSMFMIMSZBNM-NWANDNLSSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001025685484 685096464 /nfs/dbraw/zinc/09/64/64/685096464.db2.gz KXTATPYOQDQYIA-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001025685484 685096458 /nfs/dbraw/zinc/09/64/58/685096458.db2.gz KXTATPYOQDQYIA-JHJVBQTASA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001025685485 685096206 /nfs/dbraw/zinc/09/62/06/685096206.db2.gz KXTATPYOQDQYIA-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001025685485 685096199 /nfs/dbraw/zinc/09/61/99/685096199.db2.gz KXTATPYOQDQYIA-YNEHKIRRSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025686716 668843205 /nfs/dbraw/zinc/84/32/05/668843205.db2.gz IIINNLRKGBJYGK-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025686716 668843203 /nfs/dbraw/zinc/84/32/03/668843203.db2.gz IIINNLRKGBJYGK-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025686717 668843066 /nfs/dbraw/zinc/84/30/66/668843066.db2.gz IIINNLRKGBJYGK-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025686717 668843063 /nfs/dbraw/zinc/84/30/63/668843063.db2.gz IIINNLRKGBJYGK-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001025687431 668842040 /nfs/dbraw/zinc/84/20/40/668842040.db2.gz SYJIESHFGAFWPJ-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001025687431 668842038 /nfs/dbraw/zinc/84/20/38/668842038.db2.gz SYJIESHFGAFWPJ-BFHYXJOUSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001025687432 668841836 /nfs/dbraw/zinc/84/18/36/668841836.db2.gz SYJIESHFGAFWPJ-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001025687432 668841832 /nfs/dbraw/zinc/84/18/32/668841832.db2.gz SYJIESHFGAFWPJ-MGPQQGTHSA-N 2 2 335.408 -1.087 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025800951 685098646 /nfs/dbraw/zinc/09/86/46/685098646.db2.gz HARZVJCNHCPWQV-CHWSQXEVSA-N 2 2 333.392 -1.264 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025801140 685098791 /nfs/dbraw/zinc/09/87/91/685098791.db2.gz LFYXOUJJSYNDIU-RBSFLKMASA-N 2 2 347.419 -1.018 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001025801141 685099361 /nfs/dbraw/zinc/09/93/61/685099361.db2.gz LFYXOUJJSYNDIU-RRFJBIMHSA-N 2 2 347.419 -1.018 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025801587 685099321 /nfs/dbraw/zinc/09/93/21/685099321.db2.gz VJKDFRJSHLHWEI-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025801587 685099316 /nfs/dbraw/zinc/09/93/16/685099316.db2.gz VJKDFRJSHLHWEI-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025801588 685098678 /nfs/dbraw/zinc/09/86/78/685098678.db2.gz VJKDFRJSHLHWEI-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025801588 685098672 /nfs/dbraw/zinc/09/86/72/685098672.db2.gz VJKDFRJSHLHWEI-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001025802914 668855425 /nfs/dbraw/zinc/85/54/25/668855425.db2.gz MJJAOKFONCZKSK-FMKGYKFTSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001025802914 668855423 /nfs/dbraw/zinc/85/54/23/668855423.db2.gz MJJAOKFONCZKSK-FMKGYKFTSA-N 2 2 335.408 -1.020 20 0 EAADLP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001025803020 668855258 /nfs/dbraw/zinc/85/52/58/668855258.db2.gz QGFPHFHEOWZUAI-ZIAGYGMSSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804556 685097280 /nfs/dbraw/zinc/09/72/80/685097280.db2.gz JBOOQPGAUGNPLH-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804556 685097275 /nfs/dbraw/zinc/09/72/75/685097275.db2.gz JBOOQPGAUGNPLH-IACUBPJLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804557 685097420 /nfs/dbraw/zinc/09/74/20/685097420.db2.gz JBOOQPGAUGNPLH-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804557 685097414 /nfs/dbraw/zinc/09/74/14/685097414.db2.gz JBOOQPGAUGNPLH-MRVWCRGKSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001025804633 685096818 /nfs/dbraw/zinc/09/68/18/685096818.db2.gz MZXBSNSTTWLPLV-NFAWXSAZSA-N 2 2 335.408 -1.020 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001025804634 685097689 /nfs/dbraw/zinc/09/76/89/685097689.db2.gz MZXBSNSTTWLPLV-UMVBOHGHSA-N 2 2 335.408 -1.020 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045337 668068402 /nfs/dbraw/zinc/06/84/02/668068402.db2.gz YXHVJQBGNLNICM-MOWSAHLDSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045337 668068398 /nfs/dbraw/zinc/06/83/98/668068398.db2.gz YXHVJQBGNLNICM-MOWSAHLDSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045337 668068395 /nfs/dbraw/zinc/06/83/95/668068395.db2.gz YXHVJQBGNLNICM-MOWSAHLDSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045337 668068390 /nfs/dbraw/zinc/06/83/90/668068390.db2.gz YXHVJQBGNLNICM-MOWSAHLDSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045338 668068451 /nfs/dbraw/zinc/06/84/51/668068451.db2.gz YXHVJQBGNLNICM-SSKLVLDBSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045338 668068447 /nfs/dbraw/zinc/06/84/47/668068447.db2.gz YXHVJQBGNLNICM-SSKLVLDBSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045338 668068443 /nfs/dbraw/zinc/06/84/43/668068443.db2.gz YXHVJQBGNLNICM-SSKLVLDBSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045338 668068439 /nfs/dbraw/zinc/06/84/39/668068439.db2.gz YXHVJQBGNLNICM-SSKLVLDBSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045339 668068181 /nfs/dbraw/zinc/06/81/81/668068181.db2.gz YXHVJQBGNLNICM-SVPLCASGSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045339 668068178 /nfs/dbraw/zinc/06/81/78/668068178.db2.gz YXHVJQBGNLNICM-SVPLCASGSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045339 668068174 /nfs/dbraw/zinc/06/81/74/668068174.db2.gz YXHVJQBGNLNICM-SVPLCASGSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045339 668068171 /nfs/dbraw/zinc/06/81/71/668068171.db2.gz YXHVJQBGNLNICM-SVPLCASGSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045341 668068354 /nfs/dbraw/zinc/06/83/54/668068354.db2.gz YXHVJQBGNLNICM-ZXPJVPCYSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045341 668068352 /nfs/dbraw/zinc/06/83/52/668068352.db2.gz YXHVJQBGNLNICM-ZXPJVPCYSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045341 668068351 /nfs/dbraw/zinc/06/83/51/668068351.db2.gz YXHVJQBGNLNICM-ZXPJVPCYSA-N 2 2 334.424 -1.148 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001026045341 668068350 /nfs/dbraw/zinc/06/83/50/668068350.db2.gz YXHVJQBGNLNICM-ZXPJVPCYSA-N 2 2 334.424 -1.148 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001026749235 668152262 /nfs/dbraw/zinc/15/22/62/668152262.db2.gz DAGXVTFUOVGQDC-NEPJUHHUSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001026749235 668152259 /nfs/dbraw/zinc/15/22/59/668152259.db2.gz DAGXVTFUOVGQDC-NEPJUHHUSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001026749236 668151985 /nfs/dbraw/zinc/15/19/85/668151985.db2.gz DAGXVTFUOVGQDC-NWDGAFQWSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001026749236 668151981 /nfs/dbraw/zinc/15/19/81/668151981.db2.gz DAGXVTFUOVGQDC-NWDGAFQWSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001026749237 668152116 /nfs/dbraw/zinc/15/21/16/668152116.db2.gz DAGXVTFUOVGQDC-RYUDHWBXSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001026749237 668152113 /nfs/dbraw/zinc/15/21/13/668152113.db2.gz DAGXVTFUOVGQDC-RYUDHWBXSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001026749238 668152170 /nfs/dbraw/zinc/15/21/70/668152170.db2.gz DAGXVTFUOVGQDC-VXGBXAGGSA-N 2 2 338.412 -1.623 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001026749238 668152165 /nfs/dbraw/zinc/15/21/65/668152165.db2.gz DAGXVTFUOVGQDC-VXGBXAGGSA-N 2 2 338.412 -1.623 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)O1 ZINC001026916166 668161062 /nfs/dbraw/zinc/16/10/62/668161062.db2.gz CFHFPVORQPMROP-FRRDWIJNSA-N 2 2 337.428 -1.133 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)O1 ZINC001026916166 668161060 /nfs/dbraw/zinc/16/10/60/668161060.db2.gz CFHFPVORQPMROP-FRRDWIJNSA-N 2 2 337.428 -1.133 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)O1 ZINC001026916167 668160953 /nfs/dbraw/zinc/16/09/53/668160953.db2.gz CFHFPVORQPMROP-JHJVBQTASA-N 2 2 337.428 -1.133 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)O1 ZINC001026916167 668160949 /nfs/dbraw/zinc/16/09/49/668160949.db2.gz CFHFPVORQPMROP-JHJVBQTASA-N 2 2 337.428 -1.133 20 0 EAADLP Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001027122663 668185917 /nfs/dbraw/zinc/18/59/17/668185917.db2.gz ASJMTQQSSCWGQM-CYBMUJFWSA-N 2 2 337.428 -1.130 20 0 EAADLP Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001027122664 668185804 /nfs/dbraw/zinc/18/58/04/668185804.db2.gz ASJMTQQSSCWGQM-ZDUSSCGKSA-N 2 2 337.428 -1.130 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228603 668205946 /nfs/dbraw/zinc/20/59/46/668205946.db2.gz SNMCSRRBSYNJAS-CHWSQXEVSA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228603 668205944 /nfs/dbraw/zinc/20/59/44/668205944.db2.gz SNMCSRRBSYNJAS-CHWSQXEVSA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228604 668205875 /nfs/dbraw/zinc/20/58/75/668205875.db2.gz SNMCSRRBSYNJAS-OLZOCXBDSA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228604 668205870 /nfs/dbraw/zinc/20/58/70/668205870.db2.gz SNMCSRRBSYNJAS-OLZOCXBDSA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228605 668206046 /nfs/dbraw/zinc/20/60/46/668206046.db2.gz SNMCSRRBSYNJAS-QWHCGFSZSA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228605 668206043 /nfs/dbraw/zinc/20/60/43/668206043.db2.gz SNMCSRRBSYNJAS-QWHCGFSZSA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228606 668205986 /nfs/dbraw/zinc/20/59/86/668205986.db2.gz SNMCSRRBSYNJAS-STQMWFEESA-N 2 2 337.428 -1.131 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001027228606 668205984 /nfs/dbraw/zinc/20/59/84/668205984.db2.gz SNMCSRRBSYNJAS-STQMWFEESA-N 2 2 337.428 -1.131 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)C1 ZINC001027805685 668485097 /nfs/dbraw/zinc/48/50/97/668485097.db2.gz ABNUQHMZEGAXFR-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCN2CCNC2=O)C1 ZINC001027805685 668485093 /nfs/dbraw/zinc/48/50/93/668485093.db2.gz ABNUQHMZEGAXFR-KBPBESRZSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCNC2=O)C1 ZINC001027805685 668485091 /nfs/dbraw/zinc/48/50/91/668485091.db2.gz ABNUQHMZEGAXFR-KBPBESRZSA-N 2 2 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C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001028466266 668780699 /nfs/dbraw/zinc/78/06/99/668780699.db2.gz PIKUZVPVRJZZJS-CHWSQXEVSA-N 2 2 333.454 -1.200 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001028466267 668780641 /nfs/dbraw/zinc/78/06/41/668780641.db2.gz PIKUZVPVRJZZJS-OLZOCXBDSA-N 2 2 333.454 -1.200 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001028466267 668780640 /nfs/dbraw/zinc/78/06/40/668780640.db2.gz PIKUZVPVRJZZJS-OLZOCXBDSA-N 2 2 333.454 -1.200 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001028466267 668780638 /nfs/dbraw/zinc/78/06/38/668780638.db2.gz PIKUZVPVRJZZJS-OLZOCXBDSA-N 2 2 333.454 -1.200 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001028466267 668780636 /nfs/dbraw/zinc/78/06/36/668780636.db2.gz PIKUZVPVRJZZJS-OLZOCXBDSA-N 2 2 333.454 -1.200 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)C1 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O=C(NCC1C[NH+](CCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001031869326 669125070 /nfs/dbraw/zinc/12/50/70/669125070.db2.gz SYXBGPLNUSCAQY-CABCVRRESA-N 2 2 327.425 -1.094 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cn1 ZINC001032043614 669407595 /nfs/dbraw/zinc/40/75/95/669407595.db2.gz JUSUUOQLCPKXHB-AWEZNQCLSA-N 2 2 334.424 -1.005 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cn1 ZINC001032043616 669407606 /nfs/dbraw/zinc/40/76/06/669407606.db2.gz JUSUUOQLCPKXHB-CQSZACIVSA-N 2 2 334.424 -1.005 20 0 EAADLP O=C(C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCOCC1 ZINC001032130004 669475078 /nfs/dbraw/zinc/47/50/78/669475078.db2.gz CRVVVZOYICJWQT-UHFFFAOYSA-N 2 2 336.436 -1.011 20 0 EAADLP O=C(C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCNC(=O)C1 ZINC001032130453 669475621 /nfs/dbraw/zinc/47/56/21/669475621.db2.gz QSMOZCAIXPYJTH-UHFFFAOYSA-N 2 2 349.435 -1.911 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001032182954 669488784 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20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001039760590 673128385 /nfs/dbraw/zinc/12/83/85/673128385.db2.gz PTGYAIPRMPOARI-CJNGLKHVSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001039760590 673128382 /nfs/dbraw/zinc/12/83/82/673128382.db2.gz PTGYAIPRMPOARI-CJNGLKHVSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001039760591 673128120 /nfs/dbraw/zinc/12/81/20/673128120.db2.gz PTGYAIPRMPOARI-CZUORRHYSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001039760591 673128117 /nfs/dbraw/zinc/12/81/17/673128117.db2.gz PTGYAIPRMPOARI-CZUORRHYSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001039760592 673128226 /nfs/dbraw/zinc/12/82/26/673128226.db2.gz PTGYAIPRMPOARI-XJKSGUPXSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001039760592 673128222 /nfs/dbraw/zinc/12/82/22/673128222.db2.gz PTGYAIPRMPOARI-XJKSGUPXSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761077 673128761 /nfs/dbraw/zinc/12/87/61/673128761.db2.gz YKKPRBYNXAQERP-BLLLJJGKSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761077 673128758 /nfs/dbraw/zinc/12/87/58/673128758.db2.gz YKKPRBYNXAQERP-BLLLJJGKSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761078 673129027 /nfs/dbraw/zinc/12/90/27/673129027.db2.gz YKKPRBYNXAQERP-LRDDRELGSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761078 673129021 /nfs/dbraw/zinc/12/90/21/673129021.db2.gz YKKPRBYNXAQERP-LRDDRELGSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761079 673128774 /nfs/dbraw/zinc/12/87/74/673128774.db2.gz YKKPRBYNXAQERP-MLGOLLRUSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761079 673128771 /nfs/dbraw/zinc/12/87/71/673128771.db2.gz YKKPRBYNXAQERP-MLGOLLRUSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761080 673128978 /nfs/dbraw/zinc/12/89/78/673128978.db2.gz YKKPRBYNXAQERP-WBMJQRKESA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001039761080 673128973 /nfs/dbraw/zinc/12/89/73/673128973.db2.gz YKKPRBYNXAQERP-WBMJQRKESA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217803 673174467 /nfs/dbraw/zinc/17/44/67/673174467.db2.gz RGHOIBQHPJUENL-BBRMVZONSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217803 673174464 /nfs/dbraw/zinc/17/44/64/673174464.db2.gz RGHOIBQHPJUENL-BBRMVZONSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217804 673174516 /nfs/dbraw/zinc/17/45/16/673174516.db2.gz RGHOIBQHPJUENL-CJNGLKHVSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217804 673174514 /nfs/dbraw/zinc/17/45/14/673174514.db2.gz RGHOIBQHPJUENL-CJNGLKHVSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217805 673174417 /nfs/dbraw/zinc/17/44/17/673174417.db2.gz RGHOIBQHPJUENL-CZUORRHYSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217805 673174415 /nfs/dbraw/zinc/17/44/15/673174415.db2.gz RGHOIBQHPJUENL-CZUORRHYSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217806 673174384 /nfs/dbraw/zinc/17/43/84/673174384.db2.gz RGHOIBQHPJUENL-XJKSGUPXSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040217806 673174380 /nfs/dbraw/zinc/17/43/80/673174380.db2.gz RGHOIBQHPJUENL-XJKSGUPXSA-N 2 2 335.408 -1.086 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040355145 669279619 /nfs/dbraw/zinc/27/96/19/669279619.db2.gz URKLXNKEMWMMBS-INIZCTEOSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040355150 669279346 /nfs/dbraw/zinc/27/93/46/669279346.db2.gz URKLXNKEMWMMBS-MRXNPFEDSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040355461 673195933 /nfs/dbraw/zinc/19/59/33/673195933.db2.gz WFZROCQBMLHVAF-CXAGYDPISA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040355461 673195930 /nfs/dbraw/zinc/19/59/30/673195930.db2.gz WFZROCQBMLHVAF-CXAGYDPISA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040355463 673196122 /nfs/dbraw/zinc/19/61/22/673196122.db2.gz WFZROCQBMLHVAF-DYVFJYSZSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040355463 673196121 /nfs/dbraw/zinc/19/61/21/673196121.db2.gz WFZROCQBMLHVAF-DYVFJYSZSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040355465 673195993 /nfs/dbraw/zinc/19/59/93/673195993.db2.gz WFZROCQBMLHVAF-GUYCJALGSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040355465 673195990 /nfs/dbraw/zinc/19/59/90/673195990.db2.gz WFZROCQBMLHVAF-GUYCJALGSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040355466 673196016 /nfs/dbraw/zinc/19/60/16/673196016.db2.gz WFZROCQBMLHVAF-SUMWQHHRSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040355466 673196014 /nfs/dbraw/zinc/19/60/14/673196014.db2.gz WFZROCQBMLHVAF-SUMWQHHRSA-N 2 2 349.435 -1.006 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693934 673237128 /nfs/dbraw/zinc/23/71/28/673237128.db2.gz FZQVOSJGOUVKKB-BLLLJJGKSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693934 673237127 /nfs/dbraw/zinc/23/71/27/673237127.db2.gz FZQVOSJGOUVKKB-BLLLJJGKSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693935 673237018 /nfs/dbraw/zinc/23/70/18/673237018.db2.gz FZQVOSJGOUVKKB-LRDDRELGSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693935 673237011 /nfs/dbraw/zinc/23/70/11/673237011.db2.gz FZQVOSJGOUVKKB-LRDDRELGSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693936 673237060 /nfs/dbraw/zinc/23/70/60/673237060.db2.gz FZQVOSJGOUVKKB-MLGOLLRUSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693936 673237056 /nfs/dbraw/zinc/23/70/56/673237056.db2.gz FZQVOSJGOUVKKB-MLGOLLRUSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693937 673237076 /nfs/dbraw/zinc/23/70/76/673237076.db2.gz FZQVOSJGOUVKKB-WBMJQRKESA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040693937 673237072 /nfs/dbraw/zinc/23/70/72/673237072.db2.gz FZQVOSJGOUVKKB-WBMJQRKESA-N 2 2 335.408 -1.017 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799534 673260048 /nfs/dbraw/zinc/26/00/48/673260048.db2.gz ZZIQLDZBSIYUAA-INIZCTEOSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799535 673260315 /nfs/dbraw/zinc/26/03/15/673260315.db2.gz ZZIQLDZBSIYUAA-MRXNPFEDSA-N 2 2 337.424 -1.006 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035418 673289959 /nfs/dbraw/zinc/28/99/59/673289959.db2.gz JEIADUBOOHZWOJ-BLLLJJGKSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035418 673289957 /nfs/dbraw/zinc/28/99/57/673289957.db2.gz JEIADUBOOHZWOJ-BLLLJJGKSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035419 673289744 /nfs/dbraw/zinc/28/97/44/673289744.db2.gz JEIADUBOOHZWOJ-LRDDRELGSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035419 673289742 /nfs/dbraw/zinc/28/97/42/673289742.db2.gz JEIADUBOOHZWOJ-LRDDRELGSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035420 673289797 /nfs/dbraw/zinc/28/97/97/673289797.db2.gz JEIADUBOOHZWOJ-MLGOLLRUSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035420 673289795 /nfs/dbraw/zinc/28/97/95/673289795.db2.gz JEIADUBOOHZWOJ-MLGOLLRUSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035421 673289814 /nfs/dbraw/zinc/28/98/14/673289814.db2.gz JEIADUBOOHZWOJ-WBMJQRKESA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041035421 673289812 /nfs/dbraw/zinc/28/98/12/673289812.db2.gz JEIADUBOOHZWOJ-WBMJQRKESA-N 2 2 335.408 -1.017 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001041049382 673291764 /nfs/dbraw/zinc/29/17/64/673291764.db2.gz LFKGVFNXCFICLQ-CYZMBNFOSA-N 2 2 345.407 -1.019 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001041049382 673291761 /nfs/dbraw/zinc/29/17/61/673291761.db2.gz LFKGVFNXCFICLQ-CYZMBNFOSA-N 2 2 345.407 -1.019 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001041049383 673291725 /nfs/dbraw/zinc/29/17/25/673291725.db2.gz LFKGVFNXCFICLQ-RAIGVLPGSA-N 2 2 345.407 -1.019 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001041049383 673291723 /nfs/dbraw/zinc/29/17/23/673291723.db2.gz LFKGVFNXCFICLQ-RAIGVLPGSA-N 2 2 345.407 -1.019 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042097961 673408873 /nfs/dbraw/zinc/40/88/73/673408873.db2.gz KZUGGLNVUUZYNP-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042097961 673408871 /nfs/dbraw/zinc/40/88/71/673408871.db2.gz KZUGGLNVUUZYNP-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042097961 673408868 /nfs/dbraw/zinc/40/88/68/673408868.db2.gz KZUGGLNVUUZYNP-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042097961 673408866 /nfs/dbraw/zinc/40/88/66/673408866.db2.gz KZUGGLNVUUZYNP-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042097963 673408677 /nfs/dbraw/zinc/40/86/77/673408677.db2.gz KZUGGLNVUUZYNP-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042097963 673408675 /nfs/dbraw/zinc/40/86/75/673408675.db2.gz KZUGGLNVUUZYNP-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042097963 673408673 /nfs/dbraw/zinc/40/86/73/673408673.db2.gz KZUGGLNVUUZYNP-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042097963 673408671 /nfs/dbraw/zinc/40/86/71/673408671.db2.gz KZUGGLNVUUZYNP-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042097964 673408700 /nfs/dbraw/zinc/40/87/00/673408700.db2.gz KZUGGLNVUUZYNP-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042097964 673408698 /nfs/dbraw/zinc/40/86/98/673408698.db2.gz KZUGGLNVUUZYNP-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042097964 673408697 /nfs/dbraw/zinc/40/86/97/673408697.db2.gz KZUGGLNVUUZYNP-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042097964 673408695 /nfs/dbraw/zinc/40/86/95/673408695.db2.gz KZUGGLNVUUZYNP-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042097965 673408759 /nfs/dbraw/zinc/40/87/59/673408759.db2.gz KZUGGLNVUUZYNP-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042097965 673408757 /nfs/dbraw/zinc/40/87/57/673408757.db2.gz KZUGGLNVUUZYNP-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042097965 673408755 /nfs/dbraw/zinc/40/87/55/673408755.db2.gz KZUGGLNVUUZYNP-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042097965 673408753 /nfs/dbraw/zinc/40/87/53/673408753.db2.gz KZUGGLNVUUZYNP-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042097978 673408772 /nfs/dbraw/zinc/40/87/72/673408772.db2.gz LHPZQWKNOIXUIH-CYBMUJFWSA-N 2 2 335.408 -1.254 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042097978 673408771 /nfs/dbraw/zinc/40/87/71/673408771.db2.gz LHPZQWKNOIXUIH-CYBMUJFWSA-N 2 2 335.408 -1.254 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042097980 673408816 /nfs/dbraw/zinc/40/88/16/673408816.db2.gz LHPZQWKNOIXUIH-ZDUSSCGKSA-N 2 2 335.408 -1.254 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042097980 673408814 /nfs/dbraw/zinc/40/88/14/673408814.db2.gz LHPZQWKNOIXUIH-ZDUSSCGKSA-N 2 2 335.408 -1.254 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042104313 673410485 /nfs/dbraw/zinc/41/04/85/673410485.db2.gz NNFSVJIEAULJLN-CYBMUJFWSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042104313 673410482 /nfs/dbraw/zinc/41/04/82/673410482.db2.gz NNFSVJIEAULJLN-CYBMUJFWSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042104314 673410274 /nfs/dbraw/zinc/41/02/74/673410274.db2.gz NNFSVJIEAULJLN-ZDUSSCGKSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042104314 673410273 /nfs/dbraw/zinc/41/02/73/673410273.db2.gz NNFSVJIEAULJLN-ZDUSSCGKSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042105087 673410876 /nfs/dbraw/zinc/41/08/76/673410876.db2.gz VWONMMFDQMTYCR-CYBMUJFWSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042105087 673410873 /nfs/dbraw/zinc/41/08/73/673410873.db2.gz VWONMMFDQMTYCR-CYBMUJFWSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042105088 673410953 /nfs/dbraw/zinc/41/09/53/673410953.db2.gz VWONMMFDQMTYCR-ZDUSSCGKSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042105088 673410952 /nfs/dbraw/zinc/41/09/52/673410952.db2.gz VWONMMFDQMTYCR-ZDUSSCGKSA-N 2 2 335.408 -1.025 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299321 673433492 /nfs/dbraw/zinc/43/34/92/673433492.db2.gz AFKACPCFMSXUJA-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299321 673433490 /nfs/dbraw/zinc/43/34/90/673433490.db2.gz AFKACPCFMSXUJA-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042299321 673433487 /nfs/dbraw/zinc/43/34/87/673433487.db2.gz AFKACPCFMSXUJA-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042299321 673433483 /nfs/dbraw/zinc/43/34/83/673433483.db2.gz AFKACPCFMSXUJA-CHWSQXEVSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299322 673433606 /nfs/dbraw/zinc/43/36/06/673433606.db2.gz AFKACPCFMSXUJA-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299322 673433604 /nfs/dbraw/zinc/43/36/04/673433604.db2.gz AFKACPCFMSXUJA-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042299322 673433602 /nfs/dbraw/zinc/43/36/02/673433602.db2.gz AFKACPCFMSXUJA-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042299322 673433597 /nfs/dbraw/zinc/43/35/97/673433597.db2.gz AFKACPCFMSXUJA-OLZOCXBDSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299323 673433751 /nfs/dbraw/zinc/43/37/51/673433751.db2.gz AFKACPCFMSXUJA-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299323 673433749 /nfs/dbraw/zinc/43/37/49/673433749.db2.gz AFKACPCFMSXUJA-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042299323 673433748 /nfs/dbraw/zinc/43/37/48/673433748.db2.gz AFKACPCFMSXUJA-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042299323 673433746 /nfs/dbraw/zinc/43/37/46/673433746.db2.gz AFKACPCFMSXUJA-QWHCGFSZSA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299324 673433687 /nfs/dbraw/zinc/43/36/87/673433687.db2.gz AFKACPCFMSXUJA-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299324 673433683 /nfs/dbraw/zinc/43/36/83/673433683.db2.gz AFKACPCFMSXUJA-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042299324 673433680 /nfs/dbraw/zinc/43/36/80/673433680.db2.gz AFKACPCFMSXUJA-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042299324 673433677 /nfs/dbraw/zinc/43/36/77/673433677.db2.gz AFKACPCFMSXUJA-STQMWFEESA-N 2 2 340.424 -1.899 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001042300099 673434611 /nfs/dbraw/zinc/43/46/11/673434611.db2.gz OOPUZLNNQFLDOJ-CYBMUJFWSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001042300099 673434609 /nfs/dbraw/zinc/43/46/09/673434609.db2.gz OOPUZLNNQFLDOJ-CYBMUJFWSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001042300101 673434844 /nfs/dbraw/zinc/43/48/44/673434844.db2.gz OOPUZLNNQFLDOJ-ZDUSSCGKSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001042300101 673434842 /nfs/dbraw/zinc/43/48/42/673434842.db2.gz OOPUZLNNQFLDOJ-ZDUSSCGKSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001042830039 673496555 /nfs/dbraw/zinc/49/65/55/673496555.db2.gz OTOYDIOLVHEYIJ-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001042830039 673496553 /nfs/dbraw/zinc/49/65/53/673496553.db2.gz OTOYDIOLVHEYIJ-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001042830042 673496576 /nfs/dbraw/zinc/49/65/76/673496576.db2.gz OTOYDIOLVHEYIJ-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001042830042 673496574 /nfs/dbraw/zinc/49/65/74/673496574.db2.gz OTOYDIOLVHEYIJ-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043116095 673551253 /nfs/dbraw/zinc/55/12/53/673551253.db2.gz MJVGSWSZGMHCNX-GFCCVEGCSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116095 673551251 /nfs/dbraw/zinc/55/12/51/673551251.db2.gz MJVGSWSZGMHCNX-GFCCVEGCSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043116096 673551170 /nfs/dbraw/zinc/55/11/70/673551170.db2.gz MJVGSWSZGMHCNX-LBPRGKRZSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116096 673551168 /nfs/dbraw/zinc/55/11/68/673551168.db2.gz MJVGSWSZGMHCNX-LBPRGKRZSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043116494 673551622 /nfs/dbraw/zinc/55/16/22/673551622.db2.gz OIVXSRFNDVOQIN-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116494 673551620 /nfs/dbraw/zinc/55/16/20/673551620.db2.gz OIVXSRFNDVOQIN-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043116495 673551629 /nfs/dbraw/zinc/55/16/29/673551629.db2.gz OIVXSRFNDVOQIN-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116495 673551627 /nfs/dbraw/zinc/55/16/27/673551627.db2.gz OIVXSRFNDVOQIN-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116580 673551584 /nfs/dbraw/zinc/55/15/84/673551584.db2.gz PPKHMLIPSYGSOX-GFCCVEGCSA-N 2 2 335.408 -1.098 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043116580 673551581 /nfs/dbraw/zinc/55/15/81/673551581.db2.gz PPKHMLIPSYGSOX-GFCCVEGCSA-N 2 2 335.408 -1.098 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116581 673551548 /nfs/dbraw/zinc/55/15/48/673551548.db2.gz PPKHMLIPSYGSOX-LBPRGKRZSA-N 2 2 335.408 -1.098 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043116581 673551545 /nfs/dbraw/zinc/55/15/45/673551545.db2.gz PPKHMLIPSYGSOX-LBPRGKRZSA-N 2 2 335.408 -1.098 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001043117541 673551963 /nfs/dbraw/zinc/55/19/63/673551963.db2.gz VHHSYXDGGZSCTF-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001043117541 673551960 /nfs/dbraw/zinc/55/19/60/673551960.db2.gz VHHSYXDGGZSCTF-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001043117547 673552087 /nfs/dbraw/zinc/55/20/87/673552087.db2.gz VHHSYXDGGZSCTF-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001043117547 673552086 /nfs/dbraw/zinc/55/20/86/673552086.db2.gz VHHSYXDGGZSCTF-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118486 673552529 /nfs/dbraw/zinc/55/25/29/673552529.db2.gz ZEURZIJUBMEDEM-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118486 673552525 /nfs/dbraw/zinc/55/25/25/673552525.db2.gz ZEURZIJUBMEDEM-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118487 673552436 /nfs/dbraw/zinc/55/24/36/673552436.db2.gz ZEURZIJUBMEDEM-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118487 673552434 /nfs/dbraw/zinc/55/24/34/673552434.db2.gz ZEURZIJUBMEDEM-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001043118946 673552591 /nfs/dbraw/zinc/55/25/91/673552591.db2.gz PJGYNKXJFUFYKK-CYBMUJFWSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001043118946 673552586 /nfs/dbraw/zinc/55/25/86/673552586.db2.gz PJGYNKXJFUFYKK-CYBMUJFWSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001043118947 673552502 /nfs/dbraw/zinc/55/25/02/673552502.db2.gz PJGYNKXJFUFYKK-ZDUSSCGKSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001043118947 673552499 /nfs/dbraw/zinc/55/24/99/673552499.db2.gz PJGYNKXJFUFYKK-ZDUSSCGKSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001043119020 673553212 /nfs/dbraw/zinc/55/32/12/673553212.db2.gz RUTCUZYQSKEHDE-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001043119020 673553211 /nfs/dbraw/zinc/55/32/11/673553211.db2.gz RUTCUZYQSKEHDE-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001043119020 673553210 /nfs/dbraw/zinc/55/32/10/673553210.db2.gz RUTCUZYQSKEHDE-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001043119020 673553208 /nfs/dbraw/zinc/55/32/08/673553208.db2.gz RUTCUZYQSKEHDE-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001043119021 673553088 /nfs/dbraw/zinc/55/30/88/673553088.db2.gz RUTCUZYQSKEHDE-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001043119021 673553086 /nfs/dbraw/zinc/55/30/86/673553086.db2.gz RUTCUZYQSKEHDE-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001043119021 673553082 /nfs/dbraw/zinc/55/30/82/673553082.db2.gz RUTCUZYQSKEHDE-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001043119021 673553080 /nfs/dbraw/zinc/55/30/80/673553080.db2.gz RUTCUZYQSKEHDE-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043123232 673554092 /nfs/dbraw/zinc/55/40/92/673554092.db2.gz AIHTVACRDWHWJI-CYBMUJFWSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043123232 673554090 /nfs/dbraw/zinc/55/40/90/673554090.db2.gz AIHTVACRDWHWJI-CYBMUJFWSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043123234 673554342 /nfs/dbraw/zinc/55/43/42/673554342.db2.gz AIHTVACRDWHWJI-ZDUSSCGKSA-N 2 2 340.424 -1.898 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043123234 673554339 /nfs/dbraw/zinc/55/43/39/673554339.db2.gz AIHTVACRDWHWJI-ZDUSSCGKSA-N 2 2 340.424 -1.898 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124412 673554286 /nfs/dbraw/zinc/55/42/86/673554286.db2.gz PXBDOHFHPBPIIW-UHFFFAOYSA-N 2 2 335.408 -1.252 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043125818 673555070 /nfs/dbraw/zinc/55/50/70/673555070.db2.gz BEJQITXMEVKUPW-UHFFFAOYSA-N 2 2 335.408 -1.023 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126839 673555299 /nfs/dbraw/zinc/55/52/99/673555299.db2.gz DVCSBYGYIFKIDH-UHFFFAOYSA-N 2 2 335.408 -1.023 20 0 EAADLP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043130531 673556620 /nfs/dbraw/zinc/55/66/20/673556620.db2.gz UAIUKHOLYRYEAJ-UHFFFAOYSA-N 2 2 346.391 -1.143 20 0 EAADLP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001043133912 673557255 /nfs/dbraw/zinc/55/72/55/673557255.db2.gz WHYQMWJGEMDYIM-UHFFFAOYSA-N 2 2 332.364 -1.222 20 0 EAADLP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043157383 673562033 /nfs/dbraw/zinc/56/20/33/673562033.db2.gz BMUIJKQDJSEIOW-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043180283 673568990 /nfs/dbraw/zinc/56/89/90/673568990.db2.gz MTFLVLNKCKMRMH-CYBMUJFWSA-N 2 2 347.419 -1.017 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043180284 673569054 /nfs/dbraw/zinc/56/90/54/673569054.db2.gz MTFLVLNKCKMRMH-ZDUSSCGKSA-N 2 2 347.419 -1.017 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182253 673569324 /nfs/dbraw/zinc/56/93/24/673569324.db2.gz CZAGVMKLMOCUJR-AWEZNQCLSA-N 2 2 347.419 -1.086 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182254 673569473 /nfs/dbraw/zinc/56/94/73/673569473.db2.gz CZAGVMKLMOCUJR-CQSZACIVSA-N 2 2 347.419 -1.086 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182444 673569415 /nfs/dbraw/zinc/56/94/15/673569415.db2.gz LVIPQBKHZRMDNT-AWEZNQCLSA-N 2 2 347.419 -1.017 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182445 673569519 /nfs/dbraw/zinc/56/95/19/673569519.db2.gz LVIPQBKHZRMDNT-CQSZACIVSA-N 2 2 347.419 -1.017 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001043261497 673577902 /nfs/dbraw/zinc/57/79/02/673577902.db2.gz LWBBKJCZZQJQFQ-VXGBXAGGSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001043261497 673577901 /nfs/dbraw/zinc/57/79/01/673577901.db2.gz LWBBKJCZZQJQFQ-VXGBXAGGSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001043262855 673577811 /nfs/dbraw/zinc/57/78/11/673577811.db2.gz XUJXTKOWYZWQTN-TZMCWYRMSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001043262855 673577807 /nfs/dbraw/zinc/57/78/07/673577807.db2.gz XUJXTKOWYZWQTN-TZMCWYRMSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001043263390 673577866 /nfs/dbraw/zinc/57/78/66/673577866.db2.gz JUNQIPGKBFCPSQ-CHWSQXEVSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001043263390 673577862 /nfs/dbraw/zinc/57/78/62/673577862.db2.gz JUNQIPGKBFCPSQ-CHWSQXEVSA-N 2 2 335.408 -1.087 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001043264305 673577928 /nfs/dbraw/zinc/57/79/28/673577928.db2.gz PRHBVASXGBRUNW-DGCLKSJQSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001043264305 673577927 /nfs/dbraw/zinc/57/79/27/673577927.db2.gz PRHBVASXGBRUNW-DGCLKSJQSA-N 2 2 335.408 -1.018 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043429890 673605690 /nfs/dbraw/zinc/60/56/90/673605690.db2.gz HIYPNEITOGOVTE-UHFFFAOYSA-N 2 2 337.424 -1.008 20 0 EAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043429890 673605689 /nfs/dbraw/zinc/60/56/89/673605689.db2.gz HIYPNEITOGOVTE-UHFFFAOYSA-N 2 2 337.424 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461041 673609523 /nfs/dbraw/zinc/60/95/23/673609523.db2.gz AMTCMNUSBNDWLU-HNNXBMFYSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461042 673609377 /nfs/dbraw/zinc/60/93/77/673609377.db2.gz AMTCMNUSBNDWLU-OAHLLOKOSA-N 2 2 349.435 -1.008 20 0 EAADLP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001043461061 673609491 /nfs/dbraw/zinc/60/94/91/673609491.db2.gz AZDYFWJVOPHHLZ-AWEZNQCLSA-N 2 2 335.408 -1.087 20 0 EAADLP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001043461062 673609419 /nfs/dbraw/zinc/60/94/19/673609419.db2.gz AZDYFWJVOPHHLZ-CQSZACIVSA-N 2 2 335.408 -1.087 20 0 EAADLP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001043461109 673609437 /nfs/dbraw/zinc/60/94/37/673609437.db2.gz BSRBDOAMIUNMMR-AWEZNQCLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001043461111 673609390 /nfs/dbraw/zinc/60/93/90/673609390.db2.gz BSRBDOAMIUNMMR-CQSZACIVSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CC1 ZINC001043461657 673609908 /nfs/dbraw/zinc/60/99/08/673609908.db2.gz FIZWLZRDKJJRFA-AWEZNQCLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CC1 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ZINC001044010911 673699867 /nfs/dbraw/zinc/69/98/67/673699867.db2.gz GEAPWODJTSMPJX-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011095 673699974 /nfs/dbraw/zinc/69/99/74/673699974.db2.gz JQNLUWHWRIZPEZ-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011095 673699971 /nfs/dbraw/zinc/69/99/71/673699971.db2.gz JQNLUWHWRIZPEZ-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011134 673699827 /nfs/dbraw/zinc/69/98/27/673699827.db2.gz JXJDCXZWRXJCTH-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011134 673699824 /nfs/dbraw/zinc/69/98/24/673699824.db2.gz JXJDCXZWRXJCTH-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011252 673700076 /nfs/dbraw/zinc/70/00/76/673700076.db2.gz MJVGEERCLQPCKN-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001044011253 673699755 /nfs/dbraw/zinc/69/97/55/673699755.db2.gz MLHKAHUNZIAGBW-CYBMUJFWSA-N 2 2 337.424 -1.008 20 0 EAADLP CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001044011254 673699940 /nfs/dbraw/zinc/69/99/40/673699940.db2.gz MLHKAHUNZIAGBW-ZDUSSCGKSA-N 2 2 337.424 -1.008 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001044011299 673700071 /nfs/dbraw/zinc/70/00/71/673700071.db2.gz MTKBQYFWUPYXHD-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001044011299 673700069 /nfs/dbraw/zinc/70/00/69/673700069.db2.gz MTKBQYFWUPYXHD-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001044011300 673700124 /nfs/dbraw/zinc/70/01/24/673700124.db2.gz MTKBQYFWUPYXHD-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001044011300 673700121 /nfs/dbraw/zinc/70/01/21/673700121.db2.gz MTKBQYFWUPYXHD-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001044011318 673700023 /nfs/dbraw/zinc/70/00/23/673700023.db2.gz NDJRRVOQUIUXAY-UHFFFAOYSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001044011516 673700002 /nfs/dbraw/zinc/70/00/02/673700002.db2.gz QBAMYDFARDHTEN-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044011626 673700347 /nfs/dbraw/zinc/70/03/47/673700347.db2.gz SPFBERLHOWDEBB-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044011626 673700345 /nfs/dbraw/zinc/70/03/45/673700345.db2.gz SPFBERLHOWDEBB-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044011628 673700566 /nfs/dbraw/zinc/70/05/66/673700566.db2.gz SPFBERLHOWDEBB-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044011628 673700564 /nfs/dbraw/zinc/70/05/64/673700564.db2.gz SPFBERLHOWDEBB-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001044012046 673701038 /nfs/dbraw/zinc/70/10/38/673701038.db2.gz ZVZVAJSDEUGUJN-UHFFFAOYSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001044014348 673700976 /nfs/dbraw/zinc/70/09/76/673700976.db2.gz BCKCALJKVAASCN-HNNXBMFYSA-N 2 2 349.435 -1.008 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001044014349 673701023 /nfs/dbraw/zinc/70/10/23/673701023.db2.gz BCKCALJKVAASCN-OAHLLOKOSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014573 673701035 /nfs/dbraw/zinc/70/10/35/673701035.db2.gz HNEGWIHPPCGDBD-GXTWGEPZSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014573 673701033 /nfs/dbraw/zinc/70/10/33/673701033.db2.gz HNEGWIHPPCGDBD-GXTWGEPZSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014574 673700994 /nfs/dbraw/zinc/70/09/94/673700994.db2.gz HNEGWIHPPCGDBD-JSGCOSHPSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014574 673700992 /nfs/dbraw/zinc/70/09/92/673700992.db2.gz HNEGWIHPPCGDBD-JSGCOSHPSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014575 673700892 /nfs/dbraw/zinc/70/08/92/673700892.db2.gz HNEGWIHPPCGDBD-OCCSQVGLSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014575 673700887 /nfs/dbraw/zinc/70/08/87/673700887.db2.gz HNEGWIHPPCGDBD-OCCSQVGLSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014576 673700746 /nfs/dbraw/zinc/70/07/46/673700746.db2.gz HNEGWIHPPCGDBD-TZMCWYRMSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014576 673700743 /nfs/dbraw/zinc/70/07/43/673700743.db2.gz HNEGWIHPPCGDBD-TZMCWYRMSA-N 2 2 349.435 -1.150 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044014971 673700792 /nfs/dbraw/zinc/70/07/92/673700792.db2.gz NOGLMZILGWMFKZ-UHFFFAOYSA-N 2 2 335.408 -1.252 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044014984 673700774 /nfs/dbraw/zinc/70/07/74/673700774.db2.gz NWJOPKAHKGOHHV-GFCCVEGCSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044014984 673700772 /nfs/dbraw/zinc/70/07/72/673700772.db2.gz NWJOPKAHKGOHHV-GFCCVEGCSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044014985 673700853 /nfs/dbraw/zinc/70/08/53/673700853.db2.gz NWJOPKAHKGOHHV-LBPRGKRZSA-N 2 2 335.408 -1.396 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044014985 673700849 /nfs/dbraw/zinc/70/08/49/673700849.db2.gz NWJOPKAHKGOHHV-LBPRGKRZSA-N 2 2 335.408 -1.396 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001044015069 673700874 /nfs/dbraw/zinc/70/08/74/673700874.db2.gz QREZFDIDKWPXDV-TZMCWYRMSA-N 2 2 349.435 -1.008 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001044015069 673700870 /nfs/dbraw/zinc/70/08/70/673700870.db2.gz QREZFDIDKWPXDV-TZMCWYRMSA-N 2 2 349.435 -1.008 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044015168 673701420 /nfs/dbraw/zinc/70/14/20/673701420.db2.gz STDVWPRYLPUYRE-UHFFFAOYSA-N 2 2 346.391 -1.143 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044015191 673701443 /nfs/dbraw/zinc/70/14/43/673701443.db2.gz 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/nfs/dbraw/zinc/71/26/52/673712652.db2.gz WDPQRZZVNREHCD-CYBMUJFWSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001044138043 673712850 /nfs/dbraw/zinc/71/28/50/673712850.db2.gz WDPQRZZVNREHCD-ZDUSSCGKSA-N 2 2 335.408 -1.086 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001044138043 673712847 /nfs/dbraw/zinc/71/28/47/673712847.db2.gz WDPQRZZVNREHCD-ZDUSSCGKSA-N 2 2 335.408 -1.086 20 0 EAADLP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044297691 673726951 /nfs/dbraw/zinc/72/69/51/673726951.db2.gz CDCBPHBJFRJQOV-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044297691 673726950 /nfs/dbraw/zinc/72/69/50/673726950.db2.gz CDCBPHBJFRJQOV-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044327237 673731208 /nfs/dbraw/zinc/73/12/08/673731208.db2.gz XNLGSNSCTRCYEI-GFCCVEGCSA-N 2 2 335.408 -1.098 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044327237 673731206 /nfs/dbraw/zinc/73/12/06/673731206.db2.gz XNLGSNSCTRCYEI-GFCCVEGCSA-N 2 2 335.408 -1.098 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044327238 673731259 /nfs/dbraw/zinc/73/12/59/673731259.db2.gz XNLGSNSCTRCYEI-LBPRGKRZSA-N 2 2 335.408 -1.098 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044327238 673731257 /nfs/dbraw/zinc/73/12/57/673731257.db2.gz XNLGSNSCTRCYEI-LBPRGKRZSA-N 2 2 335.408 -1.098 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044667124 673760355 /nfs/dbraw/zinc/76/03/55/673760355.db2.gz PVBQTWLFZVPBGO-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044667513 673760397 /nfs/dbraw/zinc/76/03/97/673760397.db2.gz XTPOSAVVXDXUQN-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044667513 673760395 /nfs/dbraw/zinc/76/03/95/673760395.db2.gz XTPOSAVVXDXUQN-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044667514 673760518 /nfs/dbraw/zinc/76/05/18/673760518.db2.gz XTPOSAVVXDXUQN-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044667514 673760517 /nfs/dbraw/zinc/76/05/17/673760517.db2.gz XTPOSAVVXDXUQN-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044715408 673764052 /nfs/dbraw/zinc/76/40/52/673764052.db2.gz WWXUXSGZZSNROF-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044715431 673763968 /nfs/dbraw/zinc/76/39/68/673763968.db2.gz XOTJCUVHSURWSS-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044715431 673763965 /nfs/dbraw/zinc/76/39/65/673763965.db2.gz XOTJCUVHSURWSS-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044715432 673763938 /nfs/dbraw/zinc/76/39/38/673763938.db2.gz XOTJCUVHSURWSS-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044715432 673763935 /nfs/dbraw/zinc/76/39/35/673763935.db2.gz XOTJCUVHSURWSS-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)nc1=O ZINC001044972526 673779296 /nfs/dbraw/zinc/77/92/96/673779296.db2.gz TYTIPVOJWPASQM-NWDGAFQWSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)nc1=O ZINC001044972526 673779294 /nfs/dbraw/zinc/77/92/94/673779294.db2.gz TYTIPVOJWPASQM-NWDGAFQWSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)nc1=O ZINC001044972527 673779180 /nfs/dbraw/zinc/77/91/80/673779180.db2.gz TYTIPVOJWPASQM-RYUDHWBXSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)nc1=O ZINC001044972527 673779178 /nfs/dbraw/zinc/77/91/78/673779178.db2.gz TYTIPVOJWPASQM-RYUDHWBXSA-N 2 2 338.412 -1.480 20 0 EAADLP C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001045281316 673803999 /nfs/dbraw/zinc/80/39/99/673803999.db2.gz DQJUFPCQRDAGEP-UHFFFAOYSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281447 673804005 /nfs/dbraw/zinc/80/40/05/673804005.db2.gz IVCYDZRMMVCYBH-NEPJUHHUSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281447 673804004 /nfs/dbraw/zinc/80/40/04/673804004.db2.gz IVCYDZRMMVCYBH-NEPJUHHUSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281449 673803982 /nfs/dbraw/zinc/80/39/82/673803982.db2.gz IVCYDZRMMVCYBH-NWDGAFQWSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281449 673803980 /nfs/dbraw/zinc/80/39/80/673803980.db2.gz IVCYDZRMMVCYBH-NWDGAFQWSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281450 673803731 /nfs/dbraw/zinc/80/37/31/673803731.db2.gz IVCYDZRMMVCYBH-RYUDHWBXSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281450 673803730 /nfs/dbraw/zinc/80/37/30/673803730.db2.gz IVCYDZRMMVCYBH-RYUDHWBXSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281451 673803711 /nfs/dbraw/zinc/80/37/11/673803711.db2.gz IVCYDZRMMVCYBH-VXGBXAGGSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281451 673803708 /nfs/dbraw/zinc/80/37/08/673803708.db2.gz IVCYDZRMMVCYBH-VXGBXAGGSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045281473 673804024 /nfs/dbraw/zinc/80/40/24/673804024.db2.gz KFPKWAQUHJZYGS-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045281473 673804023 /nfs/dbraw/zinc/80/40/23/673804023.db2.gz KFPKWAQUHJZYGS-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045281474 673804012 /nfs/dbraw/zinc/80/40/12/673804012.db2.gz KFPKWAQUHJZYGS-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045281474 673804011 /nfs/dbraw/zinc/80/40/11/673804011.db2.gz KFPKWAQUHJZYGS-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281484 673803795 /nfs/dbraw/zinc/80/37/95/673803795.db2.gz KLPCMGMRLGJXNA-UHFFFAOYSA-N 2 2 339.396 -1.780 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001045281532 673803627 /nfs/dbraw/zinc/80/36/27/673803627.db2.gz LLFDHNAYODYTSO-CYBMUJFWSA-N 2 2 347.419 -1.017 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001045281534 673803832 /nfs/dbraw/zinc/80/38/32/673803832.db2.gz LLFDHNAYODYTSO-ZDUSSCGKSA-N 2 2 347.419 -1.017 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001045281667 673803666 /nfs/dbraw/zinc/80/36/66/673803666.db2.gz OSJUHLNMKKQGAR-AWEZNQCLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001045281669 673803768 /nfs/dbraw/zinc/80/37/68/673803768.db2.gz OSJUHLNMKKQGAR-CQSZACIVSA-N 2 2 335.408 -1.018 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001045282038 673804335 /nfs/dbraw/zinc/80/43/35/673804335.db2.gz SVBOPNIYWIKQIO-UHFFFAOYSA-N 2 2 333.392 -1.263 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282085 673804276 /nfs/dbraw/zinc/80/42/76/673804276.db2.gz UPHXIKXOWDBYFV-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282085 673804273 /nfs/dbraw/zinc/80/42/73/673804273.db2.gz UPHXIKXOWDBYFV-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282087 673804233 /nfs/dbraw/zinc/80/42/33/673804233.db2.gz UPHXIKXOWDBYFV-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282087 673804232 /nfs/dbraw/zinc/80/42/32/673804232.db2.gz UPHXIKXOWDBYFV-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001045282091 673804324 /nfs/dbraw/zinc/80/43/24/673804324.db2.gz UXUXEWJEMOCEPD-UHFFFAOYSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001045286803 673805083 /nfs/dbraw/zinc/80/50/83/673805083.db2.gz NYPKRDPIYRSIQM-VXGBXAGGSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001045286803 673805081 /nfs/dbraw/zinc/80/50/81/673805081.db2.gz NYPKRDPIYRSIQM-VXGBXAGGSA-N 2 2 335.408 -1.018 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391278 673811587 /nfs/dbraw/zinc/81/15/87/673811587.db2.gz CGPQBEANKCBRIG-UHFFFAOYSA-N 2 2 349.435 -1.006 20 0 EAADLP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001045391628 673811619 /nfs/dbraw/zinc/81/16/19/673811619.db2.gz ILRTYXJQNCMTIZ-UHFFFAOYSA-N 2 2 335.408 -1.017 20 0 EAADLP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001045392351 673811989 /nfs/dbraw/zinc/81/19/89/673811989.db2.gz SXMAFUOHKFSSSR-UHFFFAOYSA-N 2 2 335.408 -1.086 20 0 EAADLP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001045392568 673811870 /nfs/dbraw/zinc/81/18/70/673811870.db2.gz YFDBCGREEYGXIY-UHFFFAOYSA-N 2 2 335.408 -1.017 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413714 673814588 /nfs/dbraw/zinc/81/45/88/673814588.db2.gz XKLPTXAJQDVRAB-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713794 673840091 /nfs/dbraw/zinc/84/00/91/673840091.db2.gz QGALUOCLXXLPKD-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045714012 673840035 /nfs/dbraw/zinc/84/00/35/673840035.db2.gz VLDBRQPXYXJJDX-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046014326 673847676 /nfs/dbraw/zinc/84/76/76/673847676.db2.gz VECNKBJKMVLRPB-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)C1 ZINC001046014326 673847675 /nfs/dbraw/zinc/84/76/75/673847675.db2.gz VECNKBJKMVLRPB-KBPBESRZSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046014326 673847673 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VECNKBJKMVLRPB-KGLIPLIRSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046014328 673847906 /nfs/dbraw/zinc/84/79/06/673847906.db2.gz VECNKBJKMVLRPB-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)C1 ZINC001046014328 673847904 /nfs/dbraw/zinc/84/79/04/673847904.db2.gz VECNKBJKMVLRPB-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046014328 673847902 /nfs/dbraw/zinc/84/79/02/673847902.db2.gz VECNKBJKMVLRPB-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046014328 673847901 /nfs/dbraw/zinc/84/79/01/673847901.db2.gz VECNKBJKMVLRPB-UONOGXRCSA-N 2 2 339.440 -1.979 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046014329 673847751 /nfs/dbraw/zinc/84/77/51/673847751.db2.gz VECNKBJKMVLRPB-ZIAGYGMSSA-N 2 2 339.440 -1.979 20 0 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C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001046677037 673889068 /nfs/dbraw/zinc/88/90/68/673889068.db2.gz NWRKEICUHJHCAI-CYBMUJFWSA-N 2 2 349.435 -1.006 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001046677038 673888884 /nfs/dbraw/zinc/88/88/84/673888884.db2.gz NWRKEICUHJHCAI-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001046677038 673888879 /nfs/dbraw/zinc/88/88/79/673888879.db2.gz NWRKEICUHJHCAI-ZDUSSCGKSA-N 2 2 349.435 -1.006 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001046683611 673889596 /nfs/dbraw/zinc/88/95/96/673889596.db2.gz CPEJXYPJZPRRPQ-GXTWGEPZSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001046683611 673889592 /nfs/dbraw/zinc/88/95/92/673889592.db2.gz CPEJXYPJZPRRPQ-GXTWGEPZSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 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/nfs/dbraw/zinc/88/97/52/673889752.db2.gz CPEJXYPJZPRRPQ-TZMCWYRMSA-N 2 2 349.435 -1.150 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001046683894 673890039 /nfs/dbraw/zinc/89/00/39/673890039.db2.gz DLWGFRRESQEQHO-NEPJUHHUSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001046683894 673890035 /nfs/dbraw/zinc/89/00/35/673890035.db2.gz DLWGFRRESQEQHO-NEPJUHHUSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001046683900 673889873 /nfs/dbraw/zinc/88/98/73/673889873.db2.gz DLWGFRRESQEQHO-NWDGAFQWSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001046683900 673889869 /nfs/dbraw/zinc/88/98/69/673889869.db2.gz DLWGFRRESQEQHO-NWDGAFQWSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001046683901 673889989 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BFNZQPDGDGOJGC-AWEZNQCLSA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001047176439 673927650 /nfs/dbraw/zinc/92/76/50/673927650.db2.gz BFNZQPDGDGOJGC-CQSZACIVSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001047176481 673927443 /nfs/dbraw/zinc/92/74/43/673927443.db2.gz CIXALFPRRGYBOI-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001047176481 673927441 /nfs/dbraw/zinc/92/74/41/673927441.db2.gz CIXALFPRRGYBOI-GFCCVEGCSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001047176482 673927294 /nfs/dbraw/zinc/92/72/94/673927294.db2.gz CIXALFPRRGYBOI-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001047176482 673927291 /nfs/dbraw/zinc/92/72/91/673927291.db2.gz CIXALFPRRGYBOI-LBPRGKRZSA-N 2 2 335.408 -1.017 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047176950 673928323 /nfs/dbraw/zinc/92/83/23/673928323.db2.gz KUZVEJLZUFZJCT-UHFFFAOYSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177027 673927986 /nfs/dbraw/zinc/92/79/86/673927986.db2.gz MDUWRLHOLMMTIO-AAEUAGOBSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177027 673927983 /nfs/dbraw/zinc/92/79/83/673927983.db2.gz MDUWRLHOLMMTIO-AAEUAGOBSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177028 673928099 /nfs/dbraw/zinc/92/80/99/673928099.db2.gz MDUWRLHOLMMTIO-DGCLKSJQSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177028 673928098 /nfs/dbraw/zinc/92/80/98/673928098.db2.gz MDUWRLHOLMMTIO-DGCLKSJQSA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177029 673928264 /nfs/dbraw/zinc/92/82/64/673928264.db2.gz MDUWRLHOLMMTIO-WCQYABFASA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177029 673928261 /nfs/dbraw/zinc/92/82/61/673928261.db2.gz MDUWRLHOLMMTIO-WCQYABFASA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177103 673928092 /nfs/dbraw/zinc/92/80/92/673928092.db2.gz MDUWRLHOLMMTIO-YPMHNXCESA-N 2 2 335.408 -1.161 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177103 673928090 /nfs/dbraw/zinc/92/80/90/673928090.db2.gz MDUWRLHOLMMTIO-YPMHNXCESA-N 2 2 335.408 -1.161 20 0 EAADLP C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047177106 673928306 /nfs/dbraw/zinc/92/83/06/673928306.db2.gz MGIHNICMOYZODJ-UHFFFAOYSA-N 2 2 335.408 -1.017 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001047182535 673929057 /nfs/dbraw/zinc/92/90/57/673929057.db2.gz BIRFATJQAOMQBX-DGCLKSJQSA-N 2 2 335.408 -1.018 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001047182535 673929053 /nfs/dbraw/zinc/92/90/53/673929053.db2.gz BIRFATJQAOMQBX-DGCLKSJQSA-N 2 2 335.408 -1.018 20 0 EAADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324330 673934368 /nfs/dbraw/zinc/93/43/68/673934368.db2.gz OMLRSDBJTUJXFE-IHRRRGAJSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324330 673934365 /nfs/dbraw/zinc/93/43/65/673934365.db2.gz OMLRSDBJTUJXFE-IHRRRGAJSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324330 673934363 /nfs/dbraw/zinc/93/43/63/673934363.db2.gz OMLRSDBJTUJXFE-IHRRRGAJSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324330 673934360 /nfs/dbraw/zinc/93/43/60/673934360.db2.gz OMLRSDBJTUJXFE-IHRRRGAJSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324331 673934136 /nfs/dbraw/zinc/93/41/36/673934136.db2.gz OMLRSDBJTUJXFE-RDBSUJKOSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324331 673934135 /nfs/dbraw/zinc/93/41/35/673934135.db2.gz OMLRSDBJTUJXFE-RDBSUJKOSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324331 673934132 /nfs/dbraw/zinc/93/41/32/673934132.db2.gz OMLRSDBJTUJXFE-RDBSUJKOSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047324331 673934129 /nfs/dbraw/zinc/93/41/29/673934129.db2.gz OMLRSDBJTUJXFE-RDBSUJKOSA-N 2 2 339.440 -1.391 20 0 EAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047333454 673935222 /nfs/dbraw/zinc/93/52/22/673935222.db2.gz FHDMPSFPKOHRQK-IHRRRGAJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047333454 673935221 /nfs/dbraw/zinc/93/52/21/673935221.db2.gz FHDMPSFPKOHRQK-IHRRRGAJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047333454 673935218 /nfs/dbraw/zinc/93/52/18/673935218.db2.gz FHDMPSFPKOHRQK-IHRRRGAJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047333454 673935215 /nfs/dbraw/zinc/93/52/15/673935215.db2.gz FHDMPSFPKOHRQK-IHRRRGAJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047333455 673934931 /nfs/dbraw/zinc/93/49/31/673934931.db2.gz FHDMPSFPKOHRQK-MELADBBJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047333455 673934928 /nfs/dbraw/zinc/93/49/28/673934928.db2.gz FHDMPSFPKOHRQK-MELADBBJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047333455 673934925 /nfs/dbraw/zinc/93/49/25/673934925.db2.gz FHDMPSFPKOHRQK-MELADBBJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047333455 673934923 /nfs/dbraw/zinc/93/49/23/673934923.db2.gz FHDMPSFPKOHRQK-MELADBBJSA-N 2 2 338.412 -1.888 20 0 EAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001047333613 673935480 /nfs/dbraw/zinc/93/54/80/673935480.db2.gz LYHIFVDTQVSKLZ-KKUMJFAQSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001047333613 673935479 /nfs/dbraw/zinc/93/54/79/673935479.db2.gz LYHIFVDTQVSKLZ-KKUMJFAQSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047333613 673935478 /nfs/dbraw/zinc/93/54/78/673935478.db2.gz LYHIFVDTQVSKLZ-KKUMJFAQSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047333613 673935476 /nfs/dbraw/zinc/93/54/76/673935476.db2.gz LYHIFVDTQVSKLZ-KKUMJFAQSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001047333614 673935518 /nfs/dbraw/zinc/93/55/18/673935518.db2.gz LYHIFVDTQVSKLZ-SOUVJXGZSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001047333614 673935517 /nfs/dbraw/zinc/93/55/17/673935517.db2.gz LYHIFVDTQVSKLZ-SOUVJXGZSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047333614 673935516 /nfs/dbraw/zinc/93/55/16/673935516.db2.gz LYHIFVDTQVSKLZ-SOUVJXGZSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047333614 673935515 /nfs/dbraw/zinc/93/55/15/673935515.db2.gz LYHIFVDTQVSKLZ-SOUVJXGZSA-N 2 2 337.424 -1.283 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381417 673941467 /nfs/dbraw/zinc/94/14/67/673941467.db2.gz LHYFAYZDBGRHIH-ILXRZTDVSA-N 2 2 338.452 -1.080 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381417 673941465 /nfs/dbraw/zinc/94/14/65/673941465.db2.gz LHYFAYZDBGRHIH-ILXRZTDVSA-N 2 2 338.452 -1.080 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381418 673941407 /nfs/dbraw/zinc/94/14/07/673941407.db2.gz LHYFAYZDBGRHIH-KKUMJFAQSA-N 2 2 338.452 -1.080 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381418 673941406 /nfs/dbraw/zinc/94/14/06/673941406.db2.gz LHYFAYZDBGRHIH-KKUMJFAQSA-N 2 2 338.452 -1.080 20 0 EAADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001047384582 673942138 /nfs/dbraw/zinc/94/21/38/673942138.db2.gz AZUZAIIIXDEXNF-MQYQWHSLSA-N 2 2 326.441 -1.082 20 0 EAADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001047384582 673942135 /nfs/dbraw/zinc/94/21/35/673942135.db2.gz AZUZAIIIXDEXNF-MQYQWHSLSA-N 2 2 326.441 -1.082 20 0 EAADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001047384582 673942132 /nfs/dbraw/zinc/94/21/32/673942132.db2.gz AZUZAIIIXDEXNF-MQYQWHSLSA-N 2 2 326.441 -1.082 20 0 EAADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001047384582 673942129 /nfs/dbraw/zinc/94/21/29/673942129.db2.gz AZUZAIIIXDEXNF-MQYQWHSLSA-N 2 2 326.441 -1.082 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)CC[NH+]1C ZINC001047386527 673942252 /nfs/dbraw/zinc/94/22/52/673942252.db2.gz YTIHOIRUWDPOPU-CRWXNKLISA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)CC[NH+]1C ZINC001047386527 673942251 /nfs/dbraw/zinc/94/22/51/673942251.db2.gz YTIHOIRUWDPOPU-CRWXNKLISA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CC(=O)NC)C[C@@H]2O)CC[N@H+]1C ZINC001047386527 673942249 /nfs/dbraw/zinc/94/22/49/673942249.db2.gz YTIHOIRUWDPOPU-CRWXNKLISA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CC(=O)NC)C[C@@H]2O)CC[N@@H+]1C ZINC001047386527 673942248 /nfs/dbraw/zinc/94/22/48/673942248.db2.gz YTIHOIRUWDPOPU-CRWXNKLISA-N 2 2 326.441 -1.034 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047458279 673952902 /nfs/dbraw/zinc/95/29/02/673952902.db2.gz JHNHPORORGUOOH-KBPBESRZSA-N 2 2 333.396 -1.013 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047458279 673952899 /nfs/dbraw/zinc/95/28/99/673952899.db2.gz JHNHPORORGUOOH-KBPBESRZSA-N 2 2 333.396 -1.013 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047458490 673952891 /nfs/dbraw/zinc/95/28/91/673952891.db2.gz PXYKJMBKASEDTG-IHRRRGAJSA-N 2 2 335.408 -1.074 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047458490 673952887 /nfs/dbraw/zinc/95/28/87/673952887.db2.gz PXYKJMBKASEDTG-IHRRRGAJSA-N 2 2 335.408 -1.074 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047458491 673952964 /nfs/dbraw/zinc/95/29/64/673952964.db2.gz PXYKJMBKASEDTG-RDBSUJKOSA-N 2 2 335.408 -1.074 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047458491 673952961 /nfs/dbraw/zinc/95/29/61/673952961.db2.gz PXYKJMBKASEDTG-RDBSUJKOSA-N 2 2 335.408 -1.074 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047458970 673952683 /nfs/dbraw/zinc/95/26/83/673952683.db2.gz IYWXLHRUEDENOG-AGIUHOORSA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047458970 673952680 /nfs/dbraw/zinc/95/26/80/673952680.db2.gz IYWXLHRUEDENOG-AGIUHOORSA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047458971 673952638 /nfs/dbraw/zinc/95/26/38/673952638.db2.gz IYWXLHRUEDENOG-AVGNSLFASA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047458971 673952636 /nfs/dbraw/zinc/95/26/36/673952636.db2.gz IYWXLHRUEDENOG-AVGNSLFASA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047458993 673953015 /nfs/dbraw/zinc/95/30/15/673953015.db2.gz KIRKNYRUSVLPLY-KBPBESRZSA-N 2 2 335.408 -1.073 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047458993 673953014 /nfs/dbraw/zinc/95/30/14/673953014.db2.gz KIRKNYRUSVLPLY-KBPBESRZSA-N 2 2 335.408 -1.073 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047459758 673953083 /nfs/dbraw/zinc/95/30/83/673953083.db2.gz XYZMOLAPLZYXTG-IHRRRGAJSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047459758 673953082 /nfs/dbraw/zinc/95/30/82/673953082.db2.gz XYZMOLAPLZYXTG-IHRRRGAJSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047459761 673952870 /nfs/dbraw/zinc/95/28/70/673952870.db2.gz XYZMOLAPLZYXTG-RDBSUJKOSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047459761 673952868 /nfs/dbraw/zinc/95/28/68/673952868.db2.gz XYZMOLAPLZYXTG-RDBSUJKOSA-N 2 2 335.408 -1.026 20 0 EAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483645 673956630 /nfs/dbraw/zinc/95/66/30/673956630.db2.gz DQASVVARSMYVPY-NDBYEHHHSA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483645 673956628 /nfs/dbraw/zinc/95/66/28/673956628.db2.gz DQASVVARSMYVPY-NDBYEHHHSA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483645 673956626 /nfs/dbraw/zinc/95/66/26/673956626.db2.gz DQASVVARSMYVPY-NDBYEHHHSA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483645 673956624 /nfs/dbraw/zinc/95/66/24/673956624.db2.gz DQASVVARSMYVPY-NDBYEHHHSA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483646 673956725 /nfs/dbraw/zinc/95/67/25/673956725.db2.gz DQASVVARSMYVPY-RNJOBUHISA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483646 673956722 /nfs/dbraw/zinc/95/67/22/673956722.db2.gz DQASVVARSMYVPY-RNJOBUHISA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483646 673956720 /nfs/dbraw/zinc/95/67/20/673956720.db2.gz DQASVVARSMYVPY-RNJOBUHISA-N 2 2 338.408 -1.611 20 0 EAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047483646 673956717 /nfs/dbraw/zinc/95/67/17/673956717.db2.gz DQASVVARSMYVPY-RNJOBUHISA-N 2 2 338.408 -1.611 20 0 EAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047500758 673958940 /nfs/dbraw/zinc/95/89/40/673958940.db2.gz HVNPFWJDZRQZPT-XUXIUFHCSA-N 2 2 326.441 -1.034 20 0 EAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047500758 673958939 /nfs/dbraw/zinc/95/89/39/673958939.db2.gz HVNPFWJDZRQZPT-XUXIUFHCSA-N 2 2 326.441 -1.034 20 0 EAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500758 673958936 /nfs/dbraw/zinc/95/89/36/673958936.db2.gz HVNPFWJDZRQZPT-XUXIUFHCSA-N 2 2 326.441 -1.034 20 0 EAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500758 673958932 /nfs/dbraw/zinc/95/89/32/673958932.db2.gz HVNPFWJDZRQZPT-XUXIUFHCSA-N 2 2 326.441 -1.034 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511748 673961338 /nfs/dbraw/zinc/96/13/38/673961338.db2.gz QKSOOUMTLKYICA-KBPBESRZSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511748 673961336 /nfs/dbraw/zinc/96/13/36/673961336.db2.gz QKSOOUMTLKYICA-KBPBESRZSA-N 2 2 326.441 -1.080 20 0 EAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513729 673961358 /nfs/dbraw/zinc/96/13/58/673961358.db2.gz LSRLWYZBKZZLJZ-UBHSHLNASA-N 2 2 326.441 -1.034 20 0 EAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513729 673961356 /nfs/dbraw/zinc/96/13/56/673961356.db2.gz LSRLWYZBKZZLJZ-UBHSHLNASA-N 2 2 326.441 -1.034 20 0 EAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513730 673961266 /nfs/dbraw/zinc/96/12/66/673961266.db2.gz LSRLWYZBKZZLJZ-XBFCOCLRSA-N 2 2 326.441 -1.034 20 0 EAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513730 673961264 /nfs/dbraw/zinc/96/12/64/673961264.db2.gz LSRLWYZBKZZLJZ-XBFCOCLRSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527280 673962714 /nfs/dbraw/zinc/96/27/14/673962714.db2.gz AURSQGXZJYSXKX-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527280 673962711 /nfs/dbraw/zinc/96/27/11/673962711.db2.gz AURSQGXZJYSXKX-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527280 673962709 /nfs/dbraw/zinc/96/27/09/673962709.db2.gz AURSQGXZJYSXKX-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527281 673962614 /nfs/dbraw/zinc/96/26/14/673962614.db2.gz AURSQGXZJYSXKX-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527281 673962611 /nfs/dbraw/zinc/96/26/11/673962611.db2.gz AURSQGXZJYSXKX-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527281 673962610 /nfs/dbraw/zinc/96/26/10/673962610.db2.gz AURSQGXZJYSXKX-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001047544519 673963644 /nfs/dbraw/zinc/96/36/44/673963644.db2.gz CRJILMFZVZFONQ-ILXRZTDVSA-N 2 2 348.407 -1.287 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001047544519 673963643 /nfs/dbraw/zinc/96/36/43/673963643.db2.gz CRJILMFZVZFONQ-ILXRZTDVSA-N 2 2 348.407 -1.287 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001047544521 673963653 /nfs/dbraw/zinc/96/36/53/673963653.db2.gz CRJILMFZVZFONQ-KKUMJFAQSA-N 2 2 348.407 -1.287 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001047544521 673963652 /nfs/dbraw/zinc/96/36/52/673963652.db2.gz CRJILMFZVZFONQ-KKUMJFAQSA-N 2 2 348.407 -1.287 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047544745 673964055 /nfs/dbraw/zinc/96/40/55/673964055.db2.gz IQXBCIPBGGPRQV-STQMWFEESA-N 2 2 336.396 -1.519 20 0 EAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047544745 673964053 /nfs/dbraw/zinc/96/40/53/673964053.db2.gz IQXBCIPBGGPRQV-STQMWFEESA-N 2 2 336.396 -1.519 20 0 EAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553406 673964639 /nfs/dbraw/zinc/96/46/39/673964639.db2.gz DSTMOCOKBPLIMS-KBPBESRZSA-N 2 2 326.441 -1.032 20 0 EAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553406 673964638 /nfs/dbraw/zinc/96/46/38/673964638.db2.gz DSTMOCOKBPLIMS-KBPBESRZSA-N 2 2 326.441 -1.032 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047596706 673970067 /nfs/dbraw/zinc/97/00/67/673970067.db2.gz XXXBJRSDLWMWBO-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047596706 673970065 /nfs/dbraw/zinc/97/00/65/673970065.db2.gz XXXBJRSDLWMWBO-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596706 673970063 /nfs/dbraw/zinc/97/00/63/673970063.db2.gz XXXBJRSDLWMWBO-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596706 673970060 /nfs/dbraw/zinc/97/00/60/673970060.db2.gz XXXBJRSDLWMWBO-IHRRRGAJSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047596707 673970227 /nfs/dbraw/zinc/97/02/27/673970227.db2.gz XXXBJRSDLWMWBO-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047596707 673970226 /nfs/dbraw/zinc/97/02/26/673970226.db2.gz XXXBJRSDLWMWBO-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596707 673970225 /nfs/dbraw/zinc/97/02/25/673970225.db2.gz XXXBJRSDLWMWBO-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596707 673970223 /nfs/dbraw/zinc/97/02/23/673970223.db2.gz XXXBJRSDLWMWBO-RDBSUJKOSA-N 2 2 326.441 -1.080 20 0 EAADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047598177 673970921 /nfs/dbraw/zinc/97/09/21/673970921.db2.gz YUZDWQWADHQKOE-KBPBESRZSA-N 2 2 333.396 -1.242 20 0 EAADLP 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Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047630404 673974763 /nfs/dbraw/zinc/97/47/63/673974763.db2.gz QEOQDGIGXLSAGY-AGIUHOORSA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047630407 673974842 /nfs/dbraw/zinc/97/48/42/673974842.db2.gz QEOQDGIGXLSAGY-AVGNSLFASA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047630407 673974840 /nfs/dbraw/zinc/97/48/40/673974840.db2.gz QEOQDGIGXLSAGY-AVGNSLFASA-N 2 2 349.391 -1.500 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047630647 673975162 /nfs/dbraw/zinc/97/51/62/673975162.db2.gz WMSHNNDMRFLDMH-KBPBESRZSA-N 2 2 335.408 -1.073 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047630647 673975160 /nfs/dbraw/zinc/97/51/60/673975160.db2.gz WMSHNNDMRFLDMH-KBPBESRZSA-N 2 2 335.408 -1.073 20 0 EAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001047646298 673976341 /nfs/dbraw/zinc/97/63/41/673976341.db2.gz DYVLOQZHHBYQAF-STQMWFEESA-N 2 2 349.391 -1.464 20 0 EAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001047646298 673976340 /nfs/dbraw/zinc/97/63/40/673976340.db2.gz DYVLOQZHHBYQAF-STQMWFEESA-N 2 2 349.391 -1.464 20 0 EAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047646903 673976317 /nfs/dbraw/zinc/97/63/17/673976317.db2.gz PEBLHDGLMOWDNC-STQMWFEESA-N 2 2 336.396 -1.588 20 0 EAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047646903 673976316 /nfs/dbraw/zinc/97/63/16/673976316.db2.gz PEBLHDGLMOWDNC-STQMWFEESA-N 2 2 336.396 -1.588 20 0 EAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001047647242 673976368 /nfs/dbraw/zinc/97/63/68/673976368.db2.gz RYOKZVMQGMZIPT-ILXRZTDVSA-N 2 2 348.407 -1.356 20 0 EAADLP 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C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001048739025 674023524 /nfs/dbraw/zinc/02/35/24/674023524.db2.gz FAJYKPGZSJKGQD-HZSPNIEDSA-N 2 2 345.465 -1.248 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001048739025 674023521 /nfs/dbraw/zinc/02/35/21/674023521.db2.gz FAJYKPGZSJKGQD-HZSPNIEDSA-N 2 2 345.465 -1.248 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001048739027 674023575 /nfs/dbraw/zinc/02/35/75/674023575.db2.gz FAJYKPGZSJKGQD-MJBXVCDLSA-N 2 2 345.465 -1.248 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001048739027 674023572 /nfs/dbraw/zinc/02/35/72/674023572.db2.gz FAJYKPGZSJKGQD-MJBXVCDLSA-N 2 2 345.465 -1.248 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001048739027 674023571 /nfs/dbraw/zinc/02/35/71/674023571.db2.gz FAJYKPGZSJKGQD-MJBXVCDLSA-N 2 2 345.465 -1.248 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001048739027 674023566 /nfs/dbraw/zinc/02/35/66/674023566.db2.gz FAJYKPGZSJKGQD-MJBXVCDLSA-N 2 2 345.465 -1.248 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739062 674023625 /nfs/dbraw/zinc/02/36/25/674023625.db2.gz FRPWUDSQRVZIFK-QLFBSQMISA-N 2 2 336.436 -1.061 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739062 674023623 /nfs/dbraw/zinc/02/36/23/674023623.db2.gz FRPWUDSQRVZIFK-QLFBSQMISA-N 2 2 336.436 -1.061 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739062 674023622 /nfs/dbraw/zinc/02/36/22/674023622.db2.gz FRPWUDSQRVZIFK-QLFBSQMISA-N 2 2 336.436 -1.061 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739062 674023620 /nfs/dbraw/zinc/02/36/20/674023620.db2.gz FRPWUDSQRVZIFK-QLFBSQMISA-N 2 2 336.436 -1.061 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739064 674023714 /nfs/dbraw/zinc/02/37/14/674023714.db2.gz FRPWUDSQRVZIFK-ZNMIVQPWSA-N 2 2 336.436 -1.061 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739064 674023713 /nfs/dbraw/zinc/02/37/13/674023713.db2.gz FRPWUDSQRVZIFK-ZNMIVQPWSA-N 2 2 336.436 -1.061 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739064 674023712 /nfs/dbraw/zinc/02/37/12/674023712.db2.gz FRPWUDSQRVZIFK-ZNMIVQPWSA-N 2 2 336.436 -1.061 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001048739064 674023711 /nfs/dbraw/zinc/02/37/11/674023711.db2.gz FRPWUDSQRVZIFK-ZNMIVQPWSA-N 2 2 336.436 -1.061 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739658 674023609 /nfs/dbraw/zinc/02/36/09/674023609.db2.gz MYGIUTLRJQYQQF-GUTXKFCHSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739658 674023607 /nfs/dbraw/zinc/02/36/07/674023607.db2.gz MYGIUTLRJQYQQF-GUTXKFCHSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739658 674023605 /nfs/dbraw/zinc/02/36/05/674023605.db2.gz MYGIUTLRJQYQQF-GUTXKFCHSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739658 674023602 /nfs/dbraw/zinc/02/36/02/674023602.db2.gz MYGIUTLRJQYQQF-GUTXKFCHSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739659 674023692 /nfs/dbraw/zinc/02/36/92/674023692.db2.gz MYGIUTLRJQYQQF-VNHYZAJKSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739659 674023691 /nfs/dbraw/zinc/02/36/91/674023691.db2.gz MYGIUTLRJQYQQF-VNHYZAJKSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739659 674023690 /nfs/dbraw/zinc/02/36/90/674023690.db2.gz MYGIUTLRJQYQQF-VNHYZAJKSA-N 2 2 336.436 -1.014 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001048739659 674023689 /nfs/dbraw/zinc/02/36/89/674023689.db2.gz MYGIUTLRJQYQQF-VNHYZAJKSA-N 2 2 336.436 -1.014 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048862412 674038618 /nfs/dbraw/zinc/03/86/18/674038618.db2.gz VKFKSXCUHZMASN-HZSPNIEDSA-N 2 2 334.424 -1.311 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048862412 674038616 /nfs/dbraw/zinc/03/86/16/674038616.db2.gz VKFKSXCUHZMASN-HZSPNIEDSA-N 2 2 334.424 -1.311 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048862414 674038264 /nfs/dbraw/zinc/03/82/64/674038264.db2.gz VKFKSXCUHZMASN-MJBXVCDLSA-N 2 2 334.424 -1.311 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048862414 674038259 /nfs/dbraw/zinc/03/82/59/674038259.db2.gz VKFKSXCUHZMASN-MJBXVCDLSA-N 2 2 334.424 -1.311 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049082186 674066390 /nfs/dbraw/zinc/06/63/90/674066390.db2.gz FXQSADYPEPNCTK-TXEJJXNPSA-N 2 2 346.391 -1.106 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049082186 674066386 /nfs/dbraw/zinc/06/63/86/674066386.db2.gz FXQSADYPEPNCTK-TXEJJXNPSA-N 2 2 346.391 -1.106 20 0 EAADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049111580 674068121 /nfs/dbraw/zinc/06/81/21/674068121.db2.gz NYCIUAUPDOQZSM-KBPBESRZSA-N 2 2 337.424 -1.056 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049131915 674071685 /nfs/dbraw/zinc/07/16/85/674071685.db2.gz UTKWAIVWBBFGQQ-TXEJJXNPSA-N 2 2 346.391 -1.106 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049131915 674071682 /nfs/dbraw/zinc/07/16/82/674071682.db2.gz UTKWAIVWBBFGQQ-TXEJJXNPSA-N 2 2 346.391 -1.106 20 0 EAADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049225104 674081175 /nfs/dbraw/zinc/08/11/75/674081175.db2.gz BVQUSVZLKACBBG-IJEWVQPXSA-N 2 2 336.436 -1.027 20 0 EAADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049225104 674081174 /nfs/dbraw/zinc/08/11/74/674081174.db2.gz BVQUSVZLKACBBG-IJEWVQPXSA-N 2 2 336.436 -1.027 20 0 EAADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049225106 674081215 /nfs/dbraw/zinc/08/12/15/674081215.db2.gz BVQUSVZLKACBBG-LZWOXQAQSA-N 2 2 336.436 -1.027 20 0 EAADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049225106 674081214 /nfs/dbraw/zinc/08/12/14/674081214.db2.gz BVQUSVZLKACBBG-LZWOXQAQSA-N 2 2 336.436 -1.027 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049248158 674082423 /nfs/dbraw/zinc/08/24/23/674082423.db2.gz OVWVDWCCPNENRV-BETUJISGSA-N 2 2 346.391 -1.175 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049248158 674082422 /nfs/dbraw/zinc/08/24/22/674082422.db2.gz OVWVDWCCPNENRV-BETUJISGSA-N 2 2 346.391 -1.175 20 0 EAADLP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049434847 674089637 /nfs/dbraw/zinc/08/96/37/674089637.db2.gz GBOOWOXZDJUHTE-KBPBESRZSA-N 2 2 337.424 -1.056 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)nc1=O ZINC001051493037 672801030 /nfs/dbraw/zinc/80/10/30/672801030.db2.gz GIFUSKLRVZGYGR-NEPJUHHUSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)nc1=O ZINC001051493037 672801023 /nfs/dbraw/zinc/80/10/23/672801023.db2.gz GIFUSKLRVZGYGR-NEPJUHHUSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CCO2)nc1=O ZINC001051493038 672801287 /nfs/dbraw/zinc/80/12/87/672801287.db2.gz GIFUSKLRVZGYGR-NWDGAFQWSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)nc1=O ZINC001051493038 672801283 /nfs/dbraw/zinc/80/12/83/672801283.db2.gz GIFUSKLRVZGYGR-NWDGAFQWSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)nc1=O ZINC001051493039 672801309 /nfs/dbraw/zinc/80/13/09/672801309.db2.gz GIFUSKLRVZGYGR-RYUDHWBXSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)nc1=O ZINC001051493039 672801306 /nfs/dbraw/zinc/80/13/06/672801306.db2.gz GIFUSKLRVZGYGR-RYUDHWBXSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CCO2)nc1=O ZINC001051493040 672801267 /nfs/dbraw/zinc/80/12/67/672801267.db2.gz GIFUSKLRVZGYGR-VXGBXAGGSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)nc1=O ZINC001051493040 672801262 /nfs/dbraw/zinc/80/12/62/672801262.db2.gz GIFUSKLRVZGYGR-VXGBXAGGSA-N 2 2 338.412 -1.480 20 0 EAADLP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)nn1 ZINC001051513592 672803943 /nfs/dbraw/zinc/80/39/43/672803943.db2.gz CQIKCPKDYPCNCG-KBPBESRZSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)nn1 ZINC001051513592 672803938 /nfs/dbraw/zinc/80/39/38/672803938.db2.gz CQIKCPKDYPCNCG-KBPBESRZSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)nn1 ZINC001051513594 672804048 /nfs/dbraw/zinc/80/40/48/672804048.db2.gz CQIKCPKDYPCNCG-KGLIPLIRSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)nn1 ZINC001051513594 672804041 /nfs/dbraw/zinc/80/40/41/672804041.db2.gz CQIKCPKDYPCNCG-KGLIPLIRSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)nn1 ZINC001051513596 672803760 /nfs/dbraw/zinc/80/37/60/672803760.db2.gz CQIKCPKDYPCNCG-UONOGXRCSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)nn1 ZINC001051513596 672803755 /nfs/dbraw/zinc/80/37/55/672803755.db2.gz CQIKCPKDYPCNCG-UONOGXRCSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)nn1 ZINC001051513598 672804167 /nfs/dbraw/zinc/80/41/67/672804167.db2.gz CQIKCPKDYPCNCG-ZIAGYGMSSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)nn1 ZINC001051513598 672804165 /nfs/dbraw/zinc/80/41/65/672804165.db2.gz CQIKCPKDYPCNCG-ZIAGYGMSSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514362 672804389 /nfs/dbraw/zinc/80/43/89/672804389.db2.gz IKAHLGLXYYBEJE-KBPBESRZSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514362 672804385 /nfs/dbraw/zinc/80/43/85/672804385.db2.gz IKAHLGLXYYBEJE-KBPBESRZSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514364 672803839 /nfs/dbraw/zinc/80/38/39/672803839.db2.gz IKAHLGLXYYBEJE-KGLIPLIRSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514364 672803832 /nfs/dbraw/zinc/80/38/32/672803832.db2.gz IKAHLGLXYYBEJE-KGLIPLIRSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514365 672804293 /nfs/dbraw/zinc/80/42/93/672804293.db2.gz IKAHLGLXYYBEJE-UONOGXRCSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514365 672804288 /nfs/dbraw/zinc/80/42/88/672804288.db2.gz IKAHLGLXYYBEJE-UONOGXRCSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514367 672803866 /nfs/dbraw/zinc/80/38/66/672803866.db2.gz IKAHLGLXYYBEJE-ZIAGYGMSSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514367 672803859 /nfs/dbraw/zinc/80/38/59/672803859.db2.gz IKAHLGLXYYBEJE-ZIAGYGMSSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514706 672804280 /nfs/dbraw/zinc/80/42/80/672804280.db2.gz LMJWIFCRNSETOD-CHWSQXEVSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514706 672804274 /nfs/dbraw/zinc/80/42/74/672804274.db2.gz LMJWIFCRNSETOD-CHWSQXEVSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514707 672803977 /nfs/dbraw/zinc/80/39/77/672803977.db2.gz LMJWIFCRNSETOD-OLZOCXBDSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514707 672803971 /nfs/dbraw/zinc/80/39/71/672803971.db2.gz LMJWIFCRNSETOD-OLZOCXBDSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514708 672804132 /nfs/dbraw/zinc/80/41/32/672804132.db2.gz LMJWIFCRNSETOD-QWHCGFSZSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514708 672804131 /nfs/dbraw/zinc/80/41/31/672804131.db2.gz LMJWIFCRNSETOD-QWHCGFSZSA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001051514709 672804413 /nfs/dbraw/zinc/80/44/13/672804413.db2.gz LMJWIFCRNSETOD-STQMWFEESA-N 2 2 338.412 -1.537 20 0 EAADLP Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001051514709 672804408 /nfs/dbraw/zinc/80/44/08/672804408.db2.gz LMJWIFCRNSETOD-STQMWFEESA-N 2 2 338.412 -1.537 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051581603 672810145 /nfs/dbraw/zinc/81/01/45/672810145.db2.gz JTIBPLGZAGRQHR-NEPJUHHUSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051581604 672810185 /nfs/dbraw/zinc/81/01/85/672810185.db2.gz JTIBPLGZAGRQHR-NWDGAFQWSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051581605 672809864 /nfs/dbraw/zinc/80/98/64/672809864.db2.gz JTIBPLGZAGRQHR-RYUDHWBXSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051581606 672810296 /nfs/dbraw/zinc/81/02/96/672810296.db2.gz JTIBPLGZAGRQHR-VXGBXAGGSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051647734 672818854 /nfs/dbraw/zinc/81/88/54/672818854.db2.gz BOEKMGXBNGELOO-CHWSQXEVSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051647734 672818852 /nfs/dbraw/zinc/81/88/52/672818852.db2.gz BOEKMGXBNGELOO-CHWSQXEVSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051647736 672818727 /nfs/dbraw/zinc/81/87/27/672818727.db2.gz BOEKMGXBNGELOO-OLZOCXBDSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051647736 672818722 /nfs/dbraw/zinc/81/87/22/672818722.db2.gz BOEKMGXBNGELOO-OLZOCXBDSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051647738 672818923 /nfs/dbraw/zinc/81/89/23/672818923.db2.gz BOEKMGXBNGELOO-QWHCGFSZSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051647738 672818920 /nfs/dbraw/zinc/81/89/20/672818920.db2.gz BOEKMGXBNGELOO-QWHCGFSZSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051647740 672819084 /nfs/dbraw/zinc/81/90/84/672819084.db2.gz BOEKMGXBNGELOO-STQMWFEESA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051647740 672819082 /nfs/dbraw/zinc/81/90/82/672819082.db2.gz BOEKMGXBNGELOO-STQMWFEESA-N 2 2 349.391 -1.036 20 0 EAADLP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001051683586 672824542 /nfs/dbraw/zinc/82/45/42/672824542.db2.gz KUIXGWKBTAYAOE-NWDGAFQWSA-N 2 2 340.428 -1.234 20 0 EAADLP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001051683587 672824634 /nfs/dbraw/zinc/82/46/34/672824634.db2.gz KUIXGWKBTAYAOE-VXGBXAGGSA-N 2 2 340.428 -1.234 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051715003 672829677 /nfs/dbraw/zinc/82/96/77/672829677.db2.gz JWLSRQHSTUWHPL-GFCCVEGCSA-N 2 2 349.395 -1.369 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051715005 672829481 /nfs/dbraw/zinc/82/94/81/672829481.db2.gz JWLSRQHSTUWHPL-LBPRGKRZSA-N 2 2 349.395 -1.369 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051715498 672829287 /nfs/dbraw/zinc/82/92/87/672829287.db2.gz OQZYZNNHUBUDGL-GFCCVEGCSA-N 2 2 334.384 -1.268 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051715499 672829531 /nfs/dbraw/zinc/82/95/31/672829531.db2.gz OQZYZNNHUBUDGL-LBPRGKRZSA-N 2 2 334.384 -1.268 20 0 EAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051744426 672833534 /nfs/dbraw/zinc/83/35/34/672833534.db2.gz JLGPUYDEKLLOHS-CHWSQXEVSA-N 2 2 349.391 -1.105 20 0 EAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051744427 672833421 /nfs/dbraw/zinc/83/34/21/672833421.db2.gz JLGPUYDEKLLOHS-OLZOCXBDSA-N 2 2 349.391 -1.105 20 0 EAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051744428 672833711 /nfs/dbraw/zinc/83/37/11/672833711.db2.gz JLGPUYDEKLLOHS-QWHCGFSZSA-N 2 2 349.391 -1.105 20 0 EAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051744429 672833434 /nfs/dbraw/zinc/83/34/34/672833434.db2.gz JLGPUYDEKLLOHS-STQMWFEESA-N 2 2 349.391 -1.105 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)nc1=O ZINC001051745902 672833467 /nfs/dbraw/zinc/83/34/67/672833467.db2.gz XIQHDCZFZLPORG-GFCCVEGCSA-N 2 2 349.395 -1.288 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)nc1=O ZINC001051745903 672833446 /nfs/dbraw/zinc/83/34/46/672833446.db2.gz XIQHDCZFZLPORG-LBPRGKRZSA-N 2 2 349.395 -1.288 20 0 EAADLP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001051830165 672848187 /nfs/dbraw/zinc/84/81/87/672848187.db2.gz KUIXGWKBTAYAOE-NEPJUHHUSA-N 2 2 340.428 -1.234 20 0 EAADLP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001051830166 672847580 /nfs/dbraw/zinc/84/75/80/672847580.db2.gz KUIXGWKBTAYAOE-RYUDHWBXSA-N 2 2 340.428 -1.234 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051848365 672848798 /nfs/dbraw/zinc/84/87/98/672848798.db2.gz PQPXLOWCGJKKKZ-NEPJUHHUSA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051848366 672848859 /nfs/dbraw/zinc/84/88/59/672848859.db2.gz PQPXLOWCGJKKKZ-NWDGAFQWSA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051848367 672848714 /nfs/dbraw/zinc/84/87/14/672848714.db2.gz PQPXLOWCGJKKKZ-RYUDHWBXSA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051848368 672848566 /nfs/dbraw/zinc/84/85/66/672848566.db2.gz PQPXLOWCGJKKKZ-VXGBXAGGSA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051884155 672852344 /nfs/dbraw/zinc/85/23/44/672852344.db2.gz IVYSHRUTDVXKCZ-GHMZBOCLSA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051884156 672852064 /nfs/dbraw/zinc/85/20/64/672852064.db2.gz IVYSHRUTDVXKCZ-MNOVXSKESA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051884157 672852271 /nfs/dbraw/zinc/85/22/71/672852271.db2.gz IVYSHRUTDVXKCZ-QWRGUYRKSA-N 2 2 335.364 -1.426 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051884158 672852564 /nfs/dbraw/zinc/85/25/64/672852564.db2.gz IVYSHRUTDVXKCZ-WDEREUQCSA-N 2 2 335.364 -1.426 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051903087 672854605 /nfs/dbraw/zinc/85/46/05/672854605.db2.gz PDJBMICBIAHBIU-CHWSQXEVSA-N 2 2 349.391 -1.415 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051903089 672854312 /nfs/dbraw/zinc/85/43/12/672854312.db2.gz PDJBMICBIAHBIU-OLZOCXBDSA-N 2 2 349.391 -1.415 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051903090 672854476 /nfs/dbraw/zinc/85/44/76/672854476.db2.gz PDJBMICBIAHBIU-QWHCGFSZSA-N 2 2 349.391 -1.415 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051903092 672854134 /nfs/dbraw/zinc/85/41/34/672854134.db2.gz PDJBMICBIAHBIU-STQMWFEESA-N 2 2 349.391 -1.415 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051919039 672855716 /nfs/dbraw/zinc/85/57/16/672855716.db2.gz VHXCEFRZKGLANN-NEPJUHHUSA-N 2 2 349.391 -1.117 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051919040 672855825 /nfs/dbraw/zinc/85/58/25/672855825.db2.gz VHXCEFRZKGLANN-NWDGAFQWSA-N 2 2 349.391 -1.117 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051919041 672855636 /nfs/dbraw/zinc/85/56/36/672855636.db2.gz VHXCEFRZKGLANN-RYUDHWBXSA-N 2 2 349.391 -1.117 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051919042 672855513 /nfs/dbraw/zinc/85/55/13/672855513.db2.gz VHXCEFRZKGLANN-VXGBXAGGSA-N 2 2 349.391 -1.117 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nc1=O ZINC001051931828 672858997 /nfs/dbraw/zinc/85/89/97/672858997.db2.gz GXHOKSSUJMXTCJ-GFCCVEGCSA-N 2 2 338.412 -1.479 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nc1=O ZINC001051931829 672859352 /nfs/dbraw/zinc/85/93/52/672859352.db2.gz GXHOKSSUJMXTCJ-LBPRGKRZSA-N 2 2 338.412 -1.479 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051933607 672859892 /nfs/dbraw/zinc/85/98/92/672859892.db2.gz JNXQIALUQQPVDV-GFCCVEGCSA-N 2 2 334.384 -1.268 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051933608 672859663 /nfs/dbraw/zinc/85/96/63/672859663.db2.gz JNXQIALUQQPVDV-LBPRGKRZSA-N 2 2 334.384 -1.268 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051934268 672859748 /nfs/dbraw/zinc/85/97/48/672859748.db2.gz NZFPWFICPLELPO-GFCCVEGCSA-N 2 2 349.395 -1.369 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051934270 672859925 /nfs/dbraw/zinc/85/99/25/672859925.db2.gz NZFPWFICPLELPO-LBPRGKRZSA-N 2 2 349.395 -1.369 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)nc1=O ZINC001051948600 672862321 /nfs/dbraw/zinc/86/23/21/672862321.db2.gz ORYVPNPYEREJAM-LLVKDONJSA-N 2 2 335.368 -1.678 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)nc1=O ZINC001051948603 672862227 /nfs/dbraw/zinc/86/22/27/672862227.db2.gz ORYVPNPYEREJAM-NSHDSACASA-N 2 2 335.368 -1.678 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051949016 672862148 /nfs/dbraw/zinc/86/21/48/672862148.db2.gz VDCOVYRQDVLZBN-NEPJUHHUSA-N 2 2 335.364 -1.495 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051949017 672862425 /nfs/dbraw/zinc/86/24/25/672862425.db2.gz VDCOVYRQDVLZBN-NWDGAFQWSA-N 2 2 335.364 -1.495 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051949019 672862399 /nfs/dbraw/zinc/86/23/99/672862399.db2.gz VDCOVYRQDVLZBN-RYUDHWBXSA-N 2 2 335.364 -1.495 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051949021 672862589 /nfs/dbraw/zinc/86/25/89/672862589.db2.gz VDCOVYRQDVLZBN-VXGBXAGGSA-N 2 2 335.364 -1.495 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000626 672866124 /nfs/dbraw/zinc/86/61/24/672866124.db2.gz NQKKOEILMGPUEG-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000626 672866118 /nfs/dbraw/zinc/86/61/18/672866118.db2.gz NQKKOEILMGPUEG-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000630 672865797 /nfs/dbraw/zinc/86/57/97/672865797.db2.gz NQKKOEILMGPUEG-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000630 672865794 /nfs/dbraw/zinc/86/57/94/672865794.db2.gz NQKKOEILMGPUEG-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000632 672865773 /nfs/dbraw/zinc/86/57/73/672865773.db2.gz NQKKOEILMGPUEG-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000632 672865768 /nfs/dbraw/zinc/86/57/68/672865768.db2.gz NQKKOEILMGPUEG-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000634 672865968 /nfs/dbraw/zinc/86/59/68/672865968.db2.gz NQKKOEILMGPUEG-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052000634 672865963 /nfs/dbraw/zinc/86/59/63/672865963.db2.gz NQKKOEILMGPUEG-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)O1 ZINC001052043484 672870560 /nfs/dbraw/zinc/87/05/60/672870560.db2.gz ZRTMSDRQGIESKA-BZUAXINKSA-N 2 2 340.468 -1.084 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)O1 ZINC001052043484 672870556 /nfs/dbraw/zinc/87/05/56/672870556.db2.gz ZRTMSDRQGIESKA-BZUAXINKSA-N 2 2 340.468 -1.084 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)O1 ZINC001052043485 672870350 /nfs/dbraw/zinc/87/03/50/672870350.db2.gz ZRTMSDRQGIESKA-OWCLPIDISA-N 2 2 340.468 -1.084 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)O1 ZINC001052043485 672870345 /nfs/dbraw/zinc/87/03/45/672870345.db2.gz ZRTMSDRQGIESKA-OWCLPIDISA-N 2 2 340.468 -1.084 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052098713 672876484 /nfs/dbraw/zinc/87/64/84/672876484.db2.gz OCLKHKOHKTXGAG-INIZCTEOSA-N 2 2 340.468 -1.081 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052098714 672876626 /nfs/dbraw/zinc/87/66/26/672876626.db2.gz OCLKHKOHKTXGAG-MRXNPFEDSA-N 2 2 340.468 -1.081 20 0 EAADLP NC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109101 672878403 /nfs/dbraw/zinc/87/84/03/672878403.db2.gz WAZVYSQAANNMON-AWEZNQCLSA-N 2 2 335.452 -1.214 20 0 EAADLP NC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109102 672878443 /nfs/dbraw/zinc/87/84/43/672878443.db2.gz WAZVYSQAANNMON-CQSZACIVSA-N 2 2 335.452 -1.214 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117581 672879940 /nfs/dbraw/zinc/87/99/40/672879940.db2.gz UOCGNOFOPXXVLP-CABCVRRESA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117581 672879936 /nfs/dbraw/zinc/87/99/36/672879936.db2.gz UOCGNOFOPXXVLP-CABCVRRESA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117582 672879885 /nfs/dbraw/zinc/87/98/85/672879885.db2.gz UOCGNOFOPXXVLP-GJZGRUSLSA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117582 672879881 /nfs/dbraw/zinc/87/98/81/672879881.db2.gz UOCGNOFOPXXVLP-GJZGRUSLSA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117583 672879976 /nfs/dbraw/zinc/87/99/76/672879976.db2.gz UOCGNOFOPXXVLP-HUUCEWRRSA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117583 672879970 /nfs/dbraw/zinc/87/99/70/672879970.db2.gz UOCGNOFOPXXVLP-HUUCEWRRSA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117584 672879789 /nfs/dbraw/zinc/87/97/89/672879789.db2.gz UOCGNOFOPXXVLP-LSDHHAIUSA-N 2 2 337.468 -1.097 20 0 EAADLP CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117584 672879783 /nfs/dbraw/zinc/87/97/83/672879783.db2.gz UOCGNOFOPXXVLP-LSDHHAIUSA-N 2 2 337.468 -1.097 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118954 672880315 /nfs/dbraw/zinc/88/03/15/672880315.db2.gz DRWFSYARODTWKQ-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118954 672880310 /nfs/dbraw/zinc/88/03/10/672880310.db2.gz DRWFSYARODTWKQ-CVEARBPZSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118955 672880269 /nfs/dbraw/zinc/88/02/69/672880269.db2.gz DRWFSYARODTWKQ-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118955 672880264 /nfs/dbraw/zinc/88/02/64/672880264.db2.gz DRWFSYARODTWKQ-HOTGVXAUSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118956 672880366 /nfs/dbraw/zinc/88/03/66/672880366.db2.gz DRWFSYARODTWKQ-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118956 672880363 /nfs/dbraw/zinc/88/03/63/672880363.db2.gz DRWFSYARODTWKQ-HZPDHXFCSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118957 672880604 /nfs/dbraw/zinc/88/06/04/672880604.db2.gz DRWFSYARODTWKQ-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118957 672880603 /nfs/dbraw/zinc/88/06/03/672880603.db2.gz DRWFSYARODTWKQ-JKSUJKDBSA-N 2 2 340.468 -1.082 20 0 EAADLP O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052983597 674110347 /nfs/dbraw/zinc/11/03/47/674110347.db2.gz PKWALIDCPDZDCS-GASCZTMLSA-N 2 2 349.439 -1.195 20 0 EAADLP O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052983597 674110346 /nfs/dbraw/zinc/11/03/46/674110346.db2.gz PKWALIDCPDZDCS-GASCZTMLSA-N 2 2 349.439 -1.195 20 0 EAADLP O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052989887 674110201 /nfs/dbraw/zinc/11/02/01/674110201.db2.gz BQXQIBRSWBHQMM-GASCZTMLSA-N 2 2 349.439 -1.195 20 0 EAADLP O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052989887 674110198 /nfs/dbraw/zinc/11/01/98/674110198.db2.gz BQXQIBRSWBHQMM-GASCZTMLSA-N 2 2 349.439 -1.195 20 0 EAADLP Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CCO)CC2)n1 ZINC001052990461 674110251 /nfs/dbraw/zinc/11/02/51/674110251.db2.gz DWQJVXUMXBSLOC-OKILXGFUSA-N 2 2 349.439 -1.044 20 0 EAADLP Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CCO)CC2)n1 ZINC001052990461 674110249 /nfs/dbraw/zinc/11/02/49/674110249.db2.gz DWQJVXUMXBSLOC-OKILXGFUSA-N 2 2 349.439 -1.044 20 0 EAADLP O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001053875714 674158287 /nfs/dbraw/zinc/15/82/87/674158287.db2.gz KKWRVFWWOWEOCS-IOSBVQAASA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875714 674158286 /nfs/dbraw/zinc/15/82/86/674158286.db2.gz KKWRVFWWOWEOCS-IOSBVQAASA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001053875715 674158437 /nfs/dbraw/zinc/15/84/37/674158437.db2.gz KKWRVFWWOWEOCS-IQXANGCESA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875715 674158434 /nfs/dbraw/zinc/15/84/34/674158434.db2.gz KKWRVFWWOWEOCS-IQXANGCESA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001053875716 674158409 /nfs/dbraw/zinc/15/84/09/674158409.db2.gz KKWRVFWWOWEOCS-MYMJJRTCSA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875716 674158406 /nfs/dbraw/zinc/15/84/06/674158406.db2.gz KKWRVFWWOWEOCS-MYMJJRTCSA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001053875717 674158394 /nfs/dbraw/zinc/15/83/94/674158394.db2.gz KKWRVFWWOWEOCS-WJEHIRDRSA-N 2 2 337.420 -1.199 20 0 EAADLP O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001053875717 674158392 /nfs/dbraw/zinc/15/83/92/674158392.db2.gz KKWRVFWWOWEOCS-WJEHIRDRSA-N 2 2 337.420 -1.199 20 0 EAADLP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001055495134 674193466 /nfs/dbraw/zinc/19/34/66/674193466.db2.gz IOIJCAQEJKTWSL-AWEZNQCLSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001055495134 674193464 /nfs/dbraw/zinc/19/34/64/674193464.db2.gz IOIJCAQEJKTWSL-AWEZNQCLSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001055495135 674193317 /nfs/dbraw/zinc/19/33/17/674193317.db2.gz IOIJCAQEJKTWSL-CQSZACIVSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001055495135 674193316 /nfs/dbraw/zinc/19/33/16/674193316.db2.gz IOIJCAQEJKTWSL-CQSZACIVSA-N 2 2 342.440 -1.340 20 0 EAADLP NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055548984 674197145 /nfs/dbraw/zinc/19/71/45/674197145.db2.gz ZNQBHBVOPNZAOW-UHFFFAOYSA-N 2 2 336.396 -1.545 20 0 EAADLP COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001055550826 674197258 /nfs/dbraw/zinc/19/72/58/674197258.db2.gz BNIKHDGHJQITCQ-AWEZNQCLSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001055550826 674197257 /nfs/dbraw/zinc/19/72/57/674197257.db2.gz BNIKHDGHJQITCQ-AWEZNQCLSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001055550827 674197252 /nfs/dbraw/zinc/19/72/52/674197252.db2.gz BNIKHDGHJQITCQ-CQSZACIVSA-N 2 2 342.440 -1.340 20 0 EAADLP COCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001055550827 674197250 /nfs/dbraw/zinc/19/72/50/674197250.db2.gz BNIKHDGHJQITCQ-CQSZACIVSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055551650 674197181 /nfs/dbraw/zinc/19/71/81/674197181.db2.gz WKBUYLCLQUOFNO-GFCCVEGCSA-N 2 2 341.412 -2.501 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055551650 674197180 /nfs/dbraw/zinc/19/71/80/674197180.db2.gz WKBUYLCLQUOFNO-GFCCVEGCSA-N 2 2 341.412 -2.501 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055551651 674197199 /nfs/dbraw/zinc/19/71/99/674197199.db2.gz WKBUYLCLQUOFNO-LBPRGKRZSA-N 2 2 341.412 -2.501 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055551651 674197198 /nfs/dbraw/zinc/19/71/98/674197198.db2.gz WKBUYLCLQUOFNO-LBPRGKRZSA-N 2 2 341.412 -2.501 20 0 EAADLP NC(=O)C(=O)NC1CC[NH+](CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001055567703 674198056 /nfs/dbraw/zinc/19/80/56/674198056.db2.gz LXRMDJVCTGQGAB-UHFFFAOYSA-N 2 2 336.396 -1.476 20 0 EAADLP NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055595998 674200059 /nfs/dbraw/zinc/20/00/59/674200059.db2.gz NSPBNDZRYWOLSJ-UHFFFAOYSA-N 2 2 336.396 -1.545 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055602475 674200654 /nfs/dbraw/zinc/20/06/54/674200654.db2.gz ZWYJMUJGHLQOET-UHFFFAOYSA-N 2 2 336.396 -1.855 20 0 EAADLP NC(=O)C(=O)NC1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001055603675 674200522 /nfs/dbraw/zinc/20/05/22/674200522.db2.gz IJTQLLUMULZPEB-UHFFFAOYSA-N 2 2 336.396 -1.545 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055607239 674201268 /nfs/dbraw/zinc/20/12/68/674201268.db2.gz WCURPOARBZEPGW-UHFFFAOYSA-N 2 2 336.396 -1.557 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055626996 674203052 /nfs/dbraw/zinc/20/30/52/674203052.db2.gz JTAHKACWULXQTA-GFCCVEGCSA-N 2 2 341.412 -2.501 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055626996 674203050 /nfs/dbraw/zinc/20/30/50/674203050.db2.gz JTAHKACWULXQTA-GFCCVEGCSA-N 2 2 341.412 -2.501 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055626997 674203212 /nfs/dbraw/zinc/20/32/12/674203212.db2.gz JTAHKACWULXQTA-LBPRGKRZSA-N 2 2 341.412 -2.501 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055626997 674203210 /nfs/dbraw/zinc/20/32/10/674203210.db2.gz JTAHKACWULXQTA-LBPRGKRZSA-N 2 2 341.412 -2.501 20 0 EAADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628849 674204322 /nfs/dbraw/zinc/20/43/22/674204322.db2.gz IZDXMHXRDLMNEN-UHFFFAOYSA-N 2 2 336.396 -1.626 20 0 EAADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628890 674204073 /nfs/dbraw/zinc/20/40/73/674204073.db2.gz KKOWBCUVYIJVHJ-UHFFFAOYSA-N 2 2 336.396 -1.626 20 0 EAADLP NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001055629376 674205064 /nfs/dbraw/zinc/20/50/64/674205064.db2.gz XZCNCOWQPSCQLQ-UHFFFAOYSA-N 2 2 336.396 -1.476 20 0 EAADLP NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001055629963 674205741 /nfs/dbraw/zinc/20/57/41/674205741.db2.gz PJZBRRXTOQJQFQ-UHFFFAOYSA-N 2 2 336.396 -1.545 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057209827 672587983 /nfs/dbraw/zinc/58/79/83/672587983.db2.gz XXYFPEPWHVRHET-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057209827 672587977 /nfs/dbraw/zinc/58/79/77/672587977.db2.gz XXYFPEPWHVRHET-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057209827 672587973 /nfs/dbraw/zinc/58/79/73/672587973.db2.gz XXYFPEPWHVRHET-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057209827 672587971 /nfs/dbraw/zinc/58/79/71/672587971.db2.gz XXYFPEPWHVRHET-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057209828 672588358 /nfs/dbraw/zinc/58/83/58/672588358.db2.gz XXYFPEPWHVRHET-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057209828 672588357 /nfs/dbraw/zinc/58/83/57/672588357.db2.gz XXYFPEPWHVRHET-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057209828 672588354 /nfs/dbraw/zinc/58/83/54/672588354.db2.gz XXYFPEPWHVRHET-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057209828 672588353 /nfs/dbraw/zinc/58/83/53/672588353.db2.gz XXYFPEPWHVRHET-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057209829 672587951 /nfs/dbraw/zinc/58/79/51/672587951.db2.gz XXYFPEPWHVRHET-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057209829 672587948 /nfs/dbraw/zinc/58/79/48/672587948.db2.gz XXYFPEPWHVRHET-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001057209829 672587944 /nfs/dbraw/zinc/58/79/44/672587944.db2.gz XXYFPEPWHVRHET-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001057209829 672587939 /nfs/dbraw/zinc/58/79/39/672587939.db2.gz XXYFPEPWHVRHET-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057209830 672588163 /nfs/dbraw/zinc/58/81/63/672588163.db2.gz XXYFPEPWHVRHET-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057209830 672588161 /nfs/dbraw/zinc/58/81/61/672588161.db2.gz XXYFPEPWHVRHET-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001057209830 672588158 /nfs/dbraw/zinc/58/81/58/672588158.db2.gz XXYFPEPWHVRHET-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001057209830 672588151 /nfs/dbraw/zinc/58/81/51/672588151.db2.gz XXYFPEPWHVRHET-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212757 672591193 /nfs/dbraw/zinc/59/11/93/672591193.db2.gz VFSIUEZBUFRHDS-AWEZNQCLSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212757 672591186 /nfs/dbraw/zinc/59/11/86/672591186.db2.gz VFSIUEZBUFRHDS-AWEZNQCLSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212758 672591223 /nfs/dbraw/zinc/59/12/23/672591223.db2.gz VFSIUEZBUFRHDS-CQSZACIVSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212758 672591220 /nfs/dbraw/zinc/59/12/20/672591220.db2.gz VFSIUEZBUFRHDS-CQSZACIVSA-N 2 2 337.424 -1.006 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263220 672615835 /nfs/dbraw/zinc/61/58/35/672615835.db2.gz GLAXQINDDIYJPF-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263220 672615831 /nfs/dbraw/zinc/61/58/31/672615831.db2.gz GLAXQINDDIYJPF-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057263220 672615827 /nfs/dbraw/zinc/61/58/27/672615827.db2.gz GLAXQINDDIYJPF-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057263220 672615822 /nfs/dbraw/zinc/61/58/22/672615822.db2.gz GLAXQINDDIYJPF-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263221 672615908 /nfs/dbraw/zinc/61/59/08/672615908.db2.gz GLAXQINDDIYJPF-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263221 672615906 /nfs/dbraw/zinc/61/59/06/672615906.db2.gz GLAXQINDDIYJPF-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057263221 672615905 /nfs/dbraw/zinc/61/59/05/672615905.db2.gz GLAXQINDDIYJPF-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057263221 672615903 /nfs/dbraw/zinc/61/59/03/672615903.db2.gz GLAXQINDDIYJPF-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263222 672616036 /nfs/dbraw/zinc/61/60/36/672616036.db2.gz GLAXQINDDIYJPF-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263222 672616032 /nfs/dbraw/zinc/61/60/32/672616032.db2.gz GLAXQINDDIYJPF-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057263222 672616029 /nfs/dbraw/zinc/61/60/29/672616029.db2.gz GLAXQINDDIYJPF-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057263222 672616027 /nfs/dbraw/zinc/61/60/27/672616027.db2.gz GLAXQINDDIYJPF-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263223 672615704 /nfs/dbraw/zinc/61/57/04/672615704.db2.gz GLAXQINDDIYJPF-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263223 672615702 /nfs/dbraw/zinc/61/57/02/672615702.db2.gz GLAXQINDDIYJPF-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057263223 672615700 /nfs/dbraw/zinc/61/57/00/672615700.db2.gz GLAXQINDDIYJPF-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057263223 672615695 /nfs/dbraw/zinc/61/56/95/672615695.db2.gz GLAXQINDDIYJPF-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263453 672616047 /nfs/dbraw/zinc/61/60/47/672616047.db2.gz JSLKPPFBAVAUGH-AWEZNQCLSA-N 2 2 344.456 -1.404 20 0 EAADLP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263453 672616044 /nfs/dbraw/zinc/61/60/44/672616044.db2.gz JSLKPPFBAVAUGH-AWEZNQCLSA-N 2 2 344.456 -1.404 20 0 EAADLP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263454 672615762 /nfs/dbraw/zinc/61/57/62/672615762.db2.gz JSLKPPFBAVAUGH-CQSZACIVSA-N 2 2 344.456 -1.404 20 0 EAADLP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263454 672615761 /nfs/dbraw/zinc/61/57/61/672615761.db2.gz JSLKPPFBAVAUGH-CQSZACIVSA-N 2 2 344.456 -1.404 20 0 EAADLP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001057263816 672616557 /nfs/dbraw/zinc/61/65/57/672616557.db2.gz PDNSMDHSDCBGTQ-KBPBESRZSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001057263816 672616553 /nfs/dbraw/zinc/61/65/53/672616553.db2.gz PDNSMDHSDCBGTQ-KBPBESRZSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001057263821 672616571 /nfs/dbraw/zinc/61/65/71/672616571.db2.gz PDNSMDHSDCBGTQ-KGLIPLIRSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001057263821 672616568 /nfs/dbraw/zinc/61/65/68/672616568.db2.gz PDNSMDHSDCBGTQ-KGLIPLIRSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001057263823 672616903 /nfs/dbraw/zinc/61/69/03/672616903.db2.gz PDNSMDHSDCBGTQ-UONOGXRCSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001057263823 672616898 /nfs/dbraw/zinc/61/68/98/672616898.db2.gz PDNSMDHSDCBGTQ-UONOGXRCSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001057263825 672616817 /nfs/dbraw/zinc/61/68/17/672616817.db2.gz PDNSMDHSDCBGTQ-ZIAGYGMSSA-N 2 2 344.456 -1.406 20 0 EAADLP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001057263825 672616815 /nfs/dbraw/zinc/61/68/15/672616815.db2.gz PDNSMDHSDCBGTQ-ZIAGYGMSSA-N 2 2 344.456 -1.406 20 0 EAADLP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057264064 672617285 /nfs/dbraw/zinc/61/72/85/672617285.db2.gz SZNHJJSKZLVHCO-AWEZNQCLSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057264064 672617283 /nfs/dbraw/zinc/61/72/83/672617283.db2.gz SZNHJJSKZLVHCO-AWEZNQCLSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057264064 672617282 /nfs/dbraw/zinc/61/72/82/672617282.db2.gz SZNHJJSKZLVHCO-AWEZNQCLSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057264064 672617279 /nfs/dbraw/zinc/61/72/79/672617279.db2.gz SZNHJJSKZLVHCO-AWEZNQCLSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057264065 672617481 /nfs/dbraw/zinc/61/74/81/672617481.db2.gz SZNHJJSKZLVHCO-CQSZACIVSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057264065 672617480 /nfs/dbraw/zinc/61/74/80/672617480.db2.gz SZNHJJSKZLVHCO-CQSZACIVSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057264065 672617475 /nfs/dbraw/zinc/61/74/75/672617475.db2.gz SZNHJJSKZLVHCO-CQSZACIVSA-N 2 2 344.456 -1.404 20 0 EAADLP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057264065 672617471 /nfs/dbraw/zinc/61/74/71/672617471.db2.gz SZNHJJSKZLVHCO-CQSZACIVSA-N 2 2 344.456 -1.404 20 0 EAADLP CC(C)[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057264927 672619097 /nfs/dbraw/zinc/61/90/97/672619097.db2.gz JMVXRWGJTGMAIH-AWEZNQCLSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057264927 672619095 /nfs/dbraw/zinc/61/90/95/672619095.db2.gz JMVXRWGJTGMAIH-AWEZNQCLSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057264927 672619093 /nfs/dbraw/zinc/61/90/93/672619093.db2.gz JMVXRWGJTGMAIH-AWEZNQCLSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057264927 672619090 /nfs/dbraw/zinc/61/90/90/672619090.db2.gz JMVXRWGJTGMAIH-AWEZNQCLSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057264928 672618593 /nfs/dbraw/zinc/61/85/93/672618593.db2.gz JMVXRWGJTGMAIH-CQSZACIVSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[NH+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057264928 672618588 /nfs/dbraw/zinc/61/85/88/672618588.db2.gz JMVXRWGJTGMAIH-CQSZACIVSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057264928 672618587 /nfs/dbraw/zinc/61/85/87/672618587.db2.gz JMVXRWGJTGMAIH-CQSZACIVSA-N 2 2 344.456 -1.406 20 0 EAADLP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057264928 672618584 /nfs/dbraw/zinc/61/85/84/672618584.db2.gz JMVXRWGJTGMAIH-CQSZACIVSA-N 2 2 344.456 -1.406 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057265148 672619729 /nfs/dbraw/zinc/61/97/29/672619729.db2.gz QEVVXMFOFMCUCD-AWEZNQCLSA-N 2 2 342.440 -1.650 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057265148 672619728 /nfs/dbraw/zinc/61/97/28/672619728.db2.gz QEVVXMFOFMCUCD-AWEZNQCLSA-N 2 2 342.440 -1.650 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057265149 672619401 /nfs/dbraw/zinc/61/94/01/672619401.db2.gz QEVVXMFOFMCUCD-CQSZACIVSA-N 2 2 342.440 -1.650 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057265149 672619397 /nfs/dbraw/zinc/61/93/97/672619397.db2.gz QEVVXMFOFMCUCD-CQSZACIVSA-N 2 2 342.440 -1.650 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632797 672744226 /nfs/dbraw/zinc/74/42/26/672744226.db2.gz XZMOYPFRIDLIFH-CYBMUJFWSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632797 672744222 /nfs/dbraw/zinc/74/42/22/672744222.db2.gz XZMOYPFRIDLIFH-CYBMUJFWSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632798 672744249 /nfs/dbraw/zinc/74/42/49/672744249.db2.gz XZMOYPFRIDLIFH-ZDUSSCGKSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632798 672744247 /nfs/dbraw/zinc/74/42/47/672744247.db2.gz XZMOYPFRIDLIFH-ZDUSSCGKSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640238 672747689 /nfs/dbraw/zinc/74/76/89/672747689.db2.gz FDWTVCOKLCWAQA-UHFFFAOYSA-N 2 2 337.424 -1.005 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640471 672747586 /nfs/dbraw/zinc/74/75/86/672747586.db2.gz JMTHFLXHIVXGNC-AWEZNQCLSA-N 2 2 342.440 -1.650 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640471 672747584 /nfs/dbraw/zinc/74/75/84/672747584.db2.gz JMTHFLXHIVXGNC-AWEZNQCLSA-N 2 2 342.440 -1.650 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640473 672747834 /nfs/dbraw/zinc/74/78/34/672747834.db2.gz JMTHFLXHIVXGNC-CQSZACIVSA-N 2 2 342.440 -1.650 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640473 672747830 /nfs/dbraw/zinc/74/78/30/672747830.db2.gz JMTHFLXHIVXGNC-CQSZACIVSA-N 2 2 342.440 -1.650 20 0 EAADLP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996313 672952510 /nfs/dbraw/zinc/95/25/10/672952510.db2.gz FSQDKOKPVYJJPY-UHFFFAOYSA-N 2 2 341.412 -1.602 20 0 EAADLP O=C(Cn1cc[nH+]c1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057996529 672952479 /nfs/dbraw/zinc/95/24/79/672952479.db2.gz MZXUOKOSJIAQAP-UHFFFAOYSA-N 2 2 335.408 -1.084 20 0 EAADLP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001058156282 672986807 /nfs/dbraw/zinc/98/68/07/672986807.db2.gz DUKFCXPNZJLMFF-UHFFFAOYSA-N 2 2 341.412 -1.533 20 0 EAADLP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001058156771 672987271 /nfs/dbraw/zinc/98/72/71/672987271.db2.gz UAJVNMVBASPVLL-UHFFFAOYSA-N 2 2 341.412 -1.533 20 0 EAADLP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001058157731 672987758 /nfs/dbraw/zinc/98/77/58/672987758.db2.gz GZHRNHCEZIZAFL-UHFFFAOYSA-N 2 2 341.412 -1.602 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058158304 672988258 /nfs/dbraw/zinc/98/82/58/672988258.db2.gz VOADFKDAXXCEFC-UHFFFAOYSA-N 2 2 325.413 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058159367 672988833 /nfs/dbraw/zinc/98/88/33/672988833.db2.gz GMLGREPZZQHMRA-UHFFFAOYSA-N 2 2 337.424 -1.005 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058159489 672988642 /nfs/dbraw/zinc/98/86/42/672988642.db2.gz LAGIENRHIWZSJF-UHFFFAOYSA-N 2 2 349.435 -1.005 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058159602 672988695 /nfs/dbraw/zinc/98/86/95/672988695.db2.gz PGNRBVSICGROJA-AWEZNQCLSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058159602 672988692 /nfs/dbraw/zinc/98/86/92/672988692.db2.gz PGNRBVSICGROJA-AWEZNQCLSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058159603 672988811 /nfs/dbraw/zinc/98/88/11/672988811.db2.gz PGNRBVSICGROJA-CQSZACIVSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058159603 672988808 /nfs/dbraw/zinc/98/88/08/672988808.db2.gz PGNRBVSICGROJA-CQSZACIVSA-N 2 2 337.424 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058159838 672989208 /nfs/dbraw/zinc/98/92/08/672989208.db2.gz YXLGGIMGDGSFDT-CYBMUJFWSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058159838 672989207 /nfs/dbraw/zinc/98/92/07/672989207.db2.gz YXLGGIMGDGSFDT-CYBMUJFWSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058159839 672989229 /nfs/dbraw/zinc/98/92/29/672989229.db2.gz YXLGGIMGDGSFDT-ZDUSSCGKSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058159839 672989228 /nfs/dbraw/zinc/98/92/28/672989228.db2.gz YXLGGIMGDGSFDT-ZDUSSCGKSA-N 2 2 337.424 -1.149 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058162403 672989611 /nfs/dbraw/zinc/98/96/11/672989611.db2.gz XJNCZPMFEVVOGQ-UHFFFAOYSA-N 2 2 349.435 -1.005 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163237 672989491 /nfs/dbraw/zinc/98/94/91/672989491.db2.gz AOVYITLAFVVYAS-UHFFFAOYSA-N 2 2 335.408 -1.015 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163290 672989577 /nfs/dbraw/zinc/98/95/77/672989577.db2.gz CGXFIAYKQGMBAC-UHFFFAOYSA-N 2 2 335.408 -1.015 20 0 EAADLP O=C(Cn1cc[nH+]c1)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163823 672989804 /nfs/dbraw/zinc/98/98/04/672989804.db2.gz YVZPQNOTJOYSSD-UHFFFAOYSA-N 2 2 335.408 -1.084 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058547324 668387594 /nfs/dbraw/zinc/38/75/94/668387594.db2.gz CAHFUHUXCNLKCX-UHFFFAOYSA-N 2 2 335.408 -1.015 20 0 EAADLP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547723 668388150 /nfs/dbraw/zinc/38/81/50/668388150.db2.gz SYFNGMVGZFJUHP-UHFFFAOYSA-N 2 2 341.412 -1.533 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058707711 668116518 /nfs/dbraw/zinc/11/65/18/668116518.db2.gz KWMNFPJIEGAZBD-UHFFFAOYSA-N 2 2 325.413 -1.149 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058948225 668713323 /nfs/dbraw/zinc/71/33/23/668713323.db2.gz PDWSASAWVUUQKD-UHFFFAOYSA-N 2 2 335.408 -1.015 20 0 EAADLP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948244 668713249 /nfs/dbraw/zinc/71/32/49/668713249.db2.gz QETXECUJJQLNJS-UHFFFAOYSA-N 2 2 341.412 -1.533 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001061859078 669467162 /nfs/dbraw/zinc/46/71/62/669467162.db2.gz DSGZPLXJTCRAKS-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001061859078 669467158 /nfs/dbraw/zinc/46/71/58/669467158.db2.gz DSGZPLXJTCRAKS-KBPBESRZSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001061859079 669467095 /nfs/dbraw/zinc/46/70/95/669467095.db2.gz DSGZPLXJTCRAKS-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001061859079 669467091 /nfs/dbraw/zinc/46/70/91/669467091.db2.gz DSGZPLXJTCRAKS-KGLIPLIRSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001061859080 669467191 /nfs/dbraw/zinc/46/71/91/669467191.db2.gz DSGZPLXJTCRAKS-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001061859080 669467186 /nfs/dbraw/zinc/46/71/86/669467186.db2.gz DSGZPLXJTCRAKS-UONOGXRCSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001061859081 669467141 /nfs/dbraw/zinc/46/71/41/669467141.db2.gz DSGZPLXJTCRAKS-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001061859081 669467137 /nfs/dbraw/zinc/46/71/37/669467137.db2.gz DSGZPLXJTCRAKS-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC001065695110 669895751 /nfs/dbraw/zinc/89/57/51/669895751.db2.gz RDJNUTYKDAMRLG-CYBMUJFWSA-N 2 2 339.440 -1.441 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC001065695111 669895556 /nfs/dbraw/zinc/89/55/56/669895556.db2.gz RDJNUTYKDAMRLG-ZDUSSCGKSA-N 2 2 339.440 -1.441 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001065713451 669896903 /nfs/dbraw/zinc/89/69/03/669896903.db2.gz SZGZEIHAIJWRAO-CYBMUJFWSA-N 2 2 339.440 -1.441 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001065713452 669896994 /nfs/dbraw/zinc/89/69/94/669896994.db2.gz SZGZEIHAIJWRAO-ZDUSSCGKSA-N 2 2 339.440 -1.441 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905545 673153328 /nfs/dbraw/zinc/15/33/28/673153328.db2.gz CRLRGBLTUXQAEO-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905545 673153326 /nfs/dbraw/zinc/15/33/26/673153326.db2.gz CRLRGBLTUXQAEO-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905545 673153325 /nfs/dbraw/zinc/15/33/25/673153325.db2.gz CRLRGBLTUXQAEO-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905545 673153323 /nfs/dbraw/zinc/15/33/23/673153323.db2.gz CRLRGBLTUXQAEO-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905546 673153292 /nfs/dbraw/zinc/15/32/92/673153292.db2.gz CRLRGBLTUXQAEO-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905546 673153291 /nfs/dbraw/zinc/15/32/91/673153291.db2.gz CRLRGBLTUXQAEO-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905546 673153290 /nfs/dbraw/zinc/15/32/90/673153290.db2.gz CRLRGBLTUXQAEO-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001069905546 673153289 /nfs/dbraw/zinc/15/32/89/673153289.db2.gz CRLRGBLTUXQAEO-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905858 673152966 /nfs/dbraw/zinc/15/29/66/673152966.db2.gz UATQEUSMGSCCAR-HZSPNIEDSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905858 673152963 /nfs/dbraw/zinc/15/29/63/673152963.db2.gz UATQEUSMGSCCAR-HZSPNIEDSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905858 673152960 /nfs/dbraw/zinc/15/29/60/673152960.db2.gz UATQEUSMGSCCAR-HZSPNIEDSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905858 673152953 /nfs/dbraw/zinc/15/29/53/673152953.db2.gz UATQEUSMGSCCAR-HZSPNIEDSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905859 673153139 /nfs/dbraw/zinc/15/31/39/673153139.db2.gz UATQEUSMGSCCAR-RDBSUJKOSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905859 673153136 /nfs/dbraw/zinc/15/31/36/673153136.db2.gz UATQEUSMGSCCAR-RDBSUJKOSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905859 673153133 /nfs/dbraw/zinc/15/31/33/673153133.db2.gz UATQEUSMGSCCAR-RDBSUJKOSA-N 2 2 338.412 -1.403 20 0 EAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905859 673153131 /nfs/dbraw/zinc/15/31/31/673153131.db2.gz UATQEUSMGSCCAR-RDBSUJKOSA-N 2 2 338.412 -1.403 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)O1 ZINC001069958171 673159721 /nfs/dbraw/zinc/15/97/21/673159721.db2.gz AUJNWNHNOAEURY-YIYPIFLZSA-N 2 2 338.412 -1.669 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)O1 ZINC001069958171 673159719 /nfs/dbraw/zinc/15/97/19/673159719.db2.gz AUJNWNHNOAEURY-YIYPIFLZSA-N 2 2 338.412 -1.669 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)O1 ZINC001069958171 673159717 /nfs/dbraw/zinc/15/97/17/673159717.db2.gz AUJNWNHNOAEURY-YIYPIFLZSA-N 2 2 338.412 -1.669 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)O1 ZINC001069958171 673159714 /nfs/dbraw/zinc/15/97/14/673159714.db2.gz AUJNWNHNOAEURY-YIYPIFLZSA-N 2 2 338.412 -1.669 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070076305 673174916 /nfs/dbraw/zinc/17/49/16/673174916.db2.gz KFJKUWDEVSHVPN-KGLIPLIRSA-N 2 2 333.396 -1.022 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070076305 673174914 /nfs/dbraw/zinc/17/49/14/673174914.db2.gz KFJKUWDEVSHVPN-KGLIPLIRSA-N 2 2 333.396 -1.022 20 0 EAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076506 673174889 /nfs/dbraw/zinc/17/48/89/673174889.db2.gz PVNWKOODLRZWQB-BNOWGMLFSA-N 2 2 333.396 -1.023 20 0 EAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076506 673174886 /nfs/dbraw/zinc/17/48/86/673174886.db2.gz PVNWKOODLRZWQB-BNOWGMLFSA-N 2 2 333.396 -1.023 20 0 EAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076507 673174964 /nfs/dbraw/zinc/17/49/64/673174964.db2.gz PVNWKOODLRZWQB-YUTCNCBUSA-N 2 2 333.396 -1.023 20 0 EAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076507 673174962 /nfs/dbraw/zinc/17/49/62/673174962.db2.gz PVNWKOODLRZWQB-YUTCNCBUSA-N 2 2 333.396 -1.023 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100404 673178337 /nfs/dbraw/zinc/17/83/37/673178337.db2.gz TXQVEXABHITCQE-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100404 673178336 /nfs/dbraw/zinc/17/83/36/673178336.db2.gz TXQVEXABHITCQE-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100404 673178334 /nfs/dbraw/zinc/17/83/34/673178334.db2.gz TXQVEXABHITCQE-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100404 673178333 /nfs/dbraw/zinc/17/83/33/673178333.db2.gz TXQVEXABHITCQE-HZSPNIEDSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100405 673178271 /nfs/dbraw/zinc/17/82/71/673178271.db2.gz TXQVEXABHITCQE-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100405 673178270 /nfs/dbraw/zinc/17/82/70/673178270.db2.gz TXQVEXABHITCQE-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100405 673178268 /nfs/dbraw/zinc/17/82/68/673178268.db2.gz TXQVEXABHITCQE-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070100405 673178267 /nfs/dbraw/zinc/17/82/67/673178267.db2.gz TXQVEXABHITCQE-RDBSUJKOSA-N 2 2 338.412 -1.667 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070165220 671891913 /nfs/dbraw/zinc/89/19/13/671891913.db2.gz JLHQXPSKRAQKAA-AGIUHOORSA-N 2 2 326.376 -1.080 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070165220 671891911 /nfs/dbraw/zinc/89/19/11/671891911.db2.gz JLHQXPSKRAQKAA-AGIUHOORSA-N 2 2 326.376 -1.080 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070165221 671891837 /nfs/dbraw/zinc/89/18/37/671891837.db2.gz JLHQXPSKRAQKAA-FRRDWIJNSA-N 2 2 326.376 -1.080 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070165221 671891832 /nfs/dbraw/zinc/89/18/32/671891832.db2.gz JLHQXPSKRAQKAA-FRRDWIJNSA-N 2 2 326.376 -1.080 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070165445 671891880 /nfs/dbraw/zinc/89/18/80/671891880.db2.gz PDSTXNUUFSATHM-GRYCIOLGSA-N 2 2 337.384 -2.565 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070165445 671891877 /nfs/dbraw/zinc/89/18/77/671891877.db2.gz PDSTXNUUFSATHM-GRYCIOLGSA-N 2 2 337.384 -2.565 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070165446 671891615 /nfs/dbraw/zinc/89/16/15/671891615.db2.gz PDSTXNUUFSATHM-WOPDTQHZSA-N 2 2 337.384 -2.565 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070165446 671891613 /nfs/dbraw/zinc/89/16/13/671891613.db2.gz PDSTXNUUFSATHM-WOPDTQHZSA-N 2 2 337.384 -2.565 20 0 EAADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070185213 671894110 /nfs/dbraw/zinc/89/41/10/671894110.db2.gz JNTCWASQSSMTNQ-MNOVXSKESA-N 2 2 332.368 -1.539 20 0 EAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070185434 671893930 /nfs/dbraw/zinc/89/39/30/671893930.db2.gz VXFFDFYRCLWPTP-TUAOUCFPSA-N 2 2 346.395 -1.151 20 0 EAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070185435 671894036 /nfs/dbraw/zinc/89/40/36/671894036.db2.gz VXFFDFYRCLWPTP-UTUOFQBUSA-N 2 2 346.395 -1.151 20 0 EAADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070219711 671900379 /nfs/dbraw/zinc/90/03/79/671900379.db2.gz GBWDBPWTSWSOCG-AGIUHOORSA-N 2 2 335.412 -1.411 20 0 EAADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070219711 671900378 /nfs/dbraw/zinc/90/03/78/671900378.db2.gz GBWDBPWTSWSOCG-AGIUHOORSA-N 2 2 335.412 -1.411 20 0 EAADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070219712 671900566 /nfs/dbraw/zinc/90/05/66/671900566.db2.gz GBWDBPWTSWSOCG-UPJWGTAASA-N 2 2 335.412 -1.411 20 0 EAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070219712 671900562 /nfs/dbraw/zinc/90/05/62/671900562.db2.gz GBWDBPWTSWSOCG-UPJWGTAASA-N 2 2 335.412 -1.411 20 0 EAADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)no1 ZINC001070224036 671901056 /nfs/dbraw/zinc/90/10/56/671901056.db2.gz JOPFKVVSRLDLNU-KGLIPLIRSA-N 2 2 349.395 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070234959 671905707 /nfs/dbraw/zinc/90/57/07/671905707.db2.gz QMEUDXVCJOAUSC-UPJWGTAASA-N 2 2 346.395 -1.301 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070234960 671905627 /nfs/dbraw/zinc/90/56/27/671905627.db2.gz QMEUDXVCJOAUSC-XQQFMLRXSA-N 2 2 346.395 -1.301 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070235086 671905640 /nfs/dbraw/zinc/90/56/40/671905640.db2.gz YRWCXGKCERZLGX-NEPJUHHUSA-N 2 2 332.368 -1.690 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070241489 671905610 /nfs/dbraw/zinc/90/56/10/671905610.db2.gz IQRRONIOEQKZNT-OLZOCXBDSA-N 2 2 333.396 -1.022 20 0 EAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070247116 671906491 /nfs/dbraw/zinc/90/64/91/671906491.db2.gz CDSSAADWDWFTNY-UPJWGTAASA-N 2 2 346.395 -1.220 20 0 EAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070247117 671906292 /nfs/dbraw/zinc/90/62/92/671906292.db2.gz CDSSAADWDWFTNY-XQQFMLRXSA-N 2 2 346.395 -1.220 20 0 EAADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070247479 671906399 /nfs/dbraw/zinc/90/63/99/671906399.db2.gz XWLKVMQNKBTFDQ-NEPJUHHUSA-N 2 2 332.368 -1.608 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070284549 671910603 /nfs/dbraw/zinc/91/06/03/671910603.db2.gz JEZWZPGHSRONGM-UPJWGTAASA-N 2 2 344.379 -1.526 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070284550 671910621 /nfs/dbraw/zinc/91/06/21/671910621.db2.gz JEZWZPGHSRONGM-XQQFMLRXSA-N 2 2 344.379 -1.526 20 0 EAADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284625 671910771 /nfs/dbraw/zinc/91/07/71/671910771.db2.gz MLZGFHBYFITMHU-UPJWGTAASA-N 2 2 346.395 -1.151 20 0 EAADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284626 671910814 /nfs/dbraw/zinc/91/08/14/671910814.db2.gz MLZGFHBYFITMHU-XQQFMLRXSA-N 2 2 346.395 -1.151 20 0 EAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284733 671910908 /nfs/dbraw/zinc/91/09/08/671910908.db2.gz RLHQIBBMOUSINX-JLLWLGSASA-N 2 2 332.368 -1.541 20 0 EAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070284734 671910899 /nfs/dbraw/zinc/91/08/99/671910899.db2.gz RLHQIBBMOUSINX-WCQGTBRESA-N 2 2 332.368 -1.541 20 0 EAADLP C[C@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cc[nH+]c1 ZINC001070285629 671910886 /nfs/dbraw/zinc/91/08/86/671910886.db2.gz CWZWZEMHFYNGCB-UPJWGTAASA-N 2 2 346.395 -1.047 20 0 EAADLP C[C@@H](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)n1cc[nH+]c1 ZINC001070285630 671910875 /nfs/dbraw/zinc/91/08/75/671910875.db2.gz CWZWZEMHFYNGCB-XQQFMLRXSA-N 2 2 346.395 -1.047 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070310965 671913115 /nfs/dbraw/zinc/91/31/15/671913115.db2.gz GKHDRVLMTURTJY-NEPJUHHUSA-N 2 2 332.368 -1.919 20 0 EAADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070311150 671913087 /nfs/dbraw/zinc/91/30/87/671913087.db2.gz PLIUZEBOELJDJB-BNOWGMLFSA-N 2 2 333.396 -1.023 20 0 EAADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070311151 671912782 /nfs/dbraw/zinc/91/27/82/671912782.db2.gz PLIUZEBOELJDJB-YUTCNCBUSA-N 2 2 333.396 -1.023 20 0 EAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070311155 671912805 /nfs/dbraw/zinc/91/28/05/671912805.db2.gz PQZXFIPHGIHVHY-RTXFEEFZSA-N 2 2 346.395 -1.530 20 0 EAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1)C(N)=O ZINC001070311156 671912882 /nfs/dbraw/zinc/91/28/82/671912882.db2.gz PQZXFIPHGIHVHY-UHTWSYAYSA-N 2 2 346.395 -1.530 20 0 EAADLP CC(C)(C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)c1c[nH+]c[nH]1 ZINC001070311306 671913130 /nfs/dbraw/zinc/91/31/30/671913130.db2.gz WVEUNMVCXGQZEG-MNOVXSKESA-N 2 2 346.395 -1.194 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070317042 671913627 /nfs/dbraw/zinc/91/36/27/671913627.db2.gz GIHBHJCCUHHCQG-NEPJUHHUSA-N 2 2 332.368 -1.621 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070317755 671913671 /nfs/dbraw/zinc/91/36/71/671913671.db2.gz ZPZLKQRTJQBANH-RTXFEEFZSA-N 2 2 346.395 -1.232 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070317757 671913637 /nfs/dbraw/zinc/91/36/37/671913637.db2.gz ZPZLKQRTJQBANH-UHTWSYAYSA-N 2 2 346.395 -1.232 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070319973 671913582 /nfs/dbraw/zinc/91/35/82/671913582.db2.gz RBCIGGFMFHNZNQ-OLZOCXBDSA-N 2 2 346.395 -1.529 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070320061 671913611 /nfs/dbraw/zinc/91/36/11/671913611.db2.gz VWVAEZYEFVHWGA-KGLIPLIRSA-N 2 2 333.396 -1.022 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070328063 671914837 /nfs/dbraw/zinc/91/48/37/671914837.db2.gz LSULFBUSFARZNH-NEPJUHHUSA-N 2 2 332.368 -1.690 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070328297 671914783 /nfs/dbraw/zinc/91/47/83/671914783.db2.gz VPEAJEOZSQMTFR-RTXFEEFZSA-N 2 2 346.395 -1.301 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070328298 671914726 /nfs/dbraw/zinc/91/47/26/671914726.db2.gz VPEAJEOZSQMTFR-UHTWSYAYSA-N 2 2 346.395 -1.301 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070337724 671915811 /nfs/dbraw/zinc/91/58/11/671915811.db2.gz HRBUPLODQWJVEI-UPJWGTAASA-N 2 2 344.379 -1.595 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070337725 671915684 /nfs/dbraw/zinc/91/56/84/671915684.db2.gz HRBUPLODQWJVEI-XQQFMLRXSA-N 2 2 344.379 -1.595 20 0 EAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337738 671915759 /nfs/dbraw/zinc/91/57/59/671915759.db2.gz IDPGGDOMCOMHOM-TUAOUCFPSA-N 2 2 332.368 -1.610 20 0 EAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337739 671915774 /nfs/dbraw/zinc/91/57/74/671915774.db2.gz IDPGGDOMCOMHOM-UTUOFQBUSA-N 2 2 332.368 -1.610 20 0 EAADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337779 671915860 /nfs/dbraw/zinc/91/58/60/671915860.db2.gz KIOWBKDNUDMBMR-UPJWGTAASA-N 2 2 346.395 -1.220 20 0 EAADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070337780 671915850 /nfs/dbraw/zinc/91/58/50/671915850.db2.gz KIOWBKDNUDMBMR-XQQFMLRXSA-N 2 2 346.395 -1.220 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070513426 671925793 /nfs/dbraw/zinc/92/57/93/671925793.db2.gz NHSAFFXMZROIBH-GXTWGEPZSA-N 2 2 345.407 -1.005 20 0 EAADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070540996 671926968 /nfs/dbraw/zinc/92/69/68/671926968.db2.gz MWFGNYMREMEKII-WCQYABFASA-N 2 2 331.380 -1.245 20 0 EAADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070553692 671927904 /nfs/dbraw/zinc/92/79/04/671927904.db2.gz AQMKZTQLXOZENW-GXTWGEPZSA-N 2 2 345.407 -1.234 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070563456 671928579 /nfs/dbraw/zinc/92/85/79/671928579.db2.gz FBRHMBIUSVWVAV-GXTWGEPZSA-N 2 2 345.407 -1.005 20 0 EAADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070570234 671928466 /nfs/dbraw/zinc/92/84/66/671928466.db2.gz CFRPBYFEMZUPMQ-WCQYABFASA-N 2 2 331.380 -1.314 20 0 EAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001070632241 671936985 /nfs/dbraw/zinc/93/69/85/671936985.db2.gz OOKXWBHFMCBLLF-NFAWXSAZSA-N 2 2 337.424 -1.373 20 0 EAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001070632241 671936983 /nfs/dbraw/zinc/93/69/83/671936983.db2.gz OOKXWBHFMCBLLF-NFAWXSAZSA-N 2 2 337.424 -1.373 20 0 EAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001070632242 671937001 /nfs/dbraw/zinc/93/70/01/671937001.db2.gz OOKXWBHFMCBLLF-UMVBOHGHSA-N 2 2 337.424 -1.373 20 0 EAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001070632242 671936999 /nfs/dbraw/zinc/93/69/99/671936999.db2.gz OOKXWBHFMCBLLF-UMVBOHGHSA-N 2 2 337.424 -1.373 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070668506 671940834 /nfs/dbraw/zinc/94/08/34/671940834.db2.gz XXEFTKCNFMJTHZ-CHWSQXEVSA-N 2 2 345.407 -1.005 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070719056 671944419 /nfs/dbraw/zinc/94/44/19/671944419.db2.gz QUCZHRIQZQPUFI-CHWSQXEVSA-N 2 2 345.407 -1.005 20 0 EAADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC001070723898 671944204 /nfs/dbraw/zinc/94/42/04/671944204.db2.gz WYIQMTWDLVQBSN-VXGBXAGGSA-N 2 2 331.380 -1.314 20 0 EAADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070963608 686464447 /nfs/dbraw/zinc/46/44/47/686464447.db2.gz ZLCSOJCXKILUFJ-HNNXBMFYSA-N 2 2 338.452 -1.029 20 0 EAADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070963608 686464442 /nfs/dbraw/zinc/46/44/42/686464442.db2.gz ZLCSOJCXKILUFJ-HNNXBMFYSA-N 2 2 338.452 -1.029 20 0 EAADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070963609 686464596 /nfs/dbraw/zinc/46/45/96/686464596.db2.gz ZLCSOJCXKILUFJ-OAHLLOKOSA-N 2 2 338.452 -1.029 20 0 EAADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070963609 686464593 /nfs/dbraw/zinc/46/45/93/686464593.db2.gz ZLCSOJCXKILUFJ-OAHLLOKOSA-N 2 2 338.452 -1.029 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)CC[NH+]1C ZINC001070964526 686464755 /nfs/dbraw/zinc/46/47/55/686464755.db2.gz NLGYIGKKPMLPNL-ZIAGYGMSSA-N 2 2 326.441 -1.031 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)CC[NH+]1C ZINC001070964526 686464750 /nfs/dbraw/zinc/46/47/50/686464750.db2.gz NLGYIGKKPMLPNL-ZIAGYGMSSA-N 2 2 326.441 -1.031 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](CCO)CC2)CC[N@H+]1C ZINC001070964526 686464745 /nfs/dbraw/zinc/46/47/45/686464745.db2.gz NLGYIGKKPMLPNL-ZIAGYGMSSA-N 2 2 326.441 -1.031 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001070964526 686464740 /nfs/dbraw/zinc/46/47/40/686464740.db2.gz NLGYIGKKPMLPNL-ZIAGYGMSSA-N 2 2 326.441 -1.031 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1)C1CC1 ZINC001070970397 686466132 /nfs/dbraw/zinc/46/61/32/686466132.db2.gz CQWBGCNBZCFFLQ-HNNXBMFYSA-N 2 2 326.441 -1.031 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1)C1CC1 ZINC001070970397 686466128 /nfs/dbraw/zinc/46/61/28/686466128.db2.gz CQWBGCNBZCFFLQ-HNNXBMFYSA-N 2 2 326.441 -1.031 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1)C1CC1 ZINC001070970398 686466664 /nfs/dbraw/zinc/46/66/64/686466664.db2.gz CQWBGCNBZCFFLQ-OAHLLOKOSA-N 2 2 326.441 -1.031 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1)C1CC1 ZINC001070970398 686466660 /nfs/dbraw/zinc/46/66/60/686466660.db2.gz CQWBGCNBZCFFLQ-OAHLLOKOSA-N 2 2 326.441 -1.031 20 0 EAADLP C[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)CC1 ZINC001070995273 686476331 /nfs/dbraw/zinc/47/63/31/686476331.db2.gz YCMRBNDOWDWXPN-UHFFFAOYSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)CC1 ZINC001070995273 686476328 /nfs/dbraw/zinc/47/63/28/686476328.db2.gz YCMRBNDOWDWXPN-UHFFFAOYSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@H]1CC[NH+](CC(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)C1 ZINC001071000126 686477041 /nfs/dbraw/zinc/47/70/41/686477041.db2.gz PJNYLLLCFRBSGK-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@H]1CC[NH+](CC(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)C1 ZINC001071000126 686477036 /nfs/dbraw/zinc/47/70/36/686477036.db2.gz PJNYLLLCFRBSGK-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071000126 686477032 /nfs/dbraw/zinc/47/70/32/686477032.db2.gz PJNYLLLCFRBSGK-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071000126 686477025 /nfs/dbraw/zinc/47/70/25/686477025.db2.gz PJNYLLLCFRBSGK-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@@H]1CC[NH+](CC(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)C1 ZINC001071000127 686477307 /nfs/dbraw/zinc/47/73/07/686477307.db2.gz PJNYLLLCFRBSGK-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@@H]1CC[NH+](CC(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)C1 ZINC001071000127 686477302 /nfs/dbraw/zinc/47/73/02/686477302.db2.gz PJNYLLLCFRBSGK-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071000127 686477299 /nfs/dbraw/zinc/47/72/99/686477299.db2.gz PJNYLLLCFRBSGK-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071000127 686477296 /nfs/dbraw/zinc/47/72/96/686477296.db2.gz PJNYLLLCFRBSGK-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071000337 686476651 /nfs/dbraw/zinc/47/66/51/686476651.db2.gz YLVCUQGYBSPZDX-KBPBESRZSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071000337 686476644 /nfs/dbraw/zinc/47/66/44/686476644.db2.gz YLVCUQGYBSPZDX-KBPBESRZSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000337 686476639 /nfs/dbraw/zinc/47/66/39/686476639.db2.gz YLVCUQGYBSPZDX-KBPBESRZSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000337 686476635 /nfs/dbraw/zinc/47/66/35/686476635.db2.gz YLVCUQGYBSPZDX-KBPBESRZSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071000338 686477280 /nfs/dbraw/zinc/47/72/80/686477280.db2.gz YLVCUQGYBSPZDX-KGLIPLIRSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071000338 686477276 /nfs/dbraw/zinc/47/72/76/686477276.db2.gz YLVCUQGYBSPZDX-KGLIPLIRSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000338 686477275 /nfs/dbraw/zinc/47/72/75/686477275.db2.gz YLVCUQGYBSPZDX-KGLIPLIRSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000338 686477274 /nfs/dbraw/zinc/47/72/74/686477274.db2.gz YLVCUQGYBSPZDX-KGLIPLIRSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071000339 686476728 /nfs/dbraw/zinc/47/67/28/686476728.db2.gz YLVCUQGYBSPZDX-UONOGXRCSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071000339 686476725 /nfs/dbraw/zinc/47/67/25/686476725.db2.gz YLVCUQGYBSPZDX-UONOGXRCSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000339 686476723 /nfs/dbraw/zinc/47/67/23/686476723.db2.gz YLVCUQGYBSPZDX-UONOGXRCSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000339 686476719 /nfs/dbraw/zinc/47/67/19/686476719.db2.gz YLVCUQGYBSPZDX-UONOGXRCSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071000340 686477131 /nfs/dbraw/zinc/47/71/31/686477131.db2.gz YLVCUQGYBSPZDX-ZIAGYGMSSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071000340 686477127 /nfs/dbraw/zinc/47/71/27/686477127.db2.gz YLVCUQGYBSPZDX-ZIAGYGMSSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000340 686477121 /nfs/dbraw/zinc/47/71/21/686477121.db2.gz YLVCUQGYBSPZDX-ZIAGYGMSSA-N 2 2 326.441 -1.173 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001071000340 686477116 /nfs/dbraw/zinc/47/71/16/686477116.db2.gz YLVCUQGYBSPZDX-ZIAGYGMSSA-N 2 2 326.441 -1.173 20 0 EAADLP C[NH+]1CC[C@@H](CC(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)C1 ZINC001071015457 686480798 /nfs/dbraw/zinc/48/07/98/686480798.db2.gz FXJPWIMPIGAHRI-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+]1CC[C@@H](CC(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)C1 ZINC001071015457 686480795 /nfs/dbraw/zinc/48/07/95/686480795.db2.gz FXJPWIMPIGAHRI-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071015457 686480789 /nfs/dbraw/zinc/48/07/89/686480789.db2.gz FXJPWIMPIGAHRI-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071015457 686480786 /nfs/dbraw/zinc/48/07/86/686480786.db2.gz FXJPWIMPIGAHRI-AWEZNQCLSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+]1CC[C@H](CC(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)C1 ZINC001071015458 686480990 /nfs/dbraw/zinc/48/09/90/686480990.db2.gz FXJPWIMPIGAHRI-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+]1CC[C@H](CC(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)C1 ZINC001071015458 686480988 /nfs/dbraw/zinc/48/09/88/686480988.db2.gz FXJPWIMPIGAHRI-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071015458 686480985 /nfs/dbraw/zinc/48/09/85/686480985.db2.gz FXJPWIMPIGAHRI-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071015458 686480982 /nfs/dbraw/zinc/48/09/82/686480982.db2.gz FXJPWIMPIGAHRI-CQSZACIVSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072813590 686646658 /nfs/dbraw/zinc/64/66/58/686646658.db2.gz YCRKBSRCWLCEQQ-CYBMUJFWSA-N 2 2 334.424 -1.167 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072813590 686646654 /nfs/dbraw/zinc/64/66/54/686646654.db2.gz YCRKBSRCWLCEQQ-CYBMUJFWSA-N 2 2 334.424 -1.167 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072813591 686646310 /nfs/dbraw/zinc/64/63/10/686646310.db2.gz YCRKBSRCWLCEQQ-ZDUSSCGKSA-N 2 2 334.424 -1.167 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072813591 686646307 /nfs/dbraw/zinc/64/63/07/686646307.db2.gz YCRKBSRCWLCEQQ-ZDUSSCGKSA-N 2 2 334.424 -1.167 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001073486096 686676239 /nfs/dbraw/zinc/67/62/39/686676239.db2.gz QPSQJDFFWNBTNS-UHFFFAOYSA-N 2 2 346.391 -1.031 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001073486096 686676234 /nfs/dbraw/zinc/67/62/34/686676234.db2.gz QPSQJDFFWNBTNS-UHFFFAOYSA-N 2 2 346.391 -1.031 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)O1 ZINC001073660580 686700754 /nfs/dbraw/zinc/70/07/54/686700754.db2.gz JOMZJLIZMYCLFB-FRRDWIJNSA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)O1 ZINC001073660580 686700750 /nfs/dbraw/zinc/70/07/50/686700750.db2.gz JOMZJLIZMYCLFB-FRRDWIJNSA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)O1 ZINC001073660580 686700749 /nfs/dbraw/zinc/70/07/49/686700749.db2.gz JOMZJLIZMYCLFB-FRRDWIJNSA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)O1 ZINC001073660580 686700746 /nfs/dbraw/zinc/70/07/46/686700746.db2.gz JOMZJLIZMYCLFB-FRRDWIJNSA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)O1 ZINC001073660581 686700836 /nfs/dbraw/zinc/70/08/36/686700836.db2.gz JOMZJLIZMYCLFB-JHJVBQTASA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)O1 ZINC001073660581 686700833 /nfs/dbraw/zinc/70/08/33/686700833.db2.gz JOMZJLIZMYCLFB-JHJVBQTASA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)O1 ZINC001073660581 686700830 /nfs/dbraw/zinc/70/08/30/686700830.db2.gz JOMZJLIZMYCLFB-JHJVBQTASA-N 2 2 328.413 -1.602 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)O1 ZINC001073660581 686700826 /nfs/dbraw/zinc/70/08/26/686700826.db2.gz JOMZJLIZMYCLFB-JHJVBQTASA-N 2 2 328.413 -1.602 20 0 EAADLP CNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660684 686700722 /nfs/dbraw/zinc/70/07/22/686700722.db2.gz LPSJBKXLOGKZOC-HZSPNIEDSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660684 686700721 /nfs/dbraw/zinc/70/07/21/686700721.db2.gz LPSJBKXLOGKZOC-HZSPNIEDSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660684 686700718 /nfs/dbraw/zinc/70/07/18/686700718.db2.gz LPSJBKXLOGKZOC-HZSPNIEDSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660684 686700716 /nfs/dbraw/zinc/70/07/16/686700716.db2.gz LPSJBKXLOGKZOC-HZSPNIEDSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660685 686700544 /nfs/dbraw/zinc/70/05/44/686700544.db2.gz LPSJBKXLOGKZOC-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660685 686700540 /nfs/dbraw/zinc/70/05/40/686700540.db2.gz LPSJBKXLOGKZOC-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660685 686700537 /nfs/dbraw/zinc/70/05/37/686700537.db2.gz LPSJBKXLOGKZOC-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660685 686700534 /nfs/dbraw/zinc/70/05/34/686700534.db2.gz LPSJBKXLOGKZOC-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073741109 686709833 /nfs/dbraw/zinc/70/98/33/686709833.db2.gz OULQAZQDQKEUOT-KBPBESRZSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073741109 686709828 /nfs/dbraw/zinc/70/98/28/686709828.db2.gz OULQAZQDQKEUOT-KBPBESRZSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741109 686709822 /nfs/dbraw/zinc/70/98/22/686709822.db2.gz OULQAZQDQKEUOT-KBPBESRZSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741109 686709821 /nfs/dbraw/zinc/70/98/21/686709821.db2.gz OULQAZQDQKEUOT-KBPBESRZSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073741115 686709894 /nfs/dbraw/zinc/70/98/94/686709894.db2.gz OULQAZQDQKEUOT-KGLIPLIRSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073741115 686709890 /nfs/dbraw/zinc/70/98/90/686709890.db2.gz OULQAZQDQKEUOT-KGLIPLIRSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741115 686709886 /nfs/dbraw/zinc/70/98/86/686709886.db2.gz OULQAZQDQKEUOT-KGLIPLIRSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741115 686709880 /nfs/dbraw/zinc/70/98/80/686709880.db2.gz OULQAZQDQKEUOT-KGLIPLIRSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073741117 686710276 /nfs/dbraw/zinc/71/02/76/686710276.db2.gz OULQAZQDQKEUOT-UONOGXRCSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073741117 686710273 /nfs/dbraw/zinc/71/02/73/686710273.db2.gz OULQAZQDQKEUOT-UONOGXRCSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741117 686710271 /nfs/dbraw/zinc/71/02/71/686710271.db2.gz OULQAZQDQKEUOT-UONOGXRCSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741117 686710268 /nfs/dbraw/zinc/71/02/68/686710268.db2.gz OULQAZQDQKEUOT-UONOGXRCSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073741118 686710112 /nfs/dbraw/zinc/71/01/12/686710112.db2.gz OULQAZQDQKEUOT-ZIAGYGMSSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073741118 686710108 /nfs/dbraw/zinc/71/01/08/686710108.db2.gz OULQAZQDQKEUOT-ZIAGYGMSSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741118 686710106 /nfs/dbraw/zinc/71/01/06/686710106.db2.gz OULQAZQDQKEUOT-ZIAGYGMSSA-N 2 2 342.440 -1.212 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073741118 686710102 /nfs/dbraw/zinc/71/01/02/686710102.db2.gz OULQAZQDQKEUOT-ZIAGYGMSSA-N 2 2 342.440 -1.212 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)CCCO2)C1 ZINC001073895868 686725658 /nfs/dbraw/zinc/72/56/58/686725658.db2.gz DKCQXWWAWUSDDT-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC)CCCO2)C1 ZINC001073895868 686725653 /nfs/dbraw/zinc/72/56/53/686725653.db2.gz DKCQXWWAWUSDDT-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895868 686725648 /nfs/dbraw/zinc/72/56/48/686725648.db2.gz DKCQXWWAWUSDDT-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895868 686725643 /nfs/dbraw/zinc/72/56/43/686725643.db2.gz DKCQXWWAWUSDDT-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)CCCO2)C1 ZINC001073895869 686725607 /nfs/dbraw/zinc/72/56/07/686725607.db2.gz DKCQXWWAWUSDDT-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)CCCO2)C1 ZINC001073895869 686725602 /nfs/dbraw/zinc/72/56/02/686725602.db2.gz DKCQXWWAWUSDDT-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895869 686725596 /nfs/dbraw/zinc/72/55/96/686725596.db2.gz DKCQXWWAWUSDDT-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895869 686725591 /nfs/dbraw/zinc/72/55/91/686725591.db2.gz DKCQXWWAWUSDDT-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)CCCO2)C1 ZINC001073895870 686725338 /nfs/dbraw/zinc/72/53/38/686725338.db2.gz DKCQXWWAWUSDDT-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC)CCCO2)C1 ZINC001073895870 686725335 /nfs/dbraw/zinc/72/53/35/686725335.db2.gz DKCQXWWAWUSDDT-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895870 686725327 /nfs/dbraw/zinc/72/53/27/686725327.db2.gz DKCQXWWAWUSDDT-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895870 686725324 /nfs/dbraw/zinc/72/53/24/686725324.db2.gz DKCQXWWAWUSDDT-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)CCCO2)C1 ZINC001073895871 686725208 /nfs/dbraw/zinc/72/52/08/686725208.db2.gz DKCQXWWAWUSDDT-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)CCCO2)C1 ZINC001073895871 686725206 /nfs/dbraw/zinc/72/52/06/686725206.db2.gz DKCQXWWAWUSDDT-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895871 686725201 /nfs/dbraw/zinc/72/52/01/686725201.db2.gz DKCQXWWAWUSDDT-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC)CCCO2)C1 ZINC001073895871 686725195 /nfs/dbraw/zinc/72/51/95/686725195.db2.gz DKCQXWWAWUSDDT-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073896664 686726181 /nfs/dbraw/zinc/72/61/81/686726181.db2.gz XVKFTNURSQVNCH-CHWSQXEVSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073896664 686726178 /nfs/dbraw/zinc/72/61/78/686726178.db2.gz XVKFTNURSQVNCH-CHWSQXEVSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896664 686726172 /nfs/dbraw/zinc/72/61/72/686726172.db2.gz XVKFTNURSQVNCH-CHWSQXEVSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896664 686726166 /nfs/dbraw/zinc/72/61/66/686726166.db2.gz XVKFTNURSQVNCH-CHWSQXEVSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073896665 686726434 /nfs/dbraw/zinc/72/64/34/686726434.db2.gz XVKFTNURSQVNCH-OLZOCXBDSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073896665 686726431 /nfs/dbraw/zinc/72/64/31/686726431.db2.gz XVKFTNURSQVNCH-OLZOCXBDSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896665 686726427 /nfs/dbraw/zinc/72/64/27/686726427.db2.gz XVKFTNURSQVNCH-OLZOCXBDSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896665 686726421 /nfs/dbraw/zinc/72/64/21/686726421.db2.gz XVKFTNURSQVNCH-OLZOCXBDSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073896666 686726328 /nfs/dbraw/zinc/72/63/28/686726328.db2.gz XVKFTNURSQVNCH-QWHCGFSZSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073896666 686726325 /nfs/dbraw/zinc/72/63/25/686726325.db2.gz XVKFTNURSQVNCH-QWHCGFSZSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896666 686726322 /nfs/dbraw/zinc/72/63/22/686726322.db2.gz XVKFTNURSQVNCH-QWHCGFSZSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896666 686726320 /nfs/dbraw/zinc/72/63/20/686726320.db2.gz XVKFTNURSQVNCH-QWHCGFSZSA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073896667 686726271 /nfs/dbraw/zinc/72/62/71/686726271.db2.gz XVKFTNURSQVNCH-STQMWFEESA-N 2 2 328.413 -1.601 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073896667 686726268 /nfs/dbraw/zinc/72/62/68/686726268.db2.gz XVKFTNURSQVNCH-STQMWFEESA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896667 686726264 /nfs/dbraw/zinc/72/62/64/686726264.db2.gz XVKFTNURSQVNCH-STQMWFEESA-N 2 2 328.413 -1.601 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073896667 686726262 /nfs/dbraw/zinc/72/62/62/686726262.db2.gz XVKFTNURSQVNCH-STQMWFEESA-N 2 2 328.413 -1.601 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581575 686797626 /nfs/dbraw/zinc/79/76/26/686797626.db2.gz FIZOPJKPHXHGBG-IHRRRGAJSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581575 686797622 /nfs/dbraw/zinc/79/76/22/686797622.db2.gz FIZOPJKPHXHGBG-IHRRRGAJSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581576 686798033 /nfs/dbraw/zinc/79/80/33/686798033.db2.gz FIZOPJKPHXHGBG-MELADBBJSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581576 686798028 /nfs/dbraw/zinc/79/80/28/686798028.db2.gz FIZOPJKPHXHGBG-MELADBBJSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581634 686799117 /nfs/dbraw/zinc/79/91/17/686799117.db2.gz HVPOUUPPGWXDPE-SDDRHHMPSA-N 2 2 338.412 -1.482 20 0 EAADLP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581634 686799114 /nfs/dbraw/zinc/79/91/14/686799114.db2.gz HVPOUUPPGWXDPE-SDDRHHMPSA-N 2 2 338.412 -1.482 20 0 EAADLP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581635 686798686 /nfs/dbraw/zinc/79/86/86/686798686.db2.gz HVPOUUPPGWXDPE-SRVKXCTJSA-N 2 2 338.412 -1.482 20 0 EAADLP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581635 686798677 /nfs/dbraw/zinc/79/86/77/686798677.db2.gz HVPOUUPPGWXDPE-SRVKXCTJSA-N 2 2 338.412 -1.482 20 0 EAADLP NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070498 685229598 /nfs/dbraw/zinc/22/95/98/685229598.db2.gz MICGPIGQVGEZKX-GBDWWVHMSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070498 685229595 /nfs/dbraw/zinc/22/95/95/685229595.db2.gz MICGPIGQVGEZKX-GBDWWVHMSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070498 685229590 /nfs/dbraw/zinc/22/95/90/685229590.db2.gz MICGPIGQVGEZKX-GBDWWVHMSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070498 685229585 /nfs/dbraw/zinc/22/95/85/685229585.db2.gz MICGPIGQVGEZKX-GBDWWVHMSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070499 685229374 /nfs/dbraw/zinc/22/93/74/685229374.db2.gz MICGPIGQVGEZKX-QGJIUJSSSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070499 685229371 /nfs/dbraw/zinc/22/93/71/685229371.db2.gz MICGPIGQVGEZKX-QGJIUJSSSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070499 685229368 /nfs/dbraw/zinc/22/93/68/685229368.db2.gz MICGPIGQVGEZKX-QGJIUJSSSA-N 2 2 334.420 -1.132 20 0 EAADLP NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070499 685229362 /nfs/dbraw/zinc/22/93/62/685229362.db2.gz MICGPIGQVGEZKX-QGJIUJSSSA-N 2 2 334.420 -1.132 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001076633203 685269846 /nfs/dbraw/zinc/26/98/46/685269846.db2.gz CMKDBXTVWWJYJM-QWHCGFSZSA-N 2 2 346.391 -1.032 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001076633203 685269844 /nfs/dbraw/zinc/26/98/44/685269844.db2.gz CMKDBXTVWWJYJM-QWHCGFSZSA-N 2 2 346.391 -1.032 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805282 685288839 /nfs/dbraw/zinc/28/88/39/685288839.db2.gz AKFQSKNCRSYMQC-GRYCIOLGSA-N 2 2 339.396 -2.206 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805282 685288834 /nfs/dbraw/zinc/28/88/34/685288834.db2.gz AKFQSKNCRSYMQC-GRYCIOLGSA-N 2 2 339.396 -2.206 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805282 685288831 /nfs/dbraw/zinc/28/88/31/685288831.db2.gz AKFQSKNCRSYMQC-GRYCIOLGSA-N 2 2 339.396 -2.206 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805282 685288829 /nfs/dbraw/zinc/28/88/29/685288829.db2.gz AKFQSKNCRSYMQC-GRYCIOLGSA-N 2 2 339.396 -2.206 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805283 685289317 /nfs/dbraw/zinc/28/93/17/685289317.db2.gz AKFQSKNCRSYMQC-IJLUTSLNSA-N 2 2 339.396 -2.206 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805283 685289313 /nfs/dbraw/zinc/28/93/13/685289313.db2.gz AKFQSKNCRSYMQC-IJLUTSLNSA-N 2 2 339.396 -2.206 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805283 685289309 /nfs/dbraw/zinc/28/93/09/685289309.db2.gz AKFQSKNCRSYMQC-IJLUTSLNSA-N 2 2 339.396 -2.206 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805283 685289307 /nfs/dbraw/zinc/28/93/07/685289307.db2.gz AKFQSKNCRSYMQC-IJLUTSLNSA-N 2 2 339.396 -2.206 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805560 685288653 /nfs/dbraw/zinc/28/86/53/685288653.db2.gz MJXIRACDXKRCDX-FRRDWIJNSA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805560 685288647 /nfs/dbraw/zinc/28/86/47/685288647.db2.gz MJXIRACDXKRCDX-FRRDWIJNSA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805560 685288644 /nfs/dbraw/zinc/28/86/44/685288644.db2.gz MJXIRACDXKRCDX-FRRDWIJNSA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805560 685288642 /nfs/dbraw/zinc/28/86/42/685288642.db2.gz MJXIRACDXKRCDX-FRRDWIJNSA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805561 685289079 /nfs/dbraw/zinc/28/90/79/685289079.db2.gz MJXIRACDXKRCDX-JHJVBQTASA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805561 685289075 /nfs/dbraw/zinc/28/90/75/685289075.db2.gz MJXIRACDXKRCDX-JHJVBQTASA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805561 685289070 /nfs/dbraw/zinc/28/90/70/685289070.db2.gz MJXIRACDXKRCDX-JHJVBQTASA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001076805561 685289067 /nfs/dbraw/zinc/28/90/67/685289067.db2.gz MJXIRACDXKRCDX-JHJVBQTASA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076812555 685291578 /nfs/dbraw/zinc/29/15/78/685291578.db2.gz LEBHEDKCSLCBJD-FRRDWIJNSA-N 2 2 325.413 -1.733 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076812555 685291572 /nfs/dbraw/zinc/29/15/72/685291572.db2.gz LEBHEDKCSLCBJD-FRRDWIJNSA-N 2 2 325.413 -1.733 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001076812555 685291568 /nfs/dbraw/zinc/29/15/68/685291568.db2.gz LEBHEDKCSLCBJD-FRRDWIJNSA-N 2 2 325.413 -1.733 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001076812555 685291564 /nfs/dbraw/zinc/29/15/64/685291564.db2.gz LEBHEDKCSLCBJD-FRRDWIJNSA-N 2 2 325.413 -1.733 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076812556 685291338 /nfs/dbraw/zinc/29/13/38/685291338.db2.gz LEBHEDKCSLCBJD-JHJVBQTASA-N 2 2 325.413 -1.733 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076812556 685291335 /nfs/dbraw/zinc/29/13/35/685291335.db2.gz LEBHEDKCSLCBJD-JHJVBQTASA-N 2 2 325.413 -1.733 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001076812556 685291334 /nfs/dbraw/zinc/29/13/34/685291334.db2.gz LEBHEDKCSLCBJD-JHJVBQTASA-N 2 2 325.413 -1.733 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001076812556 685291330 /nfs/dbraw/zinc/29/13/30/685291330.db2.gz LEBHEDKCSLCBJD-JHJVBQTASA-N 2 2 325.413 -1.733 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001076837092 685293161 /nfs/dbraw/zinc/29/31/61/685293161.db2.gz NVEYJIPJBNPZHW-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001076837092 685293159 /nfs/dbraw/zinc/29/31/59/685293159.db2.gz NVEYJIPJBNPZHW-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837092 685293155 /nfs/dbraw/zinc/29/31/55/685293155.db2.gz NVEYJIPJBNPZHW-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837092 685293152 /nfs/dbraw/zinc/29/31/52/685293152.db2.gz NVEYJIPJBNPZHW-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001076837093 685293357 /nfs/dbraw/zinc/29/33/57/685293357.db2.gz NVEYJIPJBNPZHW-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001076837093 685293354 /nfs/dbraw/zinc/29/33/54/685293354.db2.gz NVEYJIPJBNPZHW-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837093 685293352 /nfs/dbraw/zinc/29/33/52/685293352.db2.gz NVEYJIPJBNPZHW-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837093 685293349 /nfs/dbraw/zinc/29/33/49/685293349.db2.gz NVEYJIPJBNPZHW-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076837257 685293427 /nfs/dbraw/zinc/29/34/27/685293427.db2.gz VXTQTQHDIGJXFU-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076837257 685293425 /nfs/dbraw/zinc/29/34/25/685293425.db2.gz VXTQTQHDIGJXFU-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837257 685293422 /nfs/dbraw/zinc/29/34/22/685293422.db2.gz VXTQTQHDIGJXFU-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837257 685293418 /nfs/dbraw/zinc/29/34/18/685293418.db2.gz VXTQTQHDIGJXFU-KFWWJZLASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076837258 685293493 /nfs/dbraw/zinc/29/34/93/685293493.db2.gz VXTQTQHDIGJXFU-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076837258 685293487 /nfs/dbraw/zinc/29/34/87/685293487.db2.gz VXTQTQHDIGJXFU-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837258 685293485 /nfs/dbraw/zinc/29/34/85/685293485.db2.gz VXTQTQHDIGJXFU-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837258 685293481 /nfs/dbraw/zinc/29/34/81/685293481.db2.gz VXTQTQHDIGJXFU-RBSFLKMASA-N 2 2 337.424 -1.546 20 0 EAADLP O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001077007247 685332814 /nfs/dbraw/zinc/33/28/14/685332814.db2.gz FYTGQCILXDGLGY-RBSFLKMASA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001077007247 685332807 /nfs/dbraw/zinc/33/28/07/685332807.db2.gz FYTGQCILXDGLGY-RBSFLKMASA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001077007248 685333168 /nfs/dbraw/zinc/33/31/68/685333168.db2.gz FYTGQCILXDGLGY-RRFJBIMHSA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001077007248 685333165 /nfs/dbraw/zinc/33/31/65/685333165.db2.gz FYTGQCILXDGLGY-RRFJBIMHSA-N 2 2 336.436 -1.278 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077027581 685336945 /nfs/dbraw/zinc/33/69/45/685336945.db2.gz LZJFYKKUINFBJV-REWJHTLYSA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077027581 685336937 /nfs/dbraw/zinc/33/69/37/685336937.db2.gz LZJFYKKUINFBJV-REWJHTLYSA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001077027581 685336929 /nfs/dbraw/zinc/33/69/29/685336929.db2.gz LZJFYKKUINFBJV-REWJHTLYSA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001077027581 685336922 /nfs/dbraw/zinc/33/69/22/685336922.db2.gz LZJFYKKUINFBJV-REWJHTLYSA-N 2 2 326.441 -1.034 20 0 EAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219774 685377211 /nfs/dbraw/zinc/37/72/11/685377211.db2.gz XUUHAYFKNRNSOW-HZSPNIEDSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219774 685377203 /nfs/dbraw/zinc/37/72/03/685377203.db2.gz XUUHAYFKNRNSOW-HZSPNIEDSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219775 685378104 /nfs/dbraw/zinc/37/81/04/685378104.db2.gz XUUHAYFKNRNSOW-MGPQQGTHSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219775 685378096 /nfs/dbraw/zinc/37/80/96/685378096.db2.gz XUUHAYFKNRNSOW-MGPQQGTHSA-N 2 2 336.436 -1.088 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)O1 ZINC001077220730 685377909 /nfs/dbraw/zinc/37/79/09/685377909.db2.gz RMOFCQBYGWAJKM-KBUPBQIOSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)O1 ZINC001077220730 685377900 /nfs/dbraw/zinc/37/79/00/685377900.db2.gz RMOFCQBYGWAJKM-KBUPBQIOSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)O1 ZINC001077220730 685377895 /nfs/dbraw/zinc/37/78/95/685377895.db2.gz RMOFCQBYGWAJKM-KBUPBQIOSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)O1 ZINC001077220730 685377887 /nfs/dbraw/zinc/37/78/87/685377887.db2.gz RMOFCQBYGWAJKM-KBUPBQIOSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)O1 ZINC001077221748 685379026 /nfs/dbraw/zinc/37/90/26/685379026.db2.gz ZYOQEBMHAUQHJD-AAVRWANBSA-N 2 2 338.412 -1.842 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)O1 ZINC001077221748 685379022 /nfs/dbraw/zinc/37/90/22/685379022.db2.gz ZYOQEBMHAUQHJD-AAVRWANBSA-N 2 2 338.412 -1.842 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)O1 ZINC001077221748 685379015 /nfs/dbraw/zinc/37/90/15/685379015.db2.gz ZYOQEBMHAUQHJD-AAVRWANBSA-N 2 2 338.412 -1.842 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)O1 ZINC001077221748 685379009 /nfs/dbraw/zinc/37/90/09/685379009.db2.gz ZYOQEBMHAUQHJD-AAVRWANBSA-N 2 2 338.412 -1.842 20 0 EAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077236769 685380593 /nfs/dbraw/zinc/38/05/93/685380593.db2.gz RJFOJBJIDQENGN-HZSPNIEDSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077236769 685380589 /nfs/dbraw/zinc/38/05/89/685380589.db2.gz RJFOJBJIDQENGN-HZSPNIEDSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077236769 685380584 /nfs/dbraw/zinc/38/05/84/685380584.db2.gz RJFOJBJIDQENGN-HZSPNIEDSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077236769 685380579 /nfs/dbraw/zinc/38/05/79/685380579.db2.gz RJFOJBJIDQENGN-HZSPNIEDSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077236771 685380562 /nfs/dbraw/zinc/38/05/62/685380562.db2.gz RJFOJBJIDQENGN-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077236771 685380557 /nfs/dbraw/zinc/38/05/57/685380557.db2.gz RJFOJBJIDQENGN-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077236771 685380552 /nfs/dbraw/zinc/38/05/52/685380552.db2.gz RJFOJBJIDQENGN-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077236771 685380548 /nfs/dbraw/zinc/38/05/48/685380548.db2.gz RJFOJBJIDQENGN-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077392441 685416430 /nfs/dbraw/zinc/41/64/30/685416430.db2.gz BUVATGVEBFCWCM-CHWSQXEVSA-N 2 2 349.391 -1.498 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077392441 685416426 /nfs/dbraw/zinc/41/64/26/685416426.db2.gz BUVATGVEBFCWCM-CHWSQXEVSA-N 2 2 349.391 -1.498 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001077392937 685416130 /nfs/dbraw/zinc/41/61/30/685416130.db2.gz YDTCGVUHIAZQCP-RBSFLKMASA-N 2 2 348.407 -1.390 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001077392937 685416128 /nfs/dbraw/zinc/41/61/28/685416128.db2.gz YDTCGVUHIAZQCP-RBSFLKMASA-N 2 2 348.407 -1.390 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001077392938 685416212 /nfs/dbraw/zinc/41/62/12/685416212.db2.gz YDTCGVUHIAZQCP-RRFJBIMHSA-N 2 2 348.407 -1.390 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001077392938 685416209 /nfs/dbraw/zinc/41/62/09/685416209.db2.gz YDTCGVUHIAZQCP-RRFJBIMHSA-N 2 2 348.407 -1.390 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077392956 685416029 /nfs/dbraw/zinc/41/60/29/685416029.db2.gz YZVJQEVNRIQMKF-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077392956 685416026 /nfs/dbraw/zinc/41/60/26/685416026.db2.gz YZVJQEVNRIQMKF-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077394831 685415923 /nfs/dbraw/zinc/41/59/23/685415923.db2.gz GNJMWHSOYXBMTE-CHWSQXEVSA-N 2 2 336.396 -1.622 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077394831 685415921 /nfs/dbraw/zinc/41/59/21/685415921.db2.gz GNJMWHSOYXBMTE-CHWSQXEVSA-N 2 2 336.396 -1.622 20 0 EAADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001077394911 685415897 /nfs/dbraw/zinc/41/58/97/685415897.db2.gz KANGLNXMPRFSMD-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001077394911 685415893 /nfs/dbraw/zinc/41/58/93/685415893.db2.gz KANGLNXMPRFSMD-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001077394912 685416179 /nfs/dbraw/zinc/41/61/79/685416179.db2.gz KANGLNXMPRFSMD-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001077394912 685416177 /nfs/dbraw/zinc/41/61/77/685416177.db2.gz KANGLNXMPRFSMD-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077395219 685416284 /nfs/dbraw/zinc/41/62/84/685416284.db2.gz ZRNHNLHTHOUATP-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077395219 685416278 /nfs/dbraw/zinc/41/62/78/685416278.db2.gz ZRNHNLHTHOUATP-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077395220 685416147 /nfs/dbraw/zinc/41/61/47/685416147.db2.gz ZRNHNLHTHOUATP-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077395220 685416144 /nfs/dbraw/zinc/41/61/44/685416144.db2.gz ZRNHNLHTHOUATP-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077571033 685602819 /nfs/dbraw/zinc/60/28/19/685602819.db2.gz GITILKINBAKQJO-IGQOVBAYSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077571033 685602816 /nfs/dbraw/zinc/60/28/16/685602816.db2.gz GITILKINBAKQJO-IGQOVBAYSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001077571033 685602811 /nfs/dbraw/zinc/60/28/11/685602811.db2.gz GITILKINBAKQJO-IGQOVBAYSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001077571033 685602808 /nfs/dbraw/zinc/60/28/08/685602808.db2.gz GITILKINBAKQJO-IGQOVBAYSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618389 685615636 /nfs/dbraw/zinc/61/56/36/685615636.db2.gz HCQNHNAIAYKGLN-IACUBPJLSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618389 685615629 /nfs/dbraw/zinc/61/56/29/685615629.db2.gz HCQNHNAIAYKGLN-IACUBPJLSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618391 685615715 /nfs/dbraw/zinc/61/57/15/685615715.db2.gz HCQNHNAIAYKGLN-MRVWCRGKSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618391 685615710 /nfs/dbraw/zinc/61/57/10/685615710.db2.gz HCQNHNAIAYKGLN-MRVWCRGKSA-N 2 2 326.441 -1.034 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077618433 685615651 /nfs/dbraw/zinc/61/56/51/685615651.db2.gz IFJNVFKXIIVDCD-FRRDWIJNSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077618433 685615647 /nfs/dbraw/zinc/61/56/47/685615647.db2.gz IFJNVFKXIIVDCD-FRRDWIJNSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077618434 685615594 /nfs/dbraw/zinc/61/55/94/685615594.db2.gz IFJNVFKXIIVDCD-JHJVBQTASA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077618434 685615589 /nfs/dbraw/zinc/61/55/89/685615589.db2.gz IFJNVFKXIIVDCD-JHJVBQTASA-N 2 2 338.408 -1.705 20 0 EAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077675830 685623219 /nfs/dbraw/zinc/62/32/19/685623219.db2.gz ZWNJPYGZMUHLOU-BFHYXJOUSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077675830 685623217 /nfs/dbraw/zinc/62/32/17/685623217.db2.gz ZWNJPYGZMUHLOU-BFHYXJOUSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077675830 685623216 /nfs/dbraw/zinc/62/32/16/685623216.db2.gz ZWNJPYGZMUHLOU-BFHYXJOUSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077675830 685623215 /nfs/dbraw/zinc/62/32/15/685623215.db2.gz ZWNJPYGZMUHLOU-BFHYXJOUSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077675831 685623069 /nfs/dbraw/zinc/62/30/69/685623069.db2.gz ZWNJPYGZMUHLOU-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077675831 685623065 /nfs/dbraw/zinc/62/30/65/685623065.db2.gz ZWNJPYGZMUHLOU-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077675831 685623060 /nfs/dbraw/zinc/62/30/60/685623060.db2.gz ZWNJPYGZMUHLOU-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001077675831 685623057 /nfs/dbraw/zinc/62/30/57/685623057.db2.gz ZWNJPYGZMUHLOU-MGPQQGTHSA-N 2 2 339.440 -1.343 20 0 EAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679579 685623252 /nfs/dbraw/zinc/62/32/52/685623252.db2.gz WFHFATHZYOHFBQ-BFHYXJOUSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679579 685623247 /nfs/dbraw/zinc/62/32/47/685623247.db2.gz WFHFATHZYOHFBQ-BFHYXJOUSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679579 685623242 /nfs/dbraw/zinc/62/32/42/685623242.db2.gz WFHFATHZYOHFBQ-BFHYXJOUSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679579 685623239 /nfs/dbraw/zinc/62/32/39/685623239.db2.gz WFHFATHZYOHFBQ-BFHYXJOUSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679580 685623386 /nfs/dbraw/zinc/62/33/86/685623386.db2.gz WFHFATHZYOHFBQ-MGPQQGTHSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679580 685623385 /nfs/dbraw/zinc/62/33/85/685623385.db2.gz WFHFATHZYOHFBQ-MGPQQGTHSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679580 685623383 /nfs/dbraw/zinc/62/33/83/685623383.db2.gz WFHFATHZYOHFBQ-MGPQQGTHSA-N 2 2 339.440 -1.485 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077679580 685623381 /nfs/dbraw/zinc/62/33/81/685623381.db2.gz WFHFATHZYOHFBQ-MGPQQGTHSA-N 2 2 339.440 -1.485 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778271 685638817 /nfs/dbraw/zinc/63/88/17/685638817.db2.gz ADIBJHSQCPVOJS-ZIAGYGMSSA-N 2 2 326.441 -1.032 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778271 685638814 /nfs/dbraw/zinc/63/88/14/685638814.db2.gz ADIBJHSQCPVOJS-ZIAGYGMSSA-N 2 2 326.441 -1.032 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078007630 685675018 /nfs/dbraw/zinc/67/50/18/685675018.db2.gz WSUWXZLZLZTPOI-RBSFLKMASA-N 2 2 348.407 -1.619 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078007630 685675016 /nfs/dbraw/zinc/67/50/16/685675016.db2.gz WSUWXZLZLZTPOI-RBSFLKMASA-N 2 2 348.407 -1.619 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078007631 685675380 /nfs/dbraw/zinc/67/53/80/685675380.db2.gz WSUWXZLZLZTPOI-RRFJBIMHSA-N 2 2 348.407 -1.619 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078007631 685675378 /nfs/dbraw/zinc/67/53/78/685675378.db2.gz WSUWXZLZLZTPOI-RRFJBIMHSA-N 2 2 348.407 -1.619 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001078007743 685674986 /nfs/dbraw/zinc/67/49/86/685674986.db2.gz YXYZZUDYRAITIG-IACUBPJLSA-N 2 2 345.407 -1.097 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001078007743 685674985 /nfs/dbraw/zinc/67/49/85/685674985.db2.gz YXYZZUDYRAITIG-IACUBPJLSA-N 2 2 345.407 -1.097 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001078007744 685675006 /nfs/dbraw/zinc/67/50/06/685675006.db2.gz YXYZZUDYRAITIG-MRVWCRGKSA-N 2 2 345.407 -1.097 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001078007744 685675005 /nfs/dbraw/zinc/67/50/05/685675005.db2.gz YXYZZUDYRAITIG-MRVWCRGKSA-N 2 2 345.407 -1.097 20 0 EAADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011682 685676556 /nfs/dbraw/zinc/67/65/56/685676556.db2.gz BNZJSDKYQGTNQZ-IACUBPJLSA-N 2 2 336.436 -1.089 20 0 EAADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011682 685676551 /nfs/dbraw/zinc/67/65/51/685676551.db2.gz BNZJSDKYQGTNQZ-IACUBPJLSA-N 2 2 336.436 -1.089 20 0 EAADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011683 685676729 /nfs/dbraw/zinc/67/67/29/685676729.db2.gz BNZJSDKYQGTNQZ-MRVWCRGKSA-N 2 2 336.436 -1.089 20 0 EAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011683 685676725 /nfs/dbraw/zinc/67/67/25/685676725.db2.gz BNZJSDKYQGTNQZ-MRVWCRGKSA-N 2 2 336.436 -1.089 20 0 EAADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001078011905 685675988 /nfs/dbraw/zinc/67/59/88/685675988.db2.gz NEQJBCNAQOZJJE-ZIAGYGMSSA-N 2 2 336.436 -1.136 20 0 EAADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001078011905 685675986 /nfs/dbraw/zinc/67/59/86/685675986.db2.gz NEQJBCNAQOZJJE-ZIAGYGMSSA-N 2 2 336.436 -1.136 20 0 EAADLP O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC001078011947 685676494 /nfs/dbraw/zinc/67/64/94/685676494.db2.gz OWBHOECFMSNULU-ZIAGYGMSSA-N 2 2 336.436 -1.134 20 0 EAADLP O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC001078011947 685676488 /nfs/dbraw/zinc/67/64/88/685676488.db2.gz OWBHOECFMSNULU-ZIAGYGMSSA-N 2 2 336.436 -1.134 20 0 EAADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078012123 685676259 /nfs/dbraw/zinc/67/62/59/685676259.db2.gz WJMZQLYBSXWLNT-HZSPNIEDSA-N 2 2 336.436 -1.136 20 0 EAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078012123 685676252 /nfs/dbraw/zinc/67/62/52/685676252.db2.gz WJMZQLYBSXWLNT-HZSPNIEDSA-N 2 2 336.436 -1.136 20 0 EAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078012124 685676005 /nfs/dbraw/zinc/67/60/05/685676005.db2.gz WJMZQLYBSXWLNT-MGPQQGTHSA-N 2 2 336.436 -1.136 20 0 EAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078012124 685676002 /nfs/dbraw/zinc/67/60/02/685676002.db2.gz WJMZQLYBSXWLNT-MGPQQGTHSA-N 2 2 336.436 -1.136 20 0 EAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013176 685676161 /nfs/dbraw/zinc/67/61/61/685676161.db2.gz VUXFLBNEDFQWBT-GRYCIOLGSA-N 2 2 336.392 -1.951 20 0 EAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013176 685676155 /nfs/dbraw/zinc/67/61/55/685676155.db2.gz VUXFLBNEDFQWBT-GRYCIOLGSA-N 2 2 336.392 -1.951 20 0 EAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013177 685676082 /nfs/dbraw/zinc/67/60/82/685676082.db2.gz VUXFLBNEDFQWBT-IJLUTSLNSA-N 2 2 336.392 -1.951 20 0 EAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013177 685676076 /nfs/dbraw/zinc/67/60/76/685676076.db2.gz VUXFLBNEDFQWBT-IJLUTSLNSA-N 2 2 336.392 -1.951 20 0 EAADLP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078013289 685676579 /nfs/dbraw/zinc/67/65/79/685676579.db2.gz ZVGLQLIQWCDVOT-HZSPNIEDSA-N 2 2 336.436 -1.136 20 0 EAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078013289 685676571 /nfs/dbraw/zinc/67/65/71/685676571.db2.gz ZVGLQLIQWCDVOT-HZSPNIEDSA-N 2 2 336.436 -1.136 20 0 EAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078013290 685676245 /nfs/dbraw/zinc/67/62/45/685676245.db2.gz ZVGLQLIQWCDVOT-MGPQQGTHSA-N 2 2 336.436 -1.136 20 0 EAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078013290 685676241 /nfs/dbraw/zinc/67/62/41/685676241.db2.gz ZVGLQLIQWCDVOT-MGPQQGTHSA-N 2 2 336.436 -1.136 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078083271 685684883 /nfs/dbraw/zinc/68/48/83/685684883.db2.gz PMRCDHFDFNXLAF-BPLDGKMQSA-N 2 2 348.407 -1.320 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078083271 685684880 /nfs/dbraw/zinc/68/48/80/685684880.db2.gz PMRCDHFDFNXLAF-BPLDGKMQSA-N 2 2 348.407 -1.320 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078083272 685684937 /nfs/dbraw/zinc/68/49/37/685684937.db2.gz PMRCDHFDFNXLAF-NWANDNLSSA-N 2 2 348.407 -1.320 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078083272 685684934 /nfs/dbraw/zinc/68/49/34/685684934.db2.gz PMRCDHFDFNXLAF-NWANDNLSSA-N 2 2 348.407 -1.320 20 0 EAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175274 685703554 /nfs/dbraw/zinc/70/35/54/685703554.db2.gz XWCVLSWKQJZHAI-BFHYXJOUSA-N 2 2 340.424 -2.042 20 0 EAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175274 685703551 /nfs/dbraw/zinc/70/35/51/685703551.db2.gz XWCVLSWKQJZHAI-BFHYXJOUSA-N 2 2 340.424 -2.042 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175274 685703548 /nfs/dbraw/zinc/70/35/48/685703548.db2.gz XWCVLSWKQJZHAI-BFHYXJOUSA-N 2 2 340.424 -2.042 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175274 685703546 /nfs/dbraw/zinc/70/35/46/685703546.db2.gz XWCVLSWKQJZHAI-BFHYXJOUSA-N 2 2 340.424 -2.042 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175284 685703663 /nfs/dbraw/zinc/70/36/63/685703663.db2.gz XWCVLSWKQJZHAI-MGPQQGTHSA-N 2 2 340.424 -2.042 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175284 685703658 /nfs/dbraw/zinc/70/36/58/685703658.db2.gz XWCVLSWKQJZHAI-MGPQQGTHSA-N 2 2 340.424 -2.042 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175284 685703657 /nfs/dbraw/zinc/70/36/57/685703657.db2.gz XWCVLSWKQJZHAI-MGPQQGTHSA-N 2 2 340.424 -2.042 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078175284 685703653 /nfs/dbraw/zinc/70/36/53/685703653.db2.gz XWCVLSWKQJZHAI-MGPQQGTHSA-N 2 2 340.424 -2.042 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001078179924 685703432 /nfs/dbraw/zinc/70/34/32/685703432.db2.gz DWTGFVSXSUKBKJ-VXGBXAGGSA-N 2 2 339.396 -2.205 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001078179924 685703430 /nfs/dbraw/zinc/70/34/30/685703430.db2.gz DWTGFVSXSUKBKJ-VXGBXAGGSA-N 2 2 339.396 -2.205 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001078180130 685703820 /nfs/dbraw/zinc/70/38/20/685703820.db2.gz NXWYHZHQJFGIRB-CHWSQXEVSA-N 2 2 338.408 -1.608 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001078180130 685703817 /nfs/dbraw/zinc/70/38/17/685703817.db2.gz NXWYHZHQJFGIRB-CHWSQXEVSA-N 2 2 338.408 -1.608 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078180270 685705042 /nfs/dbraw/zinc/70/50/42/685705042.db2.gz VKGYSELTQKLCGP-CHWSQXEVSA-N 2 2 325.413 -1.731 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078180270 685705037 /nfs/dbraw/zinc/70/50/37/685705037.db2.gz VKGYSELTQKLCGP-CHWSQXEVSA-N 2 2 325.413 -1.731 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078180289 685704611 /nfs/dbraw/zinc/70/46/11/685704611.db2.gz WHMFJXPIVHIFNB-RBSFLKMASA-N 2 2 337.424 -1.499 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078180289 685704607 /nfs/dbraw/zinc/70/46/07/685704607.db2.gz WHMFJXPIVHIFNB-RBSFLKMASA-N 2 2 337.424 -1.499 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078180290 685704589 /nfs/dbraw/zinc/70/45/89/685704589.db2.gz WHMFJXPIVHIFNB-RRFJBIMHSA-N 2 2 337.424 -1.499 20 0 EAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078180290 685704584 /nfs/dbraw/zinc/70/45/84/685704584.db2.gz WHMFJXPIVHIFNB-RRFJBIMHSA-N 2 2 337.424 -1.499 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078182215 685711078 /nfs/dbraw/zinc/71/10/78/685711078.db2.gz KTDPHEKCESTODE-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078182215 685711071 /nfs/dbraw/zinc/71/10/71/685711071.db2.gz KTDPHEKCESTODE-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001078182253 685710909 /nfs/dbraw/zinc/71/09/09/685710909.db2.gz MNKJMJYJAIOTEK-CHWSQXEVSA-N 2 2 349.391 -1.498 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001078182253 685710908 /nfs/dbraw/zinc/71/09/08/685710908.db2.gz MNKJMJYJAIOTEK-CHWSQXEVSA-N 2 2 349.391 -1.498 20 0 EAADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001078182522 685707145 /nfs/dbraw/zinc/70/71/45/685707145.db2.gz ZGKLWOVGZZPWMQ-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001078182522 685707144 /nfs/dbraw/zinc/70/71/44/685707144.db2.gz ZGKLWOVGZZPWMQ-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001078182523 685707185 /nfs/dbraw/zinc/70/71/85/685707185.db2.gz ZGKLWOVGZZPWMQ-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001078182523 685707183 /nfs/dbraw/zinc/70/71/83/685707183.db2.gz ZGKLWOVGZZPWMQ-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078183295 685706525 /nfs/dbraw/zinc/70/65/25/685706525.db2.gz KSYUZIGMMJVVIT-GRYCIOLGSA-N 2 2 335.364 -1.842 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078183295 685706521 /nfs/dbraw/zinc/70/65/21/685706521.db2.gz KSYUZIGMMJVVIT-GRYCIOLGSA-N 2 2 335.364 -1.842 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078183296 685706916 /nfs/dbraw/zinc/70/69/16/685706916.db2.gz KSYUZIGMMJVVIT-IJLUTSLNSA-N 2 2 335.364 -1.842 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001078183296 685706911 /nfs/dbraw/zinc/70/69/11/685706911.db2.gz KSYUZIGMMJVVIT-IJLUTSLNSA-N 2 2 335.364 -1.842 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078183499 685706782 /nfs/dbraw/zinc/70/67/82/685706782.db2.gz ULXXMIWQYJOGRF-CHWSQXEVSA-N 2 2 336.396 -1.622 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078183499 685706780 /nfs/dbraw/zinc/70/67/80/685706780.db2.gz ULXXMIWQYJOGRF-CHWSQXEVSA-N 2 2 336.396 -1.622 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001078183507 685707087 /nfs/dbraw/zinc/70/70/87/685707087.db2.gz UVVZNKURPAKXLY-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001078183507 685707084 /nfs/dbraw/zinc/70/70/84/685707084.db2.gz UVVZNKURPAKXLY-HZSPNIEDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001078183508 685706714 /nfs/dbraw/zinc/70/67/14/685706714.db2.gz UVVZNKURPAKXLY-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001078183508 685706709 /nfs/dbraw/zinc/70/67/09/685706709.db2.gz UVVZNKURPAKXLY-MGPQQGTHSA-N 2 2 335.408 -1.026 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205961 685713673 /nfs/dbraw/zinc/71/36/73/685713673.db2.gz KKLDNBAOSOCHCY-MCIONIFRSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205961 685713669 /nfs/dbraw/zinc/71/36/69/685713669.db2.gz KKLDNBAOSOCHCY-MCIONIFRSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205961 685713664 /nfs/dbraw/zinc/71/36/64/685713664.db2.gz KKLDNBAOSOCHCY-MCIONIFRSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205961 685713658 /nfs/dbraw/zinc/71/36/58/685713658.db2.gz KKLDNBAOSOCHCY-MCIONIFRSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205962 685713783 /nfs/dbraw/zinc/71/37/83/685713783.db2.gz KKLDNBAOSOCHCY-MGPQQGTHSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205962 685713780 /nfs/dbraw/zinc/71/37/80/685713780.db2.gz KKLDNBAOSOCHCY-MGPQQGTHSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205962 685713775 /nfs/dbraw/zinc/71/37/75/685713775.db2.gz KKLDNBAOSOCHCY-MGPQQGTHSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078205962 685713769 /nfs/dbraw/zinc/71/37/69/685713769.db2.gz KKLDNBAOSOCHCY-MGPQQGTHSA-N 2 2 338.412 -1.840 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206083 685713924 /nfs/dbraw/zinc/71/39/24/685713924.db2.gz OTBALBVTKKKADX-KFWWJZLASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206083 685713919 /nfs/dbraw/zinc/71/39/19/685713919.db2.gz OTBALBVTKKKADX-KFWWJZLASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206083 685713914 /nfs/dbraw/zinc/71/39/14/685713914.db2.gz OTBALBVTKKKADX-KFWWJZLASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206083 685713909 /nfs/dbraw/zinc/71/39/09/685713909.db2.gz OTBALBVTKKKADX-KFWWJZLASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206084 685713749 /nfs/dbraw/zinc/71/37/49/685713749.db2.gz OTBALBVTKKKADX-RBSFLKMASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206084 685713743 /nfs/dbraw/zinc/71/37/43/685713743.db2.gz OTBALBVTKKKADX-RBSFLKMASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206084 685713736 /nfs/dbraw/zinc/71/37/36/685713736.db2.gz OTBALBVTKKKADX-RBSFLKMASA-N 2 2 337.424 -1.235 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078206084 685713729 /nfs/dbraw/zinc/71/37/29/685713729.db2.gz OTBALBVTKKKADX-RBSFLKMASA-N 2 2 337.424 -1.235 20 0 EAADLP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1=O ZINC001078270321 685719658 /nfs/dbraw/zinc/71/96/58/685719658.db2.gz POWSZRIYPRFMNJ-ZIAGYGMSSA-N 2 2 331.376 -1.057 20 0 EAADLP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1=O ZINC001078270321 685719655 /nfs/dbraw/zinc/71/96/55/685719655.db2.gz POWSZRIYPRFMNJ-ZIAGYGMSSA-N 2 2 331.376 -1.057 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001078272137 685719757 /nfs/dbraw/zinc/71/97/57/685719757.db2.gz JDXXFUVSTZYPMV-BFHYXJOUSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001078272137 685719753 /nfs/dbraw/zinc/71/97/53/685719753.db2.gz JDXXFUVSTZYPMV-BFHYXJOUSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001078272138 685719935 /nfs/dbraw/zinc/71/99/35/685719935.db2.gz JDXXFUVSTZYPMV-MGPQQGTHSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001078272138 685719931 /nfs/dbraw/zinc/71/99/31/685719931.db2.gz JDXXFUVSTZYPMV-MGPQQGTHSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001078272238 685720204 /nfs/dbraw/zinc/72/02/04/685720204.db2.gz ODBOPWKUXLUYQM-JHJVBQTASA-N 2 2 331.380 -1.177 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001078272238 685720203 /nfs/dbraw/zinc/72/02/03/685720203.db2.gz ODBOPWKUXLUYQM-JHJVBQTASA-N 2 2 331.380 -1.177 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001078272239 685720178 /nfs/dbraw/zinc/72/01/78/685720178.db2.gz ODBOPWKUXLUYQM-YNEHKIRRSA-N 2 2 331.380 -1.177 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001078272239 685720175 /nfs/dbraw/zinc/72/01/75/685720175.db2.gz ODBOPWKUXLUYQM-YNEHKIRRSA-N 2 2 331.380 -1.177 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078272335 685720126 /nfs/dbraw/zinc/72/01/26/685720126.db2.gz RVJXBBQHQUGAPI-BFHYXJOUSA-N 2 2 334.380 -1.698 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078272335 685720122 /nfs/dbraw/zinc/72/01/22/685720122.db2.gz RVJXBBQHQUGAPI-BFHYXJOUSA-N 2 2 334.380 -1.698 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078272336 685720013 /nfs/dbraw/zinc/72/00/13/685720013.db2.gz RVJXBBQHQUGAPI-MGPQQGTHSA-N 2 2 334.380 -1.698 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078272336 685720008 /nfs/dbraw/zinc/72/00/08/685720008.db2.gz RVJXBBQHQUGAPI-MGPQQGTHSA-N 2 2 334.380 -1.698 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078478789 685741711 /nfs/dbraw/zinc/74/17/11/685741711.db2.gz LYYJGYAYYHGARN-CHWSQXEVSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078478790 685741676 /nfs/dbraw/zinc/74/16/76/685741676.db2.gz LYYJGYAYYHGARN-OLZOCXBDSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078478791 685741416 /nfs/dbraw/zinc/74/14/16/685741416.db2.gz LYYJGYAYYHGARN-QWHCGFSZSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078478792 685741824 /nfs/dbraw/zinc/74/18/24/685741824.db2.gz LYYJGYAYYHGARN-STQMWFEESA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078492548 685742991 /nfs/dbraw/zinc/74/29/91/685742991.db2.gz SRVICYZKKRLJGI-NEPJUHHUSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078492549 685743202 /nfs/dbraw/zinc/74/32/02/685743202.db2.gz SRVICYZKKRLJGI-NWDGAFQWSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078492550 685743217 /nfs/dbraw/zinc/74/32/17/685743217.db2.gz SRVICYZKKRLJGI-RYUDHWBXSA-N 2 2 349.391 -1.036 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078492551 685743398 /nfs/dbraw/zinc/74/33/98/685743398.db2.gz SRVICYZKKRLJGI-VXGBXAGGSA-N 2 2 349.391 -1.036 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)nc1=O ZINC001078513780 685745510 /nfs/dbraw/zinc/74/55/10/685745510.db2.gz AXHMYVMMWHWKAQ-GFCCVEGCSA-N 2 2 349.395 -1.288 20 0 EAADLP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)nc1=O ZINC001078513781 685745416 /nfs/dbraw/zinc/74/54/16/685745416.db2.gz AXHMYVMMWHWKAQ-LBPRGKRZSA-N 2 2 349.395 -1.288 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078514800 685745923 /nfs/dbraw/zinc/74/59/23/685745923.db2.gz YNEZOJXRNRVXTB-CHWSQXEVSA-N 2 2 349.391 -1.105 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078514801 685746093 /nfs/dbraw/zinc/74/60/93/685746093.db2.gz YNEZOJXRNRVXTB-OLZOCXBDSA-N 2 2 349.391 -1.105 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001078514802 685745393 /nfs/dbraw/zinc/74/53/93/685745393.db2.gz YNEZOJXRNRVXTB-QWHCGFSZSA-N 2 2 349.391 -1.105 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001078514803 685745615 /nfs/dbraw/zinc/74/56/15/685745615.db2.gz YNEZOJXRNRVXTB-STQMWFEESA-N 2 2 349.391 -1.105 20 0 EAADLP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526958 685822937 /nfs/dbraw/zinc/82/29/37/685822937.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526958 685822932 /nfs/dbraw/zinc/82/29/32/685822932.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526958 685822928 /nfs/dbraw/zinc/82/29/28/685822928.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526958 685822924 /nfs/dbraw/zinc/82/29/24/685822924.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526959 685823026 /nfs/dbraw/zinc/82/30/26/685823026.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526959 685823021 /nfs/dbraw/zinc/82/30/21/685823021.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526959 685823014 /nfs/dbraw/zinc/82/30/14/685823014.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526959 685823009 /nfs/dbraw/zinc/82/30/09/685823009.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 2 339.440 -1.221 20 0 EAADLP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782718 685884418 /nfs/dbraw/zinc/88/44/18/685884418.db2.gz YNJKUGCKJHXNEO-DGCLKSJQSA-N 2 2 348.407 -1.049 20 0 EAADLP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782718 685884417 /nfs/dbraw/zinc/88/44/17/685884417.db2.gz YNJKUGCKJHXNEO-DGCLKSJQSA-N 2 2 348.407 -1.049 20 0 EAADLP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038101 685913381 /nfs/dbraw/zinc/91/33/81/685913381.db2.gz NVFDRHGTKLLZLE-VXGBXAGGSA-N 2 2 334.380 -1.129 20 0 EAADLP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038101 685913378 /nfs/dbraw/zinc/91/33/78/685913378.db2.gz NVFDRHGTKLLZLE-VXGBXAGGSA-N 2 2 334.380 -1.129 20 0 EAADLP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445798 686022507 /nfs/dbraw/zinc/02/25/07/686022507.db2.gz BCGQLLZIWMQOSD-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445798 686022501 /nfs/dbraw/zinc/02/25/01/686022501.db2.gz BCGQLLZIWMQOSD-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445798 686022496 /nfs/dbraw/zinc/02/24/96/686022496.db2.gz BCGQLLZIWMQOSD-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445798 686022492 /nfs/dbraw/zinc/02/24/92/686022492.db2.gz BCGQLLZIWMQOSD-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445799 686022216 /nfs/dbraw/zinc/02/22/16/686022216.db2.gz BCGQLLZIWMQOSD-MGPQQGTHSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445799 686022215 /nfs/dbraw/zinc/02/22/15/686022215.db2.gz BCGQLLZIWMQOSD-MGPQQGTHSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445799 686022212 /nfs/dbraw/zinc/02/22/12/686022212.db2.gz BCGQLLZIWMQOSD-MGPQQGTHSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445799 686022211 /nfs/dbraw/zinc/02/22/11/686022211.db2.gz BCGQLLZIWMQOSD-MGPQQGTHSA-N 2 2 339.440 -1.079 20 0 EAADLP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481329 686014803 /nfs/dbraw/zinc/01/48/03/686014803.db2.gz DRXLRDNLLLXJRB-MCIONIFRSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481329 686014795 /nfs/dbraw/zinc/01/47/95/686014795.db2.gz DRXLRDNLLLXJRB-MCIONIFRSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481329 686014787 /nfs/dbraw/zinc/01/47/87/686014787.db2.gz DRXLRDNLLLXJRB-MCIONIFRSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481329 686014780 /nfs/dbraw/zinc/01/47/80/686014780.db2.gz DRXLRDNLLLXJRB-MCIONIFRSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481330 686015313 /nfs/dbraw/zinc/01/53/13/686015313.db2.gz DRXLRDNLLLXJRB-MGPQQGTHSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481330 686015307 /nfs/dbraw/zinc/01/53/07/686015307.db2.gz DRXLRDNLLLXJRB-MGPQQGTHSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481330 686015301 /nfs/dbraw/zinc/01/53/01/686015301.db2.gz DRXLRDNLLLXJRB-MGPQQGTHSA-N 2 2 338.412 -1.576 20 0 EAADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481330 686015295 /nfs/dbraw/zinc/01/52/95/686015295.db2.gz DRXLRDNLLLXJRB-MGPQQGTHSA-N 2 2 338.412 -1.576 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500307 686031967 /nfs/dbraw/zinc/03/19/67/686031967.db2.gz SKFQJKRUYAXDOL-DZGCQCFKSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500308 686032298 /nfs/dbraw/zinc/03/22/98/686032298.db2.gz SKFQJKRUYAXDOL-HIFRSBDPSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081500309 686031843 /nfs/dbraw/zinc/03/18/43/686031843.db2.gz SKFQJKRUYAXDOL-UKRRQHHQSA-N 2 2 349.435 -1.006 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500310 686032144 /nfs/dbraw/zinc/03/21/44/686032144.db2.gz SKFQJKRUYAXDOL-ZFWWWQNUSA-N 2 2 349.435 -1.006 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081500323 686032019 /nfs/dbraw/zinc/03/20/19/686032019.db2.gz SQBXVPMADVXIDJ-KBPBESRZSA-N 2 2 335.408 -1.086 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081500324 686031986 /nfs/dbraw/zinc/03/19/86/686031986.db2.gz SQBXVPMADVXIDJ-KGLIPLIRSA-N 2 2 335.408 -1.086 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081500325 686032007 /nfs/dbraw/zinc/03/20/07/686032007.db2.gz SQBXVPMADVXIDJ-UONOGXRCSA-N 2 2 335.408 -1.086 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081500326 686032253 /nfs/dbraw/zinc/03/22/53/686032253.db2.gz SQBXVPMADVXIDJ-ZIAGYGMSSA-N 2 2 335.408 -1.086 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081502746 686034079 /nfs/dbraw/zinc/03/40/79/686034079.db2.gz KVQFNUAVBVWPEQ-GXTWGEPZSA-N 2 2 335.408 -1.017 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081502747 686034068 /nfs/dbraw/zinc/03/40/68/686034068.db2.gz KVQFNUAVBVWPEQ-JSGCOSHPSA-N 2 2 335.408 -1.017 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081502748 686033791 /nfs/dbraw/zinc/03/37/91/686033791.db2.gz KVQFNUAVBVWPEQ-OCCSQVGLSA-N 2 2 335.408 -1.017 20 0 EAADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081502749 686033879 /nfs/dbraw/zinc/03/38/79/686033879.db2.gz KVQFNUAVBVWPEQ-TZMCWYRMSA-N 2 2 335.408 -1.017 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081581025 686083773 /nfs/dbraw/zinc/08/37/73/686083773.db2.gz WAQXAWSFORRCCJ-KBPBESRZSA-N 2 2 335.408 -1.086 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081581026 686083806 /nfs/dbraw/zinc/08/38/06/686083806.db2.gz WAQXAWSFORRCCJ-KGLIPLIRSA-N 2 2 335.408 -1.086 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081581027 686083824 /nfs/dbraw/zinc/08/38/24/686083824.db2.gz 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CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001082933810 686265155 /nfs/dbraw/zinc/26/51/55/686265155.db2.gz KHMNAQYTDXJAPO-UPJWGTAASA-N 2 2 337.428 -1.133 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001082933810 686265150 /nfs/dbraw/zinc/26/51/50/686265150.db2.gz KHMNAQYTDXJAPO-UPJWGTAASA-N 2 2 337.428 -1.133 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)O1 ZINC001083119480 686278200 /nfs/dbraw/zinc/27/82/00/686278200.db2.gz VYXZOTSYWQMQMH-LXTVHRRPSA-N 2 2 327.425 -1.001 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)O1 ZINC001083119480 686278197 /nfs/dbraw/zinc/27/81/97/686278197.db2.gz VYXZOTSYWQMQMH-LXTVHRRPSA-N 2 2 327.425 -1.001 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)O1 ZINC001083119480 686278192 /nfs/dbraw/zinc/27/81/92/686278192.db2.gz VYXZOTSYWQMQMH-LXTVHRRPSA-N 2 2 327.425 -1.001 20 0 EAADLP 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C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083372933 685139984 /nfs/dbraw/zinc/13/99/84/685139984.db2.gz LEBHEDKCSLCBJD-AGIUHOORSA-N 2 2 325.413 -1.733 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083372934 685139531 /nfs/dbraw/zinc/13/95/31/685139531.db2.gz LEBHEDKCSLCBJD-UPJWGTAASA-N 2 2 325.413 -1.733 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083372934 685139528 /nfs/dbraw/zinc/13/95/28/685139528.db2.gz LEBHEDKCSLCBJD-UPJWGTAASA-N 2 2 325.413 -1.733 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083372934 685139525 /nfs/dbraw/zinc/13/95/25/685139525.db2.gz LEBHEDKCSLCBJD-UPJWGTAASA-N 2 2 325.413 -1.733 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083372934 685139522 /nfs/dbraw/zinc/13/95/22/685139522.db2.gz LEBHEDKCSLCBJD-UPJWGTAASA-N 2 2 325.413 -1.733 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372959 685139969 /nfs/dbraw/zinc/13/99/69/685139969.db2.gz MJXIRACDXKRCDX-AGIUHOORSA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372959 685139966 /nfs/dbraw/zinc/13/99/66/685139966.db2.gz MJXIRACDXKRCDX-AGIUHOORSA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372959 685139965 /nfs/dbraw/zinc/13/99/65/685139965.db2.gz MJXIRACDXKRCDX-AGIUHOORSA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372959 685139959 /nfs/dbraw/zinc/13/99/59/685139959.db2.gz MJXIRACDXKRCDX-AGIUHOORSA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372960 685139474 /nfs/dbraw/zinc/13/94/74/685139474.db2.gz MJXIRACDXKRCDX-UPJWGTAASA-N 2 2 338.408 -1.609 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372960 685139468 /nfs/dbraw/zinc/13/94/68/685139468.db2.gz MJXIRACDXKRCDX-UPJWGTAASA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372960 685139463 /nfs/dbraw/zinc/13/94/63/685139463.db2.gz MJXIRACDXKRCDX-UPJWGTAASA-N 2 2 338.408 -1.609 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083372960 685139460 /nfs/dbraw/zinc/13/94/60/685139460.db2.gz MJXIRACDXKRCDX-UPJWGTAASA-N 2 2 338.408 -1.609 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385439 685142237 /nfs/dbraw/zinc/14/22/37/685142237.db2.gz NVEYJIPJBNPZHW-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385439 685142235 /nfs/dbraw/zinc/14/22/35/685142235.db2.gz NVEYJIPJBNPZHW-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385439 685142232 /nfs/dbraw/zinc/14/22/32/685142232.db2.gz NVEYJIPJBNPZHW-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385439 685142230 /nfs/dbraw/zinc/14/22/30/685142230.db2.gz NVEYJIPJBNPZHW-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385440 685142157 /nfs/dbraw/zinc/14/21/57/685142157.db2.gz NVEYJIPJBNPZHW-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385440 685142153 /nfs/dbraw/zinc/14/21/53/685142153.db2.gz NVEYJIPJBNPZHW-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385440 685142148 /nfs/dbraw/zinc/14/21/48/685142148.db2.gz NVEYJIPJBNPZHW-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385440 685142143 /nfs/dbraw/zinc/14/21/43/685142143.db2.gz NVEYJIPJBNPZHW-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385697 685142349 /nfs/dbraw/zinc/14/23/49/685142349.db2.gz VXTQTQHDIGJXFU-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385697 685142348 /nfs/dbraw/zinc/14/23/48/685142348.db2.gz VXTQTQHDIGJXFU-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385697 685142347 /nfs/dbraw/zinc/14/23/47/685142347.db2.gz VXTQTQHDIGJXFU-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385697 685142345 /nfs/dbraw/zinc/14/23/45/685142345.db2.gz VXTQTQHDIGJXFU-ILXRZTDVSA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385698 685142431 /nfs/dbraw/zinc/14/24/31/685142431.db2.gz VXTQTQHDIGJXFU-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385698 685142427 /nfs/dbraw/zinc/14/24/27/685142427.db2.gz VXTQTQHDIGJXFU-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385698 685142421 /nfs/dbraw/zinc/14/24/21/685142421.db2.gz VXTQTQHDIGJXFU-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385698 685142417 /nfs/dbraw/zinc/14/24/17/685142417.db2.gz VXTQTQHDIGJXFU-QLFBSQMISA-N 2 2 337.424 -1.546 20 0 EAADLP O=C(C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1)N1CCC1 ZINC001083465457 685199039 /nfs/dbraw/zinc/19/90/39/685199039.db2.gz FYTGQCILXDGLGY-KFWWJZLASA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1)N1CCC1 ZINC001083465457 685199035 /nfs/dbraw/zinc/19/90/35/685199035.db2.gz FYTGQCILXDGLGY-KFWWJZLASA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1)N1CCC1 ZINC001083465458 685198653 /nfs/dbraw/zinc/19/86/53/685198653.db2.gz FYTGQCILXDGLGY-ZNMIVQPWSA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1)N1CCC1 ZINC001083465458 685198648 /nfs/dbraw/zinc/19/86/48/685198648.db2.gz FYTGQCILXDGLGY-ZNMIVQPWSA-N 2 2 336.436 -1.278 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001083474518 685204275 /nfs/dbraw/zinc/20/42/75/685204275.db2.gz LZJFYKKUINFBJV-DGAVXFQQSA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001083474518 685204274 /nfs/dbraw/zinc/20/42/74/685204274.db2.gz LZJFYKKUINFBJV-DGAVXFQQSA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001083474518 685204272 /nfs/dbraw/zinc/20/42/72/685204272.db2.gz LZJFYKKUINFBJV-DGAVXFQQSA-N 2 2 326.441 -1.034 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001083474518 685204264 /nfs/dbraw/zinc/20/42/64/685204264.db2.gz LZJFYKKUINFBJV-DGAVXFQQSA-N 2 2 326.441 -1.034 20 0 EAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560254 685334580 /nfs/dbraw/zinc/33/45/80/685334580.db2.gz XUUHAYFKNRNSOW-MCIONIFRSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560254 685334575 /nfs/dbraw/zinc/33/45/75/685334575.db2.gz XUUHAYFKNRNSOW-MCIONIFRSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560255 685334962 /nfs/dbraw/zinc/33/49/62/685334962.db2.gz XUUHAYFKNRNSOW-RDBSUJKOSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560255 685334959 /nfs/dbraw/zinc/33/49/59/685334959.db2.gz XUUHAYFKNRNSOW-RDBSUJKOSA-N 2 2 336.436 -1.088 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)O1 ZINC001083565423 685360456 /nfs/dbraw/zinc/36/04/56/685360456.db2.gz RMOFCQBYGWAJKM-APIJFGDWSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)O1 ZINC001083565423 685360447 /nfs/dbraw/zinc/36/04/47/685360447.db2.gz RMOFCQBYGWAJKM-APIJFGDWSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)O1 ZINC001083565423 685360439 /nfs/dbraw/zinc/36/04/39/685360439.db2.gz RMOFCQBYGWAJKM-APIJFGDWSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)O1 ZINC001083565423 685360433 /nfs/dbraw/zinc/36/04/33/685360433.db2.gz RMOFCQBYGWAJKM-APIJFGDWSA-N 2 2 337.424 -1.237 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)O1 ZINC001083565573 685360059 /nfs/dbraw/zinc/36/00/59/685360059.db2.gz ZYOQEBMHAUQHJD-YIYPIFLZSA-N 2 2 338.412 -1.842 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)O1 ZINC001083565573 685360052 /nfs/dbraw/zinc/36/00/52/685360052.db2.gz ZYOQEBMHAUQHJD-YIYPIFLZSA-N 2 2 338.412 -1.842 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)O1 ZINC001083565573 685360044 /nfs/dbraw/zinc/36/00/44/685360044.db2.gz ZYOQEBMHAUQHJD-YIYPIFLZSA-N 2 2 338.412 -1.842 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)O1 ZINC001083565573 685360040 /nfs/dbraw/zinc/36/00/40/685360040.db2.gz ZYOQEBMHAUQHJD-YIYPIFLZSA-N 2 2 338.412 -1.842 20 0 EAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573686 685408764 /nfs/dbraw/zinc/40/87/64/685408764.db2.gz RJFOJBJIDQENGN-MCIONIFRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573686 685408760 /nfs/dbraw/zinc/40/87/60/685408760.db2.gz RJFOJBJIDQENGN-MCIONIFRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573686 685408756 /nfs/dbraw/zinc/40/87/56/685408756.db2.gz RJFOJBJIDQENGN-MCIONIFRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573686 685408751 /nfs/dbraw/zinc/40/87/51/685408751.db2.gz RJFOJBJIDQENGN-MCIONIFRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573687 685409087 /nfs/dbraw/zinc/40/90/87/685409087.db2.gz RJFOJBJIDQENGN-RDBSUJKOSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573687 685409084 /nfs/dbraw/zinc/40/90/84/685409084.db2.gz RJFOJBJIDQENGN-RDBSUJKOSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573687 685409081 /nfs/dbraw/zinc/40/90/81/685409081.db2.gz RJFOJBJIDQENGN-RDBSUJKOSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001083573687 685409077 /nfs/dbraw/zinc/40/90/77/685409077.db2.gz RJFOJBJIDQENGN-RDBSUJKOSA-N 2 2 339.440 -1.343 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083645014 685449356 /nfs/dbraw/zinc/44/93/56/685449356.db2.gz GNJMWHSOYXBMTE-OLZOCXBDSA-N 2 2 336.396 -1.622 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083645014 685449352 /nfs/dbraw/zinc/44/93/52/685449352.db2.gz GNJMWHSOYXBMTE-OLZOCXBDSA-N 2 2 336.396 -1.622 20 0 EAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)C1=O ZINC001083645078 685448715 /nfs/dbraw/zinc/44/87/15/685448715.db2.gz KANGLNXMPRFSMD-MCIONIFRSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)C1=O ZINC001083645078 685448712 /nfs/dbraw/zinc/44/87/12/685448712.db2.gz KANGLNXMPRFSMD-MCIONIFRSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)C1=O ZINC001083645079 685449732 /nfs/dbraw/zinc/44/97/32/685449732.db2.gz KANGLNXMPRFSMD-RDBSUJKOSA-N 2 2 335.408 -1.026 20 0 EAADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)C1=O ZINC001083645079 685449729 /nfs/dbraw/zinc/44/97/29/685449729.db2.gz KANGLNXMPRFSMD-RDBSUJKOSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083645399 685449621 /nfs/dbraw/zinc/44/96/21/685449621.db2.gz YZVJQEVNRIQMKF-KGLIPLIRSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083645399 685449616 /nfs/dbraw/zinc/44/96/16/685449616.db2.gz YZVJQEVNRIQMKF-KGLIPLIRSA-N 2 2 335.408 -1.025 20 0 EAADLP 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C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001086121028 686389782 /nfs/dbraw/zinc/38/97/82/686389782.db2.gz YPLOQYPYYWCOPN-FVCCEPFGSA-N 2 2 337.428 -1.086 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086276528 686397056 /nfs/dbraw/zinc/39/70/56/686397056.db2.gz UOMNSQSBPKKICS-FRRDWIJNSA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086276528 686397052 /nfs/dbraw/zinc/39/70/52/686397052.db2.gz UOMNSQSBPKKICS-FRRDWIJNSA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086276529 686396708 /nfs/dbraw/zinc/39/67/08/686396708.db2.gz UOMNSQSBPKKICS-XQQFMLRXSA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086276529 686396703 /nfs/dbraw/zinc/39/67/03/686396703.db2.gz UOMNSQSBPKKICS-XQQFMLRXSA-N 2 2 337.428 -1.085 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001086331937 686397726 /nfs/dbraw/zinc/39/77/26/686397726.db2.gz LUSAXCOOFQSXAF-IJLUTSLNSA-N 2 2 338.412 -1.577 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001086331937 686397722 /nfs/dbraw/zinc/39/77/22/686397722.db2.gz LUSAXCOOFQSXAF-IJLUTSLNSA-N 2 2 338.412 -1.577 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001086331938 686397950 /nfs/dbraw/zinc/39/79/50/686397950.db2.gz LUSAXCOOFQSXAF-SRVKXCTJSA-N 2 2 338.412 -1.577 20 0 EAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001086331938 686397941 /nfs/dbraw/zinc/39/79/41/686397941.db2.gz LUSAXCOOFQSXAF-SRVKXCTJSA-N 2 2 338.412 -1.577 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001086400336 686398450 /nfs/dbraw/zinc/39/84/50/686398450.db2.gz CNJXXZURWYEEPW-FDYHWXHSSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001086400336 686398442 /nfs/dbraw/zinc/39/84/42/686398442.db2.gz CNJXXZURWYEEPW-FDYHWXHSSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001086400823 686398765 /nfs/dbraw/zinc/39/87/65/686398765.db2.gz YPLOQYPYYWCOPN-FDYHWXHSSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001086400823 686398752 /nfs/dbraw/zinc/39/87/52/686398752.db2.gz YPLOQYPYYWCOPN-FDYHWXHSSA-N 2 2 337.428 -1.086 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086557023 686407803 /nfs/dbraw/zinc/40/78/03/686407803.db2.gz UOMNSQSBPKKICS-AVGNSLFASA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086557023 686407801 /nfs/dbraw/zinc/40/78/01/686407801.db2.gz UOMNSQSBPKKICS-AVGNSLFASA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086557024 686407947 /nfs/dbraw/zinc/40/79/47/686407947.db2.gz UOMNSQSBPKKICS-JHJVBQTASA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086557024 686407944 /nfs/dbraw/zinc/40/79/44/686407944.db2.gz UOMNSQSBPKKICS-JHJVBQTASA-N 2 2 337.428 -1.085 20 0 EAADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664278 686408532 /nfs/dbraw/zinc/40/85/32/686408532.db2.gz GWBJKAABNJNHPZ-XQQFMLRXSA-N 2 2 337.428 -1.085 20 0 EAADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664278 686408530 /nfs/dbraw/zinc/40/85/30/686408530.db2.gz GWBJKAABNJNHPZ-XQQFMLRXSA-N 2 2 337.428 -1.085 20 0 EAADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664279 686408474 /nfs/dbraw/zinc/40/84/74/686408474.db2.gz GWBJKAABNJNHPZ-YNEHKIRRSA-N 2 2 337.428 -1.085 20 0 EAADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664279 686408471 /nfs/dbraw/zinc/40/84/71/686408471.db2.gz GWBJKAABNJNHPZ-YNEHKIRRSA-N 2 2 337.428 -1.085 20 0 EAADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086999468 686412775 /nfs/dbraw/zinc/41/27/75/686412775.db2.gz HTMROFJZHZWAIZ-QWHCGFSZSA-N 2 2 331.380 -1.245 20 0 EAADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087005529 686413754 /nfs/dbraw/zinc/41/37/54/686413754.db2.gz HVSZLYNRYPNQQE-UONOGXRCSA-N 2 2 345.407 -1.234 20 0 EAADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087012415 686414883 /nfs/dbraw/zinc/41/48/83/686414883.db2.gz WRYBKSATWATKFC-QWHCGFSZSA-N 2 2 331.380 -1.314 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256125 685080515 /nfs/dbraw/zinc/08/05/15/685080515.db2.gz ZMVUWZDEKLNZHD-NEPJUHHUSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256125 685080510 /nfs/dbraw/zinc/08/05/10/685080510.db2.gz ZMVUWZDEKLNZHD-NEPJUHHUSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256126 685080968 /nfs/dbraw/zinc/08/09/68/685080968.db2.gz ZMVUWZDEKLNZHD-NWDGAFQWSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256126 685080958 /nfs/dbraw/zinc/08/09/58/685080958.db2.gz ZMVUWZDEKLNZHD-NWDGAFQWSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256127 685080759 /nfs/dbraw/zinc/08/07/59/685080759.db2.gz ZMVUWZDEKLNZHD-RYUDHWBXSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256127 685080751 /nfs/dbraw/zinc/08/07/51/685080751.db2.gz ZMVUWZDEKLNZHD-RYUDHWBXSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256128 685081072 /nfs/dbraw/zinc/08/10/72/685081072.db2.gz ZMVUWZDEKLNZHD-VXGBXAGGSA-N 2 2 348.407 -1.129 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001087256128 685081067 /nfs/dbraw/zinc/08/10/67/685081067.db2.gz ZMVUWZDEKLNZHD-VXGBXAGGSA-N 2 2 348.407 -1.129 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN1CCNC1=O ZINC001088505939 785763862 /nfs/dbraw/zinc/76/38/62/785763862.db2.gz AVDAUXWQGHEKBO-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCN1CCNC1=O ZINC001088505939 785763856 /nfs/dbraw/zinc/76/38/56/785763856.db2.gz AVDAUXWQGHEKBO-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCN1CCNC1=O ZINC001088505939 785763855 /nfs/dbraw/zinc/76/38/55/785763855.db2.gz AVDAUXWQGHEKBO-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN1CCNC1=O ZINC001088505939 785763848 /nfs/dbraw/zinc/76/38/48/785763848.db2.gz AVDAUXWQGHEKBO-HZSPNIEDSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN1CCNC1=O ZINC001088505940 785763810 /nfs/dbraw/zinc/76/38/10/785763810.db2.gz AVDAUXWQGHEKBO-RDBSUJKOSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCN1CCNC1=O ZINC001088505940 785763805 /nfs/dbraw/zinc/76/38/05/785763805.db2.gz AVDAUXWQGHEKBO-RDBSUJKOSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCN1CCNC1=O ZINC001088505940 785763798 /nfs/dbraw/zinc/76/37/98/785763798.db2.gz AVDAUXWQGHEKBO-RDBSUJKOSA-N 2 2 339.440 -1.079 20 0 EAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN1CCNC1=O ZINC001088505940 785763791 /nfs/dbraw/zinc/76/37/91/785763791.db2.gz AVDAUXWQGHEKBO-RDBSUJKOSA-N 2 2 339.440 -1.079 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090272052 786276058 /nfs/dbraw/zinc/27/60/58/786276058.db2.gz LNRHAWILXWDHOC-AAEUAGOBSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090272052 786276056 /nfs/dbraw/zinc/27/60/56/786276056.db2.gz LNRHAWILXWDHOC-AAEUAGOBSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090272053 786275410 /nfs/dbraw/zinc/27/54/10/786275410.db2.gz LNRHAWILXWDHOC-DGCLKSJQSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090272053 786275405 /nfs/dbraw/zinc/27/54/05/786275405.db2.gz LNRHAWILXWDHOC-DGCLKSJQSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090272054 786275615 /nfs/dbraw/zinc/27/56/15/786275615.db2.gz LNRHAWILXWDHOC-WCQYABFASA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC001090272054 786275608 /nfs/dbraw/zinc/27/56/08/786275608.db2.gz LNRHAWILXWDHOC-WCQYABFASA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090272055 786275929 /nfs/dbraw/zinc/27/59/29/786275929.db2.gz LNRHAWILXWDHOC-YPMHNXCESA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC001090272055 786275925 /nfs/dbraw/zinc/27/59/25/786275925.db2.gz LNRHAWILXWDHOC-YPMHNXCESA-N 2 2 338.412 -1.905 20 0 EAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC001090426825 786607470 /nfs/dbraw/zinc/60/74/70/786607470.db2.gz XYLZSSSVUNHXHI-GXTWGEPZSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC001090426825 786607465 /nfs/dbraw/zinc/60/74/65/786607465.db2.gz XYLZSSSVUNHXHI-GXTWGEPZSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001090426826 786607552 /nfs/dbraw/zinc/60/75/52/786607552.db2.gz XYLZSSSVUNHXHI-JSGCOSHPSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001090426826 786607544 /nfs/dbraw/zinc/60/75/44/786607544.db2.gz XYLZSSSVUNHXHI-JSGCOSHPSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001090426827 786607140 /nfs/dbraw/zinc/60/71/40/786607140.db2.gz XYLZSSSVUNHXHI-OCCSQVGLSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001090426827 786607138 /nfs/dbraw/zinc/60/71/38/786607138.db2.gz XYLZSSSVUNHXHI-OCCSQVGLSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC001090426830 786606563 /nfs/dbraw/zinc/60/65/63/786606563.db2.gz XYLZSSSVUNHXHI-TZMCWYRMSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC001090426830 786606556 /nfs/dbraw/zinc/60/65/56/786606556.db2.gz XYLZSSSVUNHXHI-TZMCWYRMSA-N 2 2 344.375 -1.082 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090436054 786629483 /nfs/dbraw/zinc/62/94/83/786629483.db2.gz MXDGYPFFOMGXTH-KBPBESRZSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090436054 786629480 /nfs/dbraw/zinc/62/94/80/786629480.db2.gz MXDGYPFFOMGXTH-KBPBESRZSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090436055 786629269 /nfs/dbraw/zinc/62/92/69/786629269.db2.gz MXDGYPFFOMGXTH-KGLIPLIRSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090436055 786629261 /nfs/dbraw/zinc/62/92/61/786629261.db2.gz MXDGYPFFOMGXTH-KGLIPLIRSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090436056 786629678 /nfs/dbraw/zinc/62/96/78/786629678.db2.gz MXDGYPFFOMGXTH-UONOGXRCSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090436056 786629672 /nfs/dbraw/zinc/62/96/72/786629672.db2.gz MXDGYPFFOMGXTH-UONOGXRCSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090436057 786629868 /nfs/dbraw/zinc/62/98/68/786629868.db2.gz MXDGYPFFOMGXTH-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090436057 786629860 /nfs/dbraw/zinc/62/98/60/786629860.db2.gz MXDGYPFFOMGXTH-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001090525183 787323152 /nfs/dbraw/zinc/32/31/52/787323152.db2.gz NANPIZWLWSYGBB-VXGBXAGGSA-N 2 2 333.396 -1.019 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090637201 787374684 /nfs/dbraw/zinc/37/46/84/787374684.db2.gz IRGBONKRKJLJJN-CHWSQXEVSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090637201 787374675 /nfs/dbraw/zinc/37/46/75/787374675.db2.gz IRGBONKRKJLJJN-CHWSQXEVSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090637203 787375245 /nfs/dbraw/zinc/37/52/45/787375245.db2.gz IRGBONKRKJLJJN-OLZOCXBDSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090637203 787375241 /nfs/dbraw/zinc/37/52/41/787375241.db2.gz IRGBONKRKJLJJN-OLZOCXBDSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090637205 787373935 /nfs/dbraw/zinc/37/39/35/787373935.db2.gz IRGBONKRKJLJJN-QWHCGFSZSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC001090637205 787373922 /nfs/dbraw/zinc/37/39/22/787373922.db2.gz IRGBONKRKJLJJN-QWHCGFSZSA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090637207 787373738 /nfs/dbraw/zinc/37/37/38/787373738.db2.gz IRGBONKRKJLJJN-STQMWFEESA-N 2 2 338.412 -1.905 20 0 EAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC001090637207 787373732 /nfs/dbraw/zinc/37/37/32/787373732.db2.gz IRGBONKRKJLJJN-STQMWFEESA-N 2 2 338.412 -1.905 20 0 EAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001090679232 787393771 /nfs/dbraw/zinc/39/37/71/787393771.db2.gz LSCJQVODECQQRB-KBPBESRZSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001090679232 787393760 /nfs/dbraw/zinc/39/37/60/787393760.db2.gz LSCJQVODECQQRB-KBPBESRZSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001090679233 787395623 /nfs/dbraw/zinc/39/56/23/787395623.db2.gz LSCJQVODECQQRB-KGLIPLIRSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001090679233 787395613 /nfs/dbraw/zinc/39/56/13/787395613.db2.gz LSCJQVODECQQRB-KGLIPLIRSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](O)C1 ZINC001090679234 787395315 /nfs/dbraw/zinc/39/53/15/787395315.db2.gz LSCJQVODECQQRB-UONOGXRCSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](O)C1 ZINC001090679234 787395305 /nfs/dbraw/zinc/39/53/05/787395305.db2.gz LSCJQVODECQQRB-UONOGXRCSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](O)C1 ZINC001090679235 787394317 /nfs/dbraw/zinc/39/43/17/787394317.db2.gz LSCJQVODECQQRB-ZIAGYGMSSA-N 2 2 344.375 -1.082 20 0 EAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](O)C1 ZINC001090679235 787394311 /nfs/dbraw/zinc/39/43/11/787394311.db2.gz LSCJQVODECQQRB-ZIAGYGMSSA-N 2 2 344.375 -1.082 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090727701 787409407 /nfs/dbraw/zinc/40/94/07/787409407.db2.gz MGVGNGWTOWBXQV-KBPBESRZSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090727701 787409404 /nfs/dbraw/zinc/40/94/04/787409404.db2.gz MGVGNGWTOWBXQV-KBPBESRZSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090727703 787409640 /nfs/dbraw/zinc/40/96/40/787409640.db2.gz MGVGNGWTOWBXQV-KGLIPLIRSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090727703 787409638 /nfs/dbraw/zinc/40/96/38/787409638.db2.gz MGVGNGWTOWBXQV-KGLIPLIRSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090727705 787408971 /nfs/dbraw/zinc/40/89/71/787408971.db2.gz MGVGNGWTOWBXQV-UONOGXRCSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090727705 787408969 /nfs/dbraw/zinc/40/89/69/787408969.db2.gz MGVGNGWTOWBXQV-UONOGXRCSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090727707 787409202 /nfs/dbraw/zinc/40/92/02/787409202.db2.gz MGVGNGWTOWBXQV-ZIAGYGMSSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090727707 787409195 /nfs/dbraw/zinc/40/91/95/787409195.db2.gz MGVGNGWTOWBXQV-ZIAGYGMSSA-N 2 2 333.396 -1.194 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730556 787410940 /nfs/dbraw/zinc/41/09/40/787410940.db2.gz MDUDNLQKXZNKIR-KBPBESRZSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730556 787410937 /nfs/dbraw/zinc/41/09/37/787410937.db2.gz MDUDNLQKXZNKIR-KBPBESRZSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730558 787410923 /nfs/dbraw/zinc/41/09/23/787410923.db2.gz MDUDNLQKXZNKIR-KGLIPLIRSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730558 787410920 /nfs/dbraw/zinc/41/09/20/787410920.db2.gz MDUDNLQKXZNKIR-KGLIPLIRSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730559 787410704 /nfs/dbraw/zinc/41/07/04/787410704.db2.gz MDUDNLQKXZNKIR-UONOGXRCSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730559 787410698 /nfs/dbraw/zinc/41/06/98/787410698.db2.gz MDUDNLQKXZNKIR-UONOGXRCSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730560 787411149 /nfs/dbraw/zinc/41/11/49/787411149.db2.gz MDUDNLQKXZNKIR-ZIAGYGMSSA-N 2 2 334.424 -1.038 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730560 787411142 /nfs/dbraw/zinc/41/11/42/787411142.db2.gz MDUDNLQKXZNKIR-ZIAGYGMSSA-N 2 2 334.424 -1.038 20 0 EAADLP O=C(C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)NC1CC1 ZINC001090731879 787411398 /nfs/dbraw/zinc/41/13/98/787411398.db2.gz XMMOIYXNLZXMNF-KBPBESRZSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)NC1CC1 ZINC001090731879 787411388 /nfs/dbraw/zinc/41/13/88/787411388.db2.gz XMMOIYXNLZXMNF-KBPBESRZSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)NC1CC1 ZINC001090731880 787410818 /nfs/dbraw/zinc/41/08/18/787410818.db2.gz XMMOIYXNLZXMNF-KGLIPLIRSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)NC1CC1 ZINC001090731880 787410816 /nfs/dbraw/zinc/41/08/16/787410816.db2.gz XMMOIYXNLZXMNF-KGLIPLIRSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC001090731881 787411660 /nfs/dbraw/zinc/41/16/60/787411660.db2.gz XMMOIYXNLZXMNF-UONOGXRCSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC001090731881 787411654 /nfs/dbraw/zinc/41/16/54/787411654.db2.gz XMMOIYXNLZXMNF-UONOGXRCSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC001090731882 787410990 /nfs/dbraw/zinc/41/09/90/787410990.db2.gz XMMOIYXNLZXMNF-ZIAGYGMSSA-N 2 2 336.436 -1.088 20 0 EAADLP O=C(C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC001090731882 787410988 /nfs/dbraw/zinc/41/09/88/787410988.db2.gz XMMOIYXNLZXMNF-ZIAGYGMSSA-N 2 2 336.436 -1.088 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090810801 787430229 /nfs/dbraw/zinc/43/02/29/787430229.db2.gz ZKPRZZUJUYHGOA-KBPBESRZSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090810801 787430222 /nfs/dbraw/zinc/43/02/22/787430222.db2.gz ZKPRZZUJUYHGOA-KBPBESRZSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090810803 787429968 /nfs/dbraw/zinc/42/99/68/787429968.db2.gz ZKPRZZUJUYHGOA-KGLIPLIRSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090810803 787429967 /nfs/dbraw/zinc/42/99/67/787429967.db2.gz ZKPRZZUJUYHGOA-KGLIPLIRSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090810805 787430277 /nfs/dbraw/zinc/43/02/77/787430277.db2.gz ZKPRZZUJUYHGOA-UONOGXRCSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090810805 787430267 /nfs/dbraw/zinc/43/02/67/787430267.db2.gz ZKPRZZUJUYHGOA-UONOGXRCSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090810806 787429534 /nfs/dbraw/zinc/42/95/34/787429534.db2.gz ZKPRZZUJUYHGOA-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090810806 787429528 /nfs/dbraw/zinc/42/95/28/787429528.db2.gz ZKPRZZUJUYHGOA-ZIAGYGMSSA-N 2 2 335.408 -1.025 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090845872 787439699 /nfs/dbraw/zinc/43/96/99/787439699.db2.gz BEWBMHFDPDWFGX-OLZOCXBDSA-N 2 2 336.396 -1.540 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090845872 787439689 /nfs/dbraw/zinc/43/96/89/787439689.db2.gz BEWBMHFDPDWFGX-OLZOCXBDSA-N 2 2 336.396 -1.540 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090845873 787439664 /nfs/dbraw/zinc/43/96/64/787439664.db2.gz BEWBMHFDPDWFGX-QWHCGFSZSA-N 2 2 336.396 -1.540 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090845873 787439658 /nfs/dbraw/zinc/43/96/58/787439658.db2.gz BEWBMHFDPDWFGX-QWHCGFSZSA-N 2 2 336.396 -1.540 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090845874 787439628 /nfs/dbraw/zinc/43/96/28/787439628.db2.gz BEWBMHFDPDWFGX-STQMWFEESA-N 2 2 336.396 -1.540 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090845874 787439623 /nfs/dbraw/zinc/43/96/23/787439623.db2.gz BEWBMHFDPDWFGX-STQMWFEESA-N 2 2 336.396 -1.540 20 0 EAADLP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001090970142 787446544 /nfs/dbraw/zinc/44/65/44/787446544.db2.gz LUSAXCOOFQSXAF-HTAVTVPLSA-N 2 2 338.412 -1.577 20 0 EAADLP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001090970142 787446534 /nfs/dbraw/zinc/44/65/34/787446534.db2.gz LUSAXCOOFQSXAF-HTAVTVPLSA-N 2 2 338.412 -1.577 20 0 EAADLP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001090970143 787447340 /nfs/dbraw/zinc/44/73/40/787447340.db2.gz LUSAXCOOFQSXAF-MCIGGMRASA-N 2 2 338.412 -1.577 20 0 EAADLP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001090970143 787447331 /nfs/dbraw/zinc/44/73/31/787447331.db2.gz LUSAXCOOFQSXAF-MCIGGMRASA-N 2 2 338.412 -1.577 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)O1 ZINC001091095770 787460421 /nfs/dbraw/zinc/46/04/21/787460421.db2.gz CNJXXZURWYEEPW-IKWCTNDRSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)O1 ZINC001091095770 787460408 /nfs/dbraw/zinc/46/04/08/787460408.db2.gz CNJXXZURWYEEPW-IKWCTNDRSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001091096753 787461344 /nfs/dbraw/zinc/46/13/44/787461344.db2.gz YPLOQYPYYWCOPN-IKWCTNDRSA-N 2 2 337.428 -1.086 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnn(C)n3)C2)O1 ZINC001091096753 787461338 /nfs/dbraw/zinc/46/13/38/787461338.db2.gz YPLOQYPYYWCOPN-IKWCTNDRSA-N 2 2 337.428 -1.086 20 0 EAADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001091178386 787469283 /nfs/dbraw/zinc/46/92/83/787469283.db2.gz NANPIZWLWSYGBB-NEPJUHHUSA-N 2 2 333.396 -1.019 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1 ZINC001091374277 787494486 /nfs/dbraw/zinc/49/44/86/787494486.db2.gz UOMNSQSBPKKICS-BPCQOVAHSA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1 ZINC001091374277 787494481 /nfs/dbraw/zinc/49/44/81/787494481.db2.gz UOMNSQSBPKKICS-BPCQOVAHSA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1 ZINC001091374278 787494188 /nfs/dbraw/zinc/49/41/88/787494188.db2.gz UOMNSQSBPKKICS-WXRRBKDZSA-N 2 2 337.428 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1 ZINC001091374278 787494179 /nfs/dbraw/zinc/49/41/79/787494179.db2.gz UOMNSQSBPKKICS-WXRRBKDZSA-N 2 2 337.428 -1.085 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001093308617 787654042 /nfs/dbraw/zinc/65/40/42/787654042.db2.gz JEJITLZUBFXDQC-KBPBESRZSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001093308617 787654041 /nfs/dbraw/zinc/65/40/41/787654041.db2.gz JEJITLZUBFXDQC-KBPBESRZSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001093308618 787654667 /nfs/dbraw/zinc/65/46/67/787654667.db2.gz JEJITLZUBFXDQC-KGLIPLIRSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001093308618 787654662 /nfs/dbraw/zinc/65/46/62/787654662.db2.gz JEJITLZUBFXDQC-KGLIPLIRSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001093308619 787654024 /nfs/dbraw/zinc/65/40/24/787654024.db2.gz JEJITLZUBFXDQC-UONOGXRCSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001093308619 787654023 /nfs/dbraw/zinc/65/40/23/787654023.db2.gz JEJITLZUBFXDQC-UONOGXRCSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001093308620 787654244 /nfs/dbraw/zinc/65/42/44/787654244.db2.gz JEJITLZUBFXDQC-ZIAGYGMSSA-N 2 2 347.423 -1.266 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001093308620 787654242 /nfs/dbraw/zinc/65/42/42/787654242.db2.gz JEJITLZUBFXDQC-ZIAGYGMSSA-N 2 2 347.423 -1.266 20 0 EAADLP CC[C@H](C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093324280 787656584 /nfs/dbraw/zinc/65/65/84/787656584.db2.gz XXRODUWJFKGKAQ-UONOGXRCSA-N 2 2 349.439 -1.020 20 0 EAADLP CC[C@H](C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093324281 787657045 /nfs/dbraw/zinc/65/70/45/787657045.db2.gz XXRODUWJFKGKAQ-ZIAGYGMSSA-N 2 2 349.439 -1.020 20 0 EAADLP CC[C@@H](C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093335647 787660040 /nfs/dbraw/zinc/66/00/40/787660040.db2.gz XXRODUWJFKGKAQ-KBPBESRZSA-N 2 2 349.439 -1.020 20 0 EAADLP CC[C@@H](C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1)[NH+](C)C ZINC001093335648 787660030 /nfs/dbraw/zinc/66/00/30/787660030.db2.gz XXRODUWJFKGKAQ-KGLIPLIRSA-N 2 2 349.439 -1.020 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@@H]4CCNC4=O)nn3)C2)C1 ZINC001093343579 787660531 /nfs/dbraw/zinc/66/05/31/787660531.db2.gz KFCGFMKMCAWSHF-BXUZGUMPSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@@H]4CCNC4=O)nn3)C2)C1 ZINC001093343579 787660524 /nfs/dbraw/zinc/66/05/24/787660524.db2.gz KFCGFMKMCAWSHF-BXUZGUMPSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+][C@H]4CCNC4=O)nn3)C2)C1 ZINC001093343580 787661062 /nfs/dbraw/zinc/66/10/62/787661062.db2.gz KFCGFMKMCAWSHF-FZMZJTMJSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+][C@H]4CCNC4=O)nn3)C2)C1 ZINC001093343580 787661058 /nfs/dbraw/zinc/66/10/58/787661058.db2.gz KFCGFMKMCAWSHF-FZMZJTMJSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@H]4CCNC4=O)nn3)C2)C1 ZINC001093343581 787661100 /nfs/dbraw/zinc/66/11/00/787661100.db2.gz KFCGFMKMCAWSHF-RISCZKNCSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@H]4CCNC4=O)nn3)C2)C1 ZINC001093343581 787661095 /nfs/dbraw/zinc/66/10/95/787661095.db2.gz KFCGFMKMCAWSHF-RISCZKNCSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+][C@@H]4CCNC4=O)nn3)C2)C1 ZINC001093343649 787658441 /nfs/dbraw/zinc/65/84/41/787658441.db2.gz KFCGFMKMCAWSHF-SMDDNHRTSA-N 2 2 347.423 -1.409 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+][C@@H]4CCNC4=O)nn3)C2)C1 ZINC001093343649 787658432 /nfs/dbraw/zinc/65/84/32/787658432.db2.gz KFCGFMKMCAWSHF-SMDDNHRTSA-N 2 2 347.423 -1.409 20 0 EAADLP O=C(C[NH+]1CCCC1)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001093343925 787657921 /nfs/dbraw/zinc/65/79/21/787657921.db2.gz XETFMJGGJKXVGL-AWEZNQCLSA-N 2 2 347.423 -1.265 20 0 EAADLP O=C(C[NH+]1CCCC1)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001093343926 787657993 /nfs/dbraw/zinc/65/79/93/787657993.db2.gz XETFMJGGJKXVGL-CQSZACIVSA-N 2 2 347.423 -1.265 20 0 EAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093690429 787670062 /nfs/dbraw/zinc/67/00/62/787670062.db2.gz ULLCLNIQHFVBCS-JHJVBQTASA-N 2 2 337.428 -1.275 20 0 EAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093690429 787670058 /nfs/dbraw/zinc/67/00/58/787670058.db2.gz ULLCLNIQHFVBCS-JHJVBQTASA-N 2 2 337.428 -1.275 20 0 EAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093690430 787670489 /nfs/dbraw/zinc/67/04/89/787670489.db2.gz ULLCLNIQHFVBCS-UPJWGTAASA-N 2 2 337.428 -1.275 20 0 EAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093690430 787670483 /nfs/dbraw/zinc/67/04/83/787670483.db2.gz ULLCLNIQHFVBCS-UPJWGTAASA-N 2 2 337.428 -1.275 20 0 EAADLP O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001094736457 787753987 /nfs/dbraw/zinc/75/39/87/787753987.db2.gz IVKHSEBQOOJGJB-DZGCQCFKSA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001094736458 787754415 /nfs/dbraw/zinc/75/44/15/787754415.db2.gz IVKHSEBQOOJGJB-HIFRSBDPSA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001094736459 787754792 /nfs/dbraw/zinc/75/47/92/787754792.db2.gz IVKHSEBQOOJGJB-UKRRQHHQSA-N 2 2 336.436 -1.278 20 0 EAADLP O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001094736460 787754336 /nfs/dbraw/zinc/75/43/36/787754336.db2.gz IVKHSEBQOOJGJB-ZFWWWQNUSA-N 2 2 336.436 -1.278 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094760253 787743487 /nfs/dbraw/zinc/74/34/87/787743487.db2.gz RSHBQVTZSKMVBY-CHWSQXEVSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094760254 787743366 /nfs/dbraw/zinc/74/33/66/787743366.db2.gz RSHBQVTZSKMVBY-OLZOCXBDSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094760255 787743878 /nfs/dbraw/zinc/74/38/78/787743878.db2.gz RSHBQVTZSKMVBY-QWHCGFSZSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094760257 787744197 /nfs/dbraw/zinc/74/41/97/787744197.db2.gz RSHBQVTZSKMVBY-STQMWFEESA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094760331 787743813 /nfs/dbraw/zinc/74/38/13/787743813.db2.gz SRFKMLRSNOKHSM-CYBMUJFWSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094760333 787743599 /nfs/dbraw/zinc/74/35/99/787743599.db2.gz SRFKMLRSNOKHSM-ZDUSSCGKSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094817917 787793815 /nfs/dbraw/zinc/79/38/15/787793815.db2.gz UJQGTOUCLDXYDL-AAEUAGOBSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094817918 787793738 /nfs/dbraw/zinc/79/37/38/787793738.db2.gz UJQGTOUCLDXYDL-DGCLKSJQSA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094817919 787794024 /nfs/dbraw/zinc/79/40/24/787794024.db2.gz UJQGTOUCLDXYDL-WCQYABFASA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094817920 787793457 /nfs/dbraw/zinc/79/34/57/787793457.db2.gz UJQGTOUCLDXYDL-YPMHNXCESA-N 2 2 335.408 -1.026 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094817923 787793643 /nfs/dbraw/zinc/79/36/43/787793643.db2.gz UKRMVHMNUZXYME-CYBMUJFWSA-N 2 2 335.408 -1.025 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094817924 787793866 /nfs/dbraw/zinc/79/38/66/787793866.db2.gz UKRMVHMNUZXYME-ZDUSSCGKSA-N 2 2 335.408 -1.025 20 0 EAADLP C[NH+](C)CCC(=O)NCC[NH+]1CCN(c2ccc3nnnn3n2)CC1 ZINC001096303606 791982881 /nfs/dbraw/zinc/98/28/81/791982881.db2.gz AYRDHUCMDGXMKZ-UHFFFAOYSA-N 2 2 347.427 -1.291 20 0 EAADLP C[NH+](C)CCC(=O)NCC[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC001096304453 791982645 /nfs/dbraw/zinc/98/26/45/791982645.db2.gz ODKKCQDGOGNNOU-UHFFFAOYSA-N 2 2 347.427 -1.291 20 0 EAADLP Cn1nnnc1C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466594 786747382 /nfs/dbraw/zinc/74/73/82/786747382.db2.gz NIFUKMNWGDYYFB-UHFFFAOYSA-N 2 2 339.444 -1.053 20 0 EAADLP Cn1nnnc1C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466594 786747374 /nfs/dbraw/zinc/74/73/74/786747374.db2.gz NIFUKMNWGDYYFB-UHFFFAOYSA-N 2 2 339.444 -1.053 20 0 EAADLP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098533233 785105040 /nfs/dbraw/zinc/10/50/40/785105040.db2.gz XVAQYJFCJKHHDD-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098533233 785105034 /nfs/dbraw/zinc/10/50/34/785105034.db2.gz XVAQYJFCJKHHDD-UHFFFAOYSA-N 2 2 337.424 -1.006 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644419 785794554 /nfs/dbraw/zinc/79/45/54/785794554.db2.gz AMXMAZBAYMEFAJ-CHWSQXEVSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644419 785794547 /nfs/dbraw/zinc/79/45/47/785794547.db2.gz AMXMAZBAYMEFAJ-CHWSQXEVSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644430 785795969 /nfs/dbraw/zinc/79/59/69/785795969.db2.gz AMXMAZBAYMEFAJ-OLZOCXBDSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644430 785795965 /nfs/dbraw/zinc/79/59/65/785795965.db2.gz AMXMAZBAYMEFAJ-OLZOCXBDSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644432 785795304 /nfs/dbraw/zinc/79/53/04/785795304.db2.gz AMXMAZBAYMEFAJ-QWHCGFSZSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644432 785795298 /nfs/dbraw/zinc/79/52/98/785795298.db2.gz AMXMAZBAYMEFAJ-QWHCGFSZSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644434 785794878 /nfs/dbraw/zinc/79/48/78/785794878.db2.gz AMXMAZBAYMEFAJ-STQMWFEESA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098644434 785794871 /nfs/dbraw/zinc/79/48/71/785794871.db2.gz AMXMAZBAYMEFAJ-STQMWFEESA-N 2 2 335.412 -1.279 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644654 792044052 /nfs/dbraw/zinc/04/40/52/792044052.db2.gz CYBIDNMLMPIAPU-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644654 792044041 /nfs/dbraw/zinc/04/40/41/792044041.db2.gz CYBIDNMLMPIAPU-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644655 792045063 /nfs/dbraw/zinc/04/50/63/792045063.db2.gz CYBIDNMLMPIAPU-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644655 792045055 /nfs/dbraw/zinc/04/50/55/792045055.db2.gz CYBIDNMLMPIAPU-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644656 792044323 /nfs/dbraw/zinc/04/43/23/792044323.db2.gz CYBIDNMLMPIAPU-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644656 792044311 /nfs/dbraw/zinc/04/43/11/792044311.db2.gz CYBIDNMLMPIAPU-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644657 792046660 /nfs/dbraw/zinc/04/66/60/792046660.db2.gz CYBIDNMLMPIAPU-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644657 792046646 /nfs/dbraw/zinc/04/66/46/792046646.db2.gz CYBIDNMLMPIAPU-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649168 792046354 /nfs/dbraw/zinc/04/63/54/792046354.db2.gz LWWNLOYDOLQSLC-KBPBESRZSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649168 792046339 /nfs/dbraw/zinc/04/63/39/792046339.db2.gz LWWNLOYDOLQSLC-KBPBESRZSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649169 792048157 /nfs/dbraw/zinc/04/81/57/792048157.db2.gz LWWNLOYDOLQSLC-KGLIPLIRSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649169 792048145 /nfs/dbraw/zinc/04/81/45/792048145.db2.gz LWWNLOYDOLQSLC-KGLIPLIRSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649170 792047344 /nfs/dbraw/zinc/04/73/44/792047344.db2.gz LWWNLOYDOLQSLC-UONOGXRCSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649170 792047331 /nfs/dbraw/zinc/04/73/31/792047331.db2.gz LWWNLOYDOLQSLC-UONOGXRCSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649171 785807697 /nfs/dbraw/zinc/80/76/97/785807697.db2.gz LWWNLOYDOLQSLC-ZIAGYGMSSA-N 2 2 338.412 -1.536 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001098649171 785807692 /nfs/dbraw/zinc/80/76/92/785807692.db2.gz LWWNLOYDOLQSLC-ZIAGYGMSSA-N 2 2 338.412 -1.536 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@H+]1C ZINC001098672806 792047676 /nfs/dbraw/zinc/04/76/76/792047676.db2.gz JENZKWFNWKYSAI-KWCYVHTRSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001098672806 792047666 /nfs/dbraw/zinc/04/76/66/792047666.db2.gz JENZKWFNWKYSAI-KWCYVHTRSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@H+]1C ZINC001098672809 792045835 /nfs/dbraw/zinc/04/58/35/792045835.db2.gz JENZKWFNWKYSAI-MRVWCRGKSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001098672809 792045826 /nfs/dbraw/zinc/04/58/26/792045826.db2.gz JENZKWFNWKYSAI-MRVWCRGKSA-N 2 2 349.439 -1.033 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CC1 ZINC001098681503 785455196 /nfs/dbraw/zinc/45/51/96/785455196.db2.gz UCOMCWDMVUVTGO-DZGCQCFKSA-N 2 2 349.439 -1.033 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CC1 ZINC001098681505 785454887 /nfs/dbraw/zinc/45/48/87/785454887.db2.gz UCOMCWDMVUVTGO-HIFRSBDPSA-N 2 2 349.439 -1.033 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CC1 ZINC001098681508 785454843 /nfs/dbraw/zinc/45/48/43/785454843.db2.gz UCOMCWDMVUVTGO-UKRRQHHQSA-N 2 2 349.439 -1.033 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CC1 ZINC001098681509 785454547 /nfs/dbraw/zinc/45/45/47/785454547.db2.gz UCOMCWDMVUVTGO-ZFWWWQNUSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@H](C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001098685926 792049318 /nfs/dbraw/zinc/04/93/18/792049318.db2.gz UVORNRQFJSWDER-CHWSQXEVSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[C@H](C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001098685927 792050048 /nfs/dbraw/zinc/05/00/48/792050048.db2.gz UVORNRQFJSWDER-QWHCGFSZSA-N 2 2 337.428 -1.033 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001098706068 792054901 /nfs/dbraw/zinc/05/49/01/792054901.db2.gz QJVCBIVPXRVPPH-CYBMUJFWSA-N 2 2 349.439 -1.032 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001098706069 792055462 /nfs/dbraw/zinc/05/54/62/792055462.db2.gz QJVCBIVPXRVPPH-ZDUSSCGKSA-N 2 2 349.439 -1.032 20 0 EAADLP C[NH+](C)CCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098711527 785669328 /nfs/dbraw/zinc/66/93/28/785669328.db2.gz WRKXJQSRHORYHG-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP C[NH+](C)CCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098711528 785668580 /nfs/dbraw/zinc/66/85/80/785668580.db2.gz WRKXJQSRHORYHG-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP C[C@H]([NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098721814 792054431 /nfs/dbraw/zinc/05/44/31/792054431.db2.gz KXLDVNRXPNEPOT-AAEUAGOBSA-N 2 2 337.428 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098721815 792054624 /nfs/dbraw/zinc/05/46/24/792054624.db2.gz KXLDVNRXPNEPOT-DGCLKSJQSA-N 2 2 337.428 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098722020 792055496 /nfs/dbraw/zinc/05/54/96/792055496.db2.gz KXLDVNRXPNEPOT-WCQYABFASA-N 2 2 337.428 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001098722021 792054404 /nfs/dbraw/zinc/05/44/04/792054404.db2.gz KXLDVNRXPNEPOT-YPMHNXCESA-N 2 2 337.428 -1.033 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001098722622 785710836 /nfs/dbraw/zinc/71/08/36/785710836.db2.gz PCKXEEMTOXOPTJ-KBPBESRZSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001098722625 785711635 /nfs/dbraw/zinc/71/16/35/785711635.db2.gz PCKXEEMTOXOPTJ-KGLIPLIRSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001098722628 785711461 /nfs/dbraw/zinc/71/14/61/785711461.db2.gz PCKXEEMTOXOPTJ-UONOGXRCSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001098722630 785711140 /nfs/dbraw/zinc/71/11/40/785711140.db2.gz PCKXEEMTOXOPTJ-ZIAGYGMSSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+]1CCC(C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001098722942 785712996 /nfs/dbraw/zinc/71/29/96/785712996.db2.gz RIANUZGTTAZELI-AWEZNQCLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[NH+]1CCC(C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001098722943 785712862 /nfs/dbraw/zinc/71/28/62/785712862.db2.gz RIANUZGTTAZELI-CQSZACIVSA-N 2 2 349.439 -1.032 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723013 785712284 /nfs/dbraw/zinc/71/22/84/785712284.db2.gz SZUJBFZXPXKPAY-CYBMUJFWSA-N 2 2 337.428 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723014 785712748 /nfs/dbraw/zinc/71/27/48/785712748.db2.gz SZUJBFZXPXKPAY-ZDUSSCGKSA-N 2 2 337.428 -1.161 20 0 EAADLP CC[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001098728767 785737762 /nfs/dbraw/zinc/73/77/62/785737762.db2.gz UVORNRQFJSWDER-OLZOCXBDSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[C@@H](C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001098728769 785737622 /nfs/dbraw/zinc/73/76/22/785737622.db2.gz UVORNRQFJSWDER-STQMWFEESA-N 2 2 337.428 -1.033 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732862 792055788 /nfs/dbraw/zinc/05/57/88/792055788.db2.gz AOZJMWNOHORUQG-GXTWGEPZSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732862 792055779 /nfs/dbraw/zinc/05/57/79/792055779.db2.gz AOZJMWNOHORUQG-GXTWGEPZSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732863 792057882 /nfs/dbraw/zinc/05/78/82/792057882.db2.gz AOZJMWNOHORUQG-JSGCOSHPSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732863 792057870 /nfs/dbraw/zinc/05/78/70/792057870.db2.gz AOZJMWNOHORUQG-JSGCOSHPSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732865 792056245 /nfs/dbraw/zinc/05/62/45/792056245.db2.gz AOZJMWNOHORUQG-OCCSQVGLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732865 792056232 /nfs/dbraw/zinc/05/62/32/792056232.db2.gz AOZJMWNOHORUQG-OCCSQVGLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732867 792056470 /nfs/dbraw/zinc/05/64/70/792056470.db2.gz AOZJMWNOHORUQG-TZMCWYRMSA-N 2 2 349.439 -1.032 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098732867 792056459 /nfs/dbraw/zinc/05/64/59/792056459.db2.gz AOZJMWNOHORUQG-TZMCWYRMSA-N 2 2 349.439 -1.032 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098752089 786427063 /nfs/dbraw/zinc/42/70/63/786427063.db2.gz TYUZODLZFPEXPC-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098752096 786426332 /nfs/dbraw/zinc/42/63/32/786426332.db2.gz TYUZODLZFPEXPC-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098762606 785937636 /nfs/dbraw/zinc/93/76/36/785937636.db2.gz OKMMTJFVWQUKHK-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098762606 785937632 /nfs/dbraw/zinc/93/76/32/785937632.db2.gz OKMMTJFVWQUKHK-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098762609 785938342 /nfs/dbraw/zinc/93/83/42/785938342.db2.gz OKMMTJFVWQUKHK-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098762609 785938332 /nfs/dbraw/zinc/93/83/32/785938332.db2.gz OKMMTJFVWQUKHK-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP NC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098767119 792058324 /nfs/dbraw/zinc/05/83/24/792058324.db2.gz JDDFFOCYBRBTJI-CYBMUJFWSA-N 2 2 347.423 -1.278 20 0 EAADLP NC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098767120 785942207 /nfs/dbraw/zinc/94/22/07/785942207.db2.gz JDDFFOCYBRBTJI-ZDUSSCGKSA-N 2 2 347.423 -1.278 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768838 792058859 /nfs/dbraw/zinc/05/88/59/792058859.db2.gz WSZAITWIRIPOIR-GXTWGEPZSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768838 792058851 /nfs/dbraw/zinc/05/88/51/792058851.db2.gz WSZAITWIRIPOIR-GXTWGEPZSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768839 792058812 /nfs/dbraw/zinc/05/88/12/792058812.db2.gz WSZAITWIRIPOIR-JSGCOSHPSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768839 792058801 /nfs/dbraw/zinc/05/88/01/792058801.db2.gz WSZAITWIRIPOIR-JSGCOSHPSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768841 792058658 /nfs/dbraw/zinc/05/86/58/792058658.db2.gz WSZAITWIRIPOIR-OCCSQVGLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768841 792058645 /nfs/dbraw/zinc/05/86/45/792058645.db2.gz WSZAITWIRIPOIR-OCCSQVGLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768843 792058942 /nfs/dbraw/zinc/05/89/42/792058942.db2.gz WSZAITWIRIPOIR-TZMCWYRMSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098768843 792058937 /nfs/dbraw/zinc/05/89/37/792058937.db2.gz WSZAITWIRIPOIR-TZMCWYRMSA-N 2 2 349.439 -1.032 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098774565 785948565 /nfs/dbraw/zinc/94/85/65/785948565.db2.gz QVFFRRXQVHDWRJ-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098774565 785948562 /nfs/dbraw/zinc/94/85/62/785948562.db2.gz QVFFRRXQVHDWRJ-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098774566 785948490 /nfs/dbraw/zinc/94/84/90/785948490.db2.gz QVFFRRXQVHDWRJ-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098774566 785948487 /nfs/dbraw/zinc/94/84/87/785948487.db2.gz QVFFRRXQVHDWRJ-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779414 785980310 /nfs/dbraw/zinc/98/03/10/785980310.db2.gz HACPNWGDZKNAAR-AAEUAGOBSA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779414 785980306 /nfs/dbraw/zinc/98/03/06/785980306.db2.gz HACPNWGDZKNAAR-AAEUAGOBSA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779417 785979790 /nfs/dbraw/zinc/97/97/90/785979790.db2.gz HACPNWGDZKNAAR-DGCLKSJQSA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779417 785979786 /nfs/dbraw/zinc/97/97/86/785979786.db2.gz HACPNWGDZKNAAR-DGCLKSJQSA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779422 785980267 /nfs/dbraw/zinc/98/02/67/785980267.db2.gz HACPNWGDZKNAAR-WCQYABFASA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779422 785980262 /nfs/dbraw/zinc/98/02/62/785980262.db2.gz HACPNWGDZKNAAR-WCQYABFASA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779424 785980428 /nfs/dbraw/zinc/98/04/28/785980428.db2.gz HACPNWGDZKNAAR-YPMHNXCESA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001098779424 785980422 /nfs/dbraw/zinc/98/04/22/785980422.db2.gz HACPNWGDZKNAAR-YPMHNXCESA-N 2 2 335.412 -1.422 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098779583 792059602 /nfs/dbraw/zinc/05/96/02/792059602.db2.gz IEJDQLPTTWWZIF-GXTWGEPZSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779583 792059592 /nfs/dbraw/zinc/05/95/92/792059592.db2.gz IEJDQLPTTWWZIF-GXTWGEPZSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098779584 792059935 /nfs/dbraw/zinc/05/99/35/792059935.db2.gz IEJDQLPTTWWZIF-JSGCOSHPSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779584 792059923 /nfs/dbraw/zinc/05/99/23/792059923.db2.gz IEJDQLPTTWWZIF-JSGCOSHPSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098779586 792058437 /nfs/dbraw/zinc/05/84/37/792058437.db2.gz IEJDQLPTTWWZIF-OCCSQVGLSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779586 792058421 /nfs/dbraw/zinc/05/84/21/792058421.db2.gz IEJDQLPTTWWZIF-OCCSQVGLSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098779587 792058300 /nfs/dbraw/zinc/05/83/00/792058300.db2.gz IEJDQLPTTWWZIF-TZMCWYRMSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098779587 792058288 /nfs/dbraw/zinc/05/82/88/792058288.db2.gz IEJDQLPTTWWZIF-TZMCWYRMSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780797 792059630 /nfs/dbraw/zinc/05/96/30/792059630.db2.gz ZLAHLSDHQCVTEC-AWEZNQCLSA-N 2 2 349.439 -1.017 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780798 786010059 /nfs/dbraw/zinc/01/00/59/786010059.db2.gz ZLAHLSDHQCVTEC-CQSZACIVSA-N 2 2 349.439 -1.017 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098790034 792060902 /nfs/dbraw/zinc/06/09/02/792060902.db2.gz NGUQIAHNMZCTRI-CYBMUJFWSA-N 2 2 337.428 -1.033 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098790034 792060897 /nfs/dbraw/zinc/06/08/97/792060897.db2.gz NGUQIAHNMZCTRI-CYBMUJFWSA-N 2 2 337.428 -1.033 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098790035 786024089 /nfs/dbraw/zinc/02/40/89/786024089.db2.gz NGUQIAHNMZCTRI-ZDUSSCGKSA-N 2 2 337.428 -1.033 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098790035 786024085 /nfs/dbraw/zinc/02/40/85/786024085.db2.gz NGUQIAHNMZCTRI-ZDUSSCGKSA-N 2 2 337.428 -1.033 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099231999 792072656 /nfs/dbraw/zinc/07/26/56/792072656.db2.gz UCDISKYUCJMEFJ-BBBLOLIVSA-N 2 2 338.330 -1.219 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099231999 792072644 /nfs/dbraw/zinc/07/26/44/792072644.db2.gz UCDISKYUCJMEFJ-BBBLOLIVSA-N 2 2 338.330 -1.219 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099232000 792071931 /nfs/dbraw/zinc/07/19/31/792071931.db2.gz UCDISKYUCJMEFJ-OPRDCNLKSA-N 2 2 338.330 -1.219 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099232000 792071926 /nfs/dbraw/zinc/07/19/26/792071926.db2.gz UCDISKYUCJMEFJ-OPRDCNLKSA-N 2 2 338.330 -1.219 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099804900 792184504 /nfs/dbraw/zinc/18/45/04/792184504.db2.gz TWVHINILCBNFKA-CHWSQXEVSA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099804900 792184501 /nfs/dbraw/zinc/18/45/01/792184501.db2.gz TWVHINILCBNFKA-CHWSQXEVSA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099804901 792184623 /nfs/dbraw/zinc/18/46/23/792184623.db2.gz TWVHINILCBNFKA-OLZOCXBDSA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099804901 792184620 /nfs/dbraw/zinc/18/46/20/792184620.db2.gz TWVHINILCBNFKA-OLZOCXBDSA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099804902 792182673 /nfs/dbraw/zinc/18/26/73/792182673.db2.gz TWVHINILCBNFKA-QWHCGFSZSA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099804902 792182667 /nfs/dbraw/zinc/18/26/67/792182667.db2.gz TWVHINILCBNFKA-QWHCGFSZSA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099804903 792184590 /nfs/dbraw/zinc/18/45/90/792184590.db2.gz TWVHINILCBNFKA-STQMWFEESA-N 2 2 326.397 -1.097 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099804903 792184587 /nfs/dbraw/zinc/18/45/87/792184587.db2.gz TWVHINILCBNFKA-STQMWFEESA-N 2 2 326.397 -1.097 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099871240 792214721 /nfs/dbraw/zinc/21/47/21/792214721.db2.gz AURAZRWIVBXJJG-GHMZBOCLSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099871240 792214714 /nfs/dbraw/zinc/21/47/14/792214714.db2.gz AURAZRWIVBXJJG-GHMZBOCLSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099871241 792214824 /nfs/dbraw/zinc/21/48/24/792214824.db2.gz AURAZRWIVBXJJG-MNOVXSKESA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099871241 792214815 /nfs/dbraw/zinc/21/48/15/792214815.db2.gz AURAZRWIVBXJJG-MNOVXSKESA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099871242 792213132 /nfs/dbraw/zinc/21/31/32/792213132.db2.gz AURAZRWIVBXJJG-QWRGUYRKSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099871242 792213126 /nfs/dbraw/zinc/21/31/26/792213126.db2.gz AURAZRWIVBXJJG-QWRGUYRKSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099871243 792213040 /nfs/dbraw/zinc/21/30/40/792213040.db2.gz AURAZRWIVBXJJG-WDEREUQCSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099871243 792213035 /nfs/dbraw/zinc/21/30/35/792213035.db2.gz AURAZRWIVBXJJG-WDEREUQCSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879000 792216405 /nfs/dbraw/zinc/21/64/05/792216405.db2.gz CSRYJGJEFAYBHW-NEPJUHHUSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879000 792216401 /nfs/dbraw/zinc/21/64/01/792216401.db2.gz CSRYJGJEFAYBHW-NEPJUHHUSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879000 792216396 /nfs/dbraw/zinc/21/63/96/792216396.db2.gz CSRYJGJEFAYBHW-NEPJUHHUSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879000 792216391 /nfs/dbraw/zinc/21/63/91/792216391.db2.gz CSRYJGJEFAYBHW-NEPJUHHUSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879001 792216643 /nfs/dbraw/zinc/21/66/43/792216643.db2.gz CSRYJGJEFAYBHW-NWDGAFQWSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879001 792216634 /nfs/dbraw/zinc/21/66/34/792216634.db2.gz CSRYJGJEFAYBHW-NWDGAFQWSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879001 792216626 /nfs/dbraw/zinc/21/66/26/792216626.db2.gz CSRYJGJEFAYBHW-NWDGAFQWSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879001 792216617 /nfs/dbraw/zinc/21/66/17/792216617.db2.gz CSRYJGJEFAYBHW-NWDGAFQWSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879002 792215599 /nfs/dbraw/zinc/21/55/99/792215599.db2.gz CSRYJGJEFAYBHW-RYUDHWBXSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879002 792215591 /nfs/dbraw/zinc/21/55/91/792215591.db2.gz CSRYJGJEFAYBHW-RYUDHWBXSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879002 792215584 /nfs/dbraw/zinc/21/55/84/792215584.db2.gz CSRYJGJEFAYBHW-RYUDHWBXSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099879002 792215577 /nfs/dbraw/zinc/21/55/77/792215577.db2.gz CSRYJGJEFAYBHW-RYUDHWBXSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879003 792216085 /nfs/dbraw/zinc/21/60/85/792216085.db2.gz CSRYJGJEFAYBHW-VXGBXAGGSA-N 2 2 341.412 -1.783 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879003 792216079 /nfs/dbraw/zinc/21/60/79/792216079.db2.gz CSRYJGJEFAYBHW-VXGBXAGGSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879003 792216076 /nfs/dbraw/zinc/21/60/76/792216076.db2.gz CSRYJGJEFAYBHW-VXGBXAGGSA-N 2 2 341.412 -1.783 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O)C1CCC1 ZINC001099879003 792216067 /nfs/dbraw/zinc/21/60/67/792216067.db2.gz CSRYJGJEFAYBHW-VXGBXAGGSA-N 2 2 341.412 -1.783 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099893341 792228318 /nfs/dbraw/zinc/22/83/18/792228318.db2.gz YFPAONKWAXRHJX-CHWSQXEVSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099893341 792228310 /nfs/dbraw/zinc/22/83/10/792228310.db2.gz YFPAONKWAXRHJX-CHWSQXEVSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099893342 792227615 /nfs/dbraw/zinc/22/76/15/792227615.db2.gz YFPAONKWAXRHJX-OLZOCXBDSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099893342 792227609 /nfs/dbraw/zinc/22/76/09/792227609.db2.gz YFPAONKWAXRHJX-OLZOCXBDSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099893343 792228263 /nfs/dbraw/zinc/22/82/63/792228263.db2.gz YFPAONKWAXRHJX-QWHCGFSZSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099893343 792228256 /nfs/dbraw/zinc/22/82/56/792228256.db2.gz YFPAONKWAXRHJX-QWHCGFSZSA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099893344 792228029 /nfs/dbraw/zinc/22/80/29/792228029.db2.gz YFPAONKWAXRHJX-STQMWFEESA-N 2 2 342.440 -1.619 20 0 EAADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099893344 792228028 /nfs/dbraw/zinc/22/80/28/792228028.db2.gz YFPAONKWAXRHJX-STQMWFEESA-N 2 2 342.440 -1.619 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898685 792232026 /nfs/dbraw/zinc/23/20/26/792232026.db2.gz GIBFEJSGWPXHNY-GHMZBOCLSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898685 792232018 /nfs/dbraw/zinc/23/20/18/792232018.db2.gz GIBFEJSGWPXHNY-GHMZBOCLSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898685 792232010 /nfs/dbraw/zinc/23/20/10/792232010.db2.gz GIBFEJSGWPXHNY-GHMZBOCLSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898685 792232003 /nfs/dbraw/zinc/23/20/03/792232003.db2.gz GIBFEJSGWPXHNY-GHMZBOCLSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898686 792233469 /nfs/dbraw/zinc/23/34/69/792233469.db2.gz GIBFEJSGWPXHNY-MNOVXSKESA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898686 792233464 /nfs/dbraw/zinc/23/34/64/792233464.db2.gz GIBFEJSGWPXHNY-MNOVXSKESA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898686 792233458 /nfs/dbraw/zinc/23/34/58/792233458.db2.gz GIBFEJSGWPXHNY-MNOVXSKESA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898686 792233449 /nfs/dbraw/zinc/23/34/49/792233449.db2.gz GIBFEJSGWPXHNY-MNOVXSKESA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898687 792231523 /nfs/dbraw/zinc/23/15/23/792231523.db2.gz GIBFEJSGWPXHNY-QWRGUYRKSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898687 792231513 /nfs/dbraw/zinc/23/15/13/792231513.db2.gz GIBFEJSGWPXHNY-QWRGUYRKSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898687 792231506 /nfs/dbraw/zinc/23/15/06/792231506.db2.gz GIBFEJSGWPXHNY-QWRGUYRKSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099898687 792231500 /nfs/dbraw/zinc/23/15/00/792231500.db2.gz GIBFEJSGWPXHNY-QWRGUYRKSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898688 792232498 /nfs/dbraw/zinc/23/24/98/792232498.db2.gz GIBFEJSGWPXHNY-WDEREUQCSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898688 792232493 /nfs/dbraw/zinc/23/24/93/792232493.db2.gz GIBFEJSGWPXHNY-WDEREUQCSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898688 792232486 /nfs/dbraw/zinc/23/24/86/792232486.db2.gz GIBFEJSGWPXHNY-WDEREUQCSA-N 2 2 343.428 -1.537 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099898688 792232478 /nfs/dbraw/zinc/23/24/78/792232478.db2.gz GIBFEJSGWPXHNY-WDEREUQCSA-N 2 2 343.428 -1.537 20 0 EAADLP CN(CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899389 792233661 /nfs/dbraw/zinc/23/36/61/792233661.db2.gz RWQWOWSFNUIVKM-KBPBESRZSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899389 792233658 /nfs/dbraw/zinc/23/36/58/792233658.db2.gz RWQWOWSFNUIVKM-KBPBESRZSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899390 792232624 /nfs/dbraw/zinc/23/26/24/792232624.db2.gz RWQWOWSFNUIVKM-KGLIPLIRSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899390 792232617 /nfs/dbraw/zinc/23/26/17/792232617.db2.gz RWQWOWSFNUIVKM-KGLIPLIRSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899391 792233043 /nfs/dbraw/zinc/23/30/43/792233043.db2.gz RWQWOWSFNUIVKM-UONOGXRCSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899391 792233035 /nfs/dbraw/zinc/23/30/35/792233035.db2.gz RWQWOWSFNUIVKM-UONOGXRCSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899392 792231339 /nfs/dbraw/zinc/23/13/39/792231339.db2.gz RWQWOWSFNUIVKM-ZIAGYGMSSA-N 2 2 335.408 -1.055 20 0 EAADLP CN(CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899392 792231332 /nfs/dbraw/zinc/23/13/32/792231332.db2.gz RWQWOWSFNUIVKM-ZIAGYGMSSA-N 2 2 335.408 -1.055 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099916077 792247371 /nfs/dbraw/zinc/24/73/71/792247371.db2.gz IKBHKLLSXNGOLA-GHMZBOCLSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099916077 792247365 /nfs/dbraw/zinc/24/73/65/792247365.db2.gz IKBHKLLSXNGOLA-GHMZBOCLSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099916078 792246907 /nfs/dbraw/zinc/24/69/07/792246907.db2.gz IKBHKLLSXNGOLA-MNOVXSKESA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099916078 792246898 /nfs/dbraw/zinc/24/68/98/792246898.db2.gz IKBHKLLSXNGOLA-MNOVXSKESA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099916079 792247616 /nfs/dbraw/zinc/24/76/16/792247616.db2.gz IKBHKLLSXNGOLA-QWRGUYRKSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099916079 792247607 /nfs/dbraw/zinc/24/76/07/792247607.db2.gz IKBHKLLSXNGOLA-QWRGUYRKSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099916080 792249268 /nfs/dbraw/zinc/24/92/68/792249268.db2.gz IKBHKLLSXNGOLA-WDEREUQCSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099916080 792249254 /nfs/dbraw/zinc/24/92/54/792249254.db2.gz IKBHKLLSXNGOLA-WDEREUQCSA-N 2 2 338.368 -2.062 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099926030 792252717 /nfs/dbraw/zinc/25/27/17/792252717.db2.gz MWMSFALIFAEHEV-KBPBESRZSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099926030 792252707 /nfs/dbraw/zinc/25/27/07/792252707.db2.gz MWMSFALIFAEHEV-KBPBESRZSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099926031 792253561 /nfs/dbraw/zinc/25/35/61/792253561.db2.gz MWMSFALIFAEHEV-KGLIPLIRSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099926031 792253555 /nfs/dbraw/zinc/25/35/55/792253555.db2.gz MWMSFALIFAEHEV-KGLIPLIRSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099926032 792253810 /nfs/dbraw/zinc/25/38/10/792253810.db2.gz MWMSFALIFAEHEV-UONOGXRCSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099926032 792253807 /nfs/dbraw/zinc/25/38/07/792253807.db2.gz MWMSFALIFAEHEV-UONOGXRCSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099926033 792252330 /nfs/dbraw/zinc/25/23/30/792252330.db2.gz MWMSFALIFAEHEV-ZIAGYGMSSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099926033 792252321 /nfs/dbraw/zinc/25/23/21/792252321.db2.gz MWMSFALIFAEHEV-ZIAGYGMSSA-N 2 2 340.424 -1.087 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099939261 792258918 /nfs/dbraw/zinc/25/89/18/792258918.db2.gz CFFLVAOGGVDQEL-KBPBESRZSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099939261 792258915 /nfs/dbraw/zinc/25/89/15/792258915.db2.gz CFFLVAOGGVDQEL-KBPBESRZSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099939262 792258362 /nfs/dbraw/zinc/25/83/62/792258362.db2.gz CFFLVAOGGVDQEL-KGLIPLIRSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099939262 792258354 /nfs/dbraw/zinc/25/83/54/792258354.db2.gz CFFLVAOGGVDQEL-KGLIPLIRSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099939263 792258157 /nfs/dbraw/zinc/25/81/57/792258157.db2.gz CFFLVAOGGVDQEL-UONOGXRCSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099939263 792258148 /nfs/dbraw/zinc/25/81/48/792258148.db2.gz CFFLVAOGGVDQEL-UONOGXRCSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099939264 792259041 /nfs/dbraw/zinc/25/90/41/792259041.db2.gz CFFLVAOGGVDQEL-ZIAGYGMSSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099939264 792259035 /nfs/dbraw/zinc/25/90/35/792259035.db2.gz CFFLVAOGGVDQEL-ZIAGYGMSSA-N 2 2 326.397 -1.167 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099972331 792271856 /nfs/dbraw/zinc/27/18/56/792271856.db2.gz VCJMLQYZRXPZFK-GHMZBOCLSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099972331 792271850 /nfs/dbraw/zinc/27/18/50/792271850.db2.gz VCJMLQYZRXPZFK-GHMZBOCLSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099972332 792271897 /nfs/dbraw/zinc/27/18/97/792271897.db2.gz VCJMLQYZRXPZFK-MNOVXSKESA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099972332 792271888 /nfs/dbraw/zinc/27/18/88/792271888.db2.gz VCJMLQYZRXPZFK-MNOVXSKESA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099972333 792271385 /nfs/dbraw/zinc/27/13/85/792271385.db2.gz VCJMLQYZRXPZFK-QWRGUYRKSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099972333 792271378 /nfs/dbraw/zinc/27/13/78/792271378.db2.gz VCJMLQYZRXPZFK-QWRGUYRKSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099972334 792272155 /nfs/dbraw/zinc/27/21/55/792272155.db2.gz VCJMLQYZRXPZFK-WDEREUQCSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099972334 792272150 /nfs/dbraw/zinc/27/21/50/792272150.db2.gz VCJMLQYZRXPZFK-WDEREUQCSA-N 2 2 341.412 -1.926 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974165 786433280 /nfs/dbraw/zinc/43/32/80/786433280.db2.gz NYJPVWAQZDLBQD-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974165 786433273 /nfs/dbraw/zinc/43/32/73/786433273.db2.gz NYJPVWAQZDLBQD-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974166 786433444 /nfs/dbraw/zinc/43/34/44/786433444.db2.gz NYJPVWAQZDLBQD-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974166 786433437 /nfs/dbraw/zinc/43/34/37/786433437.db2.gz NYJPVWAQZDLBQD-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974167 786433113 /nfs/dbraw/zinc/43/31/13/786433113.db2.gz NYJPVWAQZDLBQD-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974167 786433102 /nfs/dbraw/zinc/43/31/02/786433102.db2.gz NYJPVWAQZDLBQD-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974168 786433808 /nfs/dbraw/zinc/43/38/08/786433808.db2.gz NYJPVWAQZDLBQD-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974168 786433806 /nfs/dbraw/zinc/43/38/06/786433806.db2.gz NYJPVWAQZDLBQD-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099975073 792273940 /nfs/dbraw/zinc/27/39/40/792273940.db2.gz YPQSJQIEKCMTGB-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099975073 792273933 /nfs/dbraw/zinc/27/39/33/792273933.db2.gz YPQSJQIEKCMTGB-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099975074 786434706 /nfs/dbraw/zinc/43/47/06/786434706.db2.gz YPQSJQIEKCMTGB-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099975074 786434705 /nfs/dbraw/zinc/43/47/05/786434705.db2.gz YPQSJQIEKCMTGB-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099975075 786434601 /nfs/dbraw/zinc/43/46/01/786434601.db2.gz YPQSJQIEKCMTGB-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099975075 786434596 /nfs/dbraw/zinc/43/45/96/786434596.db2.gz YPQSJQIEKCMTGB-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099975076 786435526 /nfs/dbraw/zinc/43/55/26/786435526.db2.gz YPQSJQIEKCMTGB-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099975076 786435516 /nfs/dbraw/zinc/43/55/16/786435516.db2.gz YPQSJQIEKCMTGB-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099978446 792277223 /nfs/dbraw/zinc/27/72/23/792277223.db2.gz GHOVXRDTDVIFSC-NEPJUHHUSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099978446 792277215 /nfs/dbraw/zinc/27/72/15/792277215.db2.gz GHOVXRDTDVIFSC-NEPJUHHUSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099978447 792275309 /nfs/dbraw/zinc/27/53/09/792275309.db2.gz GHOVXRDTDVIFSC-NWDGAFQWSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099978447 792275301 /nfs/dbraw/zinc/27/53/01/792275301.db2.gz GHOVXRDTDVIFSC-NWDGAFQWSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099978448 792275390 /nfs/dbraw/zinc/27/53/90/792275390.db2.gz GHOVXRDTDVIFSC-RYUDHWBXSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CC1 ZINC001099978448 792275381 /nfs/dbraw/zinc/27/53/81/792275381.db2.gz GHOVXRDTDVIFSC-RYUDHWBXSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099978449 792276473 /nfs/dbraw/zinc/27/64/73/792276473.db2.gz GHOVXRDTDVIFSC-VXGBXAGGSA-N 2 2 341.412 -1.926 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CC1 ZINC001099978449 792276468 /nfs/dbraw/zinc/27/64/68/792276468.db2.gz GHOVXRDTDVIFSC-VXGBXAGGSA-N 2 2 341.412 -1.926 20 0 EAADLP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985347 792281747 /nfs/dbraw/zinc/28/17/47/792281747.db2.gz BNAVTXGATWXZMN-KBPBESRZSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985347 792281746 /nfs/dbraw/zinc/28/17/46/792281746.db2.gz BNAVTXGATWXZMN-KBPBESRZSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985348 792281725 /nfs/dbraw/zinc/28/17/25/792281725.db2.gz BNAVTXGATWXZMN-KGLIPLIRSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985348 792281715 /nfs/dbraw/zinc/28/17/15/792281715.db2.gz BNAVTXGATWXZMN-KGLIPLIRSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985349 792281565 /nfs/dbraw/zinc/28/15/65/792281565.db2.gz BNAVTXGATWXZMN-UONOGXRCSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985349 792281559 /nfs/dbraw/zinc/28/15/59/792281559.db2.gz BNAVTXGATWXZMN-UONOGXRCSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985350 792281698 /nfs/dbraw/zinc/28/16/98/792281698.db2.gz BNAVTXGATWXZMN-ZIAGYGMSSA-N 2 2 344.456 -1.358 20 0 EAADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985350 792281686 /nfs/dbraw/zinc/28/16/86/792281686.db2.gz BNAVTXGATWXZMN-ZIAGYGMSSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986047 792281070 /nfs/dbraw/zinc/28/10/70/792281070.db2.gz HGZZXUAGMLFNHP-KBPBESRZSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986047 792281061 /nfs/dbraw/zinc/28/10/61/792281061.db2.gz HGZZXUAGMLFNHP-KBPBESRZSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986048 792280873 /nfs/dbraw/zinc/28/08/73/792280873.db2.gz HGZZXUAGMLFNHP-KGLIPLIRSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986048 792280864 /nfs/dbraw/zinc/28/08/64/792280864.db2.gz HGZZXUAGMLFNHP-KGLIPLIRSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986049 792282127 /nfs/dbraw/zinc/28/21/27/792282127.db2.gz HGZZXUAGMLFNHP-UONOGXRCSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986049 792282119 /nfs/dbraw/zinc/28/21/19/792282119.db2.gz HGZZXUAGMLFNHP-UONOGXRCSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986050 792280477 /nfs/dbraw/zinc/28/04/77/792280477.db2.gz HGZZXUAGMLFNHP-ZIAGYGMSSA-N 2 2 344.456 -1.358 20 0 EAADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986050 792280468 /nfs/dbraw/zinc/28/04/68/792280468.db2.gz HGZZXUAGMLFNHP-ZIAGYGMSSA-N 2 2 344.456 -1.358 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099986360 792282426 /nfs/dbraw/zinc/28/24/26/792282426.db2.gz JNACRTBDESMECF-CHWSQXEVSA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099986360 792282419 /nfs/dbraw/zinc/28/24/19/792282419.db2.gz JNACRTBDESMECF-CHWSQXEVSA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099986361 792280289 /nfs/dbraw/zinc/28/02/89/792280289.db2.gz JNACRTBDESMECF-OLZOCXBDSA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099986361 792280285 /nfs/dbraw/zinc/28/02/85/792280285.db2.gz JNACRTBDESMECF-OLZOCXBDSA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099986362 792281116 /nfs/dbraw/zinc/28/11/16/792281116.db2.gz JNACRTBDESMECF-QWHCGFSZSA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1O ZINC001099986362 792281109 /nfs/dbraw/zinc/28/11/09/792281109.db2.gz JNACRTBDESMECF-QWHCGFSZSA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099986363 786437880 /nfs/dbraw/zinc/43/78/80/786437880.db2.gz JNACRTBDESMECF-STQMWFEESA-N 2 2 335.470 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1O ZINC001099986363 786437876 /nfs/dbraw/zinc/43/78/76/786437876.db2.gz JNACRTBDESMECF-STQMWFEESA-N 2 2 335.470 -1.076 20 0 EAADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986520 792281288 /nfs/dbraw/zinc/28/12/88/792281288.db2.gz LYHGMONXVNUMOI-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986520 792281285 /nfs/dbraw/zinc/28/12/85/792281285.db2.gz LYHGMONXVNUMOI-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986521 792280442 /nfs/dbraw/zinc/28/04/42/792280442.db2.gz LYHGMONXVNUMOI-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986521 792280431 /nfs/dbraw/zinc/28/04/31/792280431.db2.gz LYHGMONXVNUMOI-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986522 792280577 /nfs/dbraw/zinc/28/05/77/792280577.db2.gz LYHGMONXVNUMOI-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986522 792280566 /nfs/dbraw/zinc/28/05/66/792280566.db2.gz LYHGMONXVNUMOI-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986523 792281271 /nfs/dbraw/zinc/28/12/71/792281271.db2.gz LYHGMONXVNUMOI-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986523 792281266 /nfs/dbraw/zinc/28/12/66/792281266.db2.gz LYHGMONXVNUMOI-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986848 792280762 /nfs/dbraw/zinc/28/07/62/792280762.db2.gz QDKSPCHSPOEDKQ-GHMZBOCLSA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986848 792280753 /nfs/dbraw/zinc/28/07/53/792280753.db2.gz QDKSPCHSPOEDKQ-GHMZBOCLSA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986849 792280543 /nfs/dbraw/zinc/28/05/43/792280543.db2.gz QDKSPCHSPOEDKQ-MNOVXSKESA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986849 792280536 /nfs/dbraw/zinc/28/05/36/792280536.db2.gz QDKSPCHSPOEDKQ-MNOVXSKESA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986850 792280375 /nfs/dbraw/zinc/28/03/75/792280375.db2.gz QDKSPCHSPOEDKQ-QWRGUYRKSA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986850 792280365 /nfs/dbraw/zinc/28/03/65/792280365.db2.gz QDKSPCHSPOEDKQ-QWRGUYRKSA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986851 792281663 /nfs/dbraw/zinc/28/16/63/792281663.db2.gz QDKSPCHSPOEDKQ-WDEREUQCSA-N 2 2 329.401 -2.055 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986851 792281655 /nfs/dbraw/zinc/28/16/55/792281655.db2.gz QDKSPCHSPOEDKQ-WDEREUQCSA-N 2 2 329.401 -2.055 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099986908 792282688 /nfs/dbraw/zinc/28/26/88/792282688.db2.gz REJKXPBFUYJKGI-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099986908 792282682 /nfs/dbraw/zinc/28/26/82/792282682.db2.gz REJKXPBFUYJKGI-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099986909 792282958 /nfs/dbraw/zinc/28/29/58/792282958.db2.gz REJKXPBFUYJKGI-NWDGAFQWSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099986909 792282953 /nfs/dbraw/zinc/28/29/53/792282953.db2.gz REJKXPBFUYJKGI-NWDGAFQWSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099986910 786438833 /nfs/dbraw/zinc/43/88/33/786438833.db2.gz REJKXPBFUYJKGI-RYUDHWBXSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099986910 786438825 /nfs/dbraw/zinc/43/88/25/786438825.db2.gz REJKXPBFUYJKGI-RYUDHWBXSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099986911 786438620 /nfs/dbraw/zinc/43/86/20/786438620.db2.gz REJKXPBFUYJKGI-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099986911 786438615 /nfs/dbraw/zinc/43/86/15/786438615.db2.gz REJKXPBFUYJKGI-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036572 792312611 /nfs/dbraw/zinc/31/26/11/792312611.db2.gz JJQIDVLTNQPZLD-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036572 792312602 /nfs/dbraw/zinc/31/26/02/792312602.db2.gz JJQIDVLTNQPZLD-KBPBESRZSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036573 792313310 /nfs/dbraw/zinc/31/33/10/792313310.db2.gz JJQIDVLTNQPZLD-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036573 792313297 /nfs/dbraw/zinc/31/32/97/792313297.db2.gz JJQIDVLTNQPZLD-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036574 792313018 /nfs/dbraw/zinc/31/30/18/792313018.db2.gz JJQIDVLTNQPZLD-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036574 792313008 /nfs/dbraw/zinc/31/30/08/792313008.db2.gz JJQIDVLTNQPZLD-UONOGXRCSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036575 792314073 /nfs/dbraw/zinc/31/40/73/792314073.db2.gz JJQIDVLTNQPZLD-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036575 792314063 /nfs/dbraw/zinc/31/40/63/792314063.db2.gz JJQIDVLTNQPZLD-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100041169 792321158 /nfs/dbraw/zinc/32/11/58/792321158.db2.gz FXTJQYRAAUSTRE-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100041169 792321148 /nfs/dbraw/zinc/32/11/48/792321148.db2.gz FXTJQYRAAUSTRE-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100041170 792319476 /nfs/dbraw/zinc/31/94/76/792319476.db2.gz FXTJQYRAAUSTRE-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100041170 792319465 /nfs/dbraw/zinc/31/94/65/792319465.db2.gz FXTJQYRAAUSTRE-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100041171 792320193 /nfs/dbraw/zinc/32/01/93/792320193.db2.gz FXTJQYRAAUSTRE-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100041171 792320181 /nfs/dbraw/zinc/32/01/81/792320181.db2.gz FXTJQYRAAUSTRE-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100041172 792320633 /nfs/dbraw/zinc/32/06/33/792320633.db2.gz FXTJQYRAAUSTRE-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100041172 792320618 /nfs/dbraw/zinc/32/06/18/792320618.db2.gz FXTJQYRAAUSTRE-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100049252 792329037 /nfs/dbraw/zinc/32/90/37/792329037.db2.gz ZOLIXIOZJRYBCV-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100049252 792329025 /nfs/dbraw/zinc/32/90/25/792329025.db2.gz ZOLIXIOZJRYBCV-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100049253 786456985 /nfs/dbraw/zinc/45/69/85/786456985.db2.gz ZOLIXIOZJRYBCV-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100049253 786456981 /nfs/dbraw/zinc/45/69/81/786456981.db2.gz ZOLIXIOZJRYBCV-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100049254 786456088 /nfs/dbraw/zinc/45/60/88/786456088.db2.gz ZOLIXIOZJRYBCV-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100049254 786456083 /nfs/dbraw/zinc/45/60/83/786456083.db2.gz ZOLIXIOZJRYBCV-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100049255 786456218 /nfs/dbraw/zinc/45/62/18/786456218.db2.gz ZOLIXIOZJRYBCV-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100049255 786456213 /nfs/dbraw/zinc/45/62/13/786456213.db2.gz ZOLIXIOZJRYBCV-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056288 792337262 /nfs/dbraw/zinc/33/72/62/792337262.db2.gz RPWYXSHQTTVSGE-KBPBESRZSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056288 792337245 /nfs/dbraw/zinc/33/72/45/792337245.db2.gz RPWYXSHQTTVSGE-KBPBESRZSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056289 792339225 /nfs/dbraw/zinc/33/92/25/792339225.db2.gz RPWYXSHQTTVSGE-KGLIPLIRSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056289 792339213 /nfs/dbraw/zinc/33/92/13/792339213.db2.gz RPWYXSHQTTVSGE-KGLIPLIRSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056290 792338493 /nfs/dbraw/zinc/33/84/93/792338493.db2.gz RPWYXSHQTTVSGE-UONOGXRCSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056290 792338487 /nfs/dbraw/zinc/33/84/87/792338487.db2.gz RPWYXSHQTTVSGE-UONOGXRCSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056291 792337322 /nfs/dbraw/zinc/33/73/22/792337322.db2.gz RPWYXSHQTTVSGE-ZIAGYGMSSA-N 2 2 342.440 -1.605 20 0 EAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056291 792337316 /nfs/dbraw/zinc/33/73/16/792337316.db2.gz RPWYXSHQTTVSGE-ZIAGYGMSSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100056684 792337980 /nfs/dbraw/zinc/33/79/80/792337980.db2.gz YESUQITWFGDASN-CHWSQXEVSA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100056684 792337962 /nfs/dbraw/zinc/33/79/62/792337962.db2.gz YESUQITWFGDASN-CHWSQXEVSA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100056685 792336901 /nfs/dbraw/zinc/33/69/01/792336901.db2.gz YESUQITWFGDASN-OLZOCXBDSA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100056685 792336891 /nfs/dbraw/zinc/33/68/91/792336891.db2.gz YESUQITWFGDASN-OLZOCXBDSA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100056686 792338855 /nfs/dbraw/zinc/33/88/55/792338855.db2.gz YESUQITWFGDASN-QWHCGFSZSA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001100056686 792338850 /nfs/dbraw/zinc/33/88/50/792338850.db2.gz YESUQITWFGDASN-QWHCGFSZSA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100056687 792338384 /nfs/dbraw/zinc/33/83/84/792338384.db2.gz YESUQITWFGDASN-STQMWFEESA-N 2 2 328.413 -1.866 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001100056687 792338375 /nfs/dbraw/zinc/33/83/75/792338375.db2.gz YESUQITWFGDASN-STQMWFEESA-N 2 2 328.413 -1.866 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064697 792344982 /nfs/dbraw/zinc/34/49/82/792344982.db2.gz QCLFMEXEMYGTKW-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064697 792344972 /nfs/dbraw/zinc/34/49/72/792344972.db2.gz QCLFMEXEMYGTKW-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064697 792344965 /nfs/dbraw/zinc/34/49/65/792344965.db2.gz QCLFMEXEMYGTKW-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064697 792344961 /nfs/dbraw/zinc/34/49/61/792344961.db2.gz QCLFMEXEMYGTKW-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064698 792345042 /nfs/dbraw/zinc/34/50/42/792345042.db2.gz QCLFMEXEMYGTKW-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064698 792345031 /nfs/dbraw/zinc/34/50/31/792345031.db2.gz QCLFMEXEMYGTKW-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064698 792345021 /nfs/dbraw/zinc/34/50/21/792345021.db2.gz QCLFMEXEMYGTKW-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064698 792345011 /nfs/dbraw/zinc/34/50/11/792345011.db2.gz QCLFMEXEMYGTKW-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064699 792344300 /nfs/dbraw/zinc/34/43/00/792344300.db2.gz QCLFMEXEMYGTKW-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064699 792344288 /nfs/dbraw/zinc/34/42/88/792344288.db2.gz QCLFMEXEMYGTKW-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064699 792344278 /nfs/dbraw/zinc/34/42/78/792344278.db2.gz QCLFMEXEMYGTKW-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100064699 792344265 /nfs/dbraw/zinc/34/42/65/792344265.db2.gz QCLFMEXEMYGTKW-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064700 792343395 /nfs/dbraw/zinc/34/33/95/792343395.db2.gz QCLFMEXEMYGTKW-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064700 792343384 /nfs/dbraw/zinc/34/33/84/792343384.db2.gz QCLFMEXEMYGTKW-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064700 792343372 /nfs/dbraw/zinc/34/33/72/792343372.db2.gz QCLFMEXEMYGTKW-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100064700 792343361 /nfs/dbraw/zinc/34/33/61/792343361.db2.gz QCLFMEXEMYGTKW-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065013 792346073 /nfs/dbraw/zinc/34/60/73/792346073.db2.gz WDCYVWYMTJIKPO-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065013 792346060 /nfs/dbraw/zinc/34/60/60/792346060.db2.gz WDCYVWYMTJIKPO-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065013 792346048 /nfs/dbraw/zinc/34/60/48/792346048.db2.gz WDCYVWYMTJIKPO-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065013 792346044 /nfs/dbraw/zinc/34/60/44/792346044.db2.gz WDCYVWYMTJIKPO-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065014 792348579 /nfs/dbraw/zinc/34/85/79/792348579.db2.gz WDCYVWYMTJIKPO-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065014 792348566 /nfs/dbraw/zinc/34/85/66/792348566.db2.gz WDCYVWYMTJIKPO-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065014 792348554 /nfs/dbraw/zinc/34/85/54/792348554.db2.gz WDCYVWYMTJIKPO-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065014 792348541 /nfs/dbraw/zinc/34/85/41/792348541.db2.gz WDCYVWYMTJIKPO-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065015 792347583 /nfs/dbraw/zinc/34/75/83/792347583.db2.gz WDCYVWYMTJIKPO-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065015 792347570 /nfs/dbraw/zinc/34/75/70/792347570.db2.gz WDCYVWYMTJIKPO-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065015 792347559 /nfs/dbraw/zinc/34/75/59/792347559.db2.gz WDCYVWYMTJIKPO-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100065015 792347546 /nfs/dbraw/zinc/34/75/46/792347546.db2.gz WDCYVWYMTJIKPO-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065016 792347714 /nfs/dbraw/zinc/34/77/14/792347714.db2.gz WDCYVWYMTJIKPO-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065016 792347701 /nfs/dbraw/zinc/34/77/01/792347701.db2.gz WDCYVWYMTJIKPO-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065016 792347688 /nfs/dbraw/zinc/34/76/88/792347688.db2.gz WDCYVWYMTJIKPO-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100065016 792347676 /nfs/dbraw/zinc/34/76/76/792347676.db2.gz WDCYVWYMTJIKPO-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073517 792357307 /nfs/dbraw/zinc/35/73/07/792357307.db2.gz DBPZQLHKESRWPP-GHMZBOCLSA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073517 792357295 /nfs/dbraw/zinc/35/72/95/792357295.db2.gz DBPZQLHKESRWPP-GHMZBOCLSA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073518 792358420 /nfs/dbraw/zinc/35/84/20/792358420.db2.gz DBPZQLHKESRWPP-MNOVXSKESA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073518 792358409 /nfs/dbraw/zinc/35/84/09/792358409.db2.gz DBPZQLHKESRWPP-MNOVXSKESA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073520 792356738 /nfs/dbraw/zinc/35/67/38/792356738.db2.gz DBPZQLHKESRWPP-QWRGUYRKSA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073520 792356728 /nfs/dbraw/zinc/35/67/28/792356728.db2.gz DBPZQLHKESRWPP-QWRGUYRKSA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073523 792357068 /nfs/dbraw/zinc/35/70/68/792357068.db2.gz DBPZQLHKESRWPP-WDEREUQCSA-N 2 2 339.396 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073523 792357060 /nfs/dbraw/zinc/35/70/60/792357060.db2.gz DBPZQLHKESRWPP-WDEREUQCSA-N 2 2 339.396 -2.172 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100075043 792356068 /nfs/dbraw/zinc/35/60/68/792356068.db2.gz XQTFTXJZMHYVET-KBPBESRZSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100075043 792356059 /nfs/dbraw/zinc/35/60/59/792356059.db2.gz XQTFTXJZMHYVET-KBPBESRZSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100075044 792359088 /nfs/dbraw/zinc/35/90/88/792359088.db2.gz XQTFTXJZMHYVET-KGLIPLIRSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100075044 792359078 /nfs/dbraw/zinc/35/90/78/792359078.db2.gz XQTFTXJZMHYVET-KGLIPLIRSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100075045 792357394 /nfs/dbraw/zinc/35/73/94/792357394.db2.gz XQTFTXJZMHYVET-UONOGXRCSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100075045 792357382 /nfs/dbraw/zinc/35/73/82/792357382.db2.gz XQTFTXJZMHYVET-UONOGXRCSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100075046 786460780 /nfs/dbraw/zinc/46/07/80/786460780.db2.gz XQTFTXJZMHYVET-ZIAGYGMSSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100075046 786460770 /nfs/dbraw/zinc/46/07/70/786460770.db2.gz XQTFTXJZMHYVET-ZIAGYGMSSA-N 2 2 326.397 -1.477 20 0 EAADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076049 786461480 /nfs/dbraw/zinc/46/14/80/786461480.db2.gz FNDFCSDZJIHRLK-KBPBESRZSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076049 786461477 /nfs/dbraw/zinc/46/14/77/786461477.db2.gz FNDFCSDZJIHRLK-KBPBESRZSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076050 786461287 /nfs/dbraw/zinc/46/12/87/786461287.db2.gz FNDFCSDZJIHRLK-KGLIPLIRSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076050 786461286 /nfs/dbraw/zinc/46/12/86/786461286.db2.gz FNDFCSDZJIHRLK-KGLIPLIRSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076051 786461467 /nfs/dbraw/zinc/46/14/67/786461467.db2.gz FNDFCSDZJIHRLK-UONOGXRCSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076051 786461463 /nfs/dbraw/zinc/46/14/63/786461463.db2.gz FNDFCSDZJIHRLK-UONOGXRCSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076052 786461627 /nfs/dbraw/zinc/46/16/27/786461627.db2.gz FNDFCSDZJIHRLK-ZIAGYGMSSA-N 2 2 344.456 -1.359 20 0 EAADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076052 786461623 /nfs/dbraw/zinc/46/16/23/786461623.db2.gz FNDFCSDZJIHRLK-ZIAGYGMSSA-N 2 2 344.456 -1.359 20 0 EAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076337 786461533 /nfs/dbraw/zinc/46/15/33/786461533.db2.gz JOYGGIFIGBQGPP-CHWSQXEVSA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076337 786461528 /nfs/dbraw/zinc/46/15/28/786461528.db2.gz JOYGGIFIGBQGPP-CHWSQXEVSA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076338 786461328 /nfs/dbraw/zinc/46/13/28/786461328.db2.gz JOYGGIFIGBQGPP-OLZOCXBDSA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076338 786461327 /nfs/dbraw/zinc/46/13/27/786461327.db2.gz JOYGGIFIGBQGPP-OLZOCXBDSA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076339 786461301 /nfs/dbraw/zinc/46/13/01/786461301.db2.gz JOYGGIFIGBQGPP-QWHCGFSZSA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076339 786461300 /nfs/dbraw/zinc/46/13/00/786461300.db2.gz JOYGGIFIGBQGPP-QWHCGFSZSA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076340 786461208 /nfs/dbraw/zinc/46/12/08/786461208.db2.gz JOYGGIFIGBQGPP-STQMWFEESA-N 2 2 330.429 -1.748 20 0 EAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076340 786461204 /nfs/dbraw/zinc/46/12/04/786461204.db2.gz JOYGGIFIGBQGPP-STQMWFEESA-N 2 2 330.429 -1.748 20 0 EAADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076433 792360554 /nfs/dbraw/zinc/36/05/54/792360554.db2.gz LFDLKPDUWAZHRB-KBPBESRZSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076433 792360545 /nfs/dbraw/zinc/36/05/45/792360545.db2.gz LFDLKPDUWAZHRB-KBPBESRZSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076434 792361730 /nfs/dbraw/zinc/36/17/30/792361730.db2.gz LFDLKPDUWAZHRB-KGLIPLIRSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076434 792361723 /nfs/dbraw/zinc/36/17/23/792361723.db2.gz LFDLKPDUWAZHRB-KGLIPLIRSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076435 792361574 /nfs/dbraw/zinc/36/15/74/792361574.db2.gz LFDLKPDUWAZHRB-UONOGXRCSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076435 792361547 /nfs/dbraw/zinc/36/15/47/792361547.db2.gz LFDLKPDUWAZHRB-UONOGXRCSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076436 792360497 /nfs/dbraw/zinc/36/04/97/792360497.db2.gz LFDLKPDUWAZHRB-ZIAGYGMSSA-N 2 2 344.456 -1.358 20 0 EAADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076436 792360487 /nfs/dbraw/zinc/36/04/87/792360487.db2.gz LFDLKPDUWAZHRB-ZIAGYGMSSA-N 2 2 344.456 -1.358 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001100076805 786461324 /nfs/dbraw/zinc/46/13/24/786461324.db2.gz ROJUJIDNANVDLU-KBPBESRZSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001100076805 786461322 /nfs/dbraw/zinc/46/13/22/786461322.db2.gz ROJUJIDNANVDLU-KBPBESRZSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001100076806 786461104 /nfs/dbraw/zinc/46/11/04/786461104.db2.gz ROJUJIDNANVDLU-KGLIPLIRSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001100076806 786461100 /nfs/dbraw/zinc/46/11/00/786461100.db2.gz ROJUJIDNANVDLU-KGLIPLIRSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001100076807 786461720 /nfs/dbraw/zinc/46/17/20/786461720.db2.gz ROJUJIDNANVDLU-UONOGXRCSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001100076807 786461714 /nfs/dbraw/zinc/46/17/14/786461714.db2.gz ROJUJIDNANVDLU-UONOGXRCSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001100076808 786460718 /nfs/dbraw/zinc/46/07/18/786460718.db2.gz ROJUJIDNANVDLU-ZIAGYGMSSA-N 2 2 342.440 -1.605 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001100076808 786460712 /nfs/dbraw/zinc/46/07/12/786460712.db2.gz ROJUJIDNANVDLU-ZIAGYGMSSA-N 2 2 342.440 -1.605 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077089 792361189 /nfs/dbraw/zinc/36/11/89/792361189.db2.gz XNDZHBQAAXPWRF-KBPBESRZSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077089 792361180 /nfs/dbraw/zinc/36/11/80/792361180.db2.gz XNDZHBQAAXPWRF-KBPBESRZSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077090 792360369 /nfs/dbraw/zinc/36/03/69/792360369.db2.gz XNDZHBQAAXPWRF-KGLIPLIRSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077090 792360362 /nfs/dbraw/zinc/36/03/62/792360362.db2.gz XNDZHBQAAXPWRF-KGLIPLIRSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077091 792359555 /nfs/dbraw/zinc/35/95/55/792359555.db2.gz XNDZHBQAAXPWRF-UONOGXRCSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077091 792359545 /nfs/dbraw/zinc/35/95/45/792359545.db2.gz XNDZHBQAAXPWRF-UONOGXRCSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077092 792360920 /nfs/dbraw/zinc/36/09/20/792360920.db2.gz XNDZHBQAAXPWRF-ZIAGYGMSSA-N 2 2 340.428 -1.555 20 0 EAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077092 792360911 /nfs/dbraw/zinc/36/09/11/792360911.db2.gz XNDZHBQAAXPWRF-ZIAGYGMSSA-N 2 2 340.428 -1.555 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100077121 792361059 /nfs/dbraw/zinc/36/10/59/792361059.db2.gz XXKRCUZLQIEOQS-GHMZBOCLSA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100077121 792361050 /nfs/dbraw/zinc/36/10/50/792361050.db2.gz XXKRCUZLQIEOQS-GHMZBOCLSA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100077122 792360793 /nfs/dbraw/zinc/36/07/93/792360793.db2.gz XXKRCUZLQIEOQS-MNOVXSKESA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100077122 792360782 /nfs/dbraw/zinc/36/07/82/792360782.db2.gz XXKRCUZLQIEOQS-MNOVXSKESA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100077123 792360184 /nfs/dbraw/zinc/36/01/84/792360184.db2.gz XXKRCUZLQIEOQS-QWRGUYRKSA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100077123 792360174 /nfs/dbraw/zinc/36/01/74/792360174.db2.gz XXKRCUZLQIEOQS-QWRGUYRKSA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100077124 786461661 /nfs/dbraw/zinc/46/16/61/786461661.db2.gz XXKRCUZLQIEOQS-WDEREUQCSA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100077124 786461657 /nfs/dbraw/zinc/46/16/57/786461657.db2.gz XXKRCUZLQIEOQS-WDEREUQCSA-N 2 2 345.400 -2.689 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100080594 792362054 /nfs/dbraw/zinc/36/20/54/792362054.db2.gz KZAIJMNYVUBBDO-NEPJUHHUSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100080594 792362051 /nfs/dbraw/zinc/36/20/51/792362051.db2.gz KZAIJMNYVUBBDO-NEPJUHHUSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100080595 792364787 /nfs/dbraw/zinc/36/47/87/792364787.db2.gz KZAIJMNYVUBBDO-NWDGAFQWSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100080595 792364782 /nfs/dbraw/zinc/36/47/82/792364782.db2.gz KZAIJMNYVUBBDO-NWDGAFQWSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100080596 792362816 /nfs/dbraw/zinc/36/28/16/792362816.db2.gz KZAIJMNYVUBBDO-RYUDHWBXSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100080596 792362804 /nfs/dbraw/zinc/36/28/04/792362804.db2.gz KZAIJMNYVUBBDO-RYUDHWBXSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100080597 792363133 /nfs/dbraw/zinc/36/31/33/792363133.db2.gz KZAIJMNYVUBBDO-VXGBXAGGSA-N 2 2 343.428 -1.535 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100080597 792363123 /nfs/dbraw/zinc/36/31/23/792363123.db2.gz KZAIJMNYVUBBDO-VXGBXAGGSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082600 792363770 /nfs/dbraw/zinc/36/37/70/792363770.db2.gz FPGWNPPUHHNMKS-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082600 792363759 /nfs/dbraw/zinc/36/37/59/792363759.db2.gz FPGWNPPUHHNMKS-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082600 792363749 /nfs/dbraw/zinc/36/37/49/792363749.db2.gz FPGWNPPUHHNMKS-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082600 792363738 /nfs/dbraw/zinc/36/37/38/792363738.db2.gz FPGWNPPUHHNMKS-NEPJUHHUSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082601 786463448 /nfs/dbraw/zinc/46/34/48/786463448.db2.gz FPGWNPPUHHNMKS-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082601 786463445 /nfs/dbraw/zinc/46/34/45/786463445.db2.gz FPGWNPPUHHNMKS-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082601 786463441 /nfs/dbraw/zinc/46/34/41/786463441.db2.gz FPGWNPPUHHNMKS-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082601 786463436 /nfs/dbraw/zinc/46/34/36/786463436.db2.gz FPGWNPPUHHNMKS-NWDGAFQWSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082602 786462420 /nfs/dbraw/zinc/46/24/20/786462420.db2.gz FPGWNPPUHHNMKS-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082602 786462417 /nfs/dbraw/zinc/46/24/17/786462417.db2.gz FPGWNPPUHHNMKS-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082602 786462413 /nfs/dbraw/zinc/46/24/13/786462413.db2.gz FPGWNPPUHHNMKS-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001100082602 786462411 /nfs/dbraw/zinc/46/24/11/786462411.db2.gz FPGWNPPUHHNMKS-RYUDHWBXSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082603 786462852 /nfs/dbraw/zinc/46/28/52/786462852.db2.gz FPGWNPPUHHNMKS-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082603 786462849 /nfs/dbraw/zinc/46/28/49/786462849.db2.gz FPGWNPPUHHNMKS-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082603 786462843 /nfs/dbraw/zinc/46/28/43/786462843.db2.gz FPGWNPPUHHNMKS-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001100082603 786462838 /nfs/dbraw/zinc/46/28/38/786462838.db2.gz FPGWNPPUHHNMKS-VXGBXAGGSA-N 2 2 343.428 -1.665 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083204 792362266 /nfs/dbraw/zinc/36/22/66/792362266.db2.gz OMNLTTSKXNBHCR-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083204 792362254 /nfs/dbraw/zinc/36/22/54/792362254.db2.gz OMNLTTSKXNBHCR-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083204 792362244 /nfs/dbraw/zinc/36/22/44/792362244.db2.gz OMNLTTSKXNBHCR-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083204 792362241 /nfs/dbraw/zinc/36/22/41/792362241.db2.gz OMNLTTSKXNBHCR-GHMZBOCLSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083205 786462933 /nfs/dbraw/zinc/46/29/33/786462933.db2.gz OMNLTTSKXNBHCR-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083205 786462929 /nfs/dbraw/zinc/46/29/29/786462929.db2.gz OMNLTTSKXNBHCR-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083205 786462922 /nfs/dbraw/zinc/46/29/22/786462922.db2.gz OMNLTTSKXNBHCR-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083205 786462919 /nfs/dbraw/zinc/46/29/19/786462919.db2.gz OMNLTTSKXNBHCR-MNOVXSKESA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083206 786462747 /nfs/dbraw/zinc/46/27/47/786462747.db2.gz OMNLTTSKXNBHCR-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083206 786462745 /nfs/dbraw/zinc/46/27/45/786462745.db2.gz OMNLTTSKXNBHCR-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083206 786462741 /nfs/dbraw/zinc/46/27/41/786462741.db2.gz OMNLTTSKXNBHCR-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083206 786462737 /nfs/dbraw/zinc/46/27/37/786462737.db2.gz OMNLTTSKXNBHCR-QWRGUYRKSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083207 786462722 /nfs/dbraw/zinc/46/27/22/786462722.db2.gz OMNLTTSKXNBHCR-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083207 786462720 /nfs/dbraw/zinc/46/27/20/786462720.db2.gz OMNLTTSKXNBHCR-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083207 786462717 /nfs/dbraw/zinc/46/27/17/786462717.db2.gz OMNLTTSKXNBHCR-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083207 786462711 /nfs/dbraw/zinc/46/27/11/786462711.db2.gz OMNLTTSKXNBHCR-WDEREUQCSA-N 2 2 329.401 -1.926 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083697 786464470 /nfs/dbraw/zinc/46/44/70/786464470.db2.gz VRMPZIHGGJTMRI-NEPJUHHUSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083697 786464466 /nfs/dbraw/zinc/46/44/66/786464466.db2.gz VRMPZIHGGJTMRI-NEPJUHHUSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083697 786464464 /nfs/dbraw/zinc/46/44/64/786464464.db2.gz VRMPZIHGGJTMRI-NEPJUHHUSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083697 786464459 /nfs/dbraw/zinc/46/44/59/786464459.db2.gz VRMPZIHGGJTMRI-NEPJUHHUSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083700 786464029 /nfs/dbraw/zinc/46/40/29/786464029.db2.gz VRMPZIHGGJTMRI-NWDGAFQWSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083700 786464026 /nfs/dbraw/zinc/46/40/26/786464026.db2.gz VRMPZIHGGJTMRI-NWDGAFQWSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083700 786464019 /nfs/dbraw/zinc/46/40/19/786464019.db2.gz VRMPZIHGGJTMRI-NWDGAFQWSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083700 786464016 /nfs/dbraw/zinc/46/40/16/786464016.db2.gz VRMPZIHGGJTMRI-NWDGAFQWSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083702 786463855 /nfs/dbraw/zinc/46/38/55/786463855.db2.gz VRMPZIHGGJTMRI-RYUDHWBXSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083702 786463850 /nfs/dbraw/zinc/46/38/50/786463850.db2.gz VRMPZIHGGJTMRI-RYUDHWBXSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083702 786463846 /nfs/dbraw/zinc/46/38/46/786463846.db2.gz VRMPZIHGGJTMRI-RYUDHWBXSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083702 786463843 /nfs/dbraw/zinc/46/38/43/786463843.db2.gz VRMPZIHGGJTMRI-RYUDHWBXSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083706 786464497 /nfs/dbraw/zinc/46/44/97/786464497.db2.gz VRMPZIHGGJTMRI-VXGBXAGGSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083706 786464493 /nfs/dbraw/zinc/46/44/93/786464493.db2.gz VRMPZIHGGJTMRI-VXGBXAGGSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083706 786464487 /nfs/dbraw/zinc/46/44/87/786464487.db2.gz VRMPZIHGGJTMRI-VXGBXAGGSA-N 2 2 343.428 -1.535 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100083706 786464483 /nfs/dbraw/zinc/46/44/83/786464483.db2.gz VRMPZIHGGJTMRI-VXGBXAGGSA-N 2 2 343.428 -1.535 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100087454 792367882 /nfs/dbraw/zinc/36/78/82/792367882.db2.gz LYJIPBYEOJAZSV-GXTWGEPZSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100087454 792367873 /nfs/dbraw/zinc/36/78/73/792367873.db2.gz LYJIPBYEOJAZSV-GXTWGEPZSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100087455 792365647 /nfs/dbraw/zinc/36/56/47/792365647.db2.gz LYJIPBYEOJAZSV-JSGCOSHPSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100087455 792365638 /nfs/dbraw/zinc/36/56/38/792365638.db2.gz LYJIPBYEOJAZSV-JSGCOSHPSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100087456 792366331 /nfs/dbraw/zinc/36/63/31/792366331.db2.gz LYJIPBYEOJAZSV-OCCSQVGLSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100087456 792366321 /nfs/dbraw/zinc/36/63/21/792366321.db2.gz LYJIPBYEOJAZSV-OCCSQVGLSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100087457 792366471 /nfs/dbraw/zinc/36/64/71/792366471.db2.gz LYJIPBYEOJAZSV-TZMCWYRMSA-N 2 2 326.397 -1.179 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100087457 792366464 /nfs/dbraw/zinc/36/64/64/792366464.db2.gz LYJIPBYEOJAZSV-TZMCWYRMSA-N 2 2 326.397 -1.179 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100093986 792371321 /nfs/dbraw/zinc/37/13/21/792371321.db2.gz FRRHDXXTKUBFKS-CABCVRRESA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100093986 792371312 /nfs/dbraw/zinc/37/13/12/792371312.db2.gz FRRHDXXTKUBFKS-CABCVRRESA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100093987 792370459 /nfs/dbraw/zinc/37/04/59/792370459.db2.gz FRRHDXXTKUBFKS-GJZGRUSLSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100093987 792370446 /nfs/dbraw/zinc/37/04/46/792370446.db2.gz FRRHDXXTKUBFKS-GJZGRUSLSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100093988 792370689 /nfs/dbraw/zinc/37/06/89/792370689.db2.gz FRRHDXXTKUBFKS-HUUCEWRRSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100093988 792370681 /nfs/dbraw/zinc/37/06/81/792370681.db2.gz FRRHDXXTKUBFKS-HUUCEWRRSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100093989 792370587 /nfs/dbraw/zinc/37/05/87/792370587.db2.gz FRRHDXXTKUBFKS-LSDHHAIUSA-N 2 2 340.424 -1.087 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100093989 792370575 /nfs/dbraw/zinc/37/05/75/792370575.db2.gz FRRHDXXTKUBFKS-LSDHHAIUSA-N 2 2 340.424 -1.087 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110164 792388563 /nfs/dbraw/zinc/38/85/63/792388563.db2.gz QIGADJVUFHNVJY-GHMZBOCLSA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110164 792388551 /nfs/dbraw/zinc/38/85/51/792388551.db2.gz QIGADJVUFHNVJY-GHMZBOCLSA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110165 792387790 /nfs/dbraw/zinc/38/77/90/792387790.db2.gz QIGADJVUFHNVJY-MNOVXSKESA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110165 792387779 /nfs/dbraw/zinc/38/77/79/792387779.db2.gz QIGADJVUFHNVJY-MNOVXSKESA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110166 792387916 /nfs/dbraw/zinc/38/79/16/792387916.db2.gz QIGADJVUFHNVJY-QWRGUYRKSA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110166 792387905 /nfs/dbraw/zinc/38/79/05/792387905.db2.gz QIGADJVUFHNVJY-QWRGUYRKSA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110167 792386005 /nfs/dbraw/zinc/38/60/05/792386005.db2.gz QIGADJVUFHNVJY-WDEREUQCSA-N 2 2 327.385 -2.172 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110167 792385999 /nfs/dbraw/zinc/38/59/99/792385999.db2.gz QIGADJVUFHNVJY-WDEREUQCSA-N 2 2 327.385 -2.172 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100110320 792389076 /nfs/dbraw/zinc/38/90/76/792389076.db2.gz TXDFJMHMIREEON-GHMZBOCLSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100110320 792389062 /nfs/dbraw/zinc/38/90/62/792389062.db2.gz TXDFJMHMIREEON-GHMZBOCLSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100110321 792390288 /nfs/dbraw/zinc/39/02/88/792390288.db2.gz TXDFJMHMIREEON-MNOVXSKESA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100110321 792390271 /nfs/dbraw/zinc/39/02/71/792390271.db2.gz TXDFJMHMIREEON-MNOVXSKESA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100110322 792390608 /nfs/dbraw/zinc/39/06/08/792390608.db2.gz TXDFJMHMIREEON-QWRGUYRKSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100110322 792390603 /nfs/dbraw/zinc/39/06/03/792390603.db2.gz TXDFJMHMIREEON-QWRGUYRKSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100110323 792389911 /nfs/dbraw/zinc/38/99/11/792389911.db2.gz TXDFJMHMIREEON-WDEREUQCSA-N 2 2 338.368 -2.062 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100110323 792389899 /nfs/dbraw/zinc/38/98/99/792389899.db2.gz TXDFJMHMIREEON-WDEREUQCSA-N 2 2 338.368 -2.062 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110368 792391264 /nfs/dbraw/zinc/39/12/64/792391264.db2.gz VBHWRBYUOOEHBF-NEPJUHHUSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110368 792391254 /nfs/dbraw/zinc/39/12/54/792391254.db2.gz VBHWRBYUOOEHBF-NEPJUHHUSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110369 792389159 /nfs/dbraw/zinc/38/91/59/792389159.db2.gz VBHWRBYUOOEHBF-NWDGAFQWSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110369 792389150 /nfs/dbraw/zinc/38/91/50/792389150.db2.gz VBHWRBYUOOEHBF-NWDGAFQWSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110370 792389386 /nfs/dbraw/zinc/38/93/86/792389386.db2.gz VBHWRBYUOOEHBF-RYUDHWBXSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110370 792389377 /nfs/dbraw/zinc/38/93/77/792389377.db2.gz VBHWRBYUOOEHBF-RYUDHWBXSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110371 792390486 /nfs/dbraw/zinc/39/04/86/792390486.db2.gz VBHWRBYUOOEHBF-VXGBXAGGSA-N 2 2 341.412 -1.911 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110371 792390480 /nfs/dbraw/zinc/39/04/80/792390480.db2.gz VBHWRBYUOOEHBF-VXGBXAGGSA-N 2 2 341.412 -1.911 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110444 786472797 /nfs/dbraw/zinc/47/27/97/786472797.db2.gz VUZRWXSUZGKVDG-CHWSQXEVSA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110444 786472794 /nfs/dbraw/zinc/47/27/94/786472794.db2.gz VUZRWXSUZGKVDG-CHWSQXEVSA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110445 786472457 /nfs/dbraw/zinc/47/24/57/786472457.db2.gz VUZRWXSUZGKVDG-OLZOCXBDSA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110445 786472454 /nfs/dbraw/zinc/47/24/54/786472454.db2.gz VUZRWXSUZGKVDG-OLZOCXBDSA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110446 786472658 /nfs/dbraw/zinc/47/26/58/786472658.db2.gz VUZRWXSUZGKVDG-QWHCGFSZSA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110446 786472656 /nfs/dbraw/zinc/47/26/56/786472656.db2.gz VUZRWXSUZGKVDG-QWHCGFSZSA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110447 786471970 /nfs/dbraw/zinc/47/19/70/786471970.db2.gz VUZRWXSUZGKVDG-STQMWFEESA-N 2 2 348.469 -1.817 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110447 786471964 /nfs/dbraw/zinc/47/19/64/786471964.db2.gz VUZRWXSUZGKVDG-STQMWFEESA-N 2 2 348.469 -1.817 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132495 792405434 /nfs/dbraw/zinc/40/54/34/792405434.db2.gz UVOXMMKHKNFSNL-NEPJUHHUSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132495 792405432 /nfs/dbraw/zinc/40/54/32/792405432.db2.gz UVOXMMKHKNFSNL-NEPJUHHUSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132495 792405424 /nfs/dbraw/zinc/40/54/24/792405424.db2.gz UVOXMMKHKNFSNL-NEPJUHHUSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132495 792405417 /nfs/dbraw/zinc/40/54/17/792405417.db2.gz UVOXMMKHKNFSNL-NEPJUHHUSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132496 792405060 /nfs/dbraw/zinc/40/50/60/792405060.db2.gz UVOXMMKHKNFSNL-NWDGAFQWSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132496 792405056 /nfs/dbraw/zinc/40/50/56/792405056.db2.gz UVOXMMKHKNFSNL-NWDGAFQWSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132496 792405047 /nfs/dbraw/zinc/40/50/47/792405047.db2.gz UVOXMMKHKNFSNL-NWDGAFQWSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132496 792405044 /nfs/dbraw/zinc/40/50/44/792405044.db2.gz UVOXMMKHKNFSNL-NWDGAFQWSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132497 786618021 /nfs/dbraw/zinc/61/80/21/786618021.db2.gz UVOXMMKHKNFSNL-RYUDHWBXSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132497 786618016 /nfs/dbraw/zinc/61/80/16/786618016.db2.gz UVOXMMKHKNFSNL-RYUDHWBXSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132497 786618007 /nfs/dbraw/zinc/61/80/07/786618007.db2.gz UVOXMMKHKNFSNL-RYUDHWBXSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132497 786618003 /nfs/dbraw/zinc/61/80/03/786618003.db2.gz UVOXMMKHKNFSNL-RYUDHWBXSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132498 786617608 /nfs/dbraw/zinc/61/76/08/786617608.db2.gz UVOXMMKHKNFSNL-VXGBXAGGSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132498 786617603 /nfs/dbraw/zinc/61/76/03/786617603.db2.gz UVOXMMKHKNFSNL-VXGBXAGGSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132498 786617597 /nfs/dbraw/zinc/61/75/97/786617597.db2.gz UVOXMMKHKNFSNL-VXGBXAGGSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132498 786617591 /nfs/dbraw/zinc/61/75/91/786617591.db2.gz UVOXMMKHKNFSNL-VXGBXAGGSA-N 2 2 343.428 -1.666 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132695 792404586 /nfs/dbraw/zinc/40/45/86/792404586.db2.gz XOOHQVGSPZBKAU-GHMZBOCLSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132695 792404581 /nfs/dbraw/zinc/40/45/81/792404581.db2.gz XOOHQVGSPZBKAU-GHMZBOCLSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132695 792404577 /nfs/dbraw/zinc/40/45/77/792404577.db2.gz XOOHQVGSPZBKAU-GHMZBOCLSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132695 792404572 /nfs/dbraw/zinc/40/45/72/792404572.db2.gz XOOHQVGSPZBKAU-GHMZBOCLSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132696 792405010 /nfs/dbraw/zinc/40/50/10/792405010.db2.gz XOOHQVGSPZBKAU-MNOVXSKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132696 792405005 /nfs/dbraw/zinc/40/50/05/792405005.db2.gz XOOHQVGSPZBKAU-MNOVXSKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132696 792404993 /nfs/dbraw/zinc/40/49/93/792404993.db2.gz XOOHQVGSPZBKAU-MNOVXSKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132696 792404985 /nfs/dbraw/zinc/40/49/85/792404985.db2.gz XOOHQVGSPZBKAU-MNOVXSKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132697 792405388 /nfs/dbraw/zinc/40/53/88/792405388.db2.gz XOOHQVGSPZBKAU-QWRGUYRKSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132697 792405384 /nfs/dbraw/zinc/40/53/84/792405384.db2.gz XOOHQVGSPZBKAU-QWRGUYRKSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132697 792405378 /nfs/dbraw/zinc/40/53/78/792405378.db2.gz XOOHQVGSPZBKAU-QWRGUYRKSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001100132697 792405372 /nfs/dbraw/zinc/40/53/72/792405372.db2.gz XOOHQVGSPZBKAU-QWRGUYRKSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132698 786617959 /nfs/dbraw/zinc/61/79/59/786617959.db2.gz XOOHQVGSPZBKAU-WDEREUQCSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132698 786617955 /nfs/dbraw/zinc/61/79/55/786617955.db2.gz XOOHQVGSPZBKAU-WDEREUQCSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132698 786617952 /nfs/dbraw/zinc/61/79/52/786617952.db2.gz XOOHQVGSPZBKAU-WDEREUQCSA-N 2 2 329.401 -1.927 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C[C@H]1O ZINC001100132698 786617950 /nfs/dbraw/zinc/61/79/50/786617950.db2.gz XOOHQVGSPZBKAU-WDEREUQCSA-N 2 2 329.401 -1.927 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001100135727 786625104 /nfs/dbraw/zinc/62/51/04/786625104.db2.gz AVYHSFDGFVVLEJ-KBPBESRZSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001100135727 786625101 /nfs/dbraw/zinc/62/51/01/786625101.db2.gz AVYHSFDGFVVLEJ-KBPBESRZSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001100135728 786626306 /nfs/dbraw/zinc/62/63/06/786626306.db2.gz AVYHSFDGFVVLEJ-KGLIPLIRSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001100135728 786626305 /nfs/dbraw/zinc/62/63/05/786626305.db2.gz AVYHSFDGFVVLEJ-KGLIPLIRSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001100135729 786626165 /nfs/dbraw/zinc/62/61/65/786626165.db2.gz AVYHSFDGFVVLEJ-UONOGXRCSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001100135729 786626159 /nfs/dbraw/zinc/62/61/59/786626159.db2.gz AVYHSFDGFVVLEJ-UONOGXRCSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001100135730 786624810 /nfs/dbraw/zinc/62/48/10/786624810.db2.gz AVYHSFDGFVVLEJ-ZIAGYGMSSA-N 2 2 335.408 -1.039 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001100135730 786624806 /nfs/dbraw/zinc/62/48/06/786624806.db2.gz AVYHSFDGFVVLEJ-ZIAGYGMSSA-N 2 2 335.408 -1.039 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100633854 792449712 /nfs/dbraw/zinc/44/97/12/792449712.db2.gz SEUYMTCYUQNCPN-XIVSLSHWSA-N 2 2 336.396 -1.573 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100633854 792449705 /nfs/dbraw/zinc/44/97/05/792449705.db2.gz SEUYMTCYUQNCPN-XIVSLSHWSA-N 2 2 336.396 -1.573 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001100706335 792453274 /nfs/dbraw/zinc/45/32/74/792453274.db2.gz BJEIVELEPKMQAB-UHFFFAOYSA-N 2 2 348.407 -1.605 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100710072 792454825 /nfs/dbraw/zinc/45/48/25/792454825.db2.gz AVIUNZSWAXVCRS-UHFFFAOYSA-N 2 2 334.380 -1.012 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710254 792454176 /nfs/dbraw/zinc/45/41/76/792454176.db2.gz JTFAJOKLJRNRFB-UHFFFAOYSA-N 2 2 329.426 -1.014 20 0 EAADLP Cn1nnnc1C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758573 792456057 /nfs/dbraw/zinc/45/60/57/792456057.db2.gz DRSFRNYDKMSALI-UHFFFAOYSA-N 2 2 337.428 -1.083 20 0 EAADLP Cn1nnc(C[NH2+]C2CC(CNC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001100758820 792456391 /nfs/dbraw/zinc/45/63/91/792456391.db2.gz PVVZSBXDQOMLSB-UHFFFAOYSA-N 2 2 337.428 -1.083 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001100789440 792459974 /nfs/dbraw/zinc/45/99/74/792459974.db2.gz AWTRBSRYLNYHLH-UHFFFAOYSA-N 2 2 348.407 -1.605 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100789476 792459828 /nfs/dbraw/zinc/45/98/28/792459828.db2.gz BWJUCFACQYZABR-UHFFFAOYSA-N 2 2 334.380 -1.012 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789978 792459172 /nfs/dbraw/zinc/45/91/72/792459172.db2.gz NKGJWINPTFCJTH-UHFFFAOYSA-N 2 2 329.426 -1.014 20 0 EAADLP Cn1nnc(C[NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)n1 ZINC001100871053 792464588 /nfs/dbraw/zinc/46/45/88/792464588.db2.gz ZHELOHFTZYETMJ-UHFFFAOYSA-N 2 2 325.417 -1.227 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871101 792464755 /nfs/dbraw/zinc/46/47/55/792464755.db2.gz AZSOINKBXRLKGE-UHFFFAOYSA-N 2 2 336.396 -1.097 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100871134 792464736 /nfs/dbraw/zinc/46/47/36/792464736.db2.gz DOPXABQPUZCSSL-UHFFFAOYSA-N 2 2 348.407 -1.001 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100871147 785376075 /nfs/dbraw/zinc/37/60/75/785376075.db2.gz DXPYJHPDEFTQEJ-UHFFFAOYSA-N 2 2 343.453 -1.004 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069089 792477561 /nfs/dbraw/zinc/47/75/61/792477561.db2.gz HDDASERHMFXGAF-UHFFFAOYSA-N 2 2 329.426 -1.083 20 0 EAADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001101069408 792477909 /nfs/dbraw/zinc/47/79/09/792477909.db2.gz NSMCQZVRKVDFGJ-UHFFFAOYSA-N 2 2 334.380 -1.081 20 0 EAADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001101071717 792478034 /nfs/dbraw/zinc/47/80/34/792478034.db2.gz WSJGTFQHDNYORY-UHFFFAOYSA-N 2 2 348.407 -1.674 20 0 EAADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101375379 792493296 /nfs/dbraw/zinc/49/32/96/792493296.db2.gz PYZOPIKKRRFJDK-BMIGLBTASA-N 2 2 334.380 -1.073 20 0 EAADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101375379 792493286 /nfs/dbraw/zinc/49/32/86/792493286.db2.gz PYZOPIKKRRFJDK-BMIGLBTASA-N 2 2 334.380 -1.073 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101430147 792496172 /nfs/dbraw/zinc/49/61/72/792496172.db2.gz QZMFWUYVZRBPMI-BZNIZROVSA-N 2 2 348.407 -1.062 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101430147 792496168 /nfs/dbraw/zinc/49/61/68/792496168.db2.gz QZMFWUYVZRBPMI-BZNIZROVSA-N 2 2 348.407 -1.062 20 0 EAADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101487940 792495114 /nfs/dbraw/zinc/49/51/14/792495114.db2.gz BRYRSAQRBTZGOB-ABAIWWIYSA-N 2 2 334.380 -1.142 20 0 EAADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101487940 792495109 /nfs/dbraw/zinc/49/51/09/792495109.db2.gz BRYRSAQRBTZGOB-ABAIWWIYSA-N 2 2 334.380 -1.142 20 0 EAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101844172 792514011 /nfs/dbraw/zinc/51/40/11/792514011.db2.gz OCRRLAHRFAIMRV-IJLUTSLNSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101844172 792514005 /nfs/dbraw/zinc/51/40/05/792514005.db2.gz OCRRLAHRFAIMRV-IJLUTSLNSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844172 792514001 /nfs/dbraw/zinc/51/40/01/792514001.db2.gz OCRRLAHRFAIMRV-IJLUTSLNSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844172 792513992 /nfs/dbraw/zinc/51/39/92/792513992.db2.gz OCRRLAHRFAIMRV-IJLUTSLNSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101844173 792513897 /nfs/dbraw/zinc/51/38/97/792513897.db2.gz OCRRLAHRFAIMRV-UTUOFQBUSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101844173 792513893 /nfs/dbraw/zinc/51/38/93/792513893.db2.gz OCRRLAHRFAIMRV-UTUOFQBUSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844173 792513885 /nfs/dbraw/zinc/51/38/85/792513885.db2.gz OCRRLAHRFAIMRV-UTUOFQBUSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844173 792513878 /nfs/dbraw/zinc/51/38/78/792513878.db2.gz OCRRLAHRFAIMRV-UTUOFQBUSA-N 2 2 341.412 -1.804 20 0 EAADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511465 792546749 /nfs/dbraw/zinc/54/67/49/792546749.db2.gz YDOAHZOKMJCECU-CHWSQXEVSA-N 2 2 339.444 -1.028 20 0 EAADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511465 792546742 /nfs/dbraw/zinc/54/67/42/792546742.db2.gz YDOAHZOKMJCECU-CHWSQXEVSA-N 2 2 339.444 -1.028 20 0 EAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513005 792547436 /nfs/dbraw/zinc/54/74/36/792547436.db2.gz PCIPKJGQEWJDHW-GHMZBOCLSA-N 2 2 336.396 -1.158 20 0 EAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513005 792547429 /nfs/dbraw/zinc/54/74/29/792547429.db2.gz PCIPKJGQEWJDHW-GHMZBOCLSA-N 2 2 336.396 -1.158 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1)C(N)=O ZINC001105192553 785305265 /nfs/dbraw/zinc/30/52/65/785305265.db2.gz UNRAZOBSNUVZOW-GWCFXTLKSA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192553 785305256 /nfs/dbraw/zinc/30/52/56/785305256.db2.gz UNRAZOBSNUVZOW-GWCFXTLKSA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1)C(N)=O ZINC001105192554 785304722 /nfs/dbraw/zinc/30/47/22/785304722.db2.gz UNRAZOBSNUVZOW-GXFFZTMASA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192554 785304709 /nfs/dbraw/zinc/30/47/09/785304709.db2.gz UNRAZOBSNUVZOW-GXFFZTMASA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1)C(N)=O ZINC001105192555 785304639 /nfs/dbraw/zinc/30/46/39/785304639.db2.gz UNRAZOBSNUVZOW-MFKMUULPSA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192555 785304626 /nfs/dbraw/zinc/30/46/26/785304626.db2.gz UNRAZOBSNUVZOW-MFKMUULPSA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1)C(N)=O ZINC001105192556 785305215 /nfs/dbraw/zinc/30/52/15/785305215.db2.gz UNRAZOBSNUVZOW-ZWNOBZJWSA-N 2 2 335.412 -1.281 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1)C(N)=O ZINC001105192556 785305205 /nfs/dbraw/zinc/30/52/05/785305205.db2.gz UNRAZOBSNUVZOW-ZWNOBZJWSA-N 2 2 335.412 -1.281 20 0 EAADLP COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105200087 785305455 /nfs/dbraw/zinc/30/54/55/785305455.db2.gz XOTXAPKOORGGJR-AWEZNQCLSA-N 2 2 338.412 -1.272 20 0 EAADLP COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105200087 785305443 /nfs/dbraw/zinc/30/54/43/785305443.db2.gz XOTXAPKOORGGJR-AWEZNQCLSA-N 2 2 338.412 -1.272 20 0 EAADLP COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105200088 785305496 /nfs/dbraw/zinc/30/54/96/785305496.db2.gz XOTXAPKOORGGJR-CQSZACIVSA-N 2 2 338.412 -1.272 20 0 EAADLP COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105200088 785305487 /nfs/dbraw/zinc/30/54/87/785305487.db2.gz XOTXAPKOORGGJR-CQSZACIVSA-N 2 2 338.412 -1.272 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@H+]1C ZINC001105242748 785314772 /nfs/dbraw/zinc/31/47/72/785314772.db2.gz GMEZKJQPYZYTQH-ZWNOBZJWSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001105242748 785314769 /nfs/dbraw/zinc/31/47/69/785314769.db2.gz GMEZKJQPYZYTQH-ZWNOBZJWSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1)C(N)=O ZINC001105242923 785315630 /nfs/dbraw/zinc/31/56/30/785315630.db2.gz NWZHTBZVYYAOBX-JTNHKYCSSA-N 2 2 349.439 -1.035 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1)C(N)=O ZINC001105242923 785315620 /nfs/dbraw/zinc/31/56/20/785315620.db2.gz NWZHTBZVYYAOBX-JTNHKYCSSA-N 2 2 349.439 -1.035 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1)C(N)=O ZINC001105242925 785314109 /nfs/dbraw/zinc/31/41/09/785314109.db2.gz NWZHTBZVYYAOBX-MISXGVKJSA-N 2 2 349.439 -1.035 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1)C(N)=O ZINC001105242925 785314094 /nfs/dbraw/zinc/31/40/94/785314094.db2.gz NWZHTBZVYYAOBX-MISXGVKJSA-N 2 2 349.439 -1.035 20 0 EAADLP NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242937 785315541 /nfs/dbraw/zinc/31/55/41/785315541.db2.gz OEYPYHYJKZOCOF-AWEZNQCLSA-N 2 2 347.423 -1.422 20 0 EAADLP NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242940 785315105 /nfs/dbraw/zinc/31/51/05/785315105.db2.gz OEYPYHYJKZOCOF-CQSZACIVSA-N 2 2 347.423 -1.422 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243218 785313999 /nfs/dbraw/zinc/31/39/99/785313999.db2.gz ZGGTVIWHPZEXRO-BXUZGUMPSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243218 785313988 /nfs/dbraw/zinc/31/39/88/785313988.db2.gz ZGGTVIWHPZEXRO-BXUZGUMPSA-N 2 2 349.439 -1.163 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@H+]1C ZINC001105243873 785315369 /nfs/dbraw/zinc/31/53/69/785315369.db2.gz KKBWPXWORRCSLR-UONOGXRCSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001105243873 785315362 /nfs/dbraw/zinc/31/53/62/785315362.db2.gz KKBWPXWORRCSLR-UONOGXRCSA-N 2 2 349.439 -1.033 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259474 785318963 /nfs/dbraw/zinc/31/89/63/785318963.db2.gz AAYLLZYMKDURGW-HNNXBMFYSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259475 785319720 /nfs/dbraw/zinc/31/97/20/785319720.db2.gz AAYLLZYMKDURGW-OAHLLOKOSA-N 2 2 349.439 -1.163 20 0 EAADLP C[NH+](C)C1(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CCC1 ZINC001105259574 785318982 /nfs/dbraw/zinc/31/89/82/785318982.db2.gz FBQNIYCFYKWDNU-UHFFFAOYSA-N 2 2 335.412 -1.279 20 0 EAADLP C[NH+](C)[C@H](C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CC1 ZINC001105259715 785318451 /nfs/dbraw/zinc/31/84/51/785318451.db2.gz JGBNZZBULQDFNP-AWEZNQCLSA-N 2 2 335.412 -1.424 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CC1 ZINC001105259716 785318404 /nfs/dbraw/zinc/31/84/04/785318404.db2.gz JGBNZZBULQDFNP-CQSZACIVSA-N 2 2 335.412 -1.424 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105260021 785318776 /nfs/dbraw/zinc/31/87/76/785318776.db2.gz XLCIOROPXXDNCS-UHFFFAOYSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105260021 785318764 /nfs/dbraw/zinc/31/87/64/785318764.db2.gz XLCIOROPXXDNCS-UHFFFAOYSA-N 2 2 349.439 -1.019 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260034 785319790 /nfs/dbraw/zinc/31/97/90/785319790.db2.gz XZZRHAVGMRYJNG-HZMBPMFUSA-N 2 2 349.439 -1.035 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260035 785319441 /nfs/dbraw/zinc/31/94/41/785319441.db2.gz XZZRHAVGMRYJNG-IINYFYTJSA-N 2 2 349.439 -1.035 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260036 785319042 /nfs/dbraw/zinc/31/90/42/785319042.db2.gz XZZRHAVGMRYJNG-QMTHXVAHSA-N 2 2 349.439 -1.035 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1)C(N)=O ZINC001105260037 785319827 /nfs/dbraw/zinc/31/98/27/785319827.db2.gz XZZRHAVGMRYJNG-YGRLFVJLSA-N 2 2 349.439 -1.035 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105260042 785319630 /nfs/dbraw/zinc/31/96/30/785319630.db2.gz YGBKRXWEUPGAOX-UHFFFAOYSA-N 2 2 349.439 -1.019 20 0 EAADLP C[N@@H+](CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CCC1 ZINC001105262144 785318641 /nfs/dbraw/zinc/31/86/41/785318641.db2.gz JFWYQILFWBFNAX-UHFFFAOYSA-N 2 2 335.412 -1.279 20 0 EAADLP C[N@H+](CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)C1CCC1 ZINC001105262144 785318632 /nfs/dbraw/zinc/31/86/32/785318632.db2.gz JFWYQILFWBFNAX-UHFFFAOYSA-N 2 2 335.412 -1.279 20 0 EAADLP CC(C)[C@@H](C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001105264217 785321114 /nfs/dbraw/zinc/32/11/14/785321114.db2.gz ATOVVCRTWUTNFE-AWEZNQCLSA-N 2 2 337.428 -1.178 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)O1 ZINC001105268135 785321510 /nfs/dbraw/zinc/32/15/10/785321510.db2.gz BBAGLKGCMSEMJN-BXUZGUMPSA-N 2 2 338.412 -1.538 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)O1 ZINC001105268135 785321498 /nfs/dbraw/zinc/32/14/98/785321498.db2.gz BBAGLKGCMSEMJN-BXUZGUMPSA-N 2 2 338.412 -1.538 20 0 EAADLP CC[C@H](C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1)[NH+](C)C ZINC001105268237 785320942 /nfs/dbraw/zinc/32/09/42/785320942.db2.gz GICSDTLFVLWVME-GXFFZTMASA-N 2 2 337.428 -1.035 20 0 EAADLP CC[C@H](C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1)[NH+](C)C ZINC001105268238 785321404 /nfs/dbraw/zinc/32/14/04/785321404.db2.gz GICSDTLFVLWVME-ZWNOBZJWSA-N 2 2 337.428 -1.035 20 0 EAADLP CC[C@H](C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1)[NH+](C)C ZINC001105268341 785320040 /nfs/dbraw/zinc/32/00/40/785320040.db2.gz KJKGEVCDTVYNGK-CYBMUJFWSA-N 2 2 337.428 -1.163 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268768 785320602 /nfs/dbraw/zinc/32/06/02/785320602.db2.gz YPJRBFJXWCUQFR-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268768 785320596 /nfs/dbraw/zinc/32/05/96/785320596.db2.gz YPJRBFJXWCUQFR-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268769 785321391 /nfs/dbraw/zinc/32/13/91/785321391.db2.gz YPJRBFJXWCUQFR-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268769 785321387 /nfs/dbraw/zinc/32/13/87/785321387.db2.gz YPJRBFJXWCUQFR-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105272551 785322777 /nfs/dbraw/zinc/32/27/77/785322777.db2.gz MVGKBOFDQZWAMD-UHFFFAOYSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105272551 785322770 /nfs/dbraw/zinc/32/27/70/785322770.db2.gz MVGKBOFDQZWAMD-UHFFFAOYSA-N 2 2 337.428 -1.033 20 0 EAADLP NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276621 785324221 /nfs/dbraw/zinc/32/42/21/785324221.db2.gz MRNPRYAVFPBVPO-UHFFFAOYSA-N 2 2 347.423 -1.135 20 0 EAADLP C[C@H]1C[C@@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@H+]1C ZINC001105312507 785334751 /nfs/dbraw/zinc/33/47/51/785334751.db2.gz PBHNEBNPVGRZQI-RYUDHWBXSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]1C[C@@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001105312507 785334745 /nfs/dbraw/zinc/33/47/45/785334745.db2.gz PBHNEBNPVGRZQI-RYUDHWBXSA-N 2 2 349.439 -1.033 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105313539 785334556 /nfs/dbraw/zinc/33/45/56/785334556.db2.gz CYKQXZJHFMSGAN-UHFFFAOYSA-N 2 2 349.439 -1.161 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001105313736 785335520 /nfs/dbraw/zinc/33/55/20/785335520.db2.gz HMXYWRIHTYABTM-UHFFFAOYSA-N 2 2 335.412 -1.422 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1)C(N)=O ZINC001105314374 785335057 /nfs/dbraw/zinc/33/50/57/785335057.db2.gz QZRBBCARJBZWIM-LLVKDONJSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1)C(N)=O ZINC001105314376 785334859 /nfs/dbraw/zinc/33/48/59/785334859.db2.gz QZRBBCARJBZWIM-NSHDSACASA-N 2 2 349.439 -1.033 20 0 EAADLP C[NH+](C)CCCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105315224 785337516 /nfs/dbraw/zinc/33/75/16/785337516.db2.gz CFQVJRGJVQTRGQ-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+](C)CCCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105315225 785336744 /nfs/dbraw/zinc/33/67/44/785336744.db2.gz CFQVJRGJVQTRGQ-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315426 785334703 /nfs/dbraw/zinc/33/47/03/785334703.db2.gz NCIQXEOGOGPNRH-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1)C(N)=O ZINC001105315535 785336852 /nfs/dbraw/zinc/33/68/52/785336852.db2.gz SHBQYIWEZBBWQP-LLVKDONJSA-N 2 2 337.428 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1)C(N)=O ZINC001105315536 785336439 /nfs/dbraw/zinc/33/64/39/785336439.db2.gz SHBQYIWEZBBWQP-NSHDSACASA-N 2 2 337.428 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1)C(N)=O ZINC001105318605 785337047 /nfs/dbraw/zinc/33/70/47/785337047.db2.gz HNIONBFLTFPQBK-LLVKDONJSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1)C(N)=O ZINC001105318606 785336758 /nfs/dbraw/zinc/33/67/58/785336758.db2.gz HNIONBFLTFPQBK-NSHDSACASA-N 2 2 349.439 -1.033 20 0 EAADLP C[NH+]1CCC(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001105318872 785336964 /nfs/dbraw/zinc/33/69/64/785336964.db2.gz SDGHYQFLJJNJQZ-UHFFFAOYSA-N 2 2 335.412 -1.422 20 0 EAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N3CCC3)nn2)C1 ZINC001105318901 785336953 /nfs/dbraw/zinc/33/69/53/785336953.db2.gz TWPZLBXPFZTYCD-UHFFFAOYSA-N 2 2 349.439 -1.065 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105319058 785337596 /nfs/dbraw/zinc/33/75/96/785337596.db2.gz XVIGSNXAYUUATA-UHFFFAOYSA-N 2 2 349.439 -1.161 20 0 EAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC3CC3)nn2)C1 ZINC001105320561 785339456 /nfs/dbraw/zinc/33/94/56/785339456.db2.gz ARWFALOSMCMBLU-UHFFFAOYSA-N 2 2 349.439 -1.019 20 0 EAADLP CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320562 785338631 /nfs/dbraw/zinc/33/86/31/785338631.db2.gz ATNUYSGAJTVUIG-UHFFFAOYSA-N 2 2 337.428 -1.209 20 0 EAADLP CC(C)[C@H](C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001105320563 785338580 /nfs/dbraw/zinc/33/85/80/785338580.db2.gz ATOVVCRTWUTNFE-CQSZACIVSA-N 2 2 337.428 -1.178 20 0 EAADLP CN1CC[C@H]([NH2+]Cc2cn(C3CN(C(=O)CC[NH+](C)C)C3)nn2)C1=O ZINC001105320619 785339343 /nfs/dbraw/zinc/33/93/43/785339343.db2.gz DBXUVVOEJPENRQ-AWEZNQCLSA-N 2 2 349.439 -1.067 20 0 EAADLP CN1CC[C@@H]([NH2+]Cc2cn(C3CN(C(=O)CC[NH+](C)C)C3)nn2)C1=O ZINC001105320620 785339006 /nfs/dbraw/zinc/33/90/06/785339006.db2.gz DBXUVVOEJPENRQ-CQSZACIVSA-N 2 2 349.439 -1.067 20 0 EAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105320871 785338101 /nfs/dbraw/zinc/33/81/01/785338101.db2.gz NGNXOBIHNAMCGL-CYBMUJFWSA-N 2 2 335.412 -1.409 20 0 EAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105320872 785339578 /nfs/dbraw/zinc/33/95/78/785339578.db2.gz NGNXOBIHNAMCGL-ZDUSSCGKSA-N 2 2 335.412 -1.409 20 0 EAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCCNC3=O)nn2)C1 ZINC001105320936 785339526 /nfs/dbraw/zinc/33/95/26/785339526.db2.gz QNEMMKNFTAZUPZ-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCCNC3=O)nn2)C1 ZINC001105320937 785338786 /nfs/dbraw/zinc/33/87/86/785338786.db2.gz QNEMMKNFTAZUPZ-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001105321168 785339199 /nfs/dbraw/zinc/33/91/99/785339199.db2.gz XOGHRRGDEDYGOM-CYBMUJFWSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001105321170 785338295 /nfs/dbraw/zinc/33/82/95/785338295.db2.gz XOGHRRGDEDYGOM-ZDUSSCGKSA-N 2 2 337.428 -1.033 20 0 EAADLP CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321172 785338909 /nfs/dbraw/zinc/33/89/09/785338909.db2.gz XRZKPLGFQHJTBB-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321184 785338451 /nfs/dbraw/zinc/33/84/51/785338451.db2.gz XZUSXVMGNZIRCC-LLVKDONJSA-N 2 2 337.428 -1.163 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321185 785338714 /nfs/dbraw/zinc/33/87/14/785338714.db2.gz XZUSXVMGNZIRCC-NSHDSACASA-N 2 2 337.428 -1.163 20 0 EAADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326662 785341556 /nfs/dbraw/zinc/34/15/56/785341556.db2.gz AWTHLNNBRXANFP-LLVKDONJSA-N 2 2 335.412 -1.279 20 0 EAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326662 785341549 /nfs/dbraw/zinc/34/15/49/785341549.db2.gz AWTHLNNBRXANFP-LLVKDONJSA-N 2 2 335.412 -1.279 20 0 EAADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326663 785341680 /nfs/dbraw/zinc/34/16/80/785341680.db2.gz AWTHLNNBRXANFP-NSHDSACASA-N 2 2 335.412 -1.279 20 0 EAADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326663 785341678 /nfs/dbraw/zinc/34/16/78/785341678.db2.gz AWTHLNNBRXANFP-NSHDSACASA-N 2 2 335.412 -1.279 20 0 EAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105326742 785341358 /nfs/dbraw/zinc/34/13/58/785341358.db2.gz DTDBORNHFIQRAI-LLVKDONJSA-N 2 2 335.412 -1.422 20 0 EAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105326742 785341351 /nfs/dbraw/zinc/34/13/51/785341351.db2.gz DTDBORNHFIQRAI-LLVKDONJSA-N 2 2 335.412 -1.422 20 0 EAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105326743 785340803 /nfs/dbraw/zinc/34/08/03/785340803.db2.gz DTDBORNHFIQRAI-NSHDSACASA-N 2 2 335.412 -1.422 20 0 EAADLP C[C@H]1CC[N@H+](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105326743 785340794 /nfs/dbraw/zinc/34/07/94/785340794.db2.gz DTDBORNHFIQRAI-NSHDSACASA-N 2 2 335.412 -1.422 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326947 785340771 /nfs/dbraw/zinc/34/07/71/785340771.db2.gz MXKRMYWUMZSDSY-GWCFXTLKSA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326947 785340759 /nfs/dbraw/zinc/34/07/59/785340759.db2.gz MXKRMYWUMZSDSY-GWCFXTLKSA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326948 785341131 /nfs/dbraw/zinc/34/11/31/785341131.db2.gz MXKRMYWUMZSDSY-GXFFZTMASA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326948 785341119 /nfs/dbraw/zinc/34/11/19/785341119.db2.gz MXKRMYWUMZSDSY-GXFFZTMASA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326949 785340938 /nfs/dbraw/zinc/34/09/38/785340938.db2.gz MXKRMYWUMZSDSY-MFKMUULPSA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326949 785340929 /nfs/dbraw/zinc/34/09/29/785340929.db2.gz MXKRMYWUMZSDSY-MFKMUULPSA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326950 785341046 /nfs/dbraw/zinc/34/10/46/785341046.db2.gz MXKRMYWUMZSDSY-ZWNOBZJWSA-N 2 2 335.412 -1.566 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105326950 785341036 /nfs/dbraw/zinc/34/10/36/785341036.db2.gz MXKRMYWUMZSDSY-ZWNOBZJWSA-N 2 2 335.412 -1.566 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327042 785341856 /nfs/dbraw/zinc/34/18/56/785341856.db2.gz PWBUMPDYSYHOTO-GFCCVEGCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327042 785341848 /nfs/dbraw/zinc/34/18/48/785341848.db2.gz PWBUMPDYSYHOTO-GFCCVEGCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327043 785340042 /nfs/dbraw/zinc/34/00/42/785340042.db2.gz PWBUMPDYSYHOTO-LBPRGKRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327043 785340034 /nfs/dbraw/zinc/34/00/34/785340034.db2.gz PWBUMPDYSYHOTO-LBPRGKRZSA-N 2 2 349.439 -1.019 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1)C(N)=O ZINC001105327071 785340657 /nfs/dbraw/zinc/34/06/57/785340657.db2.gz RHIWHQUURGNEAJ-NEPJUHHUSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1)C(N)=O ZINC001105327071 785340647 /nfs/dbraw/zinc/34/06/47/785340647.db2.gz RHIWHQUURGNEAJ-NEPJUHHUSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1)C(N)=O ZINC001105327072 785341514 /nfs/dbraw/zinc/34/15/14/785341514.db2.gz RHIWHQUURGNEAJ-NWDGAFQWSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1)C(N)=O ZINC001105327072 785341506 /nfs/dbraw/zinc/34/15/06/785341506.db2.gz RHIWHQUURGNEAJ-NWDGAFQWSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1)C(N)=O ZINC001105327073 785340476 /nfs/dbraw/zinc/34/04/76/785340476.db2.gz RHIWHQUURGNEAJ-RYUDHWBXSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1)C(N)=O ZINC001105327073 785340467 /nfs/dbraw/zinc/34/04/67/785340467.db2.gz RHIWHQUURGNEAJ-RYUDHWBXSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1)C(N)=O ZINC001105327074 785340567 /nfs/dbraw/zinc/34/05/67/785340567.db2.gz RHIWHQUURGNEAJ-VXGBXAGGSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1)C(N)=O ZINC001105327074 785340561 /nfs/dbraw/zinc/34/05/61/785340561.db2.gz RHIWHQUURGNEAJ-VXGBXAGGSA-N 2 2 349.439 -1.033 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327114 785341638 /nfs/dbraw/zinc/34/16/38/785341638.db2.gz SUTQWSLJPPEIIF-BXUZGUMPSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327114 785341634 /nfs/dbraw/zinc/34/16/34/785341634.db2.gz SUTQWSLJPPEIIF-BXUZGUMPSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327115 785341612 /nfs/dbraw/zinc/34/16/12/785341612.db2.gz SUTQWSLJPPEIIF-FZMZJTMJSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327115 785341607 /nfs/dbraw/zinc/34/16/07/785341607.db2.gz SUTQWSLJPPEIIF-FZMZJTMJSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327116 785340383 /nfs/dbraw/zinc/34/03/83/785340383.db2.gz SUTQWSLJPPEIIF-RISCZKNCSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327116 785340376 /nfs/dbraw/zinc/34/03/76/785340376.db2.gz SUTQWSLJPPEIIF-RISCZKNCSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327117 785340137 /nfs/dbraw/zinc/34/01/37/785340137.db2.gz SUTQWSLJPPEIIF-SMDDNHRTSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327117 785340131 /nfs/dbraw/zinc/34/01/31/785340131.db2.gz SUTQWSLJPPEIIF-SMDDNHRTSA-N 2 2 349.439 -1.305 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327225 785341419 /nfs/dbraw/zinc/34/14/19/785341419.db2.gz XHPQDTYCSDHKGG-GFCCVEGCSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327225 785341408 /nfs/dbraw/zinc/34/14/08/785341408.db2.gz XHPQDTYCSDHKGG-GFCCVEGCSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327226 785341467 /nfs/dbraw/zinc/34/14/67/785341467.db2.gz XHPQDTYCSDHKGG-LBPRGKRZSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327226 785341459 /nfs/dbraw/zinc/34/14/59/785341459.db2.gz XHPQDTYCSDHKGG-LBPRGKRZSA-N 2 2 349.439 -1.161 20 0 EAADLP CC1(C)CC[N@@H+](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105328494 785343186 /nfs/dbraw/zinc/34/31/86/785343186.db2.gz HRCKHLHWDTUEPD-UHFFFAOYSA-N 2 2 349.439 -1.032 20 0 EAADLP CC1(C)CC[N@H+](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105328494 785343174 /nfs/dbraw/zinc/34/31/74/785343174.db2.gz HRCKHLHWDTUEPD-UHFFFAOYSA-N 2 2 349.439 -1.032 20 0 EAADLP CC[C@@H](C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1)[NH+](C)C ZINC001105328565 785343643 /nfs/dbraw/zinc/34/36/43/785343643.db2.gz KJKGEVCDTVYNGK-ZDUSSCGKSA-N 2 2 337.428 -1.163 20 0 EAADLP C[NH+]1CCC(CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001105338938 785361035 /nfs/dbraw/zinc/36/10/35/785361035.db2.gz FGYHUVGTJXUMOJ-UHFFFAOYSA-N 2 2 349.439 -1.032 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105342418 785374677 /nfs/dbraw/zinc/37/46/77/785374677.db2.gz CWRBHJQNOQVPEO-UHFFFAOYSA-N 2 2 338.412 -1.534 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105344166 785375957 /nfs/dbraw/zinc/37/59/57/785375957.db2.gz QMFQVJIXZXGVBN-LLVKDONJSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105344167 785375007 /nfs/dbraw/zinc/37/50/07/785375007.db2.gz QMFQVJIXZXGVBN-NSHDSACASA-N 2 2 337.428 -1.033 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105347364 785384108 /nfs/dbraw/zinc/38/41/08/785384108.db2.gz BDTINPZQUQBNAE-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105347458 785383418 /nfs/dbraw/zinc/38/34/18/785383418.db2.gz FGCXJVZNIINRPS-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[NH+](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105347460 785383653 /nfs/dbraw/zinc/38/36/53/785383653.db2.gz FGCXJVZNIINRPS-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105357679 785393015 /nfs/dbraw/zinc/39/30/15/785393015.db2.gz JPHKYPPYQPHOHU-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105357679 785393009 /nfs/dbraw/zinc/39/30/09/785393009.db2.gz JPHKYPPYQPHOHU-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105358024 785393446 /nfs/dbraw/zinc/39/34/46/785393446.db2.gz QQAFGYXDVFCMGI-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105358024 785393441 /nfs/dbraw/zinc/39/34/41/785393441.db2.gz QQAFGYXDVFCMGI-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105358025 785392693 /nfs/dbraw/zinc/39/26/93/785392693.db2.gz QQAFGYXDVFCMGI-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105358025 785392684 /nfs/dbraw/zinc/39/26/84/785392684.db2.gz QQAFGYXDVFCMGI-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105358269 785391888 /nfs/dbraw/zinc/39/18/88/785391888.db2.gz VJISFSDHBZPZGC-LLVKDONJSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105358269 785391882 /nfs/dbraw/zinc/39/18/82/785391882.db2.gz VJISFSDHBZPZGC-LLVKDONJSA-N 2 2 337.428 -1.033 20 0 EAADLP CC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105358270 785393168 /nfs/dbraw/zinc/39/31/68/785393168.db2.gz VJISFSDHBZPZGC-NSHDSACASA-N 2 2 337.428 -1.033 20 0 EAADLP CC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105358270 785393158 /nfs/dbraw/zinc/39/31/58/785393158.db2.gz VJISFSDHBZPZGC-NSHDSACASA-N 2 2 337.428 -1.033 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105360893 785423907 /nfs/dbraw/zinc/42/39/07/785423907.db2.gz LSAASVHDXCLZFX-GFCCVEGCSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360893 785423895 /nfs/dbraw/zinc/42/38/95/785423895.db2.gz LSAASVHDXCLZFX-GFCCVEGCSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105360896 785424496 /nfs/dbraw/zinc/42/44/96/785424496.db2.gz LSAASVHDXCLZFX-LBPRGKRZSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360896 785424492 /nfs/dbraw/zinc/42/44/92/785424492.db2.gz LSAASVHDXCLZFX-LBPRGKRZSA-N 2 2 349.439 -1.161 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361053 785425944 /nfs/dbraw/zinc/42/59/44/785425944.db2.gz OWTNALOAQIPBKI-UHFFFAOYSA-N 2 2 347.423 -1.407 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1)C(N)=O ZINC001105361147 785425675 /nfs/dbraw/zinc/42/56/75/785425675.db2.gz RXRLXGRKJDMNIN-LLVKDONJSA-N 2 2 347.423 -1.279 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1)C(N)=O ZINC001105361149 785425220 /nfs/dbraw/zinc/42/52/20/785425220.db2.gz RXRLXGRKJDMNIN-NSHDSACASA-N 2 2 347.423 -1.279 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105361164 785425970 /nfs/dbraw/zinc/42/59/70/785425970.db2.gz SEESJJWXJAGMKI-NEPJUHHUSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105361164 785425967 /nfs/dbraw/zinc/42/59/67/785425967.db2.gz SEESJJWXJAGMKI-NEPJUHHUSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105361166 785426080 /nfs/dbraw/zinc/42/60/80/785426080.db2.gz SEESJJWXJAGMKI-NWDGAFQWSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105361166 785426076 /nfs/dbraw/zinc/42/60/76/785426076.db2.gz SEESJJWXJAGMKI-NWDGAFQWSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105361167 785426044 /nfs/dbraw/zinc/42/60/44/785426044.db2.gz SEESJJWXJAGMKI-RYUDHWBXSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105361167 785426042 /nfs/dbraw/zinc/42/60/42/785426042.db2.gz SEESJJWXJAGMKI-RYUDHWBXSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105361168 785426064 /nfs/dbraw/zinc/42/60/64/785426064.db2.gz SEESJJWXJAGMKI-VXGBXAGGSA-N 2 2 349.439 -1.033 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105361168 785426062 /nfs/dbraw/zinc/42/60/62/785426062.db2.gz SEESJJWXJAGMKI-VXGBXAGGSA-N 2 2 349.439 -1.033 20 0 EAADLP NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361319 785425176 /nfs/dbraw/zinc/42/51/76/785425176.db2.gz WDVLCRGEABENCW-UHFFFAOYSA-N 2 2 333.396 -1.668 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105361370 785425652 /nfs/dbraw/zinc/42/56/52/785425652.db2.gz XZHIQIWFLDQHIT-LLVKDONJSA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105361370 785425647 /nfs/dbraw/zinc/42/56/47/785425647.db2.gz XZHIQIWFLDQHIT-LLVKDONJSA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105361372 785425547 /nfs/dbraw/zinc/42/55/47/785425547.db2.gz XZHIQIWFLDQHIT-NSHDSACASA-N 2 2 335.412 -1.422 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105361372 785425540 /nfs/dbraw/zinc/42/55/40/785425540.db2.gz XZHIQIWFLDQHIT-NSHDSACASA-N 2 2 335.412 -1.422 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105361389 785425817 /nfs/dbraw/zinc/42/58/17/785425817.db2.gz ZDUMQGQOUDHHLU-UHFFFAOYSA-N 2 2 339.400 -2.186 20 0 EAADLP C[NH+](C)CCCCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105363415 785431894 /nfs/dbraw/zinc/43/18/94/785431894.db2.gz ZYRSLKNIZJMHPI-UHFFFAOYSA-N 2 2 337.428 -1.032 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105364946 785433695 /nfs/dbraw/zinc/43/36/95/785433695.db2.gz GJJKYTHRCACJES-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105364946 785433693 /nfs/dbraw/zinc/43/36/93/785433693.db2.gz GJJKYTHRCACJES-AWEZNQCLSA-N 2 2 349.439 -1.019 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105364947 785433721 /nfs/dbraw/zinc/43/37/21/785433721.db2.gz GJJKYTHRCACJES-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105364947 785433716 /nfs/dbraw/zinc/43/37/16/785433716.db2.gz GJJKYTHRCACJES-CQSZACIVSA-N 2 2 349.439 -1.019 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105365130 785434149 /nfs/dbraw/zinc/43/41/49/785434149.db2.gz IGOKARMKDCLSHZ-UHFFFAOYSA-N 2 2 337.428 -1.032 20 0 EAADLP CCC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105365130 785434143 /nfs/dbraw/zinc/43/41/43/785434143.db2.gz IGOKARMKDCLSHZ-UHFFFAOYSA-N 2 2 337.428 -1.032 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105365451 785433759 /nfs/dbraw/zinc/43/37/59/785433759.db2.gz TYWGQVYOXYFFDU-LLVKDONJSA-N 2 2 337.428 -1.033 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105365451 785433757 /nfs/dbraw/zinc/43/37/57/785433757.db2.gz TYWGQVYOXYFFDU-LLVKDONJSA-N 2 2 337.428 -1.033 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105365452 785434017 /nfs/dbraw/zinc/43/40/17/785434017.db2.gz TYWGQVYOXYFFDU-NSHDSACASA-N 2 2 337.428 -1.033 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105365452 785434010 /nfs/dbraw/zinc/43/40/10/785434010.db2.gz TYWGQVYOXYFFDU-NSHDSACASA-N 2 2 337.428 -1.033 20 0 EAADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105365534 785431260 /nfs/dbraw/zinc/43/12/60/785431260.db2.gz YTNINGBPXOTOTH-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP CCC[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105365534 785431255 /nfs/dbraw/zinc/43/12/55/785431255.db2.gz YTNINGBPXOTOTH-UHFFFAOYSA-N 2 2 337.428 -1.161 20 0 EAADLP CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372340 785457132 /nfs/dbraw/zinc/45/71/32/785457132.db2.gz AXBPNBUGRRILHS-BXUZGUMPSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372340 785457127 /nfs/dbraw/zinc/45/71/27/785457127.db2.gz AXBPNBUGRRILHS-BXUZGUMPSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372341 785457632 /nfs/dbraw/zinc/45/76/32/785457632.db2.gz AXBPNBUGRRILHS-FZMZJTMJSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372341 785457624 /nfs/dbraw/zinc/45/76/24/785457624.db2.gz AXBPNBUGRRILHS-FZMZJTMJSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372342 785457054 /nfs/dbraw/zinc/45/70/54/785457054.db2.gz AXBPNBUGRRILHS-RISCZKNCSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372342 785457048 /nfs/dbraw/zinc/45/70/48/785457048.db2.gz AXBPNBUGRRILHS-RISCZKNCSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372343 785456944 /nfs/dbraw/zinc/45/69/44/785456944.db2.gz AXBPNBUGRRILHS-SMDDNHRTSA-N 2 2 349.439 -1.033 20 0 EAADLP CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372343 785456938 /nfs/dbraw/zinc/45/69/38/785456938.db2.gz AXBPNBUGRRILHS-SMDDNHRTSA-N 2 2 349.439 -1.033 20 0 EAADLP CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372378 785457238 /nfs/dbraw/zinc/45/72/38/785457238.db2.gz CHRKPGJCWNZGLI-UHFFFAOYSA-N 2 2 349.439 -1.065 20 0 EAADLP CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372398 785457501 /nfs/dbraw/zinc/45/75/01/785457501.db2.gz DIXJPAGCPRNYCZ-GFCCVEGCSA-N 2 2 349.439 -1.161 20 0 EAADLP CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372398 785457495 /nfs/dbraw/zinc/45/74/95/785457495.db2.gz DIXJPAGCPRNYCZ-GFCCVEGCSA-N 2 2 349.439 -1.161 20 0 EAADLP CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372399 785457339 /nfs/dbraw/zinc/45/73/39/785457339.db2.gz DIXJPAGCPRNYCZ-LBPRGKRZSA-N 2 2 349.439 -1.161 20 0 EAADLP CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372399 785457335 /nfs/dbraw/zinc/45/73/35/785457335.db2.gz DIXJPAGCPRNYCZ-LBPRGKRZSA-N 2 2 349.439 -1.161 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1)C(N)=O ZINC001105372478 785456217 /nfs/dbraw/zinc/45/62/17/785456217.db2.gz JJVFVPNJDZNSSL-LLVKDONJSA-N 2 2 335.412 -1.279 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1)C(N)=O ZINC001105372479 785456763 /nfs/dbraw/zinc/45/67/63/785456763.db2.gz JJVFVPNJDZNSSL-NSHDSACASA-N 2 2 335.412 -1.279 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372510 785457473 /nfs/dbraw/zinc/45/74/73/785457473.db2.gz KQHXXQFFYNTMST-LLVKDONJSA-N 2 2 335.412 -1.551 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372510 785457466 /nfs/dbraw/zinc/45/74/66/785457466.db2.gz KQHXXQFFYNTMST-LLVKDONJSA-N 2 2 335.412 -1.551 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372511 785457314 /nfs/dbraw/zinc/45/73/14/785457314.db2.gz KQHXXQFFYNTMST-NSHDSACASA-N 2 2 335.412 -1.551 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372511 785457311 /nfs/dbraw/zinc/45/73/11/785457311.db2.gz KQHXXQFFYNTMST-NSHDSACASA-N 2 2 335.412 -1.551 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372555 785456189 /nfs/dbraw/zinc/45/61/89/785456189.db2.gz MWICNKAXJXECRW-UHFFFAOYSA-N 2 2 335.412 -1.407 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372683 785457381 /nfs/dbraw/zinc/45/73/81/785457381.db2.gz SGMZVYJBQCPKQP-GFCCVEGCSA-N 2 2 349.439 -1.019 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372684 785457222 /nfs/dbraw/zinc/45/72/22/785457222.db2.gz SGMZVYJBQCPKQP-LBPRGKRZSA-N 2 2 349.439 -1.019 20 0 EAADLP CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372744 785456332 /nfs/dbraw/zinc/45/63/32/785456332.db2.gz VTTFDQGUZRYQMM-GFCCVEGCSA-N 2 2 349.439 -1.209 20 0 EAADLP CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372744 785456326 /nfs/dbraw/zinc/45/63/26/785456326.db2.gz VTTFDQGUZRYQMM-GFCCVEGCSA-N 2 2 349.439 -1.209 20 0 EAADLP CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372745 785456241 /nfs/dbraw/zinc/45/62/41/785456241.db2.gz VTTFDQGUZRYQMM-LBPRGKRZSA-N 2 2 349.439 -1.209 20 0 EAADLP CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372745 785456236 /nfs/dbraw/zinc/45/62/36/785456236.db2.gz VTTFDQGUZRYQMM-LBPRGKRZSA-N 2 2 349.439 -1.209 20 0 EAADLP CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372782 785457066 /nfs/dbraw/zinc/45/70/66/785457066.db2.gz XELQAGQPVXNKFD-UHFFFAOYSA-N 2 2 349.439 -1.017 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372791 785457288 /nfs/dbraw/zinc/45/72/88/785457288.db2.gz XLBVLUJBYPEAHS-GHMZBOCLSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372791 785457286 /nfs/dbraw/zinc/45/72/86/785457286.db2.gz XLBVLUJBYPEAHS-GHMZBOCLSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372792 785457585 /nfs/dbraw/zinc/45/75/85/785457585.db2.gz XLBVLUJBYPEAHS-MNOVXSKESA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372792 785457581 /nfs/dbraw/zinc/45/75/81/785457581.db2.gz XLBVLUJBYPEAHS-MNOVXSKESA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372793 785456693 /nfs/dbraw/zinc/45/66/93/785456693.db2.gz XLBVLUJBYPEAHS-QWRGUYRKSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372793 785456681 /nfs/dbraw/zinc/45/66/81/785456681.db2.gz XLBVLUJBYPEAHS-QWRGUYRKSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1)C(N)=O ZINC001105372794 785456086 /nfs/dbraw/zinc/45/60/86/785456086.db2.gz XLBVLUJBYPEAHS-WDEREUQCSA-N 2 2 335.412 -1.424 20 0 EAADLP C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1)C(N)=O ZINC001105372794 785456080 /nfs/dbraw/zinc/45/60/80/785456080.db2.gz XLBVLUJBYPEAHS-WDEREUQCSA-N 2 2 335.412 -1.424 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372795 785457202 /nfs/dbraw/zinc/45/72/02/785457202.db2.gz XLZUBFBUJDBKTO-NEPJUHHUSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372795 785457200 /nfs/dbraw/zinc/45/72/00/785457200.db2.gz XLZUBFBUJDBKTO-NEPJUHHUSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372796 785457551 /nfs/dbraw/zinc/45/75/51/785457551.db2.gz XLZUBFBUJDBKTO-NWDGAFQWSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372796 785457544 /nfs/dbraw/zinc/45/75/44/785457544.db2.gz XLZUBFBUJDBKTO-NWDGAFQWSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372797 785457683 /nfs/dbraw/zinc/45/76/83/785457683.db2.gz XLZUBFBUJDBKTO-RYUDHWBXSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372797 785457663 /nfs/dbraw/zinc/45/76/63/785457663.db2.gz XLZUBFBUJDBKTO-RYUDHWBXSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372798 785456636 /nfs/dbraw/zinc/45/66/36/785456636.db2.gz XLZUBFBUJDBKTO-VXGBXAGGSA-N 2 2 349.439 -1.163 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372798 785456630 /nfs/dbraw/zinc/45/66/30/785456630.db2.gz XLZUBFBUJDBKTO-VXGBXAGGSA-N 2 2 349.439 -1.163 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105375884 785460894 /nfs/dbraw/zinc/46/08/94/785460894.db2.gz SZGIZMOXXXMCTF-AWEZNQCLSA-N 2 2 338.412 -1.536 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105375884 785460891 /nfs/dbraw/zinc/46/08/91/785460891.db2.gz SZGIZMOXXXMCTF-AWEZNQCLSA-N 2 2 338.412 -1.536 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105375885 785460878 /nfs/dbraw/zinc/46/08/78/785460878.db2.gz SZGIZMOXXXMCTF-CQSZACIVSA-N 2 2 338.412 -1.536 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105375885 785460872 /nfs/dbraw/zinc/46/08/72/785460872.db2.gz SZGIZMOXXXMCTF-CQSZACIVSA-N 2 2 338.412 -1.536 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001105377066 785510113 /nfs/dbraw/zinc/51/01/13/785510113.db2.gz PLJMOPTXOKLWCQ-UHFFFAOYSA-N 2 2 337.428 -1.163 20 0 EAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105377066 785510109 /nfs/dbraw/zinc/51/01/09/785510109.db2.gz PLJMOPTXOKLWCQ-UHFFFAOYSA-N 2 2 337.428 -1.163 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105377117 785510624 /nfs/dbraw/zinc/51/06/24/785510624.db2.gz QWAYMNKBRDBSLJ-LLVKDONJSA-N 2 2 337.428 -1.035 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105377117 785510615 /nfs/dbraw/zinc/51/06/15/785510615.db2.gz QWAYMNKBRDBSLJ-LLVKDONJSA-N 2 2 337.428 -1.035 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105377119 785511327 /nfs/dbraw/zinc/51/13/27/785511327.db2.gz QWAYMNKBRDBSLJ-NSHDSACASA-N 2 2 337.428 -1.035 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105377119 785511323 /nfs/dbraw/zinc/51/13/23/785511323.db2.gz QWAYMNKBRDBSLJ-NSHDSACASA-N 2 2 337.428 -1.035 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105377349 785514589 /nfs/dbraw/zinc/51/45/89/785514589.db2.gz YPMZRTRJKGXMCZ-AWEZNQCLSA-N 2 2 349.439 -1.020 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105377349 785514587 /nfs/dbraw/zinc/51/45/87/785514587.db2.gz YPMZRTRJKGXMCZ-AWEZNQCLSA-N 2 2 349.439 -1.020 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105377351 785514472 /nfs/dbraw/zinc/51/44/72/785514472.db2.gz YPMZRTRJKGXMCZ-CQSZACIVSA-N 2 2 349.439 -1.020 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105377351 785514469 /nfs/dbraw/zinc/51/44/69/785514469.db2.gz YPMZRTRJKGXMCZ-CQSZACIVSA-N 2 2 349.439 -1.020 20 0 EAADLP COC[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105382406 785605298 /nfs/dbraw/zinc/60/52/98/785605298.db2.gz HLOPQVUBVWKFKO-AWEZNQCLSA-N 2 2 349.395 -1.345 20 0 EAADLP COC[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105382407 785606223 /nfs/dbraw/zinc/60/62/23/785606223.db2.gz HLOPQVUBVWKFKO-CQSZACIVSA-N 2 2 349.395 -1.345 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105382418 785605850 /nfs/dbraw/zinc/60/58/50/785605850.db2.gz HYWGNQXKKJJILG-UHFFFAOYSA-N 2 2 349.395 -1.343 20 0 EAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106877101 786027494 /nfs/dbraw/zinc/02/74/94/786027494.db2.gz MOCDDZYNIHHLED-GHMZBOCLSA-N 2 2 336.396 -1.158 20 0 EAADLP COC[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202688 786060094 /nfs/dbraw/zinc/06/00/94/786060094.db2.gz RNZRDWNNJSXBKX-AWEZNQCLSA-N 2 2 340.428 -1.290 20 0 EAADLP COC[C@H](O)C[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202689 786059737 /nfs/dbraw/zinc/05/97/37/786059737.db2.gz RNZRDWNNJSXBKX-CQSZACIVSA-N 2 2 340.428 -1.290 20 0 EAADLP C[NH+](C)CCC(=O)NCc1cn(C2C[NH+](CCOCCO)C2)nn1 ZINC001107202882 786059308 /nfs/dbraw/zinc/05/93/08/786059308.db2.gz ZRXZFFOGPQXCKV-UHFFFAOYSA-N 2 2 340.428 -1.288 20 0 EAADLP C[NH+](C)CCOCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107229070 786065824 /nfs/dbraw/zinc/06/58/24/786065824.db2.gz AVRAHUHOUDBSCP-UHFFFAOYSA-N 2 2 340.428 -1.288 20 0 EAADLP COCC[NH+]1CC(n2cc(CNC(=O)COCC[NH+](C)C)nn2)C1 ZINC001107229159 786066837 /nfs/dbraw/zinc/06/68/37/786066837.db2.gz DPDSCYCRPQEXND-UHFFFAOYSA-N 2 2 340.428 -1.024 20 0 EAADLP C[NH+](C)CCOCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107229796 786065751 /nfs/dbraw/zinc/06/57/51/786065751.db2.gz SCHZPZWPBXJSNW-UHFFFAOYSA-N 2 2 326.401 -1.679 20 0 EAADLP C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)COCC[NH+](C)C)nn2)C1 ZINC001107229852 786066315 /nfs/dbraw/zinc/06/63/15/786066315.db2.gz UEXUHUJVHVGUTD-GFCCVEGCSA-N 2 2 340.428 -1.290 20 0 EAADLP C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)COCC[NH+](C)C)nn2)C1 ZINC001107229854 786066988 /nfs/dbraw/zinc/06/69/88/786066988.db2.gz UEXUHUJVHVGUTD-LBPRGKRZSA-N 2 2 340.428 -1.290 20 0 EAADLP C[NH+](C)CCOCC(=O)NC[C@@]1(C)C[N@@H+](CCOCCO)CCO1 ZINC001108342900 786482067 /nfs/dbraw/zinc/48/20/67/786482067.db2.gz KINCUZRNBMOHSL-INIZCTEOSA-N 2 2 347.456 -1.219 20 0 EAADLP C[NH+](C)CCOCC(=O)NC[C@@]1(C)C[N@H+](CCOCCO)CCO1 ZINC001108342900 786482061 /nfs/dbraw/zinc/48/20/61/786482061.db2.gz KINCUZRNBMOHSL-INIZCTEOSA-N 2 2 347.456 -1.219 20 0 EAADLP C[NH+](C)CCOCC(=O)NC[C@]1(C)C[N@@H+](CCOCCO)CCO1 ZINC001108342901 786481199 /nfs/dbraw/zinc/48/11/99/786481199.db2.gz KINCUZRNBMOHSL-MRXNPFEDSA-N 2 2 347.456 -1.219 20 0 EAADLP C[NH+](C)CCOCC(=O)NC[C@]1(C)C[N@H+](CCOCCO)CCO1 ZINC001108342901 786481195 /nfs/dbraw/zinc/48/11/95/786481195.db2.gz KINCUZRNBMOHSL-MRXNPFEDSA-N 2 2 347.456 -1.219 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108552529 786543054 /nfs/dbraw/zinc/54/30/54/786543054.db2.gz OAJKPGFMWMMWDM-DOMZBBRYSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108552530 786543624 /nfs/dbraw/zinc/54/36/24/786543624.db2.gz OAJKPGFMWMMWDM-WFASDCNBSA-N 2 2 326.441 -1.034 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCn3cncn3)C2)C1 ZINC001108569708 786551898 /nfs/dbraw/zinc/55/18/98/786551898.db2.gz OAMBWGHFKCICMQ-CYBMUJFWSA-N 2 2 349.439 -1.369 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCn3cncn3)C2)C1 ZINC001108569709 786552273 /nfs/dbraw/zinc/55/22/73/786552273.db2.gz OAMBWGHFKCICMQ-ZDUSSCGKSA-N 2 2 349.439 -1.369 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1 ZINC001108569879 786552235 /nfs/dbraw/zinc/55/22/35/786552235.db2.gz QWACCXYWHHTDLO-CYBMUJFWSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1 ZINC001108569880 786551831 /nfs/dbraw/zinc/55/18/31/786551831.db2.gz QWACCXYWHHTDLO-ZDUSSCGKSA-N 2 2 342.440 -1.652 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108572179 786556241 /nfs/dbraw/zinc/55/62/41/786556241.db2.gz OAJKPGFMWMMWDM-IUODEOHRSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108572180 786556540 /nfs/dbraw/zinc/55/65/40/786556540.db2.gz OAJKPGFMWMMWDM-SWLSCSKDSA-N 2 2 326.441 -1.034 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108584321 786560694 /nfs/dbraw/zinc/56/06/94/786560694.db2.gz FMGIZCZRGXZTEZ-GFCCVEGCSA-N 2 2 328.413 -2.042 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108584322 786560612 /nfs/dbraw/zinc/56/06/12/786560612.db2.gz FMGIZCZRGXZTEZ-LBPRGKRZSA-N 2 2 328.413 -2.042 20 0 EAADLP COCC[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108584341 786560826 /nfs/dbraw/zinc/56/08/26/786560826.db2.gz FSNUZPJIKKCLPE-CYBMUJFWSA-N 2 2 342.440 -1.388 20 0 EAADLP COCC[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108584342 786560743 /nfs/dbraw/zinc/56/07/43/786560743.db2.gz FSNUZPJIKKCLPE-ZDUSSCGKSA-N 2 2 342.440 -1.388 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109977369 786623975 /nfs/dbraw/zinc/62/39/75/786623975.db2.gz GLZBPYWCHVFIFE-WOPDTQHZSA-N 2 2 341.412 -1.519 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109977369 786623967 /nfs/dbraw/zinc/62/39/67/786623967.db2.gz GLZBPYWCHVFIFE-WOPDTQHZSA-N 2 2 341.412 -1.519 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981594 786624176 /nfs/dbraw/zinc/62/41/76/786624176.db2.gz VUUVVTBFZHRMRQ-WOPDTQHZSA-N 2 2 335.408 -1.001 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981594 786624171 /nfs/dbraw/zinc/62/41/71/786624171.db2.gz VUUVVTBFZHRMRQ-WOPDTQHZSA-N 2 2 335.408 -1.001 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111277210 791636995 /nfs/dbraw/zinc/63/69/95/791636995.db2.gz GLZBPYWCHVFIFE-UTUOFQBUSA-N 2 2 341.412 -1.519 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111277210 791636991 /nfs/dbraw/zinc/63/69/91/791636991.db2.gz GLZBPYWCHVFIFE-UTUOFQBUSA-N 2 2 341.412 -1.519 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281513 791636905 /nfs/dbraw/zinc/63/69/05/791636905.db2.gz VUUVVTBFZHRMRQ-UTUOFQBUSA-N 2 2 335.408 -1.001 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281513 791636899 /nfs/dbraw/zinc/63/68/99/791636899.db2.gz VUUVVTBFZHRMRQ-UTUOFQBUSA-N 2 2 335.408 -1.001 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[NH+](C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001113301005 786732656 /nfs/dbraw/zinc/73/26/56/786732656.db2.gz HPTYVGBWZZLYCX-CYBMUJFWSA-N 2 2 340.424 -1.408 20 0 EAADLP C[NH+](C)CCC(=O)N1CC[NH+](C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001113301008 786732288 /nfs/dbraw/zinc/73/22/88/786732288.db2.gz HPTYVGBWZZLYCX-ZDUSSCGKSA-N 2 2 340.424 -1.408 20 0 EAADLP CC(=O)NCCOCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545490 786754688 /nfs/dbraw/zinc/75/46/88/786754688.db2.gz RMYIGMSCTBEQKH-UHFFFAOYSA-N 2 2 344.456 -1.139 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001113545607 786754589 /nfs/dbraw/zinc/75/45/89/786754589.db2.gz YFZBLYASMOLVJG-UHFFFAOYSA-N 2 2 327.429 -1.266 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808558 /nfs/dbraw/zinc/80/85/58/786808558.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 2 346.453 -2.087 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808553 /nfs/dbraw/zinc/80/85/53/786808553.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 2 346.453 -2.087 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808541 /nfs/dbraw/zinc/80/85/41/786808541.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 2 346.453 -2.087 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808539 /nfs/dbraw/zinc/80/85/39/786808539.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 2 346.453 -2.087 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090535 786808355 /nfs/dbraw/zinc/80/83/55/786808355.db2.gz GCFXUQDZMWKZML-XQHKEYJVSA-N 2 2 346.453 -2.087 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090535 786808345 /nfs/dbraw/zinc/80/83/45/786808345.db2.gz GCFXUQDZMWKZML-XQHKEYJVSA-N 2 2 346.453 -2.087 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090535 786808337 /nfs/dbraw/zinc/80/83/37/786808337.db2.gz GCFXUQDZMWKZML-XQHKEYJVSA-N 2 2 346.453 -2.087 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090535 786808329 /nfs/dbraw/zinc/80/83/29/786808329.db2.gz GCFXUQDZMWKZML-XQHKEYJVSA-N 2 2 346.453 -2.087 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091133 786807431 /nfs/dbraw/zinc/80/74/31/786807431.db2.gz RBZRWYKSDMTJMU-BARDWOONSA-N 2 2 336.436 -1.110 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091133 786807422 /nfs/dbraw/zinc/80/74/22/786807422.db2.gz RBZRWYKSDMTJMU-BARDWOONSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091133 786807415 /nfs/dbraw/zinc/80/74/15/786807415.db2.gz RBZRWYKSDMTJMU-BARDWOONSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091133 786807406 /nfs/dbraw/zinc/80/74/06/786807406.db2.gz RBZRWYKSDMTJMU-BARDWOONSA-N 2 2 336.436 -1.110 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091135 786808400 /nfs/dbraw/zinc/80/84/00/786808400.db2.gz RBZRWYKSDMTJMU-LJISPDSOSA-N 2 2 336.436 -1.110 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091135 786808399 /nfs/dbraw/zinc/80/83/99/786808399.db2.gz RBZRWYKSDMTJMU-LJISPDSOSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091135 786808393 /nfs/dbraw/zinc/80/83/93/786808393.db2.gz RBZRWYKSDMTJMU-LJISPDSOSA-N 2 2 336.436 -1.110 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114091135 786808385 /nfs/dbraw/zinc/80/83/85/786808385.db2.gz RBZRWYKSDMTJMU-LJISPDSOSA-N 2 2 336.436 -1.110 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114206684 786824759 /nfs/dbraw/zinc/82/47/59/786824759.db2.gz OIVKEHBAADVLKZ-HBYGRHMLSA-N 2 2 346.391 -1.060 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114206684 786824749 /nfs/dbraw/zinc/82/47/49/786824749.db2.gz OIVKEHBAADVLKZ-HBYGRHMLSA-N 2 2 346.391 -1.060 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207567 786825013 /nfs/dbraw/zinc/82/50/13/786825013.db2.gz XAPFHMLGUZRBJA-YABSGUDNSA-N 2 2 341.437 -1.062 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207567 786825003 /nfs/dbraw/zinc/82/50/03/786825003.db2.gz XAPFHMLGUZRBJA-YABSGUDNSA-N 2 2 341.437 -1.062 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215190 786825978 /nfs/dbraw/zinc/82/59/78/786825978.db2.gz RNNFDYWMCWKXHB-DNJQJEMRSA-N 2 2 334.380 -1.028 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215190 786825968 /nfs/dbraw/zinc/82/59/68/786825968.db2.gz RNNFDYWMCWKXHB-DNJQJEMRSA-N 2 2 334.380 -1.028 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215192 786826231 /nfs/dbraw/zinc/82/62/31/786826231.db2.gz RNNFDYWMCWKXHB-QISWUMQESA-N 2 2 334.380 -1.028 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215192 786826220 /nfs/dbraw/zinc/82/62/20/786826220.db2.gz RNNFDYWMCWKXHB-QISWUMQESA-N 2 2 334.380 -1.028 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405044 791434214 /nfs/dbraw/zinc/43/42/14/791434214.db2.gz MGQZYZFKFYATSQ-CTASWTNQSA-N 2 2 348.451 -1.052 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405044 791434209 /nfs/dbraw/zinc/43/42/09/791434209.db2.gz MGQZYZFKFYATSQ-CTASWTNQSA-N 2 2 348.451 -1.052 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405045 791433712 /nfs/dbraw/zinc/43/37/12/791433712.db2.gz MGQZYZFKFYATSQ-KNCOVGOOSA-N 2 2 348.451 -1.052 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405045 791433699 /nfs/dbraw/zinc/43/36/99/791433699.db2.gz MGQZYZFKFYATSQ-KNCOVGOOSA-N 2 2 348.451 -1.052 20 0 EAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405064 791434622 /nfs/dbraw/zinc/43/46/22/791434622.db2.gz MNYZAUAILHOOMG-CTASWTNQSA-N 2 2 348.451 -1.004 20 0 EAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405064 791434615 /nfs/dbraw/zinc/43/46/15/791434615.db2.gz MNYZAUAILHOOMG-CTASWTNQSA-N 2 2 348.451 -1.004 20 0 EAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405065 791434346 /nfs/dbraw/zinc/43/43/46/791434346.db2.gz MNYZAUAILHOOMG-KNCOVGOOSA-N 2 2 348.451 -1.004 20 0 EAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405065 791434341 /nfs/dbraw/zinc/43/43/41/791434341.db2.gz MNYZAUAILHOOMG-KNCOVGOOSA-N 2 2 348.451 -1.004 20 0 EAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405556 791433769 /nfs/dbraw/zinc/43/37/69/791433769.db2.gz VECDEIWSXJZPMN-COMQUAJESA-N 2 2 334.424 -1.394 20 0 EAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405556 791433766 /nfs/dbraw/zinc/43/37/66/791433766.db2.gz VECDEIWSXJZPMN-COMQUAJESA-N 2 2 334.424 -1.394 20 0 EAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405558 791434384 /nfs/dbraw/zinc/43/43/84/791434384.db2.gz VECDEIWSXJZPMN-SFDCQRBFSA-N 2 2 334.424 -1.394 20 0 EAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405558 791434382 /nfs/dbraw/zinc/43/43/82/791434382.db2.gz VECDEIWSXJZPMN-SFDCQRBFSA-N 2 2 334.424 -1.394 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C2CC2)[NH+](C)C)nc1=O ZINC001114410666 791433590 /nfs/dbraw/zinc/43/35/90/791433590.db2.gz XZJUEULXXBXWMO-UNJBNNCHSA-N 2 2 334.424 -1.005 20 0 EAADLP Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C2CC2)[NH+](C)C)nc1=O ZINC001114410666 791433586 /nfs/dbraw/zinc/43/35/86/791433586.db2.gz XZJUEULXXBXWMO-UNJBNNCHSA-N 2 2 334.424 -1.005 20 0 EAADLP Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C2CC2)[NH+](C)C)nc1=O ZINC001114410667 791434735 /nfs/dbraw/zinc/43/47/35/791434735.db2.gz XZJUEULXXBXWMO-UVLXDEKHSA-N 2 2 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CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269568 792643228 /nfs/dbraw/zinc/64/32/28/792643228.db2.gz JFYOAIIWKZEKHG-SRRSOLGSSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269568 792643224 /nfs/dbraw/zinc/64/32/24/792643224.db2.gz JFYOAIIWKZEKHG-SRRSOLGSSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269568 792643219 /nfs/dbraw/zinc/64/32/19/792643219.db2.gz JFYOAIIWKZEKHG-SRRSOLGSSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269568 792643212 /nfs/dbraw/zinc/64/32/12/792643212.db2.gz JFYOAIIWKZEKHG-SRRSOLGSSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269569 792643321 /nfs/dbraw/zinc/64/33/21/792643321.db2.gz JFYOAIIWKZEKHG-XZUYRWCXSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269569 792643315 /nfs/dbraw/zinc/64/33/15/792643315.db2.gz JFYOAIIWKZEKHG-XZUYRWCXSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269569 792643309 /nfs/dbraw/zinc/64/33/09/792643309.db2.gz JFYOAIIWKZEKHG-XZUYRWCXSA-N 2 2 339.396 -2.052 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115269569 792643306 /nfs/dbraw/zinc/64/33/06/792643306.db2.gz JFYOAIIWKZEKHG-XZUYRWCXSA-N 2 2 339.396 -2.052 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341662 786610960 /nfs/dbraw/zinc/61/09/60/786610960.db2.gz IMYZKHZIPPGMIK-PJXYFTJBSA-N 2 2 327.410 -1.521 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341662 786610953 /nfs/dbraw/zinc/61/09/53/786610953.db2.gz IMYZKHZIPPGMIK-PJXYFTJBSA-N 2 2 327.410 -1.521 20 0 EAADLP CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342129 792650664 /nfs/dbraw/zinc/65/06/64/792650664.db2.gz RIPKYIVEMCLRQT-IMRBUKKESA-N 2 2 341.437 -1.131 20 0 EAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342129 792650656 /nfs/dbraw/zinc/65/06/56/792650656.db2.gz RIPKYIVEMCLRQT-IMRBUKKESA-N 2 2 341.437 -1.131 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342140 792650697 /nfs/dbraw/zinc/65/06/97/792650697.db2.gz RQHZRAHQCYXELZ-DCQANWLSSA-N 2 2 334.380 -1.226 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342140 792650692 /nfs/dbraw/zinc/65/06/92/792650692.db2.gz RQHZRAHQCYXELZ-DCQANWLSSA-N 2 2 334.380 -1.226 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342142 792650493 /nfs/dbraw/zinc/65/04/93/792650493.db2.gz RQHZRAHQCYXELZ-MEWQQHAOSA-N 2 2 334.380 -1.226 20 0 EAADLP 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ZINC001118867479 792771291 /nfs/dbraw/zinc/77/12/91/792771291.db2.gz LRGDQYJVNPNEFL-CQSZACIVSA-N 2 2 341.456 -1.767 20 0 EAADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118871775 792772469 /nfs/dbraw/zinc/77/24/69/792772469.db2.gz KCOXORXRCICJMX-AWEZNQCLSA-N 2 2 341.456 -1.813 20 0 EAADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118871775 792772464 /nfs/dbraw/zinc/77/24/64/792772464.db2.gz KCOXORXRCICJMX-AWEZNQCLSA-N 2 2 341.456 -1.813 20 0 EAADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118871785 792772527 /nfs/dbraw/zinc/77/25/27/792772527.db2.gz KCOXORXRCICJMX-CQSZACIVSA-N 2 2 341.456 -1.813 20 0 EAADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118871785 792772519 /nfs/dbraw/zinc/77/25/19/792772519.db2.gz KCOXORXRCICJMX-CQSZACIVSA-N 2 2 341.456 -1.813 20 0 EAADLP CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001118903977 792777273 /nfs/dbraw/zinc/77/72/73/792777273.db2.gz BTFCPRVRTXPLFH-CYBMUJFWSA-N 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ZINC001119037871 792784751 /nfs/dbraw/zinc/78/47/51/792784751.db2.gz ZHTMYGKGZDSZOT-ZFWWWQNUSA-N 2 2 335.452 -1.203 20 0 EAADLP CCN(C(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC001119618525 792794500 /nfs/dbraw/zinc/79/45/00/792794500.db2.gz MYYGJXUUKXTVKB-KBPBESRZSA-N 2 2 346.497 -1.095 20 0 EAADLP CCN(C(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC001119618526 792794761 /nfs/dbraw/zinc/79/47/61/792794761.db2.gz MYYGJXUUKXTVKB-KGLIPLIRSA-N 2 2 346.497 -1.095 20 0 EAADLP CCN(C(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001119618527 792794075 /nfs/dbraw/zinc/79/40/75/792794075.db2.gz MYYGJXUUKXTVKB-UONOGXRCSA-N 2 2 346.497 -1.095 20 0 EAADLP CCN(C(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001119618528 792794224 /nfs/dbraw/zinc/79/42/24/792794224.db2.gz MYYGJXUUKXTVKB-ZIAGYGMSSA-N 2 2 346.497 -1.095 20 0 EAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001119636580 792795661 /nfs/dbraw/zinc/79/56/61/792795661.db2.gz SFWFIIBLUZVZMF-CQSZACIVSA-N 2 2 325.457 -1.194 20 0 EAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C ZINC001119636580 792795656 /nfs/dbraw/zinc/79/56/56/792795656.db2.gz SFWFIIBLUZVZMF-CQSZACIVSA-N 2 2 325.457 -1.194 20 0 EAADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120417612 792810326 /nfs/dbraw/zinc/81/03/26/792810326.db2.gz CVWLJJZCYCSCSB-CYBMUJFWSA-N 2 2 336.440 -1.035 20 0 EAADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120417613 792810883 /nfs/dbraw/zinc/81/08/83/792810883.db2.gz CVWLJJZCYCSCSB-ZDUSSCGKSA-N 2 2 336.440 -1.035 20 0 EAADLP O=C(NCC[NH2+]CCNC(=O)[C@H]1CSC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC001122453355 792914337 /nfs/dbraw/zinc/91/43/37/792914337.db2.gz ZSIHYASTRVYWPP-AOOOYVTPSA-N 3 2 333.483 -1.867 20 0 EAADLP O=C(NCC[NH2+]CCNC(=O)[C@H]1CSC[NH2+]1)[C@H]1CSCN1 ZINC001122453358 792915011 /nfs/dbraw/zinc/91/50/11/792915011.db2.gz ZSIHYASTRVYWPP-NXEZZACHSA-N 2 2 333.483 -1.867 20 0 EAADLP O=C(NCC[NH2+]CCNC(=O)[C@H]1CSC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC001122453358 792915006 /nfs/dbraw/zinc/91/50/06/792915006.db2.gz ZSIHYASTRVYWPP-NXEZZACHSA-N 3 2 333.483 -1.867 20 0 EAADLP O=C(NCC[NH2+]CCNC(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CSCN1 ZINC001122453359 792914517 /nfs/dbraw/zinc/91/45/17/792914517.db2.gz ZSIHYASTRVYWPP-UWVGGRQHSA-N 2 2 333.483 -1.867 20 0 EAADLP O=C(NCC[NH2+]CCNC(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC001122453359 792914515 /nfs/dbraw/zinc/91/45/15/792914515.db2.gz ZSIHYASTRVYWPP-UWVGGRQHSA-N 3 2 333.483 -1.867 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)n(C)n1 ZINC001125203950 793025563 /nfs/dbraw/zinc/02/55/63/793025563.db2.gz VVYKAMRKMZIGIG-GFCCVEGCSA-N 2 2 338.412 -1.297 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)n(C)n1 ZINC001125203950 793025559 /nfs/dbraw/zinc/02/55/59/793025559.db2.gz VVYKAMRKMZIGIG-GFCCVEGCSA-N 2 2 338.412 -1.297 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n(C)n1 ZINC001125203951 793026143 /nfs/dbraw/zinc/02/61/43/793026143.db2.gz VVYKAMRKMZIGIG-LBPRGKRZSA-N 2 2 338.412 -1.297 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)n(C)n1 ZINC001125203951 793026134 /nfs/dbraw/zinc/02/61/34/793026134.db2.gz VVYKAMRKMZIGIG-LBPRGKRZSA-N 2 2 338.412 -1.297 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125209298 793028176 /nfs/dbraw/zinc/02/81/76/793028176.db2.gz QULLPYLPABVSQH-NEPJUHHUSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125209298 793028166 /nfs/dbraw/zinc/02/81/66/793028166.db2.gz QULLPYLPABVSQH-NEPJUHHUSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125209299 793028722 /nfs/dbraw/zinc/02/87/22/793028722.db2.gz QULLPYLPABVSQH-NWDGAFQWSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125209299 793028713 /nfs/dbraw/zinc/02/87/13/793028713.db2.gz QULLPYLPABVSQH-NWDGAFQWSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125209300 793027271 /nfs/dbraw/zinc/02/72/71/793027271.db2.gz QULLPYLPABVSQH-RYUDHWBXSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125209300 793027260 /nfs/dbraw/zinc/02/72/60/793027260.db2.gz QULLPYLPABVSQH-RYUDHWBXSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125209301 793028094 /nfs/dbraw/zinc/02/80/94/793028094.db2.gz QULLPYLPABVSQH-VXGBXAGGSA-N 2 2 343.428 -2.384 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125209301 793028082 /nfs/dbraw/zinc/02/80/82/793028082.db2.gz QULLPYLPABVSQH-VXGBXAGGSA-N 2 2 343.428 -2.384 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001125213199 793027760 /nfs/dbraw/zinc/02/77/60/793027760.db2.gz CNRSRXNNIFWFJO-LLVKDONJSA-N 2 2 325.369 -1.042 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001125213199 793027750 /nfs/dbraw/zinc/02/77/50/793027750.db2.gz CNRSRXNNIFWFJO-LLVKDONJSA-N 2 2 325.369 -1.042 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001125213200 793028415 /nfs/dbraw/zinc/02/84/15/793028415.db2.gz CNRSRXNNIFWFJO-NSHDSACASA-N 2 2 325.369 -1.042 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001125213200 793028403 /nfs/dbraw/zinc/02/84/03/793028403.db2.gz CNRSRXNNIFWFJO-NSHDSACASA-N 2 2 325.369 -1.042 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220377 786044196 /nfs/dbraw/zinc/04/41/96/786044196.db2.gz HKTKBXIGJOHWIP-NEPJUHHUSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220377 786044194 /nfs/dbraw/zinc/04/41/94/786044194.db2.gz HKTKBXIGJOHWIP-NEPJUHHUSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220379 786044020 /nfs/dbraw/zinc/04/40/20/786044020.db2.gz HKTKBXIGJOHWIP-NWDGAFQWSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220379 786044018 /nfs/dbraw/zinc/04/40/18/786044018.db2.gz HKTKBXIGJOHWIP-NWDGAFQWSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220381 786044252 /nfs/dbraw/zinc/04/42/52/786044252.db2.gz HKTKBXIGJOHWIP-RYUDHWBXSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220381 786044250 /nfs/dbraw/zinc/04/42/50/786044250.db2.gz HKTKBXIGJOHWIP-RYUDHWBXSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220383 786043996 /nfs/dbraw/zinc/04/39/96/786043996.db2.gz HKTKBXIGJOHWIP-VXGBXAGGSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ncccn1 ZINC001125220383 786043993 /nfs/dbraw/zinc/04/39/93/786043993.db2.gz HKTKBXIGJOHWIP-VXGBXAGGSA-N 2 2 336.396 -1.160 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001125220495 786044438 /nfs/dbraw/zinc/04/44/38/786044438.db2.gz IHNYGVCXIQFIRB-SECBINFHSA-N 2 2 328.398 -1.487 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001125220495 786044435 /nfs/dbraw/zinc/04/44/35/786044435.db2.gz IHNYGVCXIQFIRB-SECBINFHSA-N 2 2 328.398 -1.487 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001125220500 786044236 /nfs/dbraw/zinc/04/42/36/786044236.db2.gz IHNYGVCXIQFIRB-VIFPVBQESA-N 2 2 328.398 -1.487 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001125220500 786044233 /nfs/dbraw/zinc/04/42/33/786044233.db2.gz IHNYGVCXIQFIRB-VIFPVBQESA-N 2 2 328.398 -1.487 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001125221233 786044097 /nfs/dbraw/zinc/04/40/97/786044097.db2.gz OMDMTBQDHOIIOY-LLVKDONJSA-N 2 2 327.385 -3.019 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001125221233 786044095 /nfs/dbraw/zinc/04/40/95/786044095.db2.gz OMDMTBQDHOIIOY-LLVKDONJSA-N 2 2 327.385 -3.019 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001125221236 786044483 /nfs/dbraw/zinc/04/44/83/786044483.db2.gz OMDMTBQDHOIIOY-NSHDSACASA-N 2 2 327.385 -3.019 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001125221236 786044481 /nfs/dbraw/zinc/04/44/81/786044481.db2.gz OMDMTBQDHOIIOY-NSHDSACASA-N 2 2 327.385 -3.019 20 0 EAADLP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001125222701 786044075 /nfs/dbraw/zinc/04/40/75/786044075.db2.gz XDCPRISVJHPSNI-JTQLQIEISA-N 2 2 342.425 -1.179 20 0 EAADLP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001125222701 786044073 /nfs/dbraw/zinc/04/40/73/786044073.db2.gz XDCPRISVJHPSNI-JTQLQIEISA-N 2 2 342.425 -1.179 20 0 EAADLP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001125222706 786043967 /nfs/dbraw/zinc/04/39/67/786043967.db2.gz XDCPRISVJHPSNI-SNVBAGLBSA-N 2 2 342.425 -1.179 20 0 EAADLP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001125222706 786043963 /nfs/dbraw/zinc/04/39/63/786043963.db2.gz XDCPRISVJHPSNI-SNVBAGLBSA-N 2 2 342.425 -1.179 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC001125222870 786043883 /nfs/dbraw/zinc/04/38/83/786043883.db2.gz XVKFJJWRHMCIHZ-LLVKDONJSA-N 2 2 325.369 -1.042 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC001125222870 786043880 /nfs/dbraw/zinc/04/38/80/786043880.db2.gz XVKFJJWRHMCIHZ-LLVKDONJSA-N 2 2 325.369 -1.042 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC001125222872 786044741 /nfs/dbraw/zinc/04/47/41/786044741.db2.gz XVKFJJWRHMCIHZ-NSHDSACASA-N 2 2 325.369 -1.042 20 0 EAADLP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC001125222872 786044738 /nfs/dbraw/zinc/04/47/38/786044738.db2.gz XVKFJJWRHMCIHZ-NSHDSACASA-N 2 2 325.369 -1.042 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126447231 785575815 /nfs/dbraw/zinc/57/58/15/785575815.db2.gz BCUMDIJXOIXYCS-LLVKDONJSA-N 2 2 337.380 -1.442 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126447234 785575508 /nfs/dbraw/zinc/57/55/08/785575508.db2.gz BCUMDIJXOIXYCS-NSHDSACASA-N 2 2 337.380 -1.442 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001126452547 785580625 /nfs/dbraw/zinc/58/06/25/785580625.db2.gz DGKXSJKCKDDKSY-LLVKDONJSA-N 2 2 338.412 -1.359 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001126452549 785579989 /nfs/dbraw/zinc/57/99/89/785579989.db2.gz DGKXSJKCKDDKSY-NSHDSACASA-N 2 2 338.412 -1.359 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)nc1=O ZINC001127576645 786034518 /nfs/dbraw/zinc/03/45/18/786034518.db2.gz VBJREVVQJVTNKA-UHFFFAOYSA-N 2 2 336.400 -1.614 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127643645 786036725 /nfs/dbraw/zinc/03/67/25/786036725.db2.gz FFGFBYBFAOTOAT-GHMZBOCLSA-N 2 2 338.412 -1.096 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127643645 786036721 /nfs/dbraw/zinc/03/67/21/786036721.db2.gz FFGFBYBFAOTOAT-GHMZBOCLSA-N 2 2 338.412 -1.096 20 0 EAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]n1 ZINC001127771978 786073173 /nfs/dbraw/zinc/07/31/73/786073173.db2.gz BEUODZWLRFNFGG-LLVKDONJSA-N 2 2 337.384 -1.309 20 0 EAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]n1 ZINC001127771978 786073164 /nfs/dbraw/zinc/07/31/64/786073164.db2.gz BEUODZWLRFNFGG-LLVKDONJSA-N 2 2 337.384 -1.309 20 0 EAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]n1 ZINC001127771980 786072449 /nfs/dbraw/zinc/07/24/49/786072449.db2.gz BEUODZWLRFNFGG-NSHDSACASA-N 2 2 337.384 -1.309 20 0 EAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]n1 ZINC001127771980 786072447 /nfs/dbraw/zinc/07/24/47/786072447.db2.gz BEUODZWLRFNFGG-NSHDSACASA-N 2 2 337.384 -1.309 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127784886 786074417 /nfs/dbraw/zinc/07/44/17/786074417.db2.gz CHUPOLPMMITFSO-UHFFFAOYSA-N 2 2 336.396 -1.077 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001128972660 786241202 /nfs/dbraw/zinc/24/12/02/786241202.db2.gz GTVJYRCBDSQOIU-GFCCVEGCSA-N 2 2 337.380 -1.442 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001128972660 786241198 /nfs/dbraw/zinc/24/11/98/786241198.db2.gz GTVJYRCBDSQOIU-GFCCVEGCSA-N 2 2 337.380 -1.442 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001128972661 786241055 /nfs/dbraw/zinc/24/10/55/786241055.db2.gz GTVJYRCBDSQOIU-LBPRGKRZSA-N 2 2 337.380 -1.442 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001128972661 786241051 /nfs/dbraw/zinc/24/10/51/786241051.db2.gz GTVJYRCBDSQOIU-LBPRGKRZSA-N 2 2 337.380 -1.442 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)n(C)c1=O ZINC001128991756 786251080 /nfs/dbraw/zinc/25/10/80/786251080.db2.gz FFMZBPZRSFVWRQ-UHFFFAOYSA-N 2 2 334.380 -1.354 20 0 EAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001129219675 786260860 /nfs/dbraw/zinc/26/08/60/786260860.db2.gz JDGGUKWREVCUMI-MCIONIFRSA-N 2 2 349.439 -1.198 20 0 EAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001129219675 786260856 /nfs/dbraw/zinc/26/08/56/786260856.db2.gz JDGGUKWREVCUMI-MCIONIFRSA-N 2 2 349.439 -1.198 20 0 EAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001129219677 786261156 /nfs/dbraw/zinc/26/11/56/786261156.db2.gz JDGGUKWREVCUMI-RDBSUJKOSA-N 2 2 349.439 -1.198 20 0 EAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001129219677 786261151 /nfs/dbraw/zinc/26/11/51/786261151.db2.gz JDGGUKWREVCUMI-RDBSUJKOSA-N 2 2 349.439 -1.198 20 0 EAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220173 786260831 /nfs/dbraw/zinc/26/08/31/786260831.db2.gz QPFSZLPZPBZQAO-AGIUHOORSA-N 2 2 337.428 -1.165 20 0 EAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220173 786260827 /nfs/dbraw/zinc/26/08/27/786260827.db2.gz QPFSZLPZPBZQAO-AGIUHOORSA-N 2 2 337.428 -1.165 20 0 EAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220176 786261220 /nfs/dbraw/zinc/26/12/20/786261220.db2.gz QPFSZLPZPBZQAO-UPJWGTAASA-N 2 2 337.428 -1.165 20 0 EAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220176 786261218 /nfs/dbraw/zinc/26/12/18/786261218.db2.gz QPFSZLPZPBZQAO-UPJWGTAASA-N 2 2 337.428 -1.165 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001129223769 786262643 /nfs/dbraw/zinc/26/26/43/786262643.db2.gz KLWJSJRWYYJBFU-KGLIPLIRSA-N 2 2 349.439 -1.196 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1n1ccnn1 ZINC001129223769 786262638 /nfs/dbraw/zinc/26/26/38/786262638.db2.gz KLWJSJRWYYJBFU-KGLIPLIRSA-N 2 2 349.439 -1.196 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228141 786262441 /nfs/dbraw/zinc/26/24/41/786262441.db2.gz FPCQWNNJYNFXIW-OLZOCXBDSA-N 2 2 337.428 -1.341 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228141 786262438 /nfs/dbraw/zinc/26/24/38/786262438.db2.gz FPCQWNNJYNFXIW-OLZOCXBDSA-N 2 2 337.428 -1.341 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129228231 786262277 /nfs/dbraw/zinc/26/22/77/786262277.db2.gz JKJAYQVZEBHBLA-MCIONIFRSA-N 2 2 349.439 -1.150 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129228231 786262273 /nfs/dbraw/zinc/26/22/73/786262273.db2.gz JKJAYQVZEBHBLA-MCIONIFRSA-N 2 2 349.439 -1.150 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129228232 786262711 /nfs/dbraw/zinc/26/27/11/786262711.db2.gz JKJAYQVZEBHBLA-RDBSUJKOSA-N 2 2 349.439 -1.150 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129228232 786262706 /nfs/dbraw/zinc/26/27/06/786262706.db2.gz JKJAYQVZEBHBLA-RDBSUJKOSA-N 2 2 349.439 -1.150 20 0 EAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228434 786262525 /nfs/dbraw/zinc/26/25/25/786262525.db2.gz SBUIYDQRTTUNJL-UPJWGTAASA-N 2 2 337.428 -1.294 20 0 EAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228434 786262521 /nfs/dbraw/zinc/26/25/21/786262521.db2.gz SBUIYDQRTTUNJL-UPJWGTAASA-N 2 2 337.428 -1.294 20 0 EAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228435 786261987 /nfs/dbraw/zinc/26/19/87/786261987.db2.gz SBUIYDQRTTUNJL-XQQFMLRXSA-N 2 2 337.428 -1.294 20 0 EAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228435 786261985 /nfs/dbraw/zinc/26/19/85/786261985.db2.gz SBUIYDQRTTUNJL-XQQFMLRXSA-N 2 2 337.428 -1.294 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129320892 786440013 /nfs/dbraw/zinc/44/00/13/786440013.db2.gz DHFFQBZICGGLIC-KGLIPLIRSA-N 2 2 338.412 -1.666 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129320892 786440012 /nfs/dbraw/zinc/44/00/12/786440012.db2.gz DHFFQBZICGGLIC-KGLIPLIRSA-N 2 2 338.412 -1.666 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)c1nnnn1C ZINC001129385342 786594638 /nfs/dbraw/zinc/59/46/38/786594638.db2.gz DLCLSHAZXZCTJA-NEPJUHHUSA-N 2 2 335.416 -1.196 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)c1nnnn1C ZINC001129385361 786595532 /nfs/dbraw/zinc/59/55/32/786595532.db2.gz DLCLSHAZXZCTJA-NWDGAFQWSA-N 2 2 335.416 -1.196 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)c1nnnn1C ZINC001129385362 786595302 /nfs/dbraw/zinc/59/53/02/786595302.db2.gz DLCLSHAZXZCTJA-RYUDHWBXSA-N 2 2 335.416 -1.196 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)c1nnnn1C ZINC001129385363 786595648 /nfs/dbraw/zinc/59/56/48/786595648.db2.gz DLCLSHAZXZCTJA-VXGBXAGGSA-N 2 2 335.416 -1.196 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)nc1=O ZINC001129385947 786594761 /nfs/dbraw/zinc/59/47/61/786594761.db2.gz HDOKQZIODACLEV-LLVKDONJSA-N 2 2 336.400 -1.859 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)nc1=O ZINC001129385948 786595072 /nfs/dbraw/zinc/59/50/72/786595072.db2.gz HDOKQZIODACLEV-NSHDSACASA-N 2 2 336.400 -1.859 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129412828 786840596 /nfs/dbraw/zinc/84/05/96/786840596.db2.gz YYAGRTBTACRWEM-KGLIPLIRSA-N 2 2 333.396 -1.022 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129412828 786840586 /nfs/dbraw/zinc/84/05/86/786840586.db2.gz YYAGRTBTACRWEM-KGLIPLIRSA-N 2 2 333.396 -1.022 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129442800 786843040 /nfs/dbraw/zinc/84/30/40/786843040.db2.gz GKZWGTPCCDABOK-AWEZNQCLSA-N 2 2 338.412 -1.096 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129442996 786842524 /nfs/dbraw/zinc/84/25/24/786842524.db2.gz GKZWGTPCCDABOK-CQSZACIVSA-N 2 2 338.412 -1.096 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129490637 786845570 /nfs/dbraw/zinc/84/55/70/786845570.db2.gz HGIFJXAPRNMTFY-KGLIPLIRSA-N 2 2 349.395 -1.475 20 0 EAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129490637 786845561 /nfs/dbraw/zinc/84/55/61/786845561.db2.gz HGIFJXAPRNMTFY-KGLIPLIRSA-N 2 2 349.395 -1.475 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490761 786845835 /nfs/dbraw/zinc/84/58/35/786845835.db2.gz MRGIGPRALKXFAL-MCIONIFRSA-N 2 2 349.395 -1.476 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490761 786845821 /nfs/dbraw/zinc/84/58/21/786845821.db2.gz MRGIGPRALKXFAL-MCIONIFRSA-N 2 2 349.395 -1.476 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490762 786845437 /nfs/dbraw/zinc/84/54/37/786845437.db2.gz MRGIGPRALKXFAL-MJBXVCDLSA-N 2 2 349.395 -1.476 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490762 786845430 /nfs/dbraw/zinc/84/54/30/786845430.db2.gz MRGIGPRALKXFAL-MJBXVCDLSA-N 2 2 349.395 -1.476 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803367 786875066 /nfs/dbraw/zinc/87/50/66/786875066.db2.gz HUZCKJAQPROQRP-NEPJUHHUSA-N 2 2 346.395 -1.279 20 0 EAADLP O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893084 786880685 /nfs/dbraw/zinc/88/06/85/786880685.db2.gz HLXROXLNEPLLGE-IJLUTSLNSA-N 2 2 349.391 -1.271 20 0 EAADLP O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893084 786880671 /nfs/dbraw/zinc/88/06/71/786880671.db2.gz HLXROXLNEPLLGE-IJLUTSLNSA-N 2 2 349.391 -1.271 20 0 EAADLP O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893088 786881199 /nfs/dbraw/zinc/88/11/99/786881199.db2.gz HLXROXLNEPLLGE-QJPTWQEYSA-N 2 2 349.391 -1.271 20 0 EAADLP O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893088 786881186 /nfs/dbraw/zinc/88/11/86/786881186.db2.gz HLXROXLNEPLLGE-QJPTWQEYSA-N 2 2 349.391 -1.271 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n(C)c1=O ZINC001129901514 786884968 /nfs/dbraw/zinc/88/49/68/786884968.db2.gz YPTMLFGHFVONTG-VXGBXAGGSA-N 2 2 346.391 -1.183 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910428 786882745 /nfs/dbraw/zinc/88/27/45/786882745.db2.gz SLNWUYRLGQFJSL-MCIONIFRSA-N 2 2 349.439 -1.150 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910428 786882735 /nfs/dbraw/zinc/88/27/35/786882735.db2.gz SLNWUYRLGQFJSL-MCIONIFRSA-N 2 2 349.439 -1.150 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910429 786883497 /nfs/dbraw/zinc/88/34/97/786883497.db2.gz SLNWUYRLGQFJSL-RDBSUJKOSA-N 2 2 349.439 -1.150 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910429 786883490 /nfs/dbraw/zinc/88/34/90/786883490.db2.gz SLNWUYRLGQFJSL-RDBSUJKOSA-N 2 2 349.439 -1.150 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129931835 786886519 /nfs/dbraw/zinc/88/65/19/786886519.db2.gz BQZLNBMSOIOFII-OLZOCXBDSA-N 2 2 346.395 -1.429 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952038 786888518 /nfs/dbraw/zinc/88/85/18/786888518.db2.gz FKIQNVVAQOGPKQ-OLZOCXBDSA-N 2 2 346.395 -1.348 20 0 EAADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992064 786895849 /nfs/dbraw/zinc/89/58/49/786895849.db2.gz JYZZDVLMRWXBKH-OLZOCXBDSA-N 2 2 347.427 -1.100 20 0 EAADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992139 786898440 /nfs/dbraw/zinc/89/84/40/786898440.db2.gz MOIJZQDIIOLDKU-OLZOCXBDSA-N 2 2 347.427 -1.100 20 0 EAADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)nn1 ZINC001129992248 786898388 /nfs/dbraw/zinc/89/83/88/786898388.db2.gz UTKIBYGXRKOLGZ-KGLIPLIRSA-N 2 2 347.427 -1.100 20 0 EAADLP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)n1 ZINC001129992326 786897592 /nfs/dbraw/zinc/89/75/92/786897592.db2.gz YTOSZALFZMHCML-KGLIPLIRSA-N 2 2 347.427 -1.100 20 0 EAADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130020498 786897206 /nfs/dbraw/zinc/89/72/06/786897206.db2.gz JINWEEFPRJWSTO-OLZOCXBDSA-N 2 2 346.395 -1.279 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130020658 786898243 /nfs/dbraw/zinc/89/82/43/786898243.db2.gz QNRMNXXYAPCVNH-NEPJUHHUSA-N 2 2 332.368 -1.669 20 0 EAADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130020664 786898972 /nfs/dbraw/zinc/89/89/72/786898972.db2.gz QUTIHGFPHVVHTD-OLZOCXBDSA-N 2 2 346.395 -1.326 20 0 EAADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024089 786899996 /nfs/dbraw/zinc/89/99/96/786899996.db2.gz JVTAUVJLJCIWCM-MCIONIFRSA-N 2 2 349.395 -1.407 20 0 EAADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024090 786900593 /nfs/dbraw/zinc/90/05/93/786900593.db2.gz JVTAUVJLJCIWCM-MJBXVCDLSA-N 2 2 349.395 -1.407 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024201 786899326 /nfs/dbraw/zinc/89/93/26/786899326.db2.gz MUBRZJCFISTAEI-RTXFEEFZSA-N 2 2 346.395 -1.280 20 0 EAADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024202 786899897 /nfs/dbraw/zinc/89/98/97/786899897.db2.gz MUBRZJCFISTAEI-UHTWSYAYSA-N 2 2 346.395 -1.280 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130024581 786899552 /nfs/dbraw/zinc/89/95/52/786899552.db2.gz XMJKZGFKJOKUQE-KGLIPLIRSA-N 2 2 349.395 -1.406 20 0 EAADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130056980 786903665 /nfs/dbraw/zinc/90/36/65/786903665.db2.gz CTJYQWILWAIIOB-UPJWGTAASA-N 2 2 349.395 -1.407 20 0 EAADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130056981 786904116 /nfs/dbraw/zinc/90/41/16/786904116.db2.gz CTJYQWILWAIIOB-XQQFMLRXSA-N 2 2 349.395 -1.407 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130057169 786903322 /nfs/dbraw/zinc/90/33/22/786903322.db2.gz LYSDULBHDPDSBG-OLZOCXBDSA-N 2 2 349.395 -1.406 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130085980 786905053 /nfs/dbraw/zinc/90/50/53/786905053.db2.gz GNIQUSWAMPVJCN-OLZOCXBDSA-N 2 2 346.395 -1.658 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130086064 786904917 /nfs/dbraw/zinc/90/49/17/786904917.db2.gz JNZKRNPIVZSQGG-KGLIPLIRSA-N 2 2 333.396 -1.022 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130107700 786908138 /nfs/dbraw/zinc/90/81/38/786908138.db2.gz WHMUOECDAPWCRQ-OLZOCXBDSA-N 2 2 346.395 -1.360 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123347 786909731 /nfs/dbraw/zinc/90/97/31/786909731.db2.gz OFQMSRBLLOLQQY-OLZOCXBDSA-N 2 2 346.395 -1.429 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151063 786911778 /nfs/dbraw/zinc/91/17/78/786911778.db2.gz HJRAVSDLZHITIU-NEPJUHHUSA-N 2 2 332.368 -1.738 20 0 EAADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151206 786911835 /nfs/dbraw/zinc/91/18/35/786911835.db2.gz IZPMMKYVGZZYDF-MCIONIFRSA-N 2 2 349.395 -1.476 20 0 EAADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151207 786911990 /nfs/dbraw/zinc/91/19/90/786911990.db2.gz IZPMMKYVGZZYDF-MJBXVCDLSA-N 2 2 349.395 -1.476 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151261 786911938 /nfs/dbraw/zinc/91/19/38/786911938.db2.gz LGCXJFYMRWOCGX-UPJWGTAASA-N 2 2 346.395 -1.349 20 0 EAADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151262 786910851 /nfs/dbraw/zinc/91/08/51/786910851.db2.gz LGCXJFYMRWOCGX-XQQFMLRXSA-N 2 2 346.395 -1.349 20 0 EAADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151430 786911176 /nfs/dbraw/zinc/91/11/76/786911176.db2.gz QUMQDVJHXMCVNC-OLZOCXBDSA-N 2 2 346.395 -1.396 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130151444 786912039 /nfs/dbraw/zinc/91/20/39/786912039.db2.gz RFHUIPNGGJCQOT-KGLIPLIRSA-N 2 2 349.395 -1.475 20 0 EAADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151541 786911140 /nfs/dbraw/zinc/91/11/40/786911140.db2.gz WQSIVNQDTCLBCA-OLZOCXBDSA-N 2 2 346.395 -1.348 20 0 EAADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158465 786911751 /nfs/dbraw/zinc/91/17/51/786911751.db2.gz KPDCAEHOWBULAE-OLZOCXBDSA-N 2 2 346.395 -1.218 20 0 EAADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130176068 786912501 /nfs/dbraw/zinc/91/25/01/786912501.db2.gz BDEKBWSXXBAESV-UHFFFAOYSA-N 2 2 335.364 -1.110 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)O1 ZINC001130180139 786912821 /nfs/dbraw/zinc/91/28/21/786912821.db2.gz CTIMOPFAJREIIF-VXGBXAGGSA-N 2 2 338.412 -1.267 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)O1 ZINC001130180139 786912813 /nfs/dbraw/zinc/91/28/13/786912813.db2.gz CTIMOPFAJREIIF-VXGBXAGGSA-N 2 2 338.412 -1.267 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)O1 ZINC001130180266 786914378 /nfs/dbraw/zinc/91/43/78/786914378.db2.gz JWABBEFZXIQDBI-NXEZZACHSA-N 2 2 342.425 -1.099 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)O1 ZINC001130180266 786914368 /nfs/dbraw/zinc/91/43/68/786914368.db2.gz JWABBEFZXIQDBI-NXEZZACHSA-N 2 2 342.425 -1.099 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)O1 ZINC001130180792 786913061 /nfs/dbraw/zinc/91/30/61/786913061.db2.gz ZDJUHJXXTJNPMF-VXGBXAGGSA-N 2 2 336.396 -1.160 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)O1 ZINC001130180792 786913053 /nfs/dbraw/zinc/91/30/53/786913053.db2.gz ZDJUHJXXTJNPMF-VXGBXAGGSA-N 2 2 336.396 -1.160 20 0 EAADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1)[NH+](C)C ZINC001130205821 786917833 /nfs/dbraw/zinc/91/78/33/786917833.db2.gz XTTOISUIXCCLOT-SNVBAGLBSA-N 2 2 326.401 -1.096 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)nc1=O ZINC001130230440 786920890 /nfs/dbraw/zinc/92/08/90/786920890.db2.gz LEWHHESEXPDXEI-UHFFFAOYSA-N 2 2 340.428 -1.327 20 0 EAADLP Cn1nnnc1C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230722 786921269 /nfs/dbraw/zinc/92/12/69/786921269.db2.gz SSKJFTJSTHABQU-UHFFFAOYSA-N 2 2 325.417 -1.226 20 0 EAADLP O=C(C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)N1CCNC(=O)C1 ZINC001130265998 786924777 /nfs/dbraw/zinc/92/47/77/786924777.db2.gz HOHGPRTYEVCCBX-UHFFFAOYSA-N 2 2 344.375 -1.159 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404646 786942037 /nfs/dbraw/zinc/94/20/37/786942037.db2.gz MECOELZWYRNZQT-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404647 786942308 /nfs/dbraw/zinc/94/23/08/786942308.db2.gz MECOELZWYRNZQT-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404856 786942302 /nfs/dbraw/zinc/94/23/02/786942302.db2.gz QNABFWFEEXNLMW-LLVKDONJSA-N 2 2 334.380 -1.297 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404857 786942660 /nfs/dbraw/zinc/94/26/60/786942660.db2.gz QNABFWFEEXNLMW-NSHDSACASA-N 2 2 334.380 -1.297 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)N1CCNC(=O)C1 ZINC001130405074 786942558 /nfs/dbraw/zinc/94/25/58/786942558.db2.gz WFZYEDDYNUKSDH-GFCCVEGCSA-N 2 2 348.407 -1.890 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)N1CCNC(=O)C1 ZINC001130405075 786942116 /nfs/dbraw/zinc/94/21/16/786942116.db2.gz WFZYEDDYNUKSDH-LBPRGKRZSA-N 2 2 348.407 -1.890 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406564 786942941 /nfs/dbraw/zinc/94/29/41/786942941.db2.gz ARJBWAYTOVSMRD-LLVKDONJSA-N 2 2 329.426 -1.300 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406565 786942690 /nfs/dbraw/zinc/94/26/90/786942690.db2.gz ARJBWAYTOVSMRD-NSHDSACASA-N 2 2 329.426 -1.300 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406788 786942585 /nfs/dbraw/zinc/94/25/85/786942585.db2.gz FDUPFXJHWPJFCV-GHMZBOCLSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406789 786942810 /nfs/dbraw/zinc/94/28/10/786942810.db2.gz FDUPFXJHWPJFCV-MNOVXSKESA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406790 786942402 /nfs/dbraw/zinc/94/24/02/786942402.db2.gz FDUPFXJHWPJFCV-QWRGUYRKSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406791 786942864 /nfs/dbraw/zinc/94/28/64/786942864.db2.gz FDUPFXJHWPJFCV-WDEREUQCSA-N 2 2 336.396 -1.005 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)N1CCNC(=O)C1 ZINC001130477302 786951839 /nfs/dbraw/zinc/95/18/39/786951839.db2.gz CKHOWXPLJYJMAF-GFCCVEGCSA-N 2 2 348.407 -1.890 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)N1CCNC(=O)C1 ZINC001130477303 786952138 /nfs/dbraw/zinc/95/21/38/786952138.db2.gz CKHOWXPLJYJMAF-LBPRGKRZSA-N 2 2 348.407 -1.890 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478075 786952224 /nfs/dbraw/zinc/95/22/24/786952224.db2.gz RQGHZCPDMFGYHX-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478076 786951147 /nfs/dbraw/zinc/95/11/47/786951147.db2.gz RQGHZCPDMFGYHX-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130480964 786951791 /nfs/dbraw/zinc/95/17/91/786951791.db2.gz HTSJJOFIEZRYRK-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130480965 786951997 /nfs/dbraw/zinc/95/19/97/786951997.db2.gz HTSJJOFIEZRYRK-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N1CCNC(=O)C1 ZINC001130481366 786951385 /nfs/dbraw/zinc/95/13/85/786951385.db2.gz QNYIKNHUTDZQOX-GFCCVEGCSA-N 2 2 348.407 -1.890 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)N1CCNC(=O)C1 ZINC001130481367 786952300 /nfs/dbraw/zinc/95/23/00/786952300.db2.gz QNYIKNHUTDZQOX-LBPRGKRZSA-N 2 2 348.407 -1.890 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481498 786952199 /nfs/dbraw/zinc/95/21/99/786952199.db2.gz UZGGGGRXXREQBF-LLVKDONJSA-N 2 2 329.426 -1.300 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481499 786952429 /nfs/dbraw/zinc/95/24/29/786952429.db2.gz UZGGGGRXXREQBF-NSHDSACASA-N 2 2 329.426 -1.300 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481610 786952180 /nfs/dbraw/zinc/95/21/80/786952180.db2.gz XOUWTLQMYWGDDG-LLVKDONJSA-N 2 2 334.380 -1.297 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481611 786951880 /nfs/dbraw/zinc/95/18/80/786951880.db2.gz XOUWTLQMYWGDDG-NSHDSACASA-N 2 2 334.380 -1.297 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481666 786951399 /nfs/dbraw/zinc/95/13/99/786951399.db2.gz YLOFLLSPEMHIGK-GHMZBOCLSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481667 786951008 /nfs/dbraw/zinc/95/10/08/786951008.db2.gz YLOFLLSPEMHIGK-MNOVXSKESA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481668 786951310 /nfs/dbraw/zinc/95/13/10/786951310.db2.gz YLOFLLSPEMHIGK-QWRGUYRKSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481669 786950947 /nfs/dbraw/zinc/95/09/47/786950947.db2.gz YLOFLLSPEMHIGK-WDEREUQCSA-N 2 2 336.396 -1.005 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130483975 786952034 /nfs/dbraw/zinc/95/20/34/786952034.db2.gz BKORGXYVKWQKMG-LLVKDONJSA-N 2 2 329.426 -1.300 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130483976 786952462 /nfs/dbraw/zinc/95/24/62/786952462.db2.gz BKORGXYVKWQKMG-NSHDSACASA-N 2 2 329.426 -1.300 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484033 786951608 /nfs/dbraw/zinc/95/16/08/786951608.db2.gz CNPGOUFUISEQCR-LLVKDONJSA-N 2 2 334.380 -1.297 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484034 786952051 /nfs/dbraw/zinc/95/20/51/786952051.db2.gz CNPGOUFUISEQCR-NSHDSACASA-N 2 2 334.380 -1.297 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484311 786951773 /nfs/dbraw/zinc/95/17/73/786951773.db2.gz KHMFFKBAUHVCLD-GHMZBOCLSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484312 786951111 /nfs/dbraw/zinc/95/11/11/786951111.db2.gz KHMFFKBAUHVCLD-MNOVXSKESA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484313 786951854 /nfs/dbraw/zinc/95/18/54/786951854.db2.gz KHMFFKBAUHVCLD-QWRGUYRKSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484314 786951275 /nfs/dbraw/zinc/95/12/75/786951275.db2.gz KHMFFKBAUHVCLD-WDEREUQCSA-N 2 2 336.396 -1.005 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130486961 786951887 /nfs/dbraw/zinc/95/18/87/786951887.db2.gz AFEHJBGEJCGXHQ-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130486964 786952157 /nfs/dbraw/zinc/95/21/57/786952157.db2.gz AFEHJBGEJCGXHQ-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487074 786951560 /nfs/dbraw/zinc/95/15/60/786951560.db2.gz CFOUJQVBDFVVRH-LLVKDONJSA-N 2 2 334.380 -1.297 20 0 EAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487075 786951591 /nfs/dbraw/zinc/95/15/91/786951591.db2.gz CFOUJQVBDFVVRH-NSHDSACASA-N 2 2 334.380 -1.297 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488743 786952375 /nfs/dbraw/zinc/95/23/75/786952375.db2.gz VTCLEGFMIURFDW-LLVKDONJSA-N 2 2 329.426 -1.300 20 0 EAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488744 786951743 /nfs/dbraw/zinc/95/17/43/786951743.db2.gz VTCLEGFMIURFDW-NSHDSACASA-N 2 2 329.426 -1.300 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)N1CCNC(=O)C1 ZINC001130488771 786951980 /nfs/dbraw/zinc/95/19/80/786951980.db2.gz WBUVKACTCYQUIA-GFCCVEGCSA-N 2 2 348.407 -1.890 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)N1CCNC(=O)C1 ZINC001130488772 786951870 /nfs/dbraw/zinc/95/18/70/786951870.db2.gz WBUVKACTCYQUIA-LBPRGKRZSA-N 2 2 348.407 -1.890 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488839 786951779 /nfs/dbraw/zinc/95/17/79/786951779.db2.gz YAYPQKXKDXNXPT-GHMZBOCLSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488840 786951625 /nfs/dbraw/zinc/95/16/25/786951625.db2.gz YAYPQKXKDXNXPT-MNOVXSKESA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488841 786952007 /nfs/dbraw/zinc/95/20/07/786952007.db2.gz YAYPQKXKDXNXPT-QWRGUYRKSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488842 786951477 /nfs/dbraw/zinc/95/14/77/786951477.db2.gz YAYPQKXKDXNXPT-WDEREUQCSA-N 2 2 336.396 -1.005 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491480 786951356 /nfs/dbraw/zinc/95/13/56/786951356.db2.gz UPPXCOCIGLZOOE-JTQLQIEISA-N 2 2 336.396 -1.016 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491480 786951349 /nfs/dbraw/zinc/95/13/49/786951349.db2.gz UPPXCOCIGLZOOE-JTQLQIEISA-N 2 2 336.396 -1.016 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491481 786951766 /nfs/dbraw/zinc/95/17/66/786951766.db2.gz UPPXCOCIGLZOOE-SNVBAGLBSA-N 2 2 336.396 -1.016 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491481 786951762 /nfs/dbraw/zinc/95/17/62/786951762.db2.gz UPPXCOCIGLZOOE-SNVBAGLBSA-N 2 2 336.396 -1.016 20 0 EAADLP CN(CC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)S(C)(=O)=O ZINC001130645594 786965288 /nfs/dbraw/zinc/96/52/88/786965288.db2.gz QEEXACGYLRSNMK-UHFFFAOYSA-N 2 2 347.441 -1.053 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648458 786964444 /nfs/dbraw/zinc/96/44/44/786964444.db2.gz OJMFRFQELNCXRS-SECBINFHSA-N 2 2 340.384 -1.100 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648459 786964606 /nfs/dbraw/zinc/96/46/06/786964606.db2.gz OJMFRFQELNCXRS-VIFPVBQESA-N 2 2 340.384 -1.100 20 0 EAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)no1 ZINC001130648504 786963677 /nfs/dbraw/zinc/96/36/77/786963677.db2.gz PDCXQAMYUWSCIK-UHFFFAOYSA-N 2 2 333.414 -1.395 20 0 EAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648512 786963805 /nfs/dbraw/zinc/96/38/05/786963805.db2.gz PJCHQLDFFBEGPA-UHFFFAOYSA-N 2 2 347.441 -1.005 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)C(=O)NC(N)=O ZINC001130648719 786964626 /nfs/dbraw/zinc/96/46/26/786964626.db2.gz SPHMNOCQMKHEIX-MRVPVSSYSA-N 2 2 326.357 -1.361 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)C(=O)NC(N)=O ZINC001130648720 786964338 /nfs/dbraw/zinc/96/43/38/786964338.db2.gz SPHMNOCQMKHEIX-QMMMGPOBSA-N 2 2 326.357 -1.361 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130653375 786966171 /nfs/dbraw/zinc/96/61/71/786966171.db2.gz IUIUQICYSJLZPU-UHFFFAOYSA-N 2 2 340.384 -1.099 20 0 EAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)no1 ZINC001130653445 786966206 /nfs/dbraw/zinc/96/62/06/786966206.db2.gz LPMURUFLKVXKMR-UHFFFAOYSA-N 2 2 339.396 -1.086 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130653467 786965812 /nfs/dbraw/zinc/96/58/12/786965812.db2.gz MMTWMFLUBNLGFX-UHFFFAOYSA-N 2 2 326.357 -1.489 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739669 786973167 /nfs/dbraw/zinc/97/31/67/786973167.db2.gz JKEAOAQFCNSOOZ-GXTWGEPZSA-N 2 2 345.407 -1.053 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130465 787024741 /nfs/dbraw/zinc/02/47/41/787024741.db2.gz OEDBQOKNOPQPLT-CHWSQXEVSA-N 2 2 345.407 -1.053 20 0 EAADLP O=C(C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21)N1CCNC(=O)C1 ZINC001131270700 787028860 /nfs/dbraw/zinc/02/88/60/787028860.db2.gz PYDXUYCLZSKWJZ-UHFFFAOYSA-N 2 2 344.375 -1.388 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)CC1 ZINC001131377033 787048490 /nfs/dbraw/zinc/04/84/90/787048490.db2.gz PIZGIFBIGBESOF-UHFFFAOYSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+](C)CC1(C(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)CC1 ZINC001131377033 787048482 /nfs/dbraw/zinc/04/84/82/787048482.db2.gz PIZGIFBIGBESOF-UHFFFAOYSA-N 2 2 326.441 -1.029 20 0 EAADLP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@H+](CCOCCO)CC1 ZINC001131381637 787046689 /nfs/dbraw/zinc/04/66/89/787046689.db2.gz VFWSIKHADNGWPO-UHFFFAOYSA-N 2 2 344.456 -1.403 20 0 EAADLP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](CCOCCO)CC1 ZINC001131381637 787046684 /nfs/dbraw/zinc/04/66/84/787046684.db2.gz VFWSIKHADNGWPO-UHFFFAOYSA-N 2 2 344.456 -1.403 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131393014 787053104 /nfs/dbraw/zinc/05/31/04/787053104.db2.gz IXBCYMQGYQBROB-UHFFFAOYSA-N 2 2 330.429 -1.793 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131393014 787053099 /nfs/dbraw/zinc/05/30/99/787053099.db2.gz IXBCYMQGYQBROB-UHFFFAOYSA-N 2 2 330.429 -1.793 20 0 EAADLP COCC[N@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131393057 787053839 /nfs/dbraw/zinc/05/38/39/787053839.db2.gz KNUKINGDLNSMSK-UHFFFAOYSA-N 2 2 344.456 -1.139 20 0 EAADLP COCC[N@@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131393057 787053824 /nfs/dbraw/zinc/05/38/24/787053824.db2.gz KNUKINGDLNSMSK-UHFFFAOYSA-N 2 2 344.456 -1.139 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131423952 787054693 /nfs/dbraw/zinc/05/46/93/787054693.db2.gz FMVCEVNFWNEARS-UHFFFAOYSA-N 2 2 336.396 -1.077 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)nc1=O ZINC001131519610 787059006 /nfs/dbraw/zinc/05/90/06/787059006.db2.gz HMZMFRCZCAUKQH-LOIXOFCESA-N 2 2 336.396 -1.823 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)nc1=O ZINC001131519610 787058998 /nfs/dbraw/zinc/05/89/98/787058998.db2.gz HMZMFRCZCAUKQH-LOIXOFCESA-N 2 2 336.396 -1.823 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)nc1=O ZINC001131519611 787059738 /nfs/dbraw/zinc/05/97/38/787059738.db2.gz HMZMFRCZCAUKQH-VTWZXRTESA-N 2 2 336.396 -1.823 20 0 EAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)nc1=O ZINC001131519611 787059733 /nfs/dbraw/zinc/05/97/33/787059733.db2.gz HMZMFRCZCAUKQH-VTWZXRTESA-N 2 2 336.396 -1.823 20 0 EAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610815 787061537 /nfs/dbraw/zinc/06/15/37/787061537.db2.gz JSNYTPJPCIRLNF-OLZOCXBDSA-N 2 2 328.413 -1.682 20 0 EAADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613477 787063823 /nfs/dbraw/zinc/06/38/23/787063823.db2.gz CFPNHGHAEIVOHZ-MCIONIFRSA-N 2 2 340.424 -1.540 20 0 EAADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613478 787064235 /nfs/dbraw/zinc/06/42/35/787064235.db2.gz CFPNHGHAEIVOHZ-RDBSUJKOSA-N 2 2 340.424 -1.540 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613604 787063139 /nfs/dbraw/zinc/06/31/39/787063139.db2.gz HXBNVNPWMAAARJ-MCIONIFRSA-N 2 2 342.440 -1.294 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613605 787063165 /nfs/dbraw/zinc/06/31/65/787063165.db2.gz HXBNVNPWMAAARJ-MJBXVCDLSA-N 2 2 342.440 -1.294 20 0 EAADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613675 787063478 /nfs/dbraw/zinc/06/34/78/787063478.db2.gz JWLSKBCGZKYXBV-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613686 787064749 /nfs/dbraw/zinc/06/47/49/787064749.db2.gz KHRVNBBQXQKFTM-KGLIPLIRSA-N 2 2 342.440 -1.292 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001131613726 787064083 /nfs/dbraw/zinc/06/40/83/787064083.db2.gz LQHXSPOTYSWHGY-UPJWGTAASA-N 2 2 328.413 -1.554 20 0 EAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001131613727 787063415 /nfs/dbraw/zinc/06/34/15/787063415.db2.gz LQHXSPOTYSWHGY-XQQFMLRXSA-N 2 2 328.413 -1.554 20 0 EAADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613738 787064154 /nfs/dbraw/zinc/06/41/54/787064154.db2.gz LVNITOBNIMGJCD-KFWWJZLASA-N 2 2 345.440 -1.421 20 0 EAADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613739 787065367 /nfs/dbraw/zinc/06/53/67/787065367.db2.gz LVNITOBNIMGJCD-ZNMIVQPWSA-N 2 2 345.440 -1.421 20 0 EAADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001131613986 787064117 /nfs/dbraw/zinc/06/41/17/787064117.db2.gz UZZXGBGZZGYSDQ-MCIONIFRSA-N 2 2 342.440 -1.164 20 0 EAADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001131613987 787064350 /nfs/dbraw/zinc/06/43/50/787064350.db2.gz UZZXGBGZZGYSDQ-RDBSUJKOSA-N 2 2 342.440 -1.164 20 0 EAADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614015 787063113 /nfs/dbraw/zinc/06/31/13/787063113.db2.gz VTMFKUMWUKETNM-CABCVRRESA-N 2 2 345.440 -1.419 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131639552 787066536 /nfs/dbraw/zinc/06/65/36/787066536.db2.gz IQZZCDXSLIRUQU-UHFFFAOYSA-N 2 2 336.396 -1.983 20 0 EAADLP CN(CC[NH2+]CCNC(=O)CCc1[nH+]ccn1C)S(C)(=O)=O ZINC001131641221 787068872 /nfs/dbraw/zinc/06/88/72/787068872.db2.gz JTRBFSANVKZZOH-UHFFFAOYSA-N 2 2 331.442 -1.050 20 0 EAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656038 787074427 /nfs/dbraw/zinc/07/44/27/787074427.db2.gz IQQMZKUTRPLKPV-UHFFFAOYSA-N 2 2 331.442 -1.002 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001131656460 787075926 /nfs/dbraw/zinc/07/59/26/787075926.db2.gz PBZZMDKGYZEGJU-UHFFFAOYSA-N 2 2 348.407 -1.344 20 0 EAADLP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001131694412 787081187 /nfs/dbraw/zinc/08/11/87/787081187.db2.gz XDOALBAUUICFHF-BBRMVZONSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001131694412 787081180 /nfs/dbraw/zinc/08/11/80/787081180.db2.gz XDOALBAUUICFHF-BBRMVZONSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001131694413 787082926 /nfs/dbraw/zinc/08/29/26/787082926.db2.gz XDOALBAUUICFHF-CJNGLKHVSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001131694413 787082916 /nfs/dbraw/zinc/08/29/16/787082916.db2.gz XDOALBAUUICFHF-CJNGLKHVSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001131694414 787082737 /nfs/dbraw/zinc/08/27/37/787082737.db2.gz XDOALBAUUICFHF-CZUORRHYSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001131694414 787082735 /nfs/dbraw/zinc/08/27/35/787082735.db2.gz XDOALBAUUICFHF-CZUORRHYSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@@H+](CC(N)=O)C2)O1 ZINC001131694415 787080966 /nfs/dbraw/zinc/08/09/66/787080966.db2.gz XDOALBAUUICFHF-XJKSGUPXSA-N 2 2 342.440 -1.258 20 0 EAADLP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@H+](CC(N)=O)C2)O1 ZINC001131694415 787080955 /nfs/dbraw/zinc/08/09/55/787080955.db2.gz XDOALBAUUICFHF-XJKSGUPXSA-N 2 2 342.440 -1.258 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131821491 787095800 /nfs/dbraw/zinc/09/58/00/787095800.db2.gz AJBHYWSLTCGQJU-NEPJUHHUSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131821491 787095793 /nfs/dbraw/zinc/09/57/93/787095793.db2.gz AJBHYWSLTCGQJU-NEPJUHHUSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131821492 787094867 /nfs/dbraw/zinc/09/48/67/787094867.db2.gz AJBHYWSLTCGQJU-NWDGAFQWSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131821492 787094862 /nfs/dbraw/zinc/09/48/62/787094862.db2.gz AJBHYWSLTCGQJU-NWDGAFQWSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131821493 787093879 /nfs/dbraw/zinc/09/38/79/787093879.db2.gz AJBHYWSLTCGQJU-RYUDHWBXSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131821493 787093863 /nfs/dbraw/zinc/09/38/63/787093863.db2.gz AJBHYWSLTCGQJU-RYUDHWBXSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131821494 787095110 /nfs/dbraw/zinc/09/51/10/787095110.db2.gz AJBHYWSLTCGQJU-VXGBXAGGSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131821494 787095100 /nfs/dbraw/zinc/09/51/00/787095100.db2.gz AJBHYWSLTCGQJU-VXGBXAGGSA-N 2 2 343.428 -1.224 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131821876 787094410 /nfs/dbraw/zinc/09/44/10/787094410.db2.gz FWYXWPMBPZHQKP-LLVKDONJSA-N 2 2 329.401 -1.612 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131821876 787094402 /nfs/dbraw/zinc/09/44/02/787094402.db2.gz FWYXWPMBPZHQKP-LLVKDONJSA-N 2 2 329.401 -1.612 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131821877 787094999 /nfs/dbraw/zinc/09/49/99/787094999.db2.gz FWYXWPMBPZHQKP-NSHDSACASA-N 2 2 329.401 -1.612 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131821877 787094989 /nfs/dbraw/zinc/09/49/89/787094989.db2.gz FWYXWPMBPZHQKP-NSHDSACASA-N 2 2 329.401 -1.612 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001131822112 787095191 /nfs/dbraw/zinc/09/51/91/787095191.db2.gz JLJLHEIFWMCAMF-GFCCVEGCSA-N 2 2 343.428 -1.351 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001131822112 787095185 /nfs/dbraw/zinc/09/51/85/787095185.db2.gz JLJLHEIFWMCAMF-GFCCVEGCSA-N 2 2 343.428 -1.351 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001131822113 787095079 /nfs/dbraw/zinc/09/50/79/787095079.db2.gz JLJLHEIFWMCAMF-LBPRGKRZSA-N 2 2 343.428 -1.351 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001131822113 787095067 /nfs/dbraw/zinc/09/50/67/787095067.db2.gz JLJLHEIFWMCAMF-LBPRGKRZSA-N 2 2 343.428 -1.351 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131822869 787095617 /nfs/dbraw/zinc/09/56/17/787095617.db2.gz WPAWGORZLHYDED-GFCCVEGCSA-N 2 2 341.412 -1.612 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822869 787095608 /nfs/dbraw/zinc/09/56/08/787095608.db2.gz WPAWGORZLHYDED-GFCCVEGCSA-N 2 2 341.412 -1.612 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131822870 787094960 /nfs/dbraw/zinc/09/49/60/787094960.db2.gz WPAWGORZLHYDED-LBPRGKRZSA-N 2 2 341.412 -1.612 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822870 787094952 /nfs/dbraw/zinc/09/49/52/787094952.db2.gz WPAWGORZLHYDED-LBPRGKRZSA-N 2 2 341.412 -1.612 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131822933 787094664 /nfs/dbraw/zinc/09/46/64/787094664.db2.gz YGYPYPYYRNFNHH-CHWSQXEVSA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131822933 787094653 /nfs/dbraw/zinc/09/46/53/787094653.db2.gz YGYPYPYYRNFNHH-CHWSQXEVSA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131822934 787095983 /nfs/dbraw/zinc/09/59/83/787095983.db2.gz YGYPYPYYRNFNHH-OLZOCXBDSA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131822934 787095979 /nfs/dbraw/zinc/09/59/79/787095979.db2.gz YGYPYPYYRNFNHH-OLZOCXBDSA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131822935 787094349 /nfs/dbraw/zinc/09/43/49/787094349.db2.gz YGYPYPYYRNFNHH-QWHCGFSZSA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131822935 787094341 /nfs/dbraw/zinc/09/43/41/787094341.db2.gz YGYPYPYYRNFNHH-QWHCGFSZSA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131822936 787095900 /nfs/dbraw/zinc/09/59/00/787095900.db2.gz YGYPYPYYRNFNHH-STQMWFEESA-N 2 2 340.424 -1.002 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131822936 787095893 /nfs/dbraw/zinc/09/58/93/787095893.db2.gz YGYPYPYYRNFNHH-STQMWFEESA-N 2 2 340.424 -1.002 20 0 EAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001132082346 787117082 /nfs/dbraw/zinc/11/70/82/787117082.db2.gz LVISZEKXWUXNCC-GFCCVEGCSA-N 2 2 337.380 -1.511 20 0 EAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001132082348 787116057 /nfs/dbraw/zinc/11/60/57/787116057.db2.gz LVISZEKXWUXNCC-LBPRGKRZSA-N 2 2 337.380 -1.511 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001132084954 787119175 /nfs/dbraw/zinc/11/91/75/787119175.db2.gz LLNWVEBMMMQZJL-GFCCVEGCSA-N 2 2 338.412 -1.428 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001132084962 787117569 /nfs/dbraw/zinc/11/75/69/787117569.db2.gz LLNWVEBMMMQZJL-LBPRGKRZSA-N 2 2 338.412 -1.428 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)n(C)c1=O ZINC001132085519 787118435 /nfs/dbraw/zinc/11/84/35/787118435.db2.gz XWANBENRNGROES-UHFFFAOYSA-N 2 2 334.380 -1.423 20 0 EAADLP C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CC(=O)NC(N)=O ZINC001132425319 787148102 /nfs/dbraw/zinc/14/81/02/787148102.db2.gz HOSYQIMSQVBSLP-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CC(=O)NC(N)=O ZINC001132425319 787148098 /nfs/dbraw/zinc/14/80/98/787148098.db2.gz HOSYQIMSQVBSLP-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CC(=O)NC(N)=O ZINC001132425321 787148442 /nfs/dbraw/zinc/14/84/42/787148442.db2.gz HOSYQIMSQVBSLP-NWDGAFQWSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CC(=O)NC(N)=O ZINC001132425321 787148438 /nfs/dbraw/zinc/14/84/38/787148438.db2.gz HOSYQIMSQVBSLP-NWDGAFQWSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CC(=O)NC(N)=O ZINC001132425323 787148597 /nfs/dbraw/zinc/14/85/97/787148597.db2.gz HOSYQIMSQVBSLP-RYUDHWBXSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CC(=O)NC(N)=O ZINC001132425323 787148592 /nfs/dbraw/zinc/14/85/92/787148592.db2.gz HOSYQIMSQVBSLP-RYUDHWBXSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@H+]1CC(=O)NC(N)=O ZINC001132425325 787147566 /nfs/dbraw/zinc/14/75/66/787147566.db2.gz HOSYQIMSQVBSLP-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CC(=O)NC(N)=O ZINC001132425325 787147559 /nfs/dbraw/zinc/14/75/59/787147559.db2.gz HOSYQIMSQVBSLP-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784211 787161543 /nfs/dbraw/zinc/16/15/43/787161543.db2.gz LUKGHNURGSYZMC-GFCCVEGCSA-N 2 2 341.412 -1.470 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784211 787161535 /nfs/dbraw/zinc/16/15/35/787161535.db2.gz LUKGHNURGSYZMC-GFCCVEGCSA-N 2 2 341.412 -1.470 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784212 787162389 /nfs/dbraw/zinc/16/23/89/787162389.db2.gz LUKGHNURGSYZMC-LBPRGKRZSA-N 2 2 341.412 -1.470 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784212 787162380 /nfs/dbraw/zinc/16/23/80/787162380.db2.gz LUKGHNURGSYZMC-LBPRGKRZSA-N 2 2 341.412 -1.470 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132858840 787164478 /nfs/dbraw/zinc/16/44/78/787164478.db2.gz LOWUQJJXMPYFTN-LLVKDONJSA-N 2 2 326.401 -1.577 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132858840 787164472 /nfs/dbraw/zinc/16/44/72/787164472.db2.gz LOWUQJJXMPYFTN-LLVKDONJSA-N 2 2 326.401 -1.577 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132858841 787163912 /nfs/dbraw/zinc/16/39/12/787163912.db2.gz LOWUQJJXMPYFTN-NSHDSACASA-N 2 2 326.401 -1.577 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001132858841 787163890 /nfs/dbraw/zinc/16/38/90/787163890.db2.gz LOWUQJJXMPYFTN-NSHDSACASA-N 2 2 326.401 -1.577 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132994792 787170756 /nfs/dbraw/zinc/17/07/56/787170756.db2.gz BSSLYRFJVHVNMF-UHFFFAOYSA-N 2 2 338.412 -1.094 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133051972 787173062 /nfs/dbraw/zinc/17/30/62/787173062.db2.gz WVWOXSIYCVYVTG-UHFFFAOYSA-N 2 2 326.401 -1.094 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133251777 787184159 /nfs/dbraw/zinc/18/41/59/787184159.db2.gz BBMOCRNCNVJWCD-ZDUSSCGKSA-N 2 2 336.396 -1.605 20 0 EAADLP COCCOCC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133254385 787184959 /nfs/dbraw/zinc/18/49/59/787184959.db2.gz AEEATIOLUWOGII-AWEZNQCLSA-N 2 2 341.412 -1.174 20 0 EAADLP COCCOCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133254385 787184951 /nfs/dbraw/zinc/18/49/51/787184951.db2.gz AEEATIOLUWOGII-AWEZNQCLSA-N 2 2 341.412 -1.174 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001133254866 787184289 /nfs/dbraw/zinc/18/42/89/787184289.db2.gz GQGIVUDXPPXADX-ZDUSSCGKSA-N 2 2 334.384 -1.546 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001133254866 787184287 /nfs/dbraw/zinc/18/42/87/787184287.db2.gz GQGIVUDXPPXADX-ZDUSSCGKSA-N 2 2 334.384 -1.546 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOCCO ZINC001133255017 787183827 /nfs/dbraw/zinc/18/38/27/787183827.db2.gz IKQFCPLHAYYGDM-ZDUSSCGKSA-N 2 2 327.385 -1.828 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOCCO ZINC001133255017 787183822 /nfs/dbraw/zinc/18/38/22/787183822.db2.gz IKQFCPLHAYYGDM-ZDUSSCGKSA-N 2 2 327.385 -1.828 20 0 EAADLP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255035 787184350 /nfs/dbraw/zinc/18/43/50/787184350.db2.gz IMSXPZYQSYDHKR-ZDUSSCGKSA-N 2 2 338.412 -1.359 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001133255116 787184983 /nfs/dbraw/zinc/18/49/83/787184983.db2.gz KDKVHLOLWRERGD-OLZOCXBDSA-N 2 2 336.396 -1.607 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001133255117 787184860 /nfs/dbraw/zinc/18/48/60/787184860.db2.gz KDKVHLOLWRERGD-STQMWFEESA-N 2 2 336.396 -1.607 20 0 EAADLP CCCNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255509 787184723 /nfs/dbraw/zinc/18/47/23/787184723.db2.gz QESUELHGNNBZME-ZDUSSCGKSA-N 2 2 338.412 -1.311 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133255538 787184257 /nfs/dbraw/zinc/18/42/57/787184257.db2.gz RFAAONHFEBPQML-OLZOCXBDSA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133255538 787184256 /nfs/dbraw/zinc/18/42/56/787184256.db2.gz RFAAONHFEBPQML-OLZOCXBDSA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133255540 787184320 /nfs/dbraw/zinc/18/43/20/787184320.db2.gz RFAAONHFEBPQML-STQMWFEESA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133255540 787184317 /nfs/dbraw/zinc/18/43/17/787184317.db2.gz RFAAONHFEBPQML-STQMWFEESA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133255651 787184638 /nfs/dbraw/zinc/18/46/38/787184638.db2.gz TYZZSBWQXPIZLW-ZDUSSCGKSA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001133255701 787183864 /nfs/dbraw/zinc/18/38/64/787183864.db2.gz UMUMCSJCYGWBLR-GWCFXTLKSA-N 2 2 338.412 -1.361 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001133255701 787183857 /nfs/dbraw/zinc/18/38/57/787183857.db2.gz UMUMCSJCYGWBLR-GWCFXTLKSA-N 2 2 338.412 -1.361 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001133255702 787184338 /nfs/dbraw/zinc/18/43/38/787184338.db2.gz UMUMCSJCYGWBLR-MFKMUULPSA-N 2 2 338.412 -1.361 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001133255702 787184337 /nfs/dbraw/zinc/18/43/37/787184337.db2.gz UMUMCSJCYGWBLR-MFKMUULPSA-N 2 2 338.412 -1.361 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133255726 787184296 /nfs/dbraw/zinc/18/42/96/787184296.db2.gz VOEXXGPJCYLMFO-JTQLQIEISA-N 2 2 339.356 -2.642 20 0 EAADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255768 787184834 /nfs/dbraw/zinc/18/48/34/787184834.db2.gz YLTFFODODAGRBI-OLZOCXBDSA-N 2 2 327.385 -1.830 20 0 EAADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255768 787184829 /nfs/dbraw/zinc/18/48/29/787184829.db2.gz YLTFFODODAGRBI-OLZOCXBDSA-N 2 2 327.385 -1.830 20 0 EAADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255769 787185094 /nfs/dbraw/zinc/18/50/94/787185094.db2.gz YLTFFODODAGRBI-STQMWFEESA-N 2 2 327.385 -1.830 20 0 EAADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255769 787185086 /nfs/dbraw/zinc/18/50/86/787185086.db2.gz YLTFFODODAGRBI-STQMWFEESA-N 2 2 327.385 -1.830 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001133255787 787184282 /nfs/dbraw/zinc/18/42/82/787184282.db2.gz ZJJGQORNJVWRQY-ZDUSSCGKSA-N 2 2 338.412 -1.313 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133286008 787185777 /nfs/dbraw/zinc/18/57/77/787185777.db2.gz SGFTXJIYVDWQQX-UHFFFAOYSA-N 2 2 338.412 -1.094 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)N1CCNC(=O)C1 ZINC001133663049 787197625 /nfs/dbraw/zinc/19/76/25/787197625.db2.gz BMZADHTZWHKOTG-LLVKDONJSA-N 2 2 348.407 -1.506 20 0 EAADLP O=C(C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)N1CCNC(=O)C1 ZINC001133663051 787198131 /nfs/dbraw/zinc/19/81/31/787198131.db2.gz BMZADHTZWHKOTG-NSHDSACASA-N 2 2 348.407 -1.506 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133863255 787207725 /nfs/dbraw/zinc/20/77/25/787207725.db2.gz KNSJVPKMGGSKDO-GHMZBOCLSA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133863255 787207718 /nfs/dbraw/zinc/20/77/18/787207718.db2.gz KNSJVPKMGGSKDO-GHMZBOCLSA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133863256 787206130 /nfs/dbraw/zinc/20/61/30/787206130.db2.gz KNSJVPKMGGSKDO-MNOVXSKESA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133863256 787206119 /nfs/dbraw/zinc/20/61/19/787206119.db2.gz KNSJVPKMGGSKDO-MNOVXSKESA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133863257 787207704 /nfs/dbraw/zinc/20/77/04/787207704.db2.gz KNSJVPKMGGSKDO-QWRGUYRKSA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133863257 787207695 /nfs/dbraw/zinc/20/76/95/787207695.db2.gz KNSJVPKMGGSKDO-QWRGUYRKSA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133863258 787207030 /nfs/dbraw/zinc/20/70/30/787207030.db2.gz KNSJVPKMGGSKDO-WDEREUQCSA-N 2 2 338.412 -1.238 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133863258 787207021 /nfs/dbraw/zinc/20/70/21/787207021.db2.gz KNSJVPKMGGSKDO-WDEREUQCSA-N 2 2 338.412 -1.238 20 0 EAADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1)[NH+](C)C ZINC001133966213 787214393 /nfs/dbraw/zinc/21/43/93/787214393.db2.gz XTTOISUIXCCLOT-JTQLQIEISA-N 2 2 326.401 -1.096 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134042283 787218843 /nfs/dbraw/zinc/21/88/43/787218843.db2.gz CISATXCSRJLURJ-GHMZBOCLSA-N 2 2 329.426 -1.221 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134043063 787218332 /nfs/dbraw/zinc/21/83/32/787218332.db2.gz RJVQHCJFUZTUOA-GHMZBOCLSA-N 2 2 334.380 -1.219 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134049748 787218241 /nfs/dbraw/zinc/21/82/41/787218241.db2.gz MWPPOJNJGCXKFG-VXGBXAGGSA-N 2 2 348.407 -1.812 20 0 EAADLP C[C@H](COCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+]1CCCC1 ZINC001134054961 787219765 /nfs/dbraw/zinc/21/97/65/787219765.db2.gz XGJNJVUTGIEROC-GFCCVEGCSA-N 2 2 340.428 -1.185 20 0 EAADLP C[C@@H](COCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+]1CCCC1 ZINC001134054962 787217989 /nfs/dbraw/zinc/21/79/89/787217989.db2.gz XGJNJVUTGIEROC-LBPRGKRZSA-N 2 2 340.428 -1.185 20 0 EAADLP CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134393166 787233228 /nfs/dbraw/zinc/23/32/28/787233228.db2.gz LDHWEOIJHNWADV-UHFFFAOYSA-N 2 2 338.412 -1.311 20 0 EAADLP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001134396616 787233412 /nfs/dbraw/zinc/23/34/12/787233412.db2.gz BBSZQVIZNRBMGY-UHFFFAOYSA-N 2 2 336.396 -1.651 20 0 EAADLP COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396893 787233264 /nfs/dbraw/zinc/23/32/64/787233264.db2.gz HUUBERWPECUMTN-UHFFFAOYSA-N 2 2 347.441 -1.386 20 0 EAADLP CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001134397542 787231507 /nfs/dbraw/zinc/23/15/07/787231507.db2.gz QHEGGIAFGRPAOI-LLVKDONJSA-N 2 2 329.426 -1.061 20 0 EAADLP CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001134397633 787232358 /nfs/dbraw/zinc/23/23/58/787232358.db2.gz QHEGGIAFGRPAOI-NSHDSACASA-N 2 2 329.426 -1.061 20 0 EAADLP NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001134397732 787231881 /nfs/dbraw/zinc/23/18/81/787231881.db2.gz VNKOMYKNYUWQGZ-UHFFFAOYSA-N 2 2 336.396 -1.618 20 0 EAADLP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399515 787233979 /nfs/dbraw/zinc/23/39/79/787233979.db2.gz BFVFSMHPCILKGN-UHFFFAOYSA-N 2 2 338.412 -1.357 20 0 EAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NCC(=O)N1CCCC1 ZINC001134400985 787233118 /nfs/dbraw/zinc/23/31/18/787233118.db2.gz RQIXSFSNIDURDV-UHFFFAOYSA-N 2 2 336.396 -1.603 20 0 EAADLP NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001134401025 787234052 /nfs/dbraw/zinc/23/40/52/787234052.db2.gz UOKLOPZOGHZKNK-LLVKDONJSA-N 2 2 336.396 -1.618 20 0 EAADLP NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001134401026 787233674 /nfs/dbraw/zinc/23/36/74/787233674.db2.gz UOKLOPZOGHZKNK-NSHDSACASA-N 2 2 336.396 -1.618 20 0 EAADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134401317 787233593 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CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001135760080 787317690 /nfs/dbraw/zinc/31/76/90/787317690.db2.gz IKLFRUYLLQXHIY-UHFFFAOYSA-N 2 2 336.396 -1.651 20 0 EAADLP COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760930 787317659 /nfs/dbraw/zinc/31/76/59/787317659.db2.gz VYTBIJNWTVMDTB-UHFFFAOYSA-N 2 2 347.441 -1.386 20 0 EAADLP NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001135765892 787318400 /nfs/dbraw/zinc/31/84/00/787318400.db2.gz AJINTEOJKQNSPB-LLVKDONJSA-N 2 2 336.396 -1.618 20 0 EAADLP NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001135765893 787318525 /nfs/dbraw/zinc/31/85/25/787318525.db2.gz AJINTEOJKQNSPB-NSHDSACASA-N 2 2 336.396 -1.618 20 0 EAADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766063 787318471 /nfs/dbraw/zinc/31/84/71/787318471.db2.gz HIYXVTQPNUICGM-JTQLQIEISA-N 2 2 340.384 -1.481 20 0 EAADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766064 787319396 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C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001147298819 787534659 /nfs/dbraw/zinc/53/46/59/787534659.db2.gz WPZDBMJNDPVQAA-NSHDSACASA-N 2 2 339.396 -1.954 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001147298819 787534655 /nfs/dbraw/zinc/53/46/55/787534655.db2.gz WPZDBMJNDPVQAA-NSHDSACASA-N 2 2 339.396 -1.954 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615027 787552312 /nfs/dbraw/zinc/55/23/12/787552312.db2.gz NSSHBJUJILKBRN-UHFFFAOYSA-N 2 2 331.336 -1.218 20 0 EAADLP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001147848904 787568826 /nfs/dbraw/zinc/56/88/26/787568826.db2.gz YSRDOBNCJNMHDJ-UHFFFAOYSA-N 2 2 336.396 -1.193 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001147871562 787567753 /nfs/dbraw/zinc/56/77/53/787567753.db2.gz BXHIYZHCJJYBEQ-UHFFFAOYSA-N 2 2 329.426 -1.296 20 0 EAADLP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871670 787568792 /nfs/dbraw/zinc/56/87/92/787568792.db2.gz HQYIMHDCNJKLGV-UHFFFAOYSA-N 2 2 331.442 -1.002 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001147871869 787568778 /nfs/dbraw/zinc/56/87/78/787568778.db2.gz PRTGTDYKVCHUON-GFCCVEGCSA-N 2 2 343.453 -1.050 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001147871870 787568396 /nfs/dbraw/zinc/56/83/96/787568396.db2.gz PRTGTDYKVCHUON-LBPRGKRZSA-N 2 2 343.453 -1.050 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001147877869 787567467 /nfs/dbraw/zinc/56/74/67/787567467.db2.gz OLWKZNSYGKJSNL-GFCCVEGCSA-N 2 2 337.380 -1.822 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001147877870 787567630 /nfs/dbraw/zinc/56/76/30/787567630.db2.gz OLWKZNSYGKJSNL-LBPRGKRZSA-N 2 2 337.380 -1.822 20 0 EAADLP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147878144 787568153 /nfs/dbraw/zinc/56/81/53/787568153.db2.gz UHKYVMZVODOXAH-UHFFFAOYSA-N 2 2 331.442 -1.050 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147893463 787567909 /nfs/dbraw/zinc/56/79/09/787567909.db2.gz QTAJBZPGOFDQDF-UHFFFAOYSA-N 2 2 342.400 -1.858 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147899379 787569511 /nfs/dbraw/zinc/56/95/11/787569511.db2.gz URLJBSXHVSTNCR-UHFFFAOYSA-N 2 2 334.380 -1.079 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147899379 787569501 /nfs/dbraw/zinc/56/95/01/787569501.db2.gz URLJBSXHVSTNCR-UHFFFAOYSA-N 2 2 334.380 -1.079 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147900899 787570404 /nfs/dbraw/zinc/57/04/04/787570404.db2.gz YIYVAJPJPZTJIG-LLVKDONJSA-N 2 2 338.412 -1.094 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147900899 787570398 /nfs/dbraw/zinc/57/03/98/787570398.db2.gz YIYVAJPJPZTJIG-LLVKDONJSA-N 2 2 338.412 -1.094 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147900900 787570289 /nfs/dbraw/zinc/57/02/89/787570289.db2.gz YIYVAJPJPZTJIG-NSHDSACASA-N 2 2 338.412 -1.094 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147900900 787570284 /nfs/dbraw/zinc/57/02/84/787570284.db2.gz YIYVAJPJPZTJIG-NSHDSACASA-N 2 2 338.412 -1.094 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001147915659 787570635 /nfs/dbraw/zinc/57/06/35/787570635.db2.gz NYAFNSKXRCXBHX-LLVKDONJSA-N 2 2 338.412 -1.739 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001147915660 787569927 /nfs/dbraw/zinc/56/99/27/787569927.db2.gz NYAFNSKXRCXBHX-NSHDSACASA-N 2 2 338.412 -1.739 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001147915671 787570011 /nfs/dbraw/zinc/57/00/11/787570011.db2.gz OGIMDNJZZOUOTI-UHFFFAOYSA-N 2 2 336.396 -1.001 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001147916326 787571111 /nfs/dbraw/zinc/57/11/11/787571111.db2.gz WRCDSGYOZHRMJW-UHFFFAOYSA-N 2 2 334.380 -1.734 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147994623 787571591 /nfs/dbraw/zinc/57/15/91/787571591.db2.gz MGZDWMNUYAEBEC-UHFFFAOYSA-N 2 2 336.396 -1.340 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148220936 787579084 /nfs/dbraw/zinc/57/90/84/787579084.db2.gz NHQQIFGKQDABGE-AWEZNQCLSA-N 2 2 335.408 -1.017 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148220936 787579077 /nfs/dbraw/zinc/57/90/77/787579077.db2.gz NHQQIFGKQDABGE-AWEZNQCLSA-N 2 2 335.408 -1.017 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148220936 787579072 /nfs/dbraw/zinc/57/90/72/787579072.db2.gz NHQQIFGKQDABGE-AWEZNQCLSA-N 2 2 335.408 -1.017 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148220936 787579066 /nfs/dbraw/zinc/57/90/66/787579066.db2.gz NHQQIFGKQDABGE-AWEZNQCLSA-N 2 2 335.408 -1.017 20 0 EAADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001148655066 787593062 /nfs/dbraw/zinc/59/30/62/787593062.db2.gz HGQAWOKUGPWMAU-UHFFFAOYSA-N 2 2 326.401 -1.094 20 0 EAADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001148655066 787593056 /nfs/dbraw/zinc/59/30/56/787593056.db2.gz HGQAWOKUGPWMAU-UHFFFAOYSA-N 2 2 326.401 -1.094 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148747980 787598618 /nfs/dbraw/zinc/59/86/18/787598618.db2.gz GAQSPIKLKVFFQH-UHFFFAOYSA-N 2 2 334.380 -1.079 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148747980 787598614 /nfs/dbraw/zinc/59/86/14/787598614.db2.gz GAQSPIKLKVFFQH-UHFFFAOYSA-N 2 2 334.380 -1.079 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148905867 787600100 /nfs/dbraw/zinc/60/01/00/787600100.db2.gz QZSLEWYMZXBBPZ-UHFFFAOYSA-N 2 2 341.437 -1.033 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148905867 787600097 /nfs/dbraw/zinc/60/00/97/787600097.db2.gz QZSLEWYMZXBBPZ-UHFFFAOYSA-N 2 2 341.437 -1.033 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001149129665 785367489 /nfs/dbraw/zinc/36/74/89/785367489.db2.gz HQPHAEYLOQZQND-LLVKDONJSA-N 2 2 337.380 -1.524 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001149129668 785367712 /nfs/dbraw/zinc/36/77/12/785367712.db2.gz HQPHAEYLOQZQND-NSHDSACASA-N 2 2 337.380 -1.524 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001149133996 785226747 /nfs/dbraw/zinc/22/67/47/785226747.db2.gz DGHUUOPJKBATFJ-UHFFFAOYSA-N 2 2 334.380 -1.436 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001149134850 785253878 /nfs/dbraw/zinc/25/38/78/785253878.db2.gz NGPWPZJYTBZTAG-LLVKDONJSA-N 2 2 338.412 -1.441 20 0 EAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001149134852 785254388 /nfs/dbraw/zinc/25/43/88/785254388.db2.gz NGPWPZJYTBZTAG-NSHDSACASA-N 2 2 338.412 -1.441 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397438 793067637 /nfs/dbraw/zinc/06/76/37/793067637.db2.gz BREKDDUUMTZXBY-NEPJUHHUSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397438 793067624 /nfs/dbraw/zinc/06/76/24/793067624.db2.gz BREKDDUUMTZXBY-NEPJUHHUSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397438 793067617 /nfs/dbraw/zinc/06/76/17/793067617.db2.gz BREKDDUUMTZXBY-NEPJUHHUSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397438 793067604 /nfs/dbraw/zinc/06/76/04/793067604.db2.gz BREKDDUUMTZXBY-NEPJUHHUSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397439 793066596 /nfs/dbraw/zinc/06/65/96/793066596.db2.gz BREKDDUUMTZXBY-NWDGAFQWSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397439 793066586 /nfs/dbraw/zinc/06/65/86/793066586.db2.gz BREKDDUUMTZXBY-NWDGAFQWSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397439 793066576 /nfs/dbraw/zinc/06/65/76/793066576.db2.gz BREKDDUUMTZXBY-NWDGAFQWSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397439 793066571 /nfs/dbraw/zinc/06/65/71/793066571.db2.gz BREKDDUUMTZXBY-NWDGAFQWSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397440 793065643 /nfs/dbraw/zinc/06/56/43/793065643.db2.gz BREKDDUUMTZXBY-RYUDHWBXSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397440 793065635 /nfs/dbraw/zinc/06/56/35/793065635.db2.gz BREKDDUUMTZXBY-RYUDHWBXSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397440 793065624 /nfs/dbraw/zinc/06/56/24/793065624.db2.gz BREKDDUUMTZXBY-RYUDHWBXSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397440 793065614 /nfs/dbraw/zinc/06/56/14/793065614.db2.gz BREKDDUUMTZXBY-RYUDHWBXSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397441 793066732 /nfs/dbraw/zinc/06/67/32/793066732.db2.gz BREKDDUUMTZXBY-VXGBXAGGSA-N 2 2 341.412 -1.517 20 0 EAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149397441 793066722 /nfs/dbraw/zinc/06/67/22/793066722.db2.gz BREKDDUUMTZXBY-VXGBXAGGSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397441 793066712 /nfs/dbraw/zinc/06/67/12/793066712.db2.gz BREKDDUUMTZXBY-VXGBXAGGSA-N 2 2 341.412 -1.517 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001149397441 793066700 /nfs/dbraw/zinc/06/67/00/793066700.db2.gz BREKDDUUMTZXBY-VXGBXAGGSA-N 2 2 341.412 -1.517 20 0 EAADLP CN(CC[NH2+]CCNC(=O)CCc1c[nH+]cn1C)S(C)(=O)=O ZINC001149558402 793084587 /nfs/dbraw/zinc/08/45/87/793084587.db2.gz IZAGREDWCDDLCP-UHFFFAOYSA-N 2 2 331.442 -1.050 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001149559688 793083407 /nfs/dbraw/zinc/08/34/07/793083407.db2.gz WIBYSSQRUCPRLP-UHFFFAOYSA-N 2 2 336.396 -1.983 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001149571000 793084414 /nfs/dbraw/zinc/08/44/14/793084414.db2.gz KMGWZUFIQXNBRQ-UHFFFAOYSA-N 2 2 348.407 -1.344 20 0 EAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571108 793084501 /nfs/dbraw/zinc/08/45/01/793084501.db2.gz OZFCLRAGRINVNY-UHFFFAOYSA-N 2 2 331.442 -1.002 20 0 EAADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001149886777 793117856 /nfs/dbraw/zinc/11/78/56/793117856.db2.gz CAKYCZVHBPHEMF-NWDGAFQWSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001149886777 793117849 /nfs/dbraw/zinc/11/78/49/793117849.db2.gz CAKYCZVHBPHEMF-NWDGAFQWSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001149886778 793118337 /nfs/dbraw/zinc/11/83/37/793118337.db2.gz CAKYCZVHBPHEMF-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001149886778 793118329 /nfs/dbraw/zinc/11/83/29/793118329.db2.gz CAKYCZVHBPHEMF-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150193420 793136822 /nfs/dbraw/zinc/13/68/22/793136822.db2.gz MPTHKEDXIFQXRH-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150193420 793136816 /nfs/dbraw/zinc/13/68/16/793136816.db2.gz MPTHKEDXIFQXRH-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP C[NH+](C)CCCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150193421 793137066 /nfs/dbraw/zinc/13/70/66/793137066.db2.gz MPTHKEDXIFQXRH-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150193421 793137061 /nfs/dbraw/zinc/13/70/61/793137061.db2.gz MPTHKEDXIFQXRH-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150223666 793143324 /nfs/dbraw/zinc/14/33/24/793143324.db2.gz CYQWYZIYALMAKY-GFCCVEGCSA-N 2 2 343.428 -1.399 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150223666 793143321 /nfs/dbraw/zinc/14/33/21/793143321.db2.gz CYQWYZIYALMAKY-GFCCVEGCSA-N 2 2 343.428 -1.399 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150223667 793143363 /nfs/dbraw/zinc/14/33/63/793143363.db2.gz CYQWYZIYALMAKY-LBPRGKRZSA-N 2 2 343.428 -1.399 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150223667 793143361 /nfs/dbraw/zinc/14/33/61/793143361.db2.gz CYQWYZIYALMAKY-LBPRGKRZSA-N 2 2 343.428 -1.399 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150225616 793143663 /nfs/dbraw/zinc/14/36/63/793143663.db2.gz UKEAKSCPMLFQKH-LLVKDONJSA-N 2 2 329.401 -1.660 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150225616 793143658 /nfs/dbraw/zinc/14/36/58/793143658.db2.gz UKEAKSCPMLFQKH-LLVKDONJSA-N 2 2 329.401 -1.660 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150225617 793143629 /nfs/dbraw/zinc/14/36/29/793143629.db2.gz UKEAKSCPMLFQKH-NSHDSACASA-N 2 2 329.401 -1.660 20 0 EAADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150225617 793143627 /nfs/dbraw/zinc/14/36/27/793143627.db2.gz UKEAKSCPMLFQKH-NSHDSACASA-N 2 2 329.401 -1.660 20 0 EAADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001150350243 793152734 /nfs/dbraw/zinc/15/27/34/793152734.db2.gz CAKYCZVHBPHEMF-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001150350243 793152730 /nfs/dbraw/zinc/15/27/30/793152730.db2.gz CAKYCZVHBPHEMF-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001150350244 793152042 /nfs/dbraw/zinc/15/20/42/793152042.db2.gz CAKYCZVHBPHEMF-RYUDHWBXSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1)[NH+](C)C ZINC001150350244 793152035 /nfs/dbraw/zinc/15/20/35/793152035.db2.gz CAKYCZVHBPHEMF-RYUDHWBXSA-N 2 2 343.428 -1.271 20 0 EAADLP NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451866 793165373 /nfs/dbraw/zinc/16/53/73/793165373.db2.gz ATDVFBLRUQSXEO-CYBMUJFWSA-N 2 2 328.413 -1.599 20 0 EAADLP NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451866 793165368 /nfs/dbraw/zinc/16/53/68/793165368.db2.gz ATDVFBLRUQSXEO-CYBMUJFWSA-N 2 2 328.413 -1.599 20 0 EAADLP NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451867 793164847 /nfs/dbraw/zinc/16/48/47/793164847.db2.gz ATDVFBLRUQSXEO-ZDUSSCGKSA-N 2 2 328.413 -1.599 20 0 EAADLP NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451867 793164843 /nfs/dbraw/zinc/16/48/43/793164843.db2.gz ATDVFBLRUQSXEO-ZDUSSCGKSA-N 2 2 328.413 -1.599 20 0 EAADLP CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451894 793165845 /nfs/dbraw/zinc/16/58/45/793165845.db2.gz BIVHZRSYWSPVNS-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451894 793165839 /nfs/dbraw/zinc/16/58/39/793165839.db2.gz BIVHZRSYWSPVNS-AWEZNQCLSA-N 2 2 342.440 -1.338 20 0 EAADLP CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451895 793165627 /nfs/dbraw/zinc/16/56/27/793165627.db2.gz BIVHZRSYWSPVNS-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150451895 793165622 /nfs/dbraw/zinc/16/56/22/793165622.db2.gz BIVHZRSYWSPVNS-CQSZACIVSA-N 2 2 342.440 -1.338 20 0 EAADLP C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461866 793167270 /nfs/dbraw/zinc/16/72/70/793167270.db2.gz KOHMGTIWPYZKKK-KBPBESRZSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461866 793167262 /nfs/dbraw/zinc/16/72/62/793167262.db2.gz KOHMGTIWPYZKKK-KBPBESRZSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461867 793167306 /nfs/dbraw/zinc/16/73/06/793167306.db2.gz KOHMGTIWPYZKKK-KGLIPLIRSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461867 793167301 /nfs/dbraw/zinc/16/73/01/793167301.db2.gz KOHMGTIWPYZKKK-KGLIPLIRSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461868 793167947 /nfs/dbraw/zinc/16/79/47/793167947.db2.gz KOHMGTIWPYZKKK-UONOGXRCSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461868 793167941 /nfs/dbraw/zinc/16/79/41/793167941.db2.gz KOHMGTIWPYZKKK-UONOGXRCSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461869 793168031 /nfs/dbraw/zinc/16/80/31/793168031.db2.gz KOHMGTIWPYZKKK-ZIAGYGMSSA-N 2 2 342.440 -1.210 20 0 EAADLP C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150461869 793168026 /nfs/dbraw/zinc/16/80/26/793168026.db2.gz KOHMGTIWPYZKKK-ZIAGYGMSSA-N 2 2 342.440 -1.210 20 0 EAADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150481079 793169449 /nfs/dbraw/zinc/16/94/49/793169449.db2.gz VKJDIIYDCGZNFD-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150481079 793169443 /nfs/dbraw/zinc/16/94/43/793169443.db2.gz VKJDIIYDCGZNFD-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150481080 793168978 /nfs/dbraw/zinc/16/89/78/793168978.db2.gz VKJDIIYDCGZNFD-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150481080 793168971 /nfs/dbraw/zinc/16/89/71/793168971.db2.gz VKJDIIYDCGZNFD-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP C[NH+]1CCC(OCC(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)CC1 ZINC001150508725 793168916 /nfs/dbraw/zinc/16/89/16/793168916.db2.gz VXFJAEDGLUXDIX-AWEZNQCLSA-N 2 2 342.440 -1.210 20 0 EAADLP C[NH+]1CCC(OCC(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)CC1 ZINC001150508725 793168911 /nfs/dbraw/zinc/16/89/11/793168911.db2.gz VXFJAEDGLUXDIX-AWEZNQCLSA-N 2 2 342.440 -1.210 20 0 EAADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)CC1 ZINC001150508726 793169347 /nfs/dbraw/zinc/16/93/47/793169347.db2.gz VXFJAEDGLUXDIX-CQSZACIVSA-N 2 2 342.440 -1.210 20 0 EAADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)CC1 ZINC001150508726 793169341 /nfs/dbraw/zinc/16/93/41/793169341.db2.gz VXFJAEDGLUXDIX-CQSZACIVSA-N 2 2 342.440 -1.210 20 0 EAADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150547399 793173441 /nfs/dbraw/zinc/17/34/41/793173441.db2.gz RUJOGIFTFCUKBM-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150547399 793173438 /nfs/dbraw/zinc/17/34/38/793173438.db2.gz RUJOGIFTFCUKBM-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150547399 793173434 /nfs/dbraw/zinc/17/34/34/793173434.db2.gz RUJOGIFTFCUKBM-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150547399 793173432 /nfs/dbraw/zinc/17/34/32/793173432.db2.gz RUJOGIFTFCUKBM-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150547400 793174265 /nfs/dbraw/zinc/17/42/65/793174265.db2.gz RUJOGIFTFCUKBM-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150547400 793174260 /nfs/dbraw/zinc/17/42/60/793174260.db2.gz RUJOGIFTFCUKBM-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150547400 793174247 /nfs/dbraw/zinc/17/42/47/793174247.db2.gz RUJOGIFTFCUKBM-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150547400 793174236 /nfs/dbraw/zinc/17/42/36/793174236.db2.gz RUJOGIFTFCUKBM-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587103 793176314 /nfs/dbraw/zinc/17/63/14/793176314.db2.gz DQQLTIBOTSLECV-CYBMUJFWSA-N 2 2 330.429 -1.482 20 0 EAADLP CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587103 793176310 /nfs/dbraw/zinc/17/63/10/793176310.db2.gz DQQLTIBOTSLECV-CYBMUJFWSA-N 2 2 330.429 -1.482 20 0 EAADLP CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587104 793176302 /nfs/dbraw/zinc/17/63/02/793176302.db2.gz DQQLTIBOTSLECV-ZDUSSCGKSA-N 2 2 330.429 -1.482 20 0 EAADLP CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587104 793176299 /nfs/dbraw/zinc/17/62/99/793176299.db2.gz DQQLTIBOTSLECV-ZDUSSCGKSA-N 2 2 330.429 -1.482 20 0 EAADLP CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588679 787863033 /nfs/dbraw/zinc/86/30/33/787863033.db2.gz QVARRNRLJGEYIP-AWEZNQCLSA-N 2 2 344.456 -1.092 20 0 EAADLP CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588679 787863027 /nfs/dbraw/zinc/86/30/27/787863027.db2.gz QVARRNRLJGEYIP-AWEZNQCLSA-N 2 2 344.456 -1.092 20 0 EAADLP CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588680 787863454 /nfs/dbraw/zinc/86/34/54/787863454.db2.gz QVARRNRLJGEYIP-CQSZACIVSA-N 2 2 344.456 -1.092 20 0 EAADLP CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588680 787863446 /nfs/dbraw/zinc/86/34/46/787863446.db2.gz QVARRNRLJGEYIP-CQSZACIVSA-N 2 2 344.456 -1.092 20 0 EAADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150620555 793177956 /nfs/dbraw/zinc/17/79/56/793177956.db2.gz RHZQHMRQBCXDLV-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150620555 793177949 /nfs/dbraw/zinc/17/79/49/793177949.db2.gz RHZQHMRQBCXDLV-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150620555 793177940 /nfs/dbraw/zinc/17/79/40/793177940.db2.gz RHZQHMRQBCXDLV-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150620555 793177932 /nfs/dbraw/zinc/17/79/32/793177932.db2.gz RHZQHMRQBCXDLV-GFCCVEGCSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150620556 793178802 /nfs/dbraw/zinc/17/88/02/793178802.db2.gz RHZQHMRQBCXDLV-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150620556 793178796 /nfs/dbraw/zinc/17/87/96/793178796.db2.gz RHZQHMRQBCXDLV-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150620556 793178793 /nfs/dbraw/zinc/17/87/93/793178793.db2.gz RHZQHMRQBCXDLV-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150620556 793178787 /nfs/dbraw/zinc/17/87/87/793178787.db2.gz RHZQHMRQBCXDLV-LBPRGKRZSA-N 2 2 343.428 -1.270 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700309 793186193 /nfs/dbraw/zinc/18/61/93/793186193.db2.gz VJPVILSPTCSRRU-NEPJUHHUSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700309 793186189 /nfs/dbraw/zinc/18/61/89/793186189.db2.gz VJPVILSPTCSRRU-NEPJUHHUSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700309 793186183 /nfs/dbraw/zinc/18/61/83/793186183.db2.gz VJPVILSPTCSRRU-NEPJUHHUSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700309 793186177 /nfs/dbraw/zinc/18/61/77/793186177.db2.gz VJPVILSPTCSRRU-NEPJUHHUSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700310 793186109 /nfs/dbraw/zinc/18/61/09/793186109.db2.gz VJPVILSPTCSRRU-NWDGAFQWSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700310 793186104 /nfs/dbraw/zinc/18/61/04/793186104.db2.gz VJPVILSPTCSRRU-NWDGAFQWSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700310 793186099 /nfs/dbraw/zinc/18/60/99/793186099.db2.gz VJPVILSPTCSRRU-NWDGAFQWSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700310 793186092 /nfs/dbraw/zinc/18/60/92/793186092.db2.gz VJPVILSPTCSRRU-NWDGAFQWSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700311 793185681 /nfs/dbraw/zinc/18/56/81/793185681.db2.gz VJPVILSPTCSRRU-RYUDHWBXSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700311 793185676 /nfs/dbraw/zinc/18/56/76/793185676.db2.gz VJPVILSPTCSRRU-RYUDHWBXSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700311 793185668 /nfs/dbraw/zinc/18/56/68/793185668.db2.gz VJPVILSPTCSRRU-RYUDHWBXSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700311 793185659 /nfs/dbraw/zinc/18/56/59/793185659.db2.gz VJPVILSPTCSRRU-RYUDHWBXSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700312 793186604 /nfs/dbraw/zinc/18/66/04/793186604.db2.gz VJPVILSPTCSRRU-VXGBXAGGSA-N 2 2 341.412 -1.660 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700312 793186601 /nfs/dbraw/zinc/18/66/01/793186601.db2.gz VJPVILSPTCSRRU-VXGBXAGGSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700312 793186596 /nfs/dbraw/zinc/18/65/96/793186596.db2.gz VJPVILSPTCSRRU-VXGBXAGGSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)CCCO2)C1 ZINC001150700312 793186591 /nfs/dbraw/zinc/18/65/91/793186591.db2.gz VJPVILSPTCSRRU-VXGBXAGGSA-N 2 2 341.412 -1.660 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717523 793186343 /nfs/dbraw/zinc/18/63/43/793186343.db2.gz XUZWBQRBYZPDQO-GFCCVEGCSA-N 2 2 341.412 -1.516 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717523 793186341 /nfs/dbraw/zinc/18/63/41/793186341.db2.gz XUZWBQRBYZPDQO-GFCCVEGCSA-N 2 2 341.412 -1.516 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717524 793186213 /nfs/dbraw/zinc/18/62/13/793186213.db2.gz XUZWBQRBYZPDQO-LBPRGKRZSA-N 2 2 341.412 -1.516 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717524 793186211 /nfs/dbraw/zinc/18/62/11/793186211.db2.gz XUZWBQRBYZPDQO-LBPRGKRZSA-N 2 2 341.412 -1.516 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150722965 793186477 /nfs/dbraw/zinc/18/64/77/793186477.db2.gz JCXVPBGLMGOILR-KBPBESRZSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150722965 793186474 /nfs/dbraw/zinc/18/64/74/793186474.db2.gz JCXVPBGLMGOILR-KBPBESRZSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150722966 793186698 /nfs/dbraw/zinc/18/66/98/793186698.db2.gz JCXVPBGLMGOILR-KGLIPLIRSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150722966 793186695 /nfs/dbraw/zinc/18/66/95/793186695.db2.gz JCXVPBGLMGOILR-KGLIPLIRSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150722967 793185910 /nfs/dbraw/zinc/18/59/10/793185910.db2.gz JCXVPBGLMGOILR-UONOGXRCSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150722967 793185905 /nfs/dbraw/zinc/18/59/05/793185905.db2.gz JCXVPBGLMGOILR-UONOGXRCSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150722969 793186506 /nfs/dbraw/zinc/18/65/06/793186506.db2.gz JCXVPBGLMGOILR-ZIAGYGMSSA-N 2 2 342.440 -1.353 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150722969 793186490 /nfs/dbraw/zinc/18/64/90/793186490.db2.gz JCXVPBGLMGOILR-ZIAGYGMSSA-N 2 2 342.440 -1.353 20 0 EAADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150777428 793187995 /nfs/dbraw/zinc/18/79/95/793187995.db2.gz FBGAEIGEJMFEKG-GFCCVEGCSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150777428 793187989 /nfs/dbraw/zinc/18/79/89/793187989.db2.gz FBGAEIGEJMFEKG-GFCCVEGCSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150777428 793187985 /nfs/dbraw/zinc/18/79/85/793187985.db2.gz FBGAEIGEJMFEKG-GFCCVEGCSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150777428 793187982 /nfs/dbraw/zinc/18/79/82/793187982.db2.gz FBGAEIGEJMFEKG-GFCCVEGCSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150777431 793188408 /nfs/dbraw/zinc/18/84/08/793188408.db2.gz FBGAEIGEJMFEKG-LBPRGKRZSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001150777431 793188402 /nfs/dbraw/zinc/18/84/02/793188402.db2.gz FBGAEIGEJMFEKG-LBPRGKRZSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150777431 793188396 /nfs/dbraw/zinc/18/83/96/793188396.db2.gz FBGAEIGEJMFEKG-LBPRGKRZSA-N 2 2 343.428 -1.271 20 0 EAADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(=O)NC(N)=O)CCCO1 ZINC001150777431 793188391 /nfs/dbraw/zinc/18/83/91/793188391.db2.gz FBGAEIGEJMFEKG-LBPRGKRZSA-N 2 2 343.428 -1.271 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001151159375 793199286 /nfs/dbraw/zinc/19/92/86/793199286.db2.gz SRFQDBMFVBEQON-LLVKDONJSA-N 2 2 326.401 -1.718 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001151159380 793198741 /nfs/dbraw/zinc/19/87/41/793198741.db2.gz SRFQDBMFVBEQON-NSHDSACASA-N 2 2 326.401 -1.718 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001151159878 793198479 /nfs/dbraw/zinc/19/84/79/793198479.db2.gz UVTFTFZCXQUDSJ-NEPJUHHUSA-N 2 2 325.417 -1.055 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1nnnn1C ZINC001151159881 793199793 /nfs/dbraw/zinc/19/97/93/793199793.db2.gz UVTFTFZCXQUDSJ-NWDGAFQWSA-N 2 2 325.417 -1.055 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001151159884 793199139 /nfs/dbraw/zinc/19/91/39/793199139.db2.gz UVTFTFZCXQUDSJ-RYUDHWBXSA-N 2 2 325.417 -1.055 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001151159887 793199570 /nfs/dbraw/zinc/19/95/70/793199570.db2.gz UVTFTFZCXQUDSJ-VXGBXAGGSA-N 2 2 325.417 -1.055 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001151739398 793214288 /nfs/dbraw/zinc/21/42/88/793214288.db2.gz LWDUUUBRSJJOBZ-JTQLQIEISA-N 2 2 342.425 -1.097 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001151739398 793214286 /nfs/dbraw/zinc/21/42/86/793214286.db2.gz LWDUUUBRSJJOBZ-JTQLQIEISA-N 2 2 342.425 -1.097 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001151739399 793216029 /nfs/dbraw/zinc/21/60/29/793216029.db2.gz LWDUUUBRSJJOBZ-SNVBAGLBSA-N 2 2 342.425 -1.097 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001151739399 793216025 /nfs/dbraw/zinc/21/60/25/793216025.db2.gz LWDUUUBRSJJOBZ-SNVBAGLBSA-N 2 2 342.425 -1.097 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151748871 793215807 /nfs/dbraw/zinc/21/58/07/793215807.db2.gz LCHCAELFBHYYEH-GFCCVEGCSA-N 2 2 338.412 -1.265 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151748871 793215802 /nfs/dbraw/zinc/21/58/02/793215802.db2.gz LCHCAELFBHYYEH-GFCCVEGCSA-N 2 2 338.412 -1.265 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151748874 793215645 /nfs/dbraw/zinc/21/56/45/793215645.db2.gz LCHCAELFBHYYEH-LBPRGKRZSA-N 2 2 338.412 -1.265 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151748874 793215638 /nfs/dbraw/zinc/21/56/38/793215638.db2.gz LCHCAELFBHYYEH-LBPRGKRZSA-N 2 2 338.412 -1.265 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001151749229 793218374 /nfs/dbraw/zinc/21/83/74/793218374.db2.gz SLDYLIHFWOPADC-GFCCVEGCSA-N 2 2 336.396 -1.158 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001151749229 793218370 /nfs/dbraw/zinc/21/83/70/793218370.db2.gz SLDYLIHFWOPADC-GFCCVEGCSA-N 2 2 336.396 -1.158 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001151749230 793216871 /nfs/dbraw/zinc/21/68/71/793216871.db2.gz SLDYLIHFWOPADC-LBPRGKRZSA-N 2 2 336.396 -1.158 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001151749230 793216864 /nfs/dbraw/zinc/21/68/64/793216864.db2.gz SLDYLIHFWOPADC-LBPRGKRZSA-N 2 2 336.396 -1.158 20 0 EAADLP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814526 790565003 /nfs/dbraw/zinc/56/50/03/790565003.db2.gz HUNFBTBSSDLDFZ-AWEZNQCLSA-N 2 2 339.440 -1.172 20 0 EAADLP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814527 790564950 /nfs/dbraw/zinc/56/49/50/790564950.db2.gz HUNFBTBSSDLDFZ-CQSZACIVSA-N 2 2 339.440 -1.172 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152431726 793234969 /nfs/dbraw/zinc/23/49/69/793234969.db2.gz BTQBJDWSXZZOOL-UHFFFAOYSA-N 2 2 326.401 -1.096 20 0 EAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152431726 793234958 /nfs/dbraw/zinc/23/49/58/793234958.db2.gz BTQBJDWSXZZOOL-UHFFFAOYSA-N 2 2 326.401 -1.096 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152551997 793235872 /nfs/dbraw/zinc/23/58/72/793235872.db2.gz WCSKYLSLPCWTPU-GHMZBOCLSA-N 2 2 329.401 -1.662 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152551997 793235862 /nfs/dbraw/zinc/23/58/62/793235862.db2.gz WCSKYLSLPCWTPU-GHMZBOCLSA-N 2 2 329.401 -1.662 20 0 EAADLP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551997 793235854 /nfs/dbraw/zinc/23/58/54/793235854.db2.gz WCSKYLSLPCWTPU-GHMZBOCLSA-N 2 2 329.401 -1.662 20 0 EAADLP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551997 793235850 /nfs/dbraw/zinc/23/58/50/793235850.db2.gz WCSKYLSLPCWTPU-GHMZBOCLSA-N 2 2 329.401 -1.662 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152551998 793236045 /nfs/dbraw/zinc/23/60/45/793236045.db2.gz WCSKYLSLPCWTPU-MNOVXSKESA-N 2 2 329.401 -1.662 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152551998 793236038 /nfs/dbraw/zinc/23/60/38/793236038.db2.gz WCSKYLSLPCWTPU-MNOVXSKESA-N 2 2 329.401 -1.662 20 0 EAADLP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551998 793236032 /nfs/dbraw/zinc/23/60/32/793236032.db2.gz WCSKYLSLPCWTPU-MNOVXSKESA-N 2 2 329.401 -1.662 20 0 EAADLP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551998 793236025 /nfs/dbraw/zinc/23/60/25/793236025.db2.gz WCSKYLSLPCWTPU-MNOVXSKESA-N 2 2 329.401 -1.662 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C)C(=O)NC(N)=O ZINC001152617938 793237802 /nfs/dbraw/zinc/23/78/02/793237802.db2.gz GCOLNMRBPFCLPM-PWSUYJOCSA-N 2 2 336.396 -1.027 20 0 EAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C)C(=O)NC(N)=O ZINC001152617939 793236878 /nfs/dbraw/zinc/23/68/78/793236878.db2.gz GCOLNMRBPFCLPM-ZYHUDNBSSA-N 2 2 336.396 -1.027 20 0 EAADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cccnc1 ZINC001152618375 793237833 /nfs/dbraw/zinc/23/78/33/793237833.db2.gz LZRWMJNDEPDRAP-AWEZNQCLSA-N 2 2 348.407 -1.058 20 0 EAADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cccnc1 ZINC001152618376 793237345 /nfs/dbraw/zinc/23/73/45/793237345.db2.gz LZRWMJNDEPDRAP-CQSZACIVSA-N 2 2 348.407 -1.058 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152619146 791274111 /nfs/dbraw/zinc/27/41/11/791274111.db2.gz XLBPHNVWLZYKGU-CYBMUJFWSA-N 2 2 336.396 -1.154 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152619147 791273927 /nfs/dbraw/zinc/27/39/27/791273927.db2.gz XLBPHNVWLZYKGU-ZDUSSCGKSA-N 2 2 336.396 -1.154 20 0 EAADLP CC[NH+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152619334 793238206 /nfs/dbraw/zinc/23/82/06/793238206.db2.gz BTXVXQDOOGOSQV-NEPJUHHUSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[NH+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152619334 793238204 /nfs/dbraw/zinc/23/82/04/793238204.db2.gz BTXVXQDOOGOSQV-NEPJUHHUSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152619334 793238199 /nfs/dbraw/zinc/23/81/99/793238199.db2.gz BTXVXQDOOGOSQV-NEPJUHHUSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152619334 793238195 /nfs/dbraw/zinc/23/81/95/793238195.db2.gz BTXVXQDOOGOSQV-NEPJUHHUSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[NH+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152619335 793237136 /nfs/dbraw/zinc/23/71/36/793237136.db2.gz BTXVXQDOOGOSQV-VXGBXAGGSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[NH+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152619335 793237129 /nfs/dbraw/zinc/23/71/29/793237129.db2.gz BTXVXQDOOGOSQV-VXGBXAGGSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152619335 793237122 /nfs/dbraw/zinc/23/71/22/793237122.db2.gz BTXVXQDOOGOSQV-VXGBXAGGSA-N 2 2 343.428 -1.401 20 0 EAADLP CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152619335 793237111 /nfs/dbraw/zinc/23/71/11/793237111.db2.gz BTXVXQDOOGOSQV-VXGBXAGGSA-N 2 2 343.428 -1.401 20 0 EAADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001153344391 793249910 /nfs/dbraw/zinc/24/99/10/793249910.db2.gz BMWUWTIADHZGSM-UHFFFAOYSA-N 2 2 336.396 -1.673 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)n(C)c1=O ZINC001153356597 793250052 /nfs/dbraw/zinc/25/00/52/793250052.db2.gz TVUROSKIGAMENB-UHFFFAOYSA-N 2 2 348.407 -1.033 20 0 EAADLP NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001153495412 793254285 /nfs/dbraw/zinc/25/42/85/793254285.db2.gz IVHWUYNLZHKURT-UHFFFAOYSA-N 2 2 336.396 -1.687 20 0 EAADLP CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153495814 793254028 /nfs/dbraw/zinc/25/40/28/793254028.db2.gz OMYIPXWVCMEMDE-GFCCVEGCSA-N 2 2 329.426 -1.130 20 0 EAADLP CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153495815 793254591 /nfs/dbraw/zinc/25/45/91/793254591.db2.gz OMYIPXWVCMEMDE-LBPRGKRZSA-N 2 2 329.426 -1.130 20 0 EAADLP CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496301 793254867 /nfs/dbraw/zinc/25/48/67/793254867.db2.gz YZWYWPRNRSALLY-UHFFFAOYSA-N 2 2 338.412 -1.380 20 0 EAADLP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001153499916 793253824 /nfs/dbraw/zinc/25/38/24/793253824.db2.gz AAASOXCQRCAHKR-UHFFFAOYSA-N 2 2 336.396 -1.720 20 0 EAADLP COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153499940 793253869 /nfs/dbraw/zinc/25/38/69/793253869.db2.gz ARSOQKNFOQNCSC-UHFFFAOYSA-N 2 2 347.441 -1.455 20 0 EAADLP NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153500007 793253579 /nfs/dbraw/zinc/25/35/79/793253579.db2.gz CGDZVHNGCCJOFG-GFCCVEGCSA-N 2 2 336.396 -1.687 20 0 EAADLP NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153500009 793253202 /nfs/dbraw/zinc/25/32/02/793253202.db2.gz CGDZVHNGCCJOFG-LBPRGKRZSA-N 2 2 336.396 -1.687 20 0 EAADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500354 793254061 /nfs/dbraw/zinc/25/40/61/793254061.db2.gz KOIKTBZBPFVKCB-UHFFFAOYSA-N 2 2 333.396 -1.019 20 0 EAADLP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500471 793253467 /nfs/dbraw/zinc/25/34/67/793253467.db2.gz LPHNBFFGJZRIAM-UHFFFAOYSA-N 2 2 338.412 -1.427 20 0 EAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NCC(=O)N1CCCC1 ZINC001153500835 793253541 /nfs/dbraw/zinc/25/35/41/793253541.db2.gz VXMBTXROSCXGQV-UHFFFAOYSA-N 2 2 336.396 -1.673 20 0 EAADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153507900 793254921 /nfs/dbraw/zinc/25/49/21/793254921.db2.gz NJNZXSBMVJFDDT-LLVKDONJSA-N 2 2 340.384 -1.550 20 0 EAADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153507901 793253773 /nfs/dbraw/zinc/25/37/73/793253773.db2.gz NJNZXSBMVJFDDT-NSHDSACASA-N 2 2 340.384 -1.550 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001156146334 793310337 /nfs/dbraw/zinc/31/03/37/793310337.db2.gz WKHBGUIORQZOJM-GFCCVEGCSA-N 2 2 338.412 -1.265 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001156146334 793310330 /nfs/dbraw/zinc/31/03/30/793310330.db2.gz WKHBGUIORQZOJM-GFCCVEGCSA-N 2 2 338.412 -1.265 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001156146335 793309443 /nfs/dbraw/zinc/30/94/43/793309443.db2.gz WKHBGUIORQZOJM-LBPRGKRZSA-N 2 2 338.412 -1.265 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001156146335 793309434 /nfs/dbraw/zinc/30/94/34/793309434.db2.gz WKHBGUIORQZOJM-LBPRGKRZSA-N 2 2 338.412 -1.265 20 0 EAADLP CS(=O)(=O)c1nc2c(c(-n3cnc(C[NH3+])cc3=N)n1)CC[NH2+]CC2 ZINC001156620423 793315287 /nfs/dbraw/zinc/31/52/87/793315287.db2.gz NNHBHMQFFMYPJJ-UHFFFAOYSA-N 2 2 349.420 -1.308 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157014142 793325189 /nfs/dbraw/zinc/32/51/89/793325189.db2.gz RPCZJNJLHCQIRJ-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157014142 793325181 /nfs/dbraw/zinc/32/51/81/793325181.db2.gz RPCZJNJLHCQIRJ-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157014142 793325171 /nfs/dbraw/zinc/32/51/71/793325171.db2.gz RPCZJNJLHCQIRJ-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157014142 793325165 /nfs/dbraw/zinc/32/51/65/793325165.db2.gz RPCZJNJLHCQIRJ-NEPJUHHUSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157014143 793324993 /nfs/dbraw/zinc/32/49/93/793324993.db2.gz RPCZJNJLHCQIRJ-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157014143 793324983 /nfs/dbraw/zinc/32/49/83/793324983.db2.gz RPCZJNJLHCQIRJ-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157014143 793324974 /nfs/dbraw/zinc/32/49/74/793324974.db2.gz RPCZJNJLHCQIRJ-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157014143 793324963 /nfs/dbraw/zinc/32/49/63/793324963.db2.gz RPCZJNJLHCQIRJ-VXGBXAGGSA-N 2 2 343.428 -1.271 20 0 EAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157082275 793326832 /nfs/dbraw/zinc/32/68/32/793326832.db2.gz JRXRRXXGROAKSD-MNOVXSKESA-N 2 2 340.384 -1.224 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001157257512 793329818 /nfs/dbraw/zinc/32/98/18/793329818.db2.gz RWZZXJWDGVJLFW-UHFFFAOYSA-N 2 2 336.396 -1.603 20 0 EAADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157302926 793329989 /nfs/dbraw/zinc/32/99/89/793329989.db2.gz CDACUBJXRITAFO-AVGNSLFASA-N 2 2 333.392 -2.138 20 0 EAADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157303254 793329111 /nfs/dbraw/zinc/32/91/11/793329111.db2.gz FXXURYIIRKHWAH-AGIUHOORSA-N 2 2 333.392 -1.995 20 0 EAADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001157303256 793329339 /nfs/dbraw/zinc/32/93/39/793329339.db2.gz FXXURYIIRKHWAH-AVGNSLFASA-N 2 2 333.392 -1.995 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)C[NH2+]C2 ZINC001157323116 793330844 /nfs/dbraw/zinc/33/08/44/793330844.db2.gz NBKNEWLWYZZVNV-MNOVXSKESA-N 2 2 337.428 -1.155 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)C[NH2+]C2 ZINC001157323117 793330374 /nfs/dbraw/zinc/33/03/74/793330374.db2.gz NBKNEWLWYZZVNV-QWRGUYRKSA-N 2 2 337.428 -1.155 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001157323283 793330418 /nfs/dbraw/zinc/33/04/18/793330418.db2.gz OCVDVOBRJNADLN-QWHCGFSZSA-N 2 2 338.412 -1.183 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001157323283 793330407 /nfs/dbraw/zinc/33/04/07/793330407.db2.gz OCVDVOBRJNADLN-QWHCGFSZSA-N 2 2 338.412 -1.183 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC001157323597 793330890 /nfs/dbraw/zinc/33/08/90/793330890.db2.gz LCBIMRQLPTYESV-GRYCIOLGSA-N 2 2 328.413 -1.113 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC001157323600 793330869 /nfs/dbraw/zinc/33/08/69/793330869.db2.gz LCBIMRQLPTYESV-SDDRHHMPSA-N 2 2 328.413 -1.113 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@H](C(=O)OC)C1 ZINC001157323601 793331729 /nfs/dbraw/zinc/33/17/29/793331729.db2.gz LCBIMRQLPTYESV-SRVKXCTJSA-N 2 2 328.413 -1.113 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1 ZINC001157323603 793330920 /nfs/dbraw/zinc/33/09/20/793330920.db2.gz LCBIMRQLPTYESV-WOPDTQHZSA-N 2 2 328.413 -1.113 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157344231 793331290 /nfs/dbraw/zinc/33/12/90/793331290.db2.gz HVWIXOHWXVLJQF-OLZOCXBDSA-N 3 2 328.461 -1.903 20 0 EAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157344236 793330779 /nfs/dbraw/zinc/33/07/79/793330779.db2.gz HVWIXOHWXVLJQF-STQMWFEESA-N 3 2 328.461 -1.903 20 0 EAADLP [NH3+]CCCC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)N1CCCC1 ZINC001157368441 793332887 /nfs/dbraw/zinc/33/28/87/793332887.db2.gz HBQGWWYMGAVGMK-ZDUSSCGKSA-N 2 2 339.440 -1.346 20 0 EAADLP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(=O)N1CCCC1 ZINC001157369173 793332533 /nfs/dbraw/zinc/33/25/33/793332533.db2.gz QFLJSMJLXHLKNT-QWRGUYRKSA-N 2 2 338.416 -1.694 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCNC(=O)C(F)(F)Br)C1 ZINC001157434122 793334379 /nfs/dbraw/zinc/33/43/79/793334379.db2.gz OQAYKSIUNRYBQU-RITPCOANSA-N 2 2 329.145 -1.104 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCCNC(=O)C(F)(F)Br)C1 ZINC001157434123 793335134 /nfs/dbraw/zinc/33/51/34/793335134.db2.gz OQAYKSIUNRYBQU-WDSKDSINSA-N 2 2 329.145 -1.104 20 0 EAADLP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001157449152 793335197 /nfs/dbraw/zinc/33/51/97/793335197.db2.gz UHZYYBGIEJZKHZ-VIFPVBQESA-N 2 2 325.373 -1.657 20 0 EAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC001157451246 793333718 /nfs/dbraw/zinc/33/37/18/793333718.db2.gz QMKGQOFPWMHLMF-RYUDHWBXSA-N 2 2 325.413 -1.785 20 0 EAADLP CS(=O)(=O)c1nc2c(c(-n3[nH]c(=O)nc3C[NH3+])n1)CC[NH2+]CC2 ZINC001157933416 793344761 /nfs/dbraw/zinc/34/47/61/793344761.db2.gz WEEHTUJHXDZKRQ-UHFFFAOYSA-N 2 2 339.381 -1.687 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001157998382 793345615 /nfs/dbraw/zinc/34/56/15/793345615.db2.gz FCFGUSCTGDSZKK-NWDGAFQWSA-N 2 2 328.413 -1.161 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001157998383 793345795 /nfs/dbraw/zinc/34/57/95/793345795.db2.gz FCFGUSCTGDSZKK-RYUDHWBXSA-N 2 2 328.413 -1.161 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157998390 793346833 /nfs/dbraw/zinc/34/68/33/793346833.db2.gz FFOZOFUXDNHBIR-JTQLQIEISA-N 2 2 336.414 -2.430 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157998391 793345778 /nfs/dbraw/zinc/34/57/78/793345778.db2.gz FFOZOFUXDNHBIR-SNVBAGLBSA-N 2 2 336.414 -2.430 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157998473 793345959 /nfs/dbraw/zinc/34/59/59/793345959.db2.gz FUPBXPSSYAGBAT-SDDRHHMPSA-N 2 2 326.397 -1.312 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157998474 793345891 /nfs/dbraw/zinc/34/58/91/793345891.db2.gz FUPBXPSSYAGBAT-SRVKXCTJSA-N 2 2 326.397 -1.312 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157999254 793345435 /nfs/dbraw/zinc/34/54/35/793345435.db2.gz POFZLRDHVQPMKV-NWDGAFQWSA-N 2 2 326.397 -1.310 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157999255 793347453 /nfs/dbraw/zinc/34/74/53/793347453.db2.gz POFZLRDHVQPMKV-RYUDHWBXSA-N 2 2 326.397 -1.310 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999258 793348253 /nfs/dbraw/zinc/34/82/53/793348253.db2.gz PPHPBRUGMVUURY-GHMZBOCLSA-N 2 2 345.421 -1.873 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999259 793348304 /nfs/dbraw/zinc/34/83/04/793348304.db2.gz PPHPBRUGMVUURY-MNOVXSKESA-N 2 2 345.421 -1.873 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999260 793348486 /nfs/dbraw/zinc/34/84/86/793348486.db2.gz PPHPBRUGMVUURY-QWRGUYRKSA-N 2 2 345.421 -1.873 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157999261 793348649 /nfs/dbraw/zinc/34/86/49/793348649.db2.gz PPHPBRUGMVUURY-WDEREUQCSA-N 2 2 345.421 -1.873 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999436 793347589 /nfs/dbraw/zinc/34/75/89/793347589.db2.gz QSDOZMATMKIUOI-NEPJUHHUSA-N 2 2 338.408 -1.534 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999437 793347271 /nfs/dbraw/zinc/34/72/71/793347271.db2.gz QSDOZMATMKIUOI-NWDGAFQWSA-N 2 2 338.408 -1.534 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999438 793347065 /nfs/dbraw/zinc/34/70/65/793347065.db2.gz QSDOZMATMKIUOI-RYUDHWBXSA-N 2 2 338.408 -1.534 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157999439 793347870 /nfs/dbraw/zinc/34/78/70/793347870.db2.gz QSDOZMATMKIUOI-VXGBXAGGSA-N 2 2 338.408 -1.534 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CSCNC(C)=O ZINC001157999480 793348618 /nfs/dbraw/zinc/34/86/18/793348618.db2.gz RRWHMIWPAQNPLS-QWRGUYRKSA-N 2 2 332.426 -1.496 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CSCNC(C)=O ZINC001157999481 793347556 /nfs/dbraw/zinc/34/75/56/793347556.db2.gz RRWHMIWPAQNPLS-WDEREUQCSA-N 2 2 332.426 -1.496 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001158005855 793347849 /nfs/dbraw/zinc/34/78/49/793347849.db2.gz DIYWIQQCURAOOL-QWHCGFSZSA-N 2 2 328.413 -1.016 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001158005856 793347086 /nfs/dbraw/zinc/34/70/86/793347086.db2.gz DIYWIQQCURAOOL-STQMWFEESA-N 2 2 328.413 -1.016 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001158005914 793348192 /nfs/dbraw/zinc/34/81/92/793348192.db2.gz FBBWEMJFJCIUII-GVXVVHGQSA-N 2 2 328.413 -1.161 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001158005915 793348214 /nfs/dbraw/zinc/34/82/14/793348214.db2.gz FBBWEMJFJCIUII-LOWVWBTDSA-N 2 2 328.413 -1.161 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001158006668 793348131 /nfs/dbraw/zinc/34/81/31/793348131.db2.gz MKYRYUGGFPZXTK-CYBMUJFWSA-N 2 2 348.407 -1.137 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001158006669 793346991 /nfs/dbraw/zinc/34/69/91/793346991.db2.gz MKYRYUGGFPZXTK-ZDUSSCGKSA-N 2 2 348.407 -1.137 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007025 793348699 /nfs/dbraw/zinc/34/86/99/793348699.db2.gz QAVPMHZUCRIADT-CHWSQXEVSA-N 3 2 327.429 -1.900 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007026 793347666 /nfs/dbraw/zinc/34/76/66/793347666.db2.gz QAVPMHZUCRIADT-OLZOCXBDSA-N 3 2 327.429 -1.900 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007027 793347499 /nfs/dbraw/zinc/34/74/99/793347499.db2.gz QAVPMHZUCRIADT-QWHCGFSZSA-N 3 2 327.429 -1.900 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007028 793348369 /nfs/dbraw/zinc/34/83/69/793348369.db2.gz QAVPMHZUCRIADT-STQMWFEESA-N 3 2 327.429 -1.900 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158007195 793348329 /nfs/dbraw/zinc/34/83/29/793348329.db2.gz RBXIGFQLGWDOIK-GUBZILKMSA-N 2 2 343.384 -2.943 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001158007196 793348406 /nfs/dbraw/zinc/34/84/06/793348406.db2.gz RBXIGFQLGWDOIK-LPEHRKFASA-N 2 2 343.384 -2.943 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001158007227 793347207 /nfs/dbraw/zinc/34/72/07/793347207.db2.gz RULHAXJDVCHUCM-IJLUTSLNSA-N 2 2 327.381 -1.251 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001158007228 793347479 /nfs/dbraw/zinc/34/74/79/793347479.db2.gz RULHAXJDVCHUCM-UTUOFQBUSA-N 2 2 327.381 -1.251 20 0 EAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001158007527 793347830 /nfs/dbraw/zinc/34/78/30/793347830.db2.gz UNXUGACEIYDIRB-NWDGAFQWSA-N 2 2 328.413 -1.161 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001158007528 793347706 /nfs/dbraw/zinc/34/77/06/793347706.db2.gz UNXUGACEIYDIRB-RYUDHWBXSA-N 2 2 328.413 -1.161 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)C[NH2+]C2 ZINC001158091525 793349492 /nfs/dbraw/zinc/34/94/92/793349492.db2.gz DVVKOTZIVGTMDD-BMIGLBTASA-N 2 2 333.396 -1.825 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)C[NH2+]C2 ZINC001158091526 793350247 /nfs/dbraw/zinc/35/02/47/793350247.db2.gz DVVKOTZIVGTMDD-BONVTDFDSA-N 2 2 333.396 -1.825 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)C[NH2+]C2 ZINC001158091527 793349013 /nfs/dbraw/zinc/34/90/13/793349013.db2.gz DVVKOTZIVGTMDD-MEBBXXQBSA-N 2 2 333.396 -1.825 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)C[NH2+]C2 ZINC001158091528 793349121 /nfs/dbraw/zinc/34/91/21/793349121.db2.gz DVVKOTZIVGTMDD-ZUZCIYMTSA-N 2 2 333.396 -1.825 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112534 793350131 /nfs/dbraw/zinc/35/01/31/793350131.db2.gz ZEERUBKINQVMON-BLLLJJGKSA-N 3 2 332.408 -1.772 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112537 793349594 /nfs/dbraw/zinc/34/95/94/793349594.db2.gz ZEERUBKINQVMON-LRDDRELGSA-N 3 2 332.408 -1.772 20 0 EAADLP O=C(c1cnc2n1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118799 793351227 /nfs/dbraw/zinc/35/12/27/793351227.db2.gz BSYNDTDUFRGNJA-INIZCTEOSA-N 2 2 330.392 -1.462 20 0 EAADLP O=C(c1cnc2n1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118801 793351869 /nfs/dbraw/zinc/35/18/69/793351869.db2.gz BSYNDTDUFRGNJA-MRXNPFEDSA-N 2 2 330.392 -1.462 20 0 EAADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120579 793350775 /nfs/dbraw/zinc/35/07/75/793350775.db2.gz RASVLUONKQWUTL-INIZCTEOSA-N 2 2 330.392 -1.393 20 0 EAADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120581 793351843 /nfs/dbraw/zinc/35/18/43/793351843.db2.gz RASVLUONKQWUTL-MRXNPFEDSA-N 2 2 330.392 -1.393 20 0 EAADLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(S(C)(=O)=O)n1 ZINC001158203761 793354381 /nfs/dbraw/zinc/35/43/81/793354381.db2.gz HJTUDDSKAJQEHA-MRVPVSSYSA-N 2 2 327.366 -1.064 20 0 EAADLP NC(=O)[C@@H]1CCCN1c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209496 793354151 /nfs/dbraw/zinc/35/41/51/793354151.db2.gz VAAYSSYJFLQVEI-PWSUYJOCSA-N 2 2 331.380 -1.022 20 0 EAADLP NC(=O)[C@H]1CCCN1c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209497 793353407 /nfs/dbraw/zinc/35/34/07/793353407.db2.gz VAAYSSYJFLQVEI-ZYHUDNBSSA-N 2 2 331.380 -1.022 20 0 EAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260799 793353963 /nfs/dbraw/zinc/35/39/63/793353963.db2.gz HMMNXVSBHVFLTN-RWMBFGLXSA-N 3 2 331.424 -1.351 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260836 793354803 /nfs/dbraw/zinc/35/48/03/793354803.db2.gz IETALWAUAHXNNB-VIFPVBQESA-N 2 2 332.372 -2.218 20 0 EAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261164 793354575 /nfs/dbraw/zinc/35/45/75/793354575.db2.gz LIULKWBPTCARSX-GFCCVEGCSA-N 3 2 330.396 -1.008 20 0 EAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261165 793353472 /nfs/dbraw/zinc/35/34/72/793353472.db2.gz LIULKWBPTCARSX-LBPRGKRZSA-N 3 2 330.396 -1.008 20 0 EAADLP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158262096 793353617 /nfs/dbraw/zinc/35/36/17/793353617.db2.gz QGPUFXUVKPJUTJ-BLLLJJGKSA-N 3 2 331.424 -1.350 20 0 EAADLP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158262102 793353818 /nfs/dbraw/zinc/35/38/18/793353818.db2.gz QGPUFXUVKPJUTJ-LRDDRELGSA-N 3 2 331.424 -1.350 20 0 EAADLP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158262107 793354344 /nfs/dbraw/zinc/35/43/44/793354344.db2.gz QGPUFXUVKPJUTJ-MLGOLLRUSA-N 3 2 331.424 -1.350 20 0 EAADLP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158262110 793354499 /nfs/dbraw/zinc/35/44/99/793354499.db2.gz QGPUFXUVKPJUTJ-WBMJQRKESA-N 3 2 331.424 -1.350 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262220 793354784 /nfs/dbraw/zinc/35/47/84/793354784.db2.gz RVYWWPGAHKFUEI-UHFFFAOYSA-N 2 2 333.396 -1.869 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001158274880 793353843 /nfs/dbraw/zinc/35/38/43/793353843.db2.gz ILIYBPQFQKEGOT-UHFFFAOYSA-N 2 2 335.416 -1.122 20 0 EAADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001158348345 793356740 /nfs/dbraw/zinc/35/67/40/793356740.db2.gz RBZXPTFDVDZLSA-UFBFGSQYSA-N 2 2 336.396 -1.647 20 0 EAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001158431265 793359876 /nfs/dbraw/zinc/35/98/76/793359876.db2.gz PCGBNJSKCWXXIT-GARJFASQSA-N 2 2 334.380 -1.253 20 0 EAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001158433064 793358756 /nfs/dbraw/zinc/35/87/56/793358756.db2.gz WZRMWDFTHJNXRC-BMIGLBTASA-N 2 2 334.380 -1.252 20 0 EAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001158433066 793359656 /nfs/dbraw/zinc/35/96/56/793359656.db2.gz WZRMWDFTHJNXRC-BONVTDFDSA-N 2 2 334.380 -1.252 20 0 EAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001158433069 793358228 /nfs/dbraw/zinc/35/82/28/793358228.db2.gz WZRMWDFTHJNXRC-MEBBXXQBSA-N 2 2 334.380 -1.252 20 0 EAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001158433072 793358321 /nfs/dbraw/zinc/35/83/21/793358321.db2.gz WZRMWDFTHJNXRC-ZUZCIYMTSA-N 2 2 334.380 -1.252 20 0 EAADLP COCC[NH+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001158605529 793362037 /nfs/dbraw/zinc/36/20/37/793362037.db2.gz YWCDVFUMRIJRNF-QWRGUYRKSA-N 2 2 329.401 -2.516 20 0 EAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1COC[NH2+]1 ZINC001158734493 793365069 /nfs/dbraw/zinc/36/50/69/793365069.db2.gz AHPNIWCKSCOHTG-JTQLQIEISA-N 2 2 330.366 -1.446 20 0 EAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001158734510 793365332 /nfs/dbraw/zinc/36/53/32/793365332.db2.gz AUNQGTUTFZSZHJ-WPRPVWTQSA-N 3 2 343.409 -1.702 20 0 EAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[NH2+]CCC[NH3+] ZINC001158734655 793364481 /nfs/dbraw/zinc/36/44/81/793364481.db2.gz FGALERKVDCKAEZ-UHFFFAOYSA-N 3 2 345.425 -1.453 20 0 EAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001158735038 793364757 /nfs/dbraw/zinc/36/47/57/793364757.db2.gz LEJVEWUXPXZPPN-WPRPVWTQSA-N 3 2 343.409 -1.845 20 0 EAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1COCC[NH2+]1 ZINC001158735156 793364898 /nfs/dbraw/zinc/36/48/98/793364898.db2.gz PIMRFMVQEKIDBF-NSHDSACASA-N 2 2 344.393 -1.403 20 0 EAADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759562 793364831 /nfs/dbraw/zinc/36/48/31/793364831.db2.gz QOHVNUUCJYUMDR-NSHDSACASA-N 2 2 345.411 -1.011 20 0 EAADLP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001158813878 793366672 /nfs/dbraw/zinc/36/66/72/793366672.db2.gz IASKNCRRLHXERB-AVGNSLFASA-N 2 2 340.424 -1.412 20 0 EAADLP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001158813879 793365750 /nfs/dbraw/zinc/36/57/50/793365750.db2.gz IASKNCRRLHXERB-XQQFMLRXSA-N 2 2 340.424 -1.412 20 0 EAADLP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158813893 793366347 /nfs/dbraw/zinc/36/63/47/793366347.db2.gz IFPNWKCHDMCGMO-AGIUHOORSA-N 2 2 340.424 -1.554 20 0 EAADLP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158813894 793365830 /nfs/dbraw/zinc/36/58/30/793365830.db2.gz IFPNWKCHDMCGMO-AVGNSLFASA-N 2 2 340.424 -1.554 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001158821401 793366557 /nfs/dbraw/zinc/36/65/57/793366557.db2.gz KPABWTOWWQDCJD-NEPJUHHUSA-N 2 2 335.412 -1.858 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001158821402 793366053 /nfs/dbraw/zinc/36/60/53/793366053.db2.gz KPABWTOWWQDCJD-RYUDHWBXSA-N 2 2 335.412 -1.858 20 0 EAADLP [NH3+]C1(C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CC[NH2+]CC1 ZINC001158821975 793365895 /nfs/dbraw/zinc/36/58/95/793365895.db2.gz REHOXCVYGDVNAY-UHFFFAOYSA-N 2 2 349.439 -1.467 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822422 793366603 /nfs/dbraw/zinc/36/66/03/793366603.db2.gz XCKLPSKTMCREMS-RYUDHWBXSA-N 2 2 335.412 -2.001 20 0 EAADLP [NH3+]C1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC[NH2+]CC1 ZINC001158967570 793368371 /nfs/dbraw/zinc/36/83/71/793368371.db2.gz BSRLMAGQSLJNIS-OLZOCXBDSA-N 2 2 332.408 -1.027 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158968513 793368984 /nfs/dbraw/zinc/36/89/84/793368984.db2.gz RIUGYLIRQOETLW-LOUJCGABSA-N 2 2 344.419 -1.156 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158968515 793369010 /nfs/dbraw/zinc/36/90/10/793369010.db2.gz RIUGYLIRQOETLW-QDEZUTFSSA-N 2 2 344.419 -1.156 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158968517 793368867 /nfs/dbraw/zinc/36/88/67/793368867.db2.gz RIUGYLIRQOETLW-VWPFQQQWSA-N 2 2 344.419 -1.156 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158968519 793369378 /nfs/dbraw/zinc/36/93/78/793369378.db2.gz RIUGYLIRQOETLW-WVZRYYJFSA-N 2 2 344.419 -1.156 20 0 EAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159076813 793373162 /nfs/dbraw/zinc/37/31/62/793373162.db2.gz XJDQAKBBBJTDDG-LBPRGKRZSA-N 2 2 349.439 -2.022 20 0 EAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077915 793374359 /nfs/dbraw/zinc/37/43/59/793374359.db2.gz SIRDMFAOEMGBCA-BBRMVZONSA-N 2 2 342.440 -1.210 20 0 EAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077916 793373472 /nfs/dbraw/zinc/37/34/72/793373472.db2.gz SIRDMFAOEMGBCA-CJNGLKHVSA-N 2 2 342.440 -1.210 20 0 EAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077917 793374159 /nfs/dbraw/zinc/37/41/59/793374159.db2.gz SIRDMFAOEMGBCA-CZUORRHYSA-N 2 2 342.440 -1.210 20 0 EAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNCC[NH3+] ZINC001159077918 793372989 /nfs/dbraw/zinc/37/29/89/793372989.db2.gz SIRDMFAOEMGBCA-XJKSGUPXSA-N 2 2 342.440 -1.210 20 0 EAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001159077935 793373901 /nfs/dbraw/zinc/37/39/01/793373901.db2.gz SPLCXUMDEDPRRJ-IOASZLSFSA-N 2 2 343.424 -1.049 20 0 EAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001159077936 793373959 /nfs/dbraw/zinc/37/39/59/793373959.db2.gz SPLCXUMDEDPRRJ-WWGRRREGSA-N 2 2 343.424 -1.049 20 0 EAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001159077937 793374327 /nfs/dbraw/zinc/37/43/27/793374327.db2.gz SPLCXUMDEDPRRJ-XEZPLFJOSA-N 2 2 343.424 -1.049 20 0 EAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001159077938 793373089 /nfs/dbraw/zinc/37/30/89/793373089.db2.gz SPLCXUMDEDPRRJ-ZENOOKHLSA-N 2 2 343.424 -1.049 20 0 EAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078105 793374199 /nfs/dbraw/zinc/37/41/99/793374199.db2.gz UXELEHLGSNPDEA-HUBLWGQQSA-N 2 2 328.413 -1.473 20 0 EAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078106 793372964 /nfs/dbraw/zinc/37/29/64/793372964.db2.gz UXELEHLGSNPDEA-SLEUVZQESA-N 2 2 328.413 -1.473 20 0 EAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078107 793373409 /nfs/dbraw/zinc/37/34/09/793373409.db2.gz UXELEHLGSNPDEA-TYNCELHUSA-N 2 2 328.413 -1.473 20 0 EAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](N)C[NH3+] ZINC001159078108 793372868 /nfs/dbraw/zinc/37/28/68/793372868.db2.gz UXELEHLGSNPDEA-XUJVJEKNSA-N 2 2 328.413 -1.473 20 0 EAADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21 ZINC001159109347 793372898 /nfs/dbraw/zinc/37/28/98/793372898.db2.gz RSBXCUGUUOGZRG-GODIYZJISA-N 2 2 336.436 -1.063 20 0 EAADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21 ZINC001159109348 793374234 /nfs/dbraw/zinc/37/42/34/793374234.db2.gz RSBXCUGUUOGZRG-MPZWGZMNSA-N 2 2 336.436 -1.063 20 0 EAADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21 ZINC001159109349 793373741 /nfs/dbraw/zinc/37/37/41/793373741.db2.gz RSBXCUGUUOGZRG-RKWLLSJHSA-N 2 2 336.436 -1.063 20 0 EAADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21 ZINC001159109350 793374108 /nfs/dbraw/zinc/37/41/08/793374108.db2.gz RSBXCUGUUOGZRG-TVRNETQVSA-N 2 2 336.436 -1.063 20 0 EAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159123896 793375580 /nfs/dbraw/zinc/37/55/80/793375580.db2.gz KOCOPPHALHDUOH-SWLSCSKDSA-N 2 2 327.429 -2.041 20 0 EAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159123896 793375572 /nfs/dbraw/zinc/37/55/72/793375572.db2.gz KOCOPPHALHDUOH-SWLSCSKDSA-N 2 2 327.429 -2.041 20 0 EAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159123898 793375688 /nfs/dbraw/zinc/37/56/88/793375688.db2.gz KOCOPPHALHDUOH-WFASDCNBSA-N 2 2 327.429 -2.041 20 0 EAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159123898 793375681 /nfs/dbraw/zinc/37/56/81/793375681.db2.gz KOCOPPHALHDUOH-WFASDCNBSA-N 2 2 327.429 -2.041 20 0 EAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC[NH2+]3)C2)C1 ZINC001159124694 793375819 /nfs/dbraw/zinc/37/58/19/793375819.db2.gz QADZCXMVWYDHNI-BBRMVZONSA-N 2 2 340.424 -1.381 20 0 EAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC[NH2+]3)C2)C1 ZINC001159124694 793375811 /nfs/dbraw/zinc/37/58/11/793375811.db2.gz QADZCXMVWYDHNI-BBRMVZONSA-N 2 2 340.424 -1.381 20 0 EAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC[NH2+]3)C2)C1 ZINC001159124695 793375633 /nfs/dbraw/zinc/37/56/33/793375633.db2.gz QADZCXMVWYDHNI-XJKSGUPXSA-N 2 2 340.424 -1.381 20 0 EAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC[NH2+]3)C2)C1 ZINC001159124695 793375622 /nfs/dbraw/zinc/37/56/22/793375622.db2.gz QADZCXMVWYDHNI-XJKSGUPXSA-N 2 2 340.424 -1.381 20 0 EAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CNCC[NH3+])C2)C1 ZINC001159125790 793374959 /nfs/dbraw/zinc/37/49/59/793374959.db2.gz ILNLLFGGYQJCLV-INIZCTEOSA-N 2 2 341.456 -1.778 20 0 EAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CNCC[NH3+])C2)C1 ZINC001159125790 793374952 /nfs/dbraw/zinc/37/49/52/793374952.db2.gz ILNLLFGGYQJCLV-INIZCTEOSA-N 2 2 341.456 -1.778 20 0 EAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CNCC[NH3+])C2)C1 ZINC001159125791 793375336 /nfs/dbraw/zinc/37/53/36/793375336.db2.gz ILNLLFGGYQJCLV-MRXNPFEDSA-N 2 2 341.456 -1.778 20 0 EAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CNCC[NH3+])C2)C1 ZINC001159125791 793375329 /nfs/dbraw/zinc/37/53/29/793375329.db2.gz ILNLLFGGYQJCLV-MRXNPFEDSA-N 2 2 341.456 -1.778 20 0 EAADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001159134838 793375407 /nfs/dbraw/zinc/37/54/07/793375407.db2.gz PYPWPCKQRYUTLW-MNOVXSKESA-N 2 2 333.400 -1.514 20 0 EAADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001159134840 793375094 /nfs/dbraw/zinc/37/50/94/793375094.db2.gz PYPWPCKQRYUTLW-QWRGUYRKSA-N 2 2 333.400 -1.514 20 0 EAADLP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001159201992 793376012 /nfs/dbraw/zinc/37/60/12/793376012.db2.gz CKUSQJMIQIVOFW-HTVCTNPSSA-N 2 2 339.440 -1.190 20 0 EAADLP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001159201994 793376807 /nfs/dbraw/zinc/37/68/07/793376807.db2.gz CKUSQJMIQIVOFW-ZUWCUPBKSA-N 2 2 339.440 -1.190 20 0 EAADLP C[NH+]1CC(CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001159216107 793378398 /nfs/dbraw/zinc/37/83/98/793378398.db2.gz CRCAKDMGIXWTMH-UHFFFAOYSA-N 2 2 349.439 -1.060 20 0 EAADLP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001159236489 793378921 /nfs/dbraw/zinc/37/89/21/793378921.db2.gz QYXRPQCMWMSXMI-XDQVBPFNSA-N 2 2 332.408 -1.218 20 0 EAADLP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cn1 ZINC001159237359 793379255 /nfs/dbraw/zinc/37/92/55/793379255.db2.gz ZFPBQQQCBAACNK-XDQVBPFNSA-N 2 2 332.408 -1.075 20 0 EAADLP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001159237362 793379435 /nfs/dbraw/zinc/37/94/35/793379435.db2.gz ZFPBQQQCBAACNK-ZOBORPQBSA-N 2 2 332.408 -1.075 20 0 EAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159271639 793381033 /nfs/dbraw/zinc/38/10/33/793381033.db2.gz FXGWMAVIRCHGQW-AHDPXTMNSA-N 2 2 344.419 -1.158 20 0 EAADLP [NH3+]C1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC[NH2+]CC1 ZINC001159273718 793380830 /nfs/dbraw/zinc/38/08/30/793380830.db2.gz UYLAXOASGQAZPX-OLZOCXBDSA-N 2 2 332.408 -1.027 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159273745 793381071 /nfs/dbraw/zinc/38/10/71/793381071.db2.gz VKZPRIOEWINCCS-LOUJCGABSA-N 2 2 344.419 -1.156 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159273746 793381747 /nfs/dbraw/zinc/38/17/47/793381747.db2.gz VKZPRIOEWINCCS-QDEZUTFSSA-N 2 2 344.419 -1.156 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159273747 793381458 /nfs/dbraw/zinc/38/14/58/793381458.db2.gz VKZPRIOEWINCCS-VWPFQQQWSA-N 2 2 344.419 -1.156 20 0 EAADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159273748 793381105 /nfs/dbraw/zinc/38/11/05/793381105.db2.gz VKZPRIOEWINCCS-WVZRYYJFSA-N 2 2 344.419 -1.156 20 0 EAADLP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])C[C@H]32)nn1 ZINC001159297357 793381611 /nfs/dbraw/zinc/38/16/11/793381611.db2.gz JFKKVAYHJGUKJV-FQUUOJAGSA-N 2 2 332.408 -1.252 20 0 EAADLP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)C[C@H]32)nn1 ZINC001159298712 793383092 /nfs/dbraw/zinc/38/30/92/793383092.db2.gz USLSSFWPNUQNER-RQJABVFESA-N 2 2 332.408 -1.110 20 0 EAADLP CCN1C[C@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@H]2S1(=O)=O ZINC001159403562 793384802 /nfs/dbraw/zinc/38/48/02/793384802.db2.gz LVLZZLIEEXWVEF-MROQNXINSA-N 2 2 330.454 -1.194 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404314 793384527 /nfs/dbraw/zinc/38/45/27/793384527.db2.gz YSCVWSGTOARYFI-YYFQZIEXSA-N 3 2 346.435 -1.019 20 0 EAADLP CCN1C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@H]2S1(=O)=O ZINC001159404423 793384937 /nfs/dbraw/zinc/38/49/37/793384937.db2.gz RAYOXLVTCXPEKB-FVCCEPFGSA-N 2 2 330.454 -1.052 20 0 EAADLP CCN1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC[C@H]2S1(=O)=O ZINC001159404424 793384901 /nfs/dbraw/zinc/38/49/01/793384901.db2.gz RAYOXLVTCXPEKB-MROQNXINSA-N 2 2 330.454 -1.052 20 0 EAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)CC1 ZINC001159417178 793386670 /nfs/dbraw/zinc/38/66/70/793386670.db2.gz LRAJXBFSHJGPKC-AWEZNQCLSA-N 3 2 335.456 -1.351 20 0 EAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2COC[NH2+]2)CC3)CC1 ZINC001159417223 793385874 /nfs/dbraw/zinc/38/58/74/793385874.db2.gz NBAHXUSGLVHTQF-AWEZNQCLSA-N 2 2 334.424 -1.081 20 0 EAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2COCC[NH2+]2)CC3)CC1 ZINC001159424533 793387199 /nfs/dbraw/zinc/38/71/99/793387199.db2.gz JRMIPBNGATUSNA-HNNXBMFYSA-N 2 2 348.451 -1.039 20 0 EAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC3)CC1 ZINC001159424718 793386013 /nfs/dbraw/zinc/38/60/13/793386013.db2.gz LPYLXWFSHZXJPP-HIFRSBDPSA-N 3 2 347.467 -1.338 20 0 EAADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC3)CC1 ZINC001159424722 793386409 /nfs/dbraw/zinc/38/64/09/793386409.db2.gz LPYLXWFSHZXJPP-ZFWWWQNUSA-N 3 2 347.467 -1.338 20 0 EAADLP [NH3+]C1(C(=O)N2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)CC[NH2+]CC1 ZINC001159491180 793386598 /nfs/dbraw/zinc/38/65/98/793386598.db2.gz AYRVKSBGNJDMSL-UHFFFAOYSA-N 2 2 348.407 -1.195 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)C1 ZINC001159491328 793386961 /nfs/dbraw/zinc/38/69/61/793386961.db2.gz CAPKSWQTFZMJNN-ONGXEEELSA-N 2 2 334.380 -1.587 20 0 EAADLP [NH3+]CCC[NH2+]CC(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493410 793386049 /nfs/dbraw/zinc/38/60/49/793386049.db2.gz ODFKEUPLNQFBHV-UHFFFAOYSA-N 2 2 336.396 -1.337 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159494220 793386575 /nfs/dbraw/zinc/38/65/75/793386575.db2.gz ZZBHXFVPUCTDAA-ONGXEEELSA-N 2 2 334.380 -1.729 20 0 EAADLP O=C([C@H]1C[NH2+]CCN1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514292 793386822 /nfs/dbraw/zinc/38/68/22/793386822.db2.gz AHGULKWRTNYPAY-GFCCVEGCSA-N 2 2 330.396 -1.183 20 0 EAADLP O=C([C@@H]1C[NH2+]CCN1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514293 793386547 /nfs/dbraw/zinc/38/65/47/793386547.db2.gz AHGULKWRTNYPAY-LBPRGKRZSA-N 2 2 330.396 -1.183 20 0 EAADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514347 793386876 /nfs/dbraw/zinc/38/68/76/793386876.db2.gz CBKBRMXMIYPYOE-KBPBESRZSA-N 2 2 331.380 -1.022 20 0 EAADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514348 793386136 /nfs/dbraw/zinc/38/61/36/793386136.db2.gz CBKBRMXMIYPYOE-KGLIPLIRSA-N 2 2 331.380 -1.022 20 0 EAADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514421 793388549 /nfs/dbraw/zinc/38/85/49/793388549.db2.gz DTKNTNMKOGKXMJ-RYUDHWBXSA-N 2 2 331.380 -1.022 20 0 EAADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514423 793388528 /nfs/dbraw/zinc/38/85/28/793388528.db2.gz DTKNTNMKOGKXMJ-VXGBXAGGSA-N 2 2 331.380 -1.022 20 0 EAADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515027 793387562 /nfs/dbraw/zinc/38/75/62/793387562.db2.gz NJGFPHAPVPMHHZ-RYUDHWBXSA-N 2 2 330.396 -1.198 20 0 EAADLP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515259 793388044 /nfs/dbraw/zinc/38/80/44/793388044.db2.gz RDZJAEMZGGFHBD-BXUZGUMPSA-N 2 2 331.380 -1.165 20 0 EAADLP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515262 793389162 /nfs/dbraw/zinc/38/91/62/793389162.db2.gz RDZJAEMZGGFHBD-FZMZJTMJSA-N 2 2 331.380 -1.165 20 0 EAADLP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515263 793388185 /nfs/dbraw/zinc/38/81/85/793388185.db2.gz RDZJAEMZGGFHBD-RISCZKNCSA-N 2 2 331.380 -1.165 20 0 EAADLP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515265 793388387 /nfs/dbraw/zinc/38/83/87/793388387.db2.gz RDZJAEMZGGFHBD-SMDDNHRTSA-N 2 2 331.380 -1.165 20 0 EAADLP N[C@@]1(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC[NH2+]C1 ZINC001159515586 793388853 /nfs/dbraw/zinc/38/88/53/793388853.db2.gz UJPQDSZCFBXORD-HNNXBMFYSA-N 2 2 330.396 -1.054 20 0 EAADLP N[C@]1(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC[NH2+]C1 ZINC001159515587 793388249 /nfs/dbraw/zinc/38/82/49/793388249.db2.gz UJPQDSZCFBXORD-OAHLLOKOSA-N 2 2 330.396 -1.054 20 0 EAADLP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159519036 793388630 /nfs/dbraw/zinc/38/86/30/793388630.db2.gz BUQOLLRLOOFXNJ-NEPJUHHUSA-N 2 2 335.412 -1.322 20 0 EAADLP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001159519037 793388223 /nfs/dbraw/zinc/38/82/23/793388223.db2.gz BUQOLLRLOOFXNJ-RYUDHWBXSA-N 2 2 335.412 -1.322 20 0 EAADLP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159520700 793388723 /nfs/dbraw/zinc/38/87/23/793388723.db2.gz ZGQXONUDDBWZFB-RYUDHWBXSA-N 2 2 335.412 -1.465 20 0 EAADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159537026 793388310 /nfs/dbraw/zinc/38/83/10/793388310.db2.gz GEXJPXGZFQDSSI-UHFFFAOYSA-N 2 2 336.396 -1.603 20 0 EAADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001159537026 793388300 /nfs/dbraw/zinc/38/83/00/793388300.db2.gz GEXJPXGZFQDSSI-UHFFFAOYSA-N 2 2 336.396 -1.603 20 0 EAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H](N)C[NH3+])CC2)C1=O ZINC001159608234 793387920 /nfs/dbraw/zinc/38/79/20/793387920.db2.gz HNOGYCRDBGAZIZ-ZDUSSCGKSA-N 3 2 340.472 -2.031 20 0 EAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H](N)C[NH3+])CC2)C1=O ZINC001159608234 793387908 /nfs/dbraw/zinc/38/79/08/793387908.db2.gz HNOGYCRDBGAZIZ-ZDUSSCGKSA-N 3 2 340.472 -2.031 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625063 793388066 /nfs/dbraw/zinc/38/80/66/793388066.db2.gz QNKDKLDKEVHMAA-ODXJTPSBSA-N 2 2 338.408 -1.155 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)C1 ZINC001159625683 793387658 /nfs/dbraw/zinc/38/76/58/793387658.db2.gz YZGSDLZEHIWSEP-ODXJTPSBSA-N 2 2 338.408 -1.012 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)C1 ZINC001159625684 793388129 /nfs/dbraw/zinc/38/81/29/793388129.db2.gz YZGSDLZEHIWSEP-XVIXHAIJSA-N 2 2 338.408 -1.012 20 0 EAADLP N[C@@H](C[NH3+])C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633585 793388939 /nfs/dbraw/zinc/38/89/39/793388939.db2.gz OBJXXCVWHNDOGK-LBPRGKRZSA-N 2 2 331.380 -1.494 20 0 EAADLP [NH3+]CCNCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634113 793388269 /nfs/dbraw/zinc/38/82/69/793388269.db2.gz VOJKEJIPVWECIC-UHFFFAOYSA-N 2 2 345.407 -1.231 20 0 EAADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@@H]2C1 ZINC001159635296 793388103 /nfs/dbraw/zinc/38/81/03/793388103.db2.gz KEJGTRSTDFQTSR-CBBWQLFWSA-N 3 2 326.441 -1.271 20 0 EAADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@@H]2C1 ZINC001159635296 793388094 /nfs/dbraw/zinc/38/80/94/793388094.db2.gz KEJGTRSTDFQTSR-CBBWQLFWSA-N 3 2 326.441 -1.271 20 0 EAADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@@H]2C1 ZINC001159635327 793388914 /nfs/dbraw/zinc/38/89/14/793388914.db2.gz LJQICSUDNCIVFB-APIJFGDWSA-N 3 2 326.441 -1.129 20 0 EAADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@@H]2C1 ZINC001159635327 793388909 /nfs/dbraw/zinc/38/89/09/793388909.db2.gz LJQICSUDNCIVFB-APIJFGDWSA-N 3 2 326.441 -1.129 20 0 EAADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC[C@@H]2C1 ZINC001159635328 793389122 /nfs/dbraw/zinc/38/91/22/793389122.db2.gz LJQICSUDNCIVFB-CBBWQLFWSA-N 3 2 326.441 -1.129 20 0 EAADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC[C@@H]2C1 ZINC001159635328 793389116 /nfs/dbraw/zinc/38/91/16/793389116.db2.gz LJQICSUDNCIVFB-CBBWQLFWSA-N 3 2 326.441 -1.129 20 0 EAADLP [NH3+]C[C@H](O)CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159635422 793388811 /nfs/dbraw/zinc/38/88/11/793388811.db2.gz NRABYLOXDFKHKX-CYBMUJFWSA-N 2 2 346.391 -1.070 20 0 EAADLP [NH3+]C[C@@H](O)CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159635423 793387542 /nfs/dbraw/zinc/38/75/42/793387542.db2.gz NRABYLOXDFKHKX-ZDUSSCGKSA-N 2 2 346.391 -1.070 20 0 EAADLP Cn1cc(N2C[C@]3(CCN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])C3)CC2=O)cn1 ZINC001159758334 793389273 /nfs/dbraw/zinc/38/92/73/793389273.db2.gz NMCMXQYBRRHSMQ-HEHGZKQESA-N 2 2 332.408 -1.078 20 0 EAADLP Cn1cc(N2C[C@@]3(CCN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])C3)CC2=O)cn1 ZINC001159758337 793389805 /nfs/dbraw/zinc/38/98/05/793389805.db2.gz NMCMXQYBRRHSMQ-XEZPLFJOSA-N 2 2 332.408 -1.078 20 0 EAADLP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878041 793392735 /nfs/dbraw/zinc/39/27/35/793392735.db2.gz VJCUFQCZZNETAI-GFCCVEGCSA-N 2 2 335.416 -1.367 20 0 EAADLP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878043 793392008 /nfs/dbraw/zinc/39/20/08/793392008.db2.gz VJCUFQCZZNETAI-LBPRGKRZSA-N 2 2 335.416 -1.367 20 0 EAADLP COCCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC[C@H]2C1=O ZINC001159917647 793391969 /nfs/dbraw/zinc/39/19/69/793391969.db2.gz JLRDNQJJMFLGEF-CRWXNKLISA-N 2 2 340.424 -1.602 20 0 EAADLP COCCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@H]2C1=O ZINC001159917648 793393027 /nfs/dbraw/zinc/39/30/27/793393027.db2.gz JLRDNQJJMFLGEF-MQYQWHSLSA-N 2 2 340.424 -1.602 20 0 EAADLP COCCN1CCO[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@H]2C1=O ZINC001159918184 793393311 /nfs/dbraw/zinc/39/33/11/793393311.db2.gz SHCIFRAWABJYPY-RFGFWPKPSA-N 2 2 340.424 -1.745 20 0 EAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001159928970 793391704 /nfs/dbraw/zinc/39/17/04/793391704.db2.gz AJUQPYRLNKUCSY-SDDRHHMPSA-N 2 2 333.396 -1.794 20 0 EAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001159929167 793392612 /nfs/dbraw/zinc/39/26/12/793392612.db2.gz FMDQXAGZVRBXEI-HFAKWTLXSA-N 2 2 333.396 -1.522 20 0 EAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001159929828 793392682 /nfs/dbraw/zinc/39/26/82/793392682.db2.gz NUGJGHVTAYJKSR-LBPRGKRZSA-N 2 2 346.395 -1.440 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159930793 793392923 /nfs/dbraw/zinc/39/29/23/793392923.db2.gz XNWUKAXCRRVDBU-XDQVBPFNSA-N 2 2 341.456 -1.953 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159930793 793392921 /nfs/dbraw/zinc/39/29/21/793392921.db2.gz XNWUKAXCRRVDBU-XDQVBPFNSA-N 2 2 341.456 -1.953 20 0 EAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001159931368 793392836 /nfs/dbraw/zinc/39/28/36/793392836.db2.gz YIWDISPLASTEEX-LLVKDONJSA-N 2 2 332.368 -1.451 20 0 EAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001159931369 793391917 /nfs/dbraw/zinc/39/19/17/793391917.db2.gz YIWDISPLASTEEX-NSHDSACASA-N 2 2 332.368 -1.451 20 0 EAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)[C@H]2C1 ZINC001159998812 793393822 /nfs/dbraw/zinc/39/38/22/793393822.db2.gz MFKPMEOGZQOPTH-CXTNEJHOSA-N 2 2 342.465 -1.180 20 0 EAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)[C@H]2C1 ZINC001159998813 793394558 /nfs/dbraw/zinc/39/45/58/793394558.db2.gz MFKPMEOGZQOPTH-GUIRCDHDSA-N 2 2 342.465 -1.180 20 0 EAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)[C@H]2C1 ZINC001159998814 793394058 /nfs/dbraw/zinc/39/40/58/793394058.db2.gz MFKPMEOGZQOPTH-OSFYFWSMSA-N 2 2 342.465 -1.180 20 0 EAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)[C@H]2C1 ZINC001159998815 793394212 /nfs/dbraw/zinc/39/42/12/793394212.db2.gz MFKPMEOGZQOPTH-UKTARXLSSA-N 2 2 342.465 -1.180 20 0 EAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C3([NH3+])CC[NH2+]CC3)[C@H]2C1 ZINC001159999357 793393651 /nfs/dbraw/zinc/39/36/51/793393651.db2.gz PXXGTNRPRJJXDG-NEPJUHHUSA-N 2 2 330.454 -1.050 20 0 EAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)[C@H]2C1 ZINC001159999927 793393841 /nfs/dbraw/zinc/39/38/41/793393841.db2.gz VAMUKVDADFCPTL-HTOAHKCRSA-N 2 2 342.465 -1.181 20 0 EAADLP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]2C1 ZINC001160007230 793393877 /nfs/dbraw/zinc/39/38/77/793393877.db2.gz GDMGSKLWLJXIIU-VOAKCMCISA-N 2 2 345.469 -1.880 20 0 EAADLP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@H]2C1 ZINC001160008509 793394823 /nfs/dbraw/zinc/39/48/23/793394823.db2.gz XWXKBNCUNCBTEK-VOAKCMCISA-N 2 2 345.469 -1.738 20 0 EAADLP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]2C1 ZINC001160008510 793394095 /nfs/dbraw/zinc/39/40/95/793394095.db2.gz XWXKBNCUNCBTEK-XQHKEYJVSA-N 2 2 345.469 -1.738 20 0 EAADLP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C2)C1 ZINC001160049990 793395613 /nfs/dbraw/zinc/39/56/13/793395613.db2.gz OYYIVOIEYMNLJV-LMOYCYGVSA-N 2 2 339.440 -1.046 20 0 EAADLP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)[C@@H]2COC[C@H]12 ZINC001160084472 793395700 /nfs/dbraw/zinc/39/57/00/793395700.db2.gz FWXMMEICAKUFSD-GGAZOKNXSA-N 2 2 347.419 -1.330 20 0 EAADLP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H]2COC[C@H]12 ZINC001160084475 793395369 /nfs/dbraw/zinc/39/53/69/793395369.db2.gz FWXMMEICAKUFSD-ZHZXCYKASA-N 2 2 347.419 -1.330 20 0 EAADLP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H]2COC[C@H]12 ZINC001160085910 793395062 /nfs/dbraw/zinc/39/50/62/793395062.db2.gz RLJXFYWDDYIKDQ-GGAZOKNXSA-N 2 2 347.419 -1.473 20 0 EAADLP COc1cc[nH+]c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160086967 793396317 /nfs/dbraw/zinc/39/63/17/793396317.db2.gz OASSROMTALTJLR-ICGCDAGXSA-N 2 2 349.347 -1.197 20 0 EAADLP Nc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH+]1 ZINC001160087603 793396531 /nfs/dbraw/zinc/39/65/31/793396531.db2.gz YOCXXHCVPAQTNS-PIZZUKIDSA-N 2 2 334.336 -1.624 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160171047 793398138 /nfs/dbraw/zinc/39/81/38/793398138.db2.gz GCYVJWDOARESEL-DOMZBBRYSA-N 2 2 334.380 -1.771 20 0 EAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160171048 793396252 /nfs/dbraw/zinc/39/62/52/793396252.db2.gz GCYVJWDOARESEL-IUODEOHRSA-N 2 2 334.380 -1.771 20 0 EAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160171049 793397345 /nfs/dbraw/zinc/39/73/45/793397345.db2.gz GCYVJWDOARESEL-SWLSCSKDSA-N 2 2 334.380 -1.771 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160171050 793396685 /nfs/dbraw/zinc/39/66/85/793396685.db2.gz GCYVJWDOARESEL-WFASDCNBSA-N 2 2 334.380 -1.771 20 0 EAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001160171060 793399002 /nfs/dbraw/zinc/39/90/02/793399002.db2.gz GIGOIQLMMBBPFK-BCUIYNNISA-N 2 2 335.408 -2.114 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001160171061 793398869 /nfs/dbraw/zinc/39/88/69/793398869.db2.gz GIGOIQLMMBBPFK-JFILPPLUSA-N 2 2 335.408 -2.114 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160171123 793398466 /nfs/dbraw/zinc/39/84/66/793398466.db2.gz HYHWJOBOGQCXQE-KCXAZCMYSA-N 2 2 335.408 -2.113 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160171124 793398779 /nfs/dbraw/zinc/39/87/79/793398779.db2.gz HYHWJOBOGQCXQE-RCBQFDQVSA-N 2 2 335.408 -2.113 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160171125 793399240 /nfs/dbraw/zinc/39/92/40/793399240.db2.gz HYHWJOBOGQCXQE-UHOFOFEASA-N 2 2 335.408 -2.113 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160171126 793398378 /nfs/dbraw/zinc/39/83/78/793398378.db2.gz HYHWJOBOGQCXQE-VBNZEHGJSA-N 2 2 335.408 -2.113 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001160171538 793398290 /nfs/dbraw/zinc/39/82/90/793398290.db2.gz NWNXNIFQGMSHKL-BBRMVZONSA-N 2 2 348.407 -1.761 20 0 EAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001160171539 793398523 /nfs/dbraw/zinc/39/85/23/793398523.db2.gz NWNXNIFQGMSHKL-XJKSGUPXSA-N 2 2 348.407 -1.761 20 0 EAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160172019 793398705 /nfs/dbraw/zinc/39/87/05/793398705.db2.gz STWUMMZKZCQIFL-BHTHQVBYSA-N 2 2 335.408 -1.842 20 0 EAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160172020 793398738 /nfs/dbraw/zinc/39/87/38/793398738.db2.gz STWUMMZKZCQIFL-MPTQWLOMSA-N 2 2 335.408 -1.842 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCn3c(Cn4cccn4)nnc3C2)C1 ZINC001160192760 793400253 /nfs/dbraw/zinc/40/02/53/793400253.db2.gz GUECTLTXZPMFAV-NEPJUHHUSA-N 2 2 330.396 -1.056 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCn3c(Cn4cccn4)nnc3C2)C1 ZINC001160192761 793400206 /nfs/dbraw/zinc/40/02/06/793400206.db2.gz GUECTLTXZPMFAV-RYUDHWBXSA-N 2 2 330.396 -1.056 20 0 EAADLP Cn1cc(N2C[C@@H]3CN(C(=O)C4([NH3+])CC[NH2+]CC4)C[C@@H]3C2=O)cn1 ZINC001160216247 793400067 /nfs/dbraw/zinc/40/00/67/793400067.db2.gz CQLMJMZQSUBFIH-AAEUAGOBSA-N 2 2 332.408 -1.078 20 0 EAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]5C[NH2+]C[C@H]5[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160216575 793399985 /nfs/dbraw/zinc/39/99/85/793399985.db2.gz DWNUIIKGGQXHRL-IXDBCEGASA-N 2 2 344.419 -1.209 20 0 EAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@]45C[NH2+]C[C@H]4CC[NH2+]5)C[C@@H]3C2=O)cn1 ZINC001160218064 793399780 /nfs/dbraw/zinc/39/97/80/793399780.db2.gz PKFYUAQLFJBCJW-GMIGKAJZSA-N 2 2 344.419 -1.207 20 0 EAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@]45C[NH2+]C[C@@H]4CC[NH2+]5)C[C@@H]3C2=O)cn1 ZINC001160218067 793400710 /nfs/dbraw/zinc/40/07/10/793400710.db2.gz PKFYUAQLFJBCJW-GWIFVGGISA-N 2 2 344.419 -1.207 20 0 EAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@]45C[NH2+]C[C@H]4CC[NH2+]5)C[C@@H]3C2=O)cn1 ZINC001160218069 793400142 /nfs/dbraw/zinc/40/01/42/793400142.db2.gz PKFYUAQLFJBCJW-IFOZYUSPSA-N 2 2 344.419 -1.207 20 0 EAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@]45C[NH2+]C[C@@H]4CC[NH2+]5)C[C@@H]3C2=O)cn1 ZINC001160218072 793400687 /nfs/dbraw/zinc/40/06/87/793400687.db2.gz PKFYUAQLFJBCJW-MYLCLEHYSA-N 2 2 344.419 -1.207 20 0 EAADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCNC(=O)C1 ZINC001160325695 793401670 /nfs/dbraw/zinc/40/16/70/793401670.db2.gz CYKMAXQYGVLDQN-VXGBXAGGSA-N 2 2 348.407 -1.433 20 0 EAADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCNC(=O)C1 ZINC001160325695 793401665 /nfs/dbraw/zinc/40/16/65/793401665.db2.gz CYKMAXQYGVLDQN-VXGBXAGGSA-N 2 2 348.407 -1.433 20 0 EAADLP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160438929 793404795 /nfs/dbraw/zinc/40/47/95/793404795.db2.gz DGSZBYPBALADQY-GFCCVEGCSA-N 2 2 326.397 -1.392 20 0 EAADLP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160438931 793404775 /nfs/dbraw/zinc/40/47/75/793404775.db2.gz DGSZBYPBALADQY-LBPRGKRZSA-N 2 2 326.397 -1.392 20 0 EAADLP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160439228 793404446 /nfs/dbraw/zinc/40/44/46/793404446.db2.gz IPNMXEWMDHTIAJ-NWDGAFQWSA-N 2 2 337.380 -1.430 20 0 EAADLP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160439231 793404356 /nfs/dbraw/zinc/40/43/56/793404356.db2.gz IPNMXEWMDHTIAJ-RYUDHWBXSA-N 2 2 337.380 -1.430 20 0 EAADLP O=C(CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1)N1CCCC1 ZINC001160483516 793405171 /nfs/dbraw/zinc/40/51/71/793405171.db2.gz JQSRTRJPYJIPNQ-PBHICJAKSA-N 2 2 335.452 -1.296 20 0 EAADLP O=C(CN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1)N1CCCC1 ZINC001160483517 793406250 /nfs/dbraw/zinc/40/62/50/793406250.db2.gz JQSRTRJPYJIPNQ-RHSMWYFYSA-N 2 2 335.452 -1.296 20 0 EAADLP O=C(CN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1)N1CCCC1 ZINC001160483518 793405181 /nfs/dbraw/zinc/40/51/81/793405181.db2.gz JQSRTRJPYJIPNQ-WMLDXEAASA-N 2 2 335.452 -1.296 20 0 EAADLP O=C(CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1)N1CCCC1 ZINC001160483520 793406214 /nfs/dbraw/zinc/40/62/14/793406214.db2.gz JQSRTRJPYJIPNQ-YOEHRIQHSA-N 2 2 335.452 -1.296 20 0 EAADLP O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1)N1CCCC1 ZINC001160484073 793406135 /nfs/dbraw/zinc/40/61/35/793406135.db2.gz QHFCLWMIWJTGMG-SOUVJXGZSA-N 2 2 335.452 -1.297 20 0 EAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001160485125 793406020 /nfs/dbraw/zinc/40/60/20/793406020.db2.gz RFEDSOXQQQOAGE-AWEZNQCLSA-N 2 2 336.440 -1.041 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490346 793406234 /nfs/dbraw/zinc/40/62/34/793406234.db2.gz NDNHUHZQGBQJBL-ZFWWWQNUSA-N 2 2 349.435 -1.407 20 0 EAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160492730 793405634 /nfs/dbraw/zinc/40/56/34/793405634.db2.gz GRRJSHNSMVVKAC-CDBAUTBHSA-N 2 2 343.405 -1.176 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160492731 793405578 /nfs/dbraw/zinc/40/55/78/793405578.db2.gz GRRJSHNSMVVKAC-FLMQEPBUSA-N 2 2 343.405 -1.176 20 0 EAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160492732 793405704 /nfs/dbraw/zinc/40/57/04/793405704.db2.gz GRRJSHNSMVVKAC-GOTIFHFNSA-N 2 2 343.405 -1.176 20 0 EAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160492733 793405315 /nfs/dbraw/zinc/40/53/15/793405315.db2.gz GRRJSHNSMVVKAC-SQAZNUMISA-N 2 2 343.405 -1.176 20 0 EAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160493262 793405347 /nfs/dbraw/zinc/40/53/47/793405347.db2.gz MJJNMTJCVCOJMP-DSPMHBFJSA-N 2 2 343.405 -1.448 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160493263 793405916 /nfs/dbraw/zinc/40/59/16/793405916.db2.gz MJJNMTJCVCOJMP-GOVZDWNOSA-N 2 2 343.405 -1.448 20 0 EAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160493264 793406191 /nfs/dbraw/zinc/40/61/91/793406191.db2.gz MJJNMTJCVCOJMP-LIJGXYGRSA-N 2 2 343.405 -1.448 20 0 EAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160493265 793405906 /nfs/dbraw/zinc/40/59/06/793405906.db2.gz MJJNMTJCVCOJMP-YOQJGNTNSA-N 2 2 343.405 -1.448 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160494077 793405674 /nfs/dbraw/zinc/40/56/74/793405674.db2.gz QOYOSQFYBMYSAJ-LFNDISMMSA-N 2 2 343.405 -1.446 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160494078 793405457 /nfs/dbraw/zinc/40/54/57/793405457.db2.gz QOYOSQFYBMYSAJ-PUXPGTEJSA-N 2 2 343.405 -1.446 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160494080 793405932 /nfs/dbraw/zinc/40/59/32/793405932.db2.gz QOYOSQFYBMYSAJ-QOBXEIRBSA-N 2 2 343.405 -1.446 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160494081 793405284 /nfs/dbraw/zinc/40/52/84/793405284.db2.gz QOYOSQFYBMYSAJ-RZGXBDKHSA-N 2 2 343.405 -1.446 20 0 EAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160495802 793405984 /nfs/dbraw/zinc/40/59/84/793405984.db2.gz ZAKPUJYIYAGTQF-BDAKNGLRSA-N 2 2 331.394 -1.317 20 0 EAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160495803 793406127 /nfs/dbraw/zinc/40/61/27/793406127.db2.gz ZAKPUJYIYAGTQF-DTWKUNHWSA-N 2 2 331.394 -1.317 20 0 EAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160495804 793405202 /nfs/dbraw/zinc/40/52/02/793405202.db2.gz ZAKPUJYIYAGTQF-IUCAKERBSA-N 2 2 331.394 -1.317 20 0 EAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160495805 793405813 /nfs/dbraw/zinc/40/58/13/793405813.db2.gz ZAKPUJYIYAGTQF-RKDXNWHRSA-N 2 2 331.394 -1.317 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160584231 793407516 /nfs/dbraw/zinc/40/75/16/793407516.db2.gz AKFYZTQFGOZFEK-CYBMUJFWSA-N 2 2 343.453 -1.142 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160584237 793407181 /nfs/dbraw/zinc/40/71/81/793407181.db2.gz AKFYZTQFGOZFEK-ZDUSSCGKSA-N 2 2 343.453 -1.142 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160584828 793407477 /nfs/dbraw/zinc/40/74/77/793407477.db2.gz IIXYRCOUMZXLJY-DZGCQCFKSA-N 2 2 344.481 -1.483 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160584830 793407063 /nfs/dbraw/zinc/40/70/63/793407063.db2.gz IIXYRCOUMZXLJY-HIFRSBDPSA-N 2 2 344.481 -1.483 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160584832 793408432 /nfs/dbraw/zinc/40/84/32/793408432.db2.gz IIXYRCOUMZXLJY-UKRRQHHQSA-N 2 2 344.481 -1.483 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160584834 793408598 /nfs/dbraw/zinc/40/85/98/793408598.db2.gz IIXYRCOUMZXLJY-ZFWWWQNUSA-N 2 2 344.481 -1.483 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160584836 793408370 /nfs/dbraw/zinc/40/83/70/793408370.db2.gz IIZFUDWGQOTTKW-UHFFFAOYSA-N 2 2 332.470 -1.354 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160585629 793408220 /nfs/dbraw/zinc/40/82/20/793408220.db2.gz MKOBCMKKPXANBB-MELADBBJSA-N 2 2 344.481 -1.485 20 0 EAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160586316 793408392 /nfs/dbraw/zinc/40/83/92/793408392.db2.gz ZPQWDKXLAVVZDL-NFAWXSAZSA-N 2 2 344.481 -1.213 20 0 EAADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2)c1 ZINC001160606541 793408706 /nfs/dbraw/zinc/40/87/06/793408706.db2.gz XUYRYSVMXZNXNW-STQMWFEESA-N 2 2 335.408 -1.137 20 0 EAADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160629896 793408118 /nfs/dbraw/zinc/40/81/18/793408118.db2.gz SMGMOQVBIXHMHK-LBPRGKRZSA-N 3 2 326.449 -1.199 20 0 EAADLP CN1CCN(C2CN(C(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)C2)CC1=O ZINC001160635984 793573150 /nfs/dbraw/zinc/57/31/50/793573150.db2.gz NXAQRFDDDVUXOM-AWEZNQCLSA-N 2 2 338.456 -2.278 20 0 EAADLP CN1CCN(C2CN(C(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)C2)CC1=O ZINC001160635991 793573226 /nfs/dbraw/zinc/57/32/26/793573226.db2.gz NXAQRFDDDVUXOM-CQSZACIVSA-N 2 2 338.456 -2.278 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160693727 793575770 /nfs/dbraw/zinc/57/57/70/793575770.db2.gz OWJWLYGIGMFMOD-AXFHLTTASA-N 2 2 336.396 -1.177 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160693728 793575503 /nfs/dbraw/zinc/57/55/03/793575503.db2.gz OWJWLYGIGMFMOD-DCAQKATOSA-N 2 2 336.396 -1.177 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726773 793576042 /nfs/dbraw/zinc/57/60/42/793576042.db2.gz UJMRIRDMLOGHBD-JQWIXIFHSA-N 2 2 336.396 -1.246 20 0 EAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160774521 793577101 /nfs/dbraw/zinc/57/71/01/793577101.db2.gz VKVZSRIQXGKISD-BBBLOLIVSA-N 2 2 331.394 -2.136 20 0 EAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160774522 793576857 /nfs/dbraw/zinc/57/68/57/793576857.db2.gz VKVZSRIQXGKISD-UTLUCORTSA-N 2 2 331.394 -2.136 20 0 EAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]1C2 ZINC001160791888 793576891 /nfs/dbraw/zinc/57/68/91/793576891.db2.gz HBBOWJOBPXXMLN-JKMTWNBGSA-N 3 2 348.447 -1.207 20 0 EAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160792196 793578473 /nfs/dbraw/zinc/57/84/73/793578473.db2.gz SGORHEZENPDAHF-XMQPUEPBSA-N 2 2 339.392 -1.266 20 0 EAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]1C2 ZINC001160792222 793578755 /nfs/dbraw/zinc/57/87/55/793578755.db2.gz UDJJOVGDWIYSIN-IRJIBSAUSA-N 3 2 348.447 -1.205 20 0 EAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]1C2 ZINC001160792223 793579222 /nfs/dbraw/zinc/57/92/22/793579222.db2.gz UDJJOVGDWIYSIN-JJQAWATESA-N 3 2 348.447 -1.205 20 0 EAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]1C2 ZINC001160792224 793579567 /nfs/dbraw/zinc/57/95/67/793579567.db2.gz UDJJOVGDWIYSIN-OMYOZJEQSA-N 3 2 348.447 -1.205 20 0 EAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]1C2 ZINC001160792225 793579582 /nfs/dbraw/zinc/57/95/82/793579582.db2.gz UDJJOVGDWIYSIN-ZRGCGHPPSA-N 3 2 348.447 -1.205 20 0 EAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]1C2 ZINC001160794084 793578368 /nfs/dbraw/zinc/57/83/68/793578368.db2.gz KQTGAVBAOULQPE-IATRGZMQSA-N 3 2 336.436 -1.076 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811298 793579551 /nfs/dbraw/zinc/57/95/51/793579551.db2.gz MXJRHKCPIGJPDR-RKWLLSJHSA-N 3 2 336.436 -1.063 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]1C[NH2+]CC2 ZINC001160811299 793578602 /nfs/dbraw/zinc/57/86/02/793578602.db2.gz MXQWBYJQSLGOAI-MLGOLLRUSA-N 2 2 338.408 -1.581 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)C[C@H]([NH3+])C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001160811408 793578278 /nfs/dbraw/zinc/57/82/78/793578278.db2.gz PHVXYEHESSNWFK-JRPNMDOOSA-N 2 2 327.381 -1.122 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]1C[NH2+]CC2 ZINC001160811912 793579169 /nfs/dbraw/zinc/57/91/69/793579169.db2.gz XRFOEHNXPYTVNT-BQGCOEIASA-N 3 2 336.436 -1.061 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]1C[NH2+]CC2 ZINC001160811913 793578663 /nfs/dbraw/zinc/57/86/63/793578663.db2.gz XRFOEHNXPYTVNT-IXKJSCDLSA-N 3 2 336.436 -1.061 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]1C[NH2+]CC2 ZINC001160811914 793578699 /nfs/dbraw/zinc/57/86/99/793578699.db2.gz XRFOEHNXPYTVNT-KFZJALRRSA-N 3 2 336.436 -1.061 20 0 EAADLP CCOC(=O)[C@]12CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]1C[NH2+]CC2 ZINC001160811915 793579015 /nfs/dbraw/zinc/57/90/15/793579015.db2.gz XRFOEHNXPYTVNT-NSNWQYSKSA-N 3 2 336.436 -1.061 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160825653 793578717 /nfs/dbraw/zinc/57/87/17/793578717.db2.gz HFEVRXXJCNLGJV-JQWIXIFHSA-N 2 2 336.396 -1.863 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001160862693 793580783 /nfs/dbraw/zinc/58/07/83/793580783.db2.gz VCGANDQQIXGKPR-GHMZBOCLSA-N 2 2 326.401 -1.577 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001160862693 793580777 /nfs/dbraw/zinc/58/07/77/793580777.db2.gz VCGANDQQIXGKPR-GHMZBOCLSA-N 2 2 326.401 -1.577 20 0 EAADLP [NH3+]C/C=C/CNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001160977323 793582885 /nfs/dbraw/zinc/58/28/85/793582885.db2.gz UJSGXKVFKJZYEG-OWOJBTEDSA-N 2 2 335.412 -1.107 20 0 EAADLP [NH3+]C/C=C/CNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001160977323 793582878 /nfs/dbraw/zinc/58/28/78/793582878.db2.gz UJSGXKVFKJZYEG-OWOJBTEDSA-N 2 2 335.412 -1.107 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009162 793584360 /nfs/dbraw/zinc/58/43/60/793584360.db2.gz SVAZGQXJDZUHQB-KBPBESRZSA-N 3 2 325.457 -1.548 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009163 793584075 /nfs/dbraw/zinc/58/40/75/793584075.db2.gz SVAZGQXJDZUHQB-KGLIPLIRSA-N 3 2 325.457 -1.548 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009164 793584149 /nfs/dbraw/zinc/58/41/49/793584149.db2.gz SVAZGQXJDZUHQB-UONOGXRCSA-N 3 2 325.457 -1.548 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009165 793585071 /nfs/dbraw/zinc/58/50/71/793585071.db2.gz SVAZGQXJDZUHQB-ZIAGYGMSSA-N 3 2 325.457 -1.548 20 0 EAADLP O=C1C[NH2+]CCN1CCNc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001161024156 793584269 /nfs/dbraw/zinc/58/42/69/793584269.db2.gz HHAHNXVZGHWULK-UHFFFAOYSA-N 2 2 347.423 -1.240 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067142 793584745 /nfs/dbraw/zinc/58/47/45/793584745.db2.gz FPTUAYKUJPANPE-SRVKXCTJSA-N 2 2 339.421 -1.493 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067144 793583838 /nfs/dbraw/zinc/58/38/38/793583838.db2.gz FPTUAYKUJPANPE-WOPDTQHZSA-N 2 2 339.421 -1.493 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068483 793584771 /nfs/dbraw/zinc/58/47/71/793584771.db2.gz RWZBPEODVKCLKL-SRVKXCTJSA-N 2 2 339.421 -1.350 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068484 793583514 /nfs/dbraw/zinc/58/35/14/793583514.db2.gz RWZBPEODVKCLKL-TUAOUCFPSA-N 2 2 339.421 -1.350 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068485 793583771 /nfs/dbraw/zinc/58/37/71/793583771.db2.gz RWZBPEODVKCLKL-UTUOFQBUSA-N 2 2 339.421 -1.350 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068486 793584881 /nfs/dbraw/zinc/58/48/81/793584881.db2.gz RWZBPEODVKCLKL-WOPDTQHZSA-N 2 2 339.421 -1.350 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC001161137691 793589133 /nfs/dbraw/zinc/58/91/33/793589133.db2.gz GHAIVBDEPIYCOD-PGUXBMHVSA-N 2 2 328.413 -1.033 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC001161137693 793588368 /nfs/dbraw/zinc/58/83/68/793588368.db2.gz GHAIVBDEPIYCOD-ZIBATOQPSA-N 2 2 328.413 -1.033 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001161137954 793588721 /nfs/dbraw/zinc/58/87/21/793588721.db2.gz IVLSXCWWZLSJLB-MKBNYLNASA-N 2 2 338.408 -1.168 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001161137955 793588728 /nfs/dbraw/zinc/58/87/28/793588728.db2.gz IVLSXCWWZLSJLB-MQIPJXDCSA-N 2 2 338.408 -1.168 20 0 EAADLP CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1C[NH+](C)C1 ZINC001161138042 793589522 /nfs/dbraw/zinc/58/95/22/793589522.db2.gz LNZXUGNHJBVLTD-UHFFFAOYSA-N 2 2 342.400 -3.544 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161138227 793588499 /nfs/dbraw/zinc/58/84/99/793588499.db2.gz PYROCBQQJDMSAR-BMIGLBTASA-N 2 2 349.395 -1.973 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161138228 793588884 /nfs/dbraw/zinc/58/88/84/793588884.db2.gz PYROCBQQJDMSAR-BONVTDFDSA-N 2 2 349.395 -1.973 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161138229 793588344 /nfs/dbraw/zinc/58/83/44/793588344.db2.gz PYROCBQQJDMSAR-MEBBXXQBSA-N 2 2 349.395 -1.973 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161138230 793588999 /nfs/dbraw/zinc/58/89/99/793588999.db2.gz PYROCBQQJDMSAR-ZUZCIYMTSA-N 2 2 349.395 -1.973 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001161138417 793589428 /nfs/dbraw/zinc/58/94/28/793589428.db2.gz URMCVPZUIYZNTA-BDJLRTHQSA-N 2 2 348.407 -1.368 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001161138418 793588541 /nfs/dbraw/zinc/58/85/41/793588541.db2.gz URMCVPZUIYZNTA-BZNIZROVSA-N 2 2 348.407 -1.368 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001161138419 793589617 /nfs/dbraw/zinc/58/96/17/793589617.db2.gz URMCVPZUIYZNTA-MEDUHNTESA-N 2 2 348.407 -1.368 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001161138420 793588625 /nfs/dbraw/zinc/58/86/25/793588625.db2.gz URMCVPZUIYZNTA-ZBEGNZNMSA-N 2 2 348.407 -1.368 20 0 EAADLP CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C1C[NH+](C)C1 ZINC001161138422 793588839 /nfs/dbraw/zinc/58/88/39/793588839.db2.gz USZKIFYCBHIAOT-AAEUAGOBSA-N 2 2 339.440 -1.397 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C1 ZINC001161138479 793588520 /nfs/dbraw/zinc/58/85/20/793588520.db2.gz BFSHHKFSILPRTC-ATEUNZGCSA-N 2 2 343.384 -2.813 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C1 ZINC001161138480 793589023 /nfs/dbraw/zinc/58/90/23/793589023.db2.gz BFSHHKFSILPRTC-QIBSRJKCSA-N 2 2 343.384 -2.813 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138595 793589091 /nfs/dbraw/zinc/58/90/91/793589091.db2.gz WSCNJLIQFQANJF-BLLLJJGKSA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138595 793589084 /nfs/dbraw/zinc/58/90/84/793589084.db2.gz WSCNJLIQFQANJF-BLLLJJGKSA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138596 793589559 /nfs/dbraw/zinc/58/95/59/793589559.db2.gz WSCNJLIQFQANJF-LRDDRELGSA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138596 793589553 /nfs/dbraw/zinc/58/95/53/793589553.db2.gz WSCNJLIQFQANJF-LRDDRELGSA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138597 793589690 /nfs/dbraw/zinc/58/96/90/793589690.db2.gz WSCNJLIQFQANJF-MLGOLLRUSA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138597 793589685 /nfs/dbraw/zinc/58/96/85/793589685.db2.gz WSCNJLIQFQANJF-MLGOLLRUSA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138598 793589248 /nfs/dbraw/zinc/58/92/48/793589248.db2.gz WSCNJLIQFQANJF-WBMJQRKESA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138598 793589238 /nfs/dbraw/zinc/58/92/38/793589238.db2.gz WSCNJLIQFQANJF-WBMJQRKESA-N 3 2 340.424 -1.458 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])C1 ZINC001161138667 793588812 /nfs/dbraw/zinc/58/88/12/793588812.db2.gz CVSHAGXCSFMYJB-GUYCJALGSA-N 2 2 348.403 -1.225 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])C1 ZINC001161138668 793589392 /nfs/dbraw/zinc/58/93/92/793589392.db2.gz CVSHAGXCSFMYJB-SUMWQHHRSA-N 2 2 348.403 -1.225 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C1 ZINC001161139366 793588659 /nfs/dbraw/zinc/58/86/59/793588659.db2.gz RQINTVICTHNTMY-HNNXBMFYSA-N 2 2 334.380 -1.397 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C1 ZINC001161139367 793588931 /nfs/dbraw/zinc/58/89/31/793588931.db2.gz RQINTVICTHNTMY-OAHLLOKOSA-N 2 2 334.380 -1.397 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001161139420 793588792 /nfs/dbraw/zinc/58/87/92/793588792.db2.gz SXTFMYMXOIYHTF-UPFKWVMWSA-N 2 2 329.357 -3.203 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001161139421 793588570 /nfs/dbraw/zinc/58/85/70/793588570.db2.gz SXTFMYMXOIYHTF-UVPNAGLESA-N 2 2 329.357 -3.203 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001161139486 793588459 /nfs/dbraw/zinc/58/84/59/793588459.db2.gz VQKNLHROPGJHSP-BONVTDFDSA-N 2 2 344.412 -1.652 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001161139487 793589060 /nfs/dbraw/zinc/58/90/60/793589060.db2.gz VQKNLHROPGJHSP-ZUZCIYMTSA-N 2 2 344.412 -1.652 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001161139545 793589370 /nfs/dbraw/zinc/58/93/70/793589370.db2.gz WYWKJVPRIHJCOI-GUYCJALGSA-N 2 2 348.403 -1.225 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001161139546 793589313 /nfs/dbraw/zinc/58/93/13/793589313.db2.gz WYWKJVPRIHJCOI-SUMWQHHRSA-N 2 2 348.403 -1.225 20 0 EAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C1 ZINC001161139666 793589159 /nfs/dbraw/zinc/58/91/59/793589159.db2.gz ZXLWPDDHDSVMPV-AMJWSMQMSA-N 2 2 342.396 -1.600 20 0 EAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C1 ZINC001161139667 793588591 /nfs/dbraw/zinc/58/85/91/793588591.db2.gz ZXLWPDDHDSVMPV-YHAQOWFVSA-N 2 2 342.396 -1.600 20 0 EAADLP O=C(N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161150081 793588915 /nfs/dbraw/zinc/58/89/15/793588915.db2.gz DPEYLKJCVXEQAW-DVDRELOLSA-N 2 2 333.392 -1.331 20 0 EAADLP O=C(N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161150082 793589598 /nfs/dbraw/zinc/58/95/98/793589598.db2.gz DPEYLKJCVXEQAW-KGBDEVKLSA-N 2 2 333.392 -1.331 20 0 EAADLP O=C(N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161150083 793589116 /nfs/dbraw/zinc/58/91/16/793589116.db2.gz DPEYLKJCVXEQAW-PXBMDUEWSA-N 2 2 333.392 -1.331 20 0 EAADLP O=C(N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161150084 793588555 /nfs/dbraw/zinc/58/85/55/793588555.db2.gz DPEYLKJCVXEQAW-VUUPRTBPSA-N 2 2 333.392 -1.331 20 0 EAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001161150360 793589648 /nfs/dbraw/zinc/58/96/48/793589648.db2.gz HVJRLRJHSSUQNG-NLSAWCHPSA-N 2 2 333.392 -1.332 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161174791 793592047 /nfs/dbraw/zinc/59/20/47/793592047.db2.gz FURLEJPWSNDORU-RYUDHWBXSA-N 2 2 330.429 -1.884 20 0 EAADLP N[C@@H](C[NH3+])C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196505 793591975 /nfs/dbraw/zinc/59/19/75/793591975.db2.gz KHMQIAAUDMUYKF-HNNXBMFYSA-N 3 2 327.473 -1.177 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209294 793042024 /nfs/dbraw/zinc/04/20/24/793042024.db2.gz GPJSEIGXPBCFPY-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209295 793041789 /nfs/dbraw/zinc/04/17/89/793041789.db2.gz GPJSEIGXPBCFPY-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161236631 793593297 /nfs/dbraw/zinc/59/32/97/793593297.db2.gz GNFORBGAWPGONE-JTQLQIEISA-N 2 2 336.414 -2.478 20 0 EAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161236631 793593291 /nfs/dbraw/zinc/59/32/91/793593291.db2.gz GNFORBGAWPGONE-JTQLQIEISA-N 2 2 336.414 -2.478 20 0 EAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161236632 793593880 /nfs/dbraw/zinc/59/38/80/793593880.db2.gz GNFORBGAWPGONE-SNVBAGLBSA-N 2 2 336.414 -2.478 20 0 EAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161236632 793593875 /nfs/dbraw/zinc/59/38/75/793593875.db2.gz GNFORBGAWPGONE-SNVBAGLBSA-N 2 2 336.414 -2.478 20 0 EAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161237500 793593600 /nfs/dbraw/zinc/59/36/00/793593600.db2.gz KZRBJAGRKCMBRC-NWDGAFQWSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161237500 793593595 /nfs/dbraw/zinc/59/35/95/793593595.db2.gz KZRBJAGRKCMBRC-NWDGAFQWSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161237501 793593151 /nfs/dbraw/zinc/59/31/51/793593151.db2.gz KZRBJAGRKCMBRC-RYUDHWBXSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161237501 793593146 /nfs/dbraw/zinc/59/31/46/793593146.db2.gz KZRBJAGRKCMBRC-RYUDHWBXSA-N 2 2 326.397 -1.358 20 0 EAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161238435 793593865 /nfs/dbraw/zinc/59/38/65/793593865.db2.gz UIHCDKXOOGCJRU-NWDGAFQWSA-N 2 2 328.413 -1.208 20 0 EAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161238435 793593859 /nfs/dbraw/zinc/59/38/59/793593859.db2.gz UIHCDKXOOGCJRU-NWDGAFQWSA-N 2 2 328.413 -1.208 20 0 EAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161238436 793593440 /nfs/dbraw/zinc/59/34/40/793593440.db2.gz UIHCDKXOOGCJRU-RYUDHWBXSA-N 2 2 328.413 -1.208 20 0 EAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161238436 793593434 /nfs/dbraw/zinc/59/34/34/793593434.db2.gz UIHCDKXOOGCJRU-RYUDHWBXSA-N 2 2 328.413 -1.208 20 0 EAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161238437 793594112 /nfs/dbraw/zinc/59/41/12/793594112.db2.gz UJJFYQFUWNQHSP-QWHCGFSZSA-N 2 2 328.413 -1.064 20 0 EAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161238437 793594109 /nfs/dbraw/zinc/59/41/09/793594109.db2.gz UJJFYQFUWNQHSP-QWHCGFSZSA-N 2 2 328.413 -1.064 20 0 EAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161238438 793593627 /nfs/dbraw/zinc/59/36/27/793593627.db2.gz UJJFYQFUWNQHSP-STQMWFEESA-N 2 2 328.413 -1.064 20 0 EAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161238438 793593624 /nfs/dbraw/zinc/59/36/24/793593624.db2.gz UJJFYQFUWNQHSP-STQMWFEESA-N 2 2 328.413 -1.064 20 0 EAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001161238611 793594076 /nfs/dbraw/zinc/59/40/76/793594076.db2.gz UTOPIIYTHTWAAV-GVXVVHGQSA-N 2 2 328.413 -1.208 20 0 EAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001161238611 793594069 /nfs/dbraw/zinc/59/40/69/793594069.db2.gz UTOPIIYTHTWAAV-GVXVVHGQSA-N 2 2 328.413 -1.208 20 0 EAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001161238612 793593837 /nfs/dbraw/zinc/59/38/37/793593837.db2.gz UTOPIIYTHTWAAV-LOWVWBTDSA-N 2 2 328.413 -1.208 20 0 EAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001161238612 793593832 /nfs/dbraw/zinc/59/38/32/793593832.db2.gz UTOPIIYTHTWAAV-LOWVWBTDSA-N 2 2 328.413 -1.208 20 0 EAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161239253 793593902 /nfs/dbraw/zinc/59/39/02/793593902.db2.gz YNXHYNYCKIISIQ-GUBZILKMSA-N 2 2 343.384 -2.991 20 0 EAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161239253 793593895 /nfs/dbraw/zinc/59/38/95/793593895.db2.gz YNXHYNYCKIISIQ-GUBZILKMSA-N 2 2 343.384 -2.991 20 0 EAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161239254 793593366 /nfs/dbraw/zinc/59/33/66/793593366.db2.gz YNXHYNYCKIISIQ-LPEHRKFASA-N 2 2 343.384 -2.991 20 0 EAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161239254 793593356 /nfs/dbraw/zinc/59/33/56/793593356.db2.gz YNXHYNYCKIISIQ-LPEHRKFASA-N 2 2 343.384 -2.991 20 0 EAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001161260523 793592771 /nfs/dbraw/zinc/59/27/71/793592771.db2.gz PXSOSGAPDCBTRN-WCFLWFBJSA-N 2 2 330.454 -1.133 20 0 EAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161260558 793592962 /nfs/dbraw/zinc/59/29/62/793592962.db2.gz QSZPYARVWMTHAX-BXUZGUMPSA-N 2 2 330.454 -1.132 20 0 EAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161260560 793593685 /nfs/dbraw/zinc/59/36/85/793593685.db2.gz QSZPYARVWMTHAX-FZMZJTMJSA-N 2 2 330.454 -1.132 20 0 EAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161260562 793592786 /nfs/dbraw/zinc/59/27/86/793592786.db2.gz QSZPYARVWMTHAX-RISCZKNCSA-N 2 2 330.454 -1.132 20 0 EAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161260563 793593543 /nfs/dbraw/zinc/59/35/43/793593543.db2.gz QSZPYARVWMTHAX-SMDDNHRTSA-N 2 2 330.454 -1.132 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269824 793594529 /nfs/dbraw/zinc/59/45/29/793594529.db2.gz MREQAAQKXSCZMJ-STQMWFEESA-N 2 2 330.454 -1.050 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270030 793595446 /nfs/dbraw/zinc/59/54/46/793595446.db2.gz PPJZVLTUQLKQTK-STQMWFEESA-N 2 2 325.413 -1.434 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001161270630 793594413 /nfs/dbraw/zinc/59/44/13/793594413.db2.gz VQQZWUMLSZWMJR-AAEUAGOBSA-N 2 2 325.413 -1.292 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001161270634 793595492 /nfs/dbraw/zinc/59/54/92/793595492.db2.gz VQQZWUMLSZWMJR-YPMHNXCESA-N 2 2 325.413 -1.292 20 0 EAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCN1C(C)=O ZINC001161296302 793595594 /nfs/dbraw/zinc/59/55/94/793595594.db2.gz QYSUTNDZZQTXRG-QWHCGFSZSA-N 2 2 337.380 -1.478 20 0 EAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCN1C(C)=O ZINC001161296303 793594643 /nfs/dbraw/zinc/59/46/43/793594643.db2.gz QYSUTNDZZQTXRG-STQMWFEESA-N 2 2 337.380 -1.478 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301022 793596786 /nfs/dbraw/zinc/59/67/86/793596786.db2.gz RDJSGNATXVUFKU-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301023 793596161 /nfs/dbraw/zinc/59/61/61/793596161.db2.gz RDJSGNATXVUFKU-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161314585 793597065 /nfs/dbraw/zinc/59/70/65/793597065.db2.gz DEQVECSKJKZJBB-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161314586 793596806 /nfs/dbraw/zinc/59/68/06/793596806.db2.gz DEQVECSKJKZJBB-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315061 793596269 /nfs/dbraw/zinc/59/62/69/793596269.db2.gz NNCMWMNSMVRSQZ-LLVKDONJSA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315062 793597452 /nfs/dbraw/zinc/59/74/52/793597452.db2.gz NNCMWMNSMVRSQZ-NSHDSACASA-N 2 2 336.396 -1.003 20 0 EAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380330 793597472 /nfs/dbraw/zinc/59/74/72/793597472.db2.gz UMMWKHQJHCEKBD-CHWSQXEVSA-N 3 2 326.445 -1.214 20 0 EAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380331 793596933 /nfs/dbraw/zinc/59/69/33/793596933.db2.gz UMMWKHQJHCEKBD-QWHCGFSZSA-N 3 2 326.445 -1.214 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381936 793596580 /nfs/dbraw/zinc/59/65/80/793596580.db2.gz RVXIMMPKTMOJGZ-DRZSPHRISA-N 3 2 327.429 -2.165 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381937 793596363 /nfs/dbraw/zinc/59/63/63/793596363.db2.gz RVXIMMPKTMOJGZ-UHTWSYAYSA-N 3 2 327.429 -2.165 20 0 EAADLP C[N@@H+](C1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1)[C@H]1CCOC1 ZINC001161500651 793602145 /nfs/dbraw/zinc/60/21/45/793602145.db2.gz SSCCBNMUWDOFFV-DZGCQCFKSA-N 3 2 325.457 -1.332 20 0 EAADLP C[N@H+](C1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1)[C@H]1CCOC1 ZINC001161500651 793602140 /nfs/dbraw/zinc/60/21/40/793602140.db2.gz SSCCBNMUWDOFFV-DZGCQCFKSA-N 3 2 325.457 -1.332 20 0 EAADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1)[C@H]1CCOC1 ZINC001161500652 793602865 /nfs/dbraw/zinc/60/28/65/793602865.db2.gz SSCCBNMUWDOFFV-ZFWWWQNUSA-N 3 2 325.457 -1.332 20 0 EAADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1)[C@H]1CCOC1 ZINC001161500652 793602860 /nfs/dbraw/zinc/60/28/60/793602860.db2.gz SSCCBNMUWDOFFV-ZFWWWQNUSA-N 3 2 325.457 -1.332 20 0 EAADLP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C[C@H]2C(=O)N(C)C ZINC001161506554 793604225 /nfs/dbraw/zinc/60/42/25/793604225.db2.gz LHURRRZGSHIGQR-AGIUHOORSA-N 2 2 337.424 -1.929 20 0 EAADLP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C[C@@H]2C(=O)N(C)C ZINC001161506555 793603432 /nfs/dbraw/zinc/60/34/32/793603432.db2.gz LHURRRZGSHIGQR-UPJWGTAASA-N 2 2 337.424 -1.929 20 0 EAADLP CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C[C@H]2C(=O)N(C)C ZINC001161507749 793604186 /nfs/dbraw/zinc/60/41/86/793604186.db2.gz VCXOHULIPLSSEP-AVGNSLFASA-N 2 2 337.424 -2.072 20 0 EAADLP CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161507750 793603452 /nfs/dbraw/zinc/60/34/52/793603452.db2.gz VCXOHULIPLSSEP-XQQFMLRXSA-N 2 2 337.424 -2.072 20 0 EAADLP COCC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](CC(N)=O)CC1 ZINC001162187746 793617985 /nfs/dbraw/zinc/61/79/85/793617985.db2.gz GEBKEGIVLPIIHJ-CYBMUJFWSA-N 2 2 342.440 -1.353 20 0 EAADLP COCC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](CC(N)=O)CC1 ZINC001162187746 793617978 /nfs/dbraw/zinc/61/79/78/793617978.db2.gz GEBKEGIVLPIIHJ-CYBMUJFWSA-N 2 2 342.440 -1.353 20 0 EAADLP COCC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](CC(N)=O)CC1 ZINC001162187747 793618250 /nfs/dbraw/zinc/61/82/50/793618250.db2.gz GEBKEGIVLPIIHJ-ZDUSSCGKSA-N 2 2 342.440 -1.353 20 0 EAADLP COCC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](CC(N)=O)CC1 ZINC001162187747 793618244 /nfs/dbraw/zinc/61/82/44/793618244.db2.gz GEBKEGIVLPIIHJ-ZDUSSCGKSA-N 2 2 342.440 -1.353 20 0 EAADLP CCc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001162446876 793625852 /nfs/dbraw/zinc/62/58/52/793625852.db2.gz JRLYAJJZWNLNLQ-HZSPNIEDSA-N 2 2 334.428 -1.628 20 0 EAADLP CCc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001162446880 793625927 /nfs/dbraw/zinc/62/59/27/793625927.db2.gz JRLYAJJZWNLNLQ-IHRRRGAJSA-N 2 2 334.428 -1.628 20 0 EAADLP CCc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001162446881 793625819 /nfs/dbraw/zinc/62/58/19/793625819.db2.gz JRLYAJJZWNLNLQ-MELADBBJSA-N 2 2 334.428 -1.628 20 0 EAADLP CCc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001162446882 793625784 /nfs/dbraw/zinc/62/57/84/793625784.db2.gz JRLYAJJZWNLNLQ-RDBSUJKOSA-N 2 2 334.428 -1.628 20 0 EAADLP [NH3+][C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001162447411 793626124 /nfs/dbraw/zinc/62/61/24/793626124.db2.gz MMBNXUDWMQNDBO-BZPMIXESSA-N 2 2 332.412 -2.376 20 0 EAADLP [NH3+][C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001162447412 793625723 /nfs/dbraw/zinc/62/57/23/793625723.db2.gz MMBNXUDWMQNDBO-OUCADQQQSA-N 2 2 332.412 -2.376 20 0 EAADLP [NH3+][C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001162447413 793626028 /nfs/dbraw/zinc/62/60/28/793626028.db2.gz MMBNXUDWMQNDBO-SCRDCRAPSA-N 2 2 332.412 -2.376 20 0 EAADLP [NH3+][C@@H]1NCN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001162447414 793626116 /nfs/dbraw/zinc/62/61/16/793626116.db2.gz MMBNXUDWMQNDBO-YRGRVCCFSA-N 2 2 332.412 -2.376 20 0 EAADLP [NH3+][C@@H]1NCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162450001 793626273 /nfs/dbraw/zinc/62/62/73/793626273.db2.gz YRWVITUSKGSSPB-BZPMIXESSA-N 2 2 347.427 -2.587 20 0 EAADLP [NH3+][C@@H]1NCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162450002 793626858 /nfs/dbraw/zinc/62/68/58/793626858.db2.gz YRWVITUSKGSSPB-OUCADQQQSA-N 2 2 347.427 -2.587 20 0 EAADLP [NH3+][C@@H]1NCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162450003 793626599 /nfs/dbraw/zinc/62/65/99/793626599.db2.gz YRWVITUSKGSSPB-SCRDCRAPSA-N 2 2 347.427 -2.587 20 0 EAADLP [NH3+][C@@H]1NCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162450004 793626005 /nfs/dbraw/zinc/62/60/05/793626005.db2.gz YRWVITUSKGSSPB-YRGRVCCFSA-N 2 2 347.427 -2.587 20 0 EAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc[nH+]c(N)n1 ZINC001162844518 793629771 /nfs/dbraw/zinc/62/97/71/793629771.db2.gz BUIWLCBXHXKQRV-QWRGUYRKSA-N 2 2 344.379 -1.409 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001162872478 793630990 /nfs/dbraw/zinc/63/09/90/793630990.db2.gz TVLDHYKDNFGQBE-AVERBVTBSA-N 2 2 335.412 -1.331 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872478 793630986 /nfs/dbraw/zinc/63/09/86/793630986.db2.gz TVLDHYKDNFGQBE-AVERBVTBSA-N 2 2 335.412 -1.331 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001162872479 793630887 /nfs/dbraw/zinc/63/08/87/793630887.db2.gz TVLDHYKDNFGQBE-MQYJIDSJSA-N 2 2 335.412 -1.331 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872479 793630880 /nfs/dbraw/zinc/63/08/80/793630880.db2.gz TVLDHYKDNFGQBE-MQYJIDSJSA-N 2 2 335.412 -1.331 20 0 EAADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995836 793631815 /nfs/dbraw/zinc/63/18/15/793631815.db2.gz GIGKXFSHBYFTSF-KGLIPLIRSA-N 2 2 342.440 -1.292 20 0 EAADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001162996614 793631281 /nfs/dbraw/zinc/63/12/81/793631281.db2.gz WQASFJYACAKVIB-MCIONIFRSA-N 2 2 342.440 -1.164 20 0 EAADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(N)=O ZINC001162996615 793631338 /nfs/dbraw/zinc/63/13/38/793631338.db2.gz WQASFJYACAKVIB-MJBXVCDLSA-N 2 2 342.440 -1.164 20 0 EAADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996762 793631960 /nfs/dbraw/zinc/63/19/60/793631960.db2.gz ZIVSYCHOBDLWIN-OLZOCXBDSA-N 2 2 328.413 -1.553 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001163051304 793634596 /nfs/dbraw/zinc/63/45/96/793634596.db2.gz VNLKDEOWMXICDC-UHFFFAOYSA-N 2 2 331.442 -1.002 20 0 EAADLP CN1CCN(c2cc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)nc[nH+]2)CC1=O ZINC001163242866 793637194 /nfs/dbraw/zinc/63/71/94/793637194.db2.gz RAAGFQUOASVDDJ-BMIGLBTASA-N 2 2 331.380 -1.255 20 0 EAADLP CN1CCN(c2cc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)nc[nH+]2)CC1=O ZINC001163242867 793637048 /nfs/dbraw/zinc/63/70/48/793637048.db2.gz RAAGFQUOASVDDJ-BONVTDFDSA-N 2 2 331.380 -1.255 20 0 EAADLP CN1CCN(c2cc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)nc[nH+]2)CC1=O ZINC001163242868 793638730 /nfs/dbraw/zinc/63/87/30/793638730.db2.gz RAAGFQUOASVDDJ-MEBBXXQBSA-N 2 2 331.380 -1.255 20 0 EAADLP CN1CCN(c2cc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)nc[nH+]2)CC1=O ZINC001163242869 793637842 /nfs/dbraw/zinc/63/78/42/793637842.db2.gz RAAGFQUOASVDDJ-ZUZCIYMTSA-N 2 2 331.380 -1.255 20 0 EAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163274790 793638985 /nfs/dbraw/zinc/63/89/85/793638985.db2.gz GLPOOBSCZHDYCH-GFCCVEGCSA-N 2 2 343.428 -1.222 20 0 EAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163274790 793638982 /nfs/dbraw/zinc/63/89/82/793638982.db2.gz GLPOOBSCZHDYCH-GFCCVEGCSA-N 2 2 343.428 -1.222 20 0 EAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163274791 793638359 /nfs/dbraw/zinc/63/83/59/793638359.db2.gz GLPOOBSCZHDYCH-LBPRGKRZSA-N 2 2 343.428 -1.222 20 0 EAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163274791 793638353 /nfs/dbraw/zinc/63/83/53/793638353.db2.gz GLPOOBSCZHDYCH-LBPRGKRZSA-N 2 2 343.428 -1.222 20 0 EAADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001163593012 793644580 /nfs/dbraw/zinc/64/45/80/793644580.db2.gz BNHVJEYDAUMQMA-UHFFFAOYSA-N 2 2 336.396 -1.673 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)n(C)c1=O ZINC001163598914 793644835 /nfs/dbraw/zinc/64/48/35/793644835.db2.gz IYGLSULDNBGJNE-UHFFFAOYSA-N 2 2 348.407 -1.033 20 0 EAADLP CS(=O)(=O)N1CCN(c2cccc(N(CC[NH3+])CCO)[nH+]2)CC1 ZINC001163829955 793647376 /nfs/dbraw/zinc/64/73/76/793647376.db2.gz LFXVXKOGRXWQEX-UHFFFAOYSA-N 2 2 343.453 -1.079 20 0 EAADLP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940096 793653656 /nfs/dbraw/zinc/65/36/56/793653656.db2.gz IODQWMRCVHSBDO-GFCCVEGCSA-N 2 2 337.428 -1.083 20 0 EAADLP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940096 793653647 /nfs/dbraw/zinc/65/36/47/793653647.db2.gz IODQWMRCVHSBDO-GFCCVEGCSA-N 2 2 337.428 -1.083 20 0 EAADLP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940098 793653718 /nfs/dbraw/zinc/65/37/18/793653718.db2.gz IODQWMRCVHSBDO-LBPRGKRZSA-N 2 2 337.428 -1.083 20 0 EAADLP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940098 793653710 /nfs/dbraw/zinc/65/37/10/793653710.db2.gz IODQWMRCVHSBDO-LBPRGKRZSA-N 2 2 337.428 -1.083 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001164538914 786317064 /nfs/dbraw/zinc/31/70/64/786317064.db2.gz PPKLYKOMLBVKPV-GFCCVEGCSA-N 2 2 340.428 -1.187 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001164538914 786317054 /nfs/dbraw/zinc/31/70/54/786317054.db2.gz PPKLYKOMLBVKPV-GFCCVEGCSA-N 2 2 340.428 -1.187 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001164538915 786315893 /nfs/dbraw/zinc/31/58/93/786315893.db2.gz PPKLYKOMLBVKPV-LBPRGKRZSA-N 2 2 340.428 -1.187 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001164538915 786315881 /nfs/dbraw/zinc/31/58/81/786315881.db2.gz PPKLYKOMLBVKPV-LBPRGKRZSA-N 2 2 340.428 -1.187 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001164539182 793662315 /nfs/dbraw/zinc/66/23/15/793662315.db2.gz UFBIHDGIXNEREI-GFCCVEGCSA-N 2 2 325.417 -1.085 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001164539182 793662306 /nfs/dbraw/zinc/66/23/06/793662306.db2.gz UFBIHDGIXNEREI-GFCCVEGCSA-N 2 2 325.417 -1.085 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001164539186 793663317 /nfs/dbraw/zinc/66/33/17/793663317.db2.gz UFBIHDGIXNEREI-LBPRGKRZSA-N 2 2 325.417 -1.085 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001164539186 793663310 /nfs/dbraw/zinc/66/33/10/793663310.db2.gz UFBIHDGIXNEREI-LBPRGKRZSA-N 2 2 325.417 -1.085 20 0 EAADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc[nH+]1 ZINC001165284195 793666983 /nfs/dbraw/zinc/66/69/83/793666983.db2.gz PFBHGOOFUFAVSC-HSMVNMDESA-N 2 2 332.408 -1.051 20 0 EAADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)[nH+]cn1 ZINC001165284195 793666977 /nfs/dbraw/zinc/66/69/77/793666977.db2.gz PFBHGOOFUFAVSC-HSMVNMDESA-N 2 2 332.408 -1.051 20 0 EAADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc[nH+]1 ZINC001165284196 793666875 /nfs/dbraw/zinc/66/68/75/793666875.db2.gz PFBHGOOFUFAVSC-WQGACYEGSA-N 2 2 332.408 -1.051 20 0 EAADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)[nH+]cn1 ZINC001165284196 793666873 /nfs/dbraw/zinc/66/68/73/793666873.db2.gz PFBHGOOFUFAVSC-WQGACYEGSA-N 2 2 332.408 -1.051 20 0 EAADLP [NH3+][C@H]1[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]12 ZINC001165383065 793668047 /nfs/dbraw/zinc/66/80/47/793668047.db2.gz OHHKRICNWVKTHK-CLLJXQQHSA-N 2 2 347.423 -1.062 20 0 EAADLP [NH3+][C@H]1[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@@H]12 ZINC001165383065 793668041 /nfs/dbraw/zinc/66/80/41/793668041.db2.gz OHHKRICNWVKTHK-CLLJXQQHSA-N 2 2 347.423 -1.062 20 0 EAADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165442833 793668259 /nfs/dbraw/zinc/66/82/59/793668259.db2.gz RDBJSVJGBRLIOM-CYBMUJFWSA-N 2 2 348.407 -1.132 20 0 EAADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165442839 793669629 /nfs/dbraw/zinc/66/96/29/793669629.db2.gz RDBJSVJGBRLIOM-ZDUSSCGKSA-N 2 2 348.407 -1.132 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCn1cncn1 ZINC001165731505 793674127 /nfs/dbraw/zinc/67/41/27/793674127.db2.gz DQTBWCTYHYGCSE-AWEZNQCLSA-N 2 2 348.411 -1.156 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCn1cncn1 ZINC001165731505 793674122 /nfs/dbraw/zinc/67/41/22/793674122.db2.gz DQTBWCTYHYGCSE-AWEZNQCLSA-N 2 2 348.411 -1.156 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001165731558 793675256 /nfs/dbraw/zinc/67/52/56/793675256.db2.gz GYUGPIKBPNUSDH-OLZOCXBDSA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001165731558 793675250 /nfs/dbraw/zinc/67/52/50/793675250.db2.gz GYUGPIKBPNUSDH-OLZOCXBDSA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001165731559 793675459 /nfs/dbraw/zinc/67/54/59/793675459.db2.gz GYUGPIKBPNUSDH-STQMWFEESA-N 2 2 336.396 -1.559 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001165731559 793675453 /nfs/dbraw/zinc/67/54/53/793675453.db2.gz GYUGPIKBPNUSDH-STQMWFEESA-N 2 2 336.396 -1.559 20 0 EAADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731567 793675220 /nfs/dbraw/zinc/67/52/20/793675220.db2.gz HUSNRLZZXOGGCG-ZDUSSCGKSA-N 2 2 338.412 -1.311 20 0 EAADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731567 793675211 /nfs/dbraw/zinc/67/52/11/793675211.db2.gz HUSNRLZZXOGGCG-ZDUSSCGKSA-N 2 2 338.412 -1.311 20 0 EAADLP CC[C@@H]([NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O ZINC001165731624 793674736 /nfs/dbraw/zinc/67/47/36/793674736.db2.gz KTVPTHZACQBQGL-OLZOCXBDSA-N 2 2 338.412 -1.183 20 0 EAADLP CC[C@@H]([NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O ZINC001165731624 793674733 /nfs/dbraw/zinc/67/47/33/793674733.db2.gz KTVPTHZACQBQGL-OLZOCXBDSA-N 2 2 338.412 -1.183 20 0 EAADLP CC[C@H]([NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O ZINC001165731625 793674899 /nfs/dbraw/zinc/67/48/99/793674899.db2.gz KTVPTHZACQBQGL-STQMWFEESA-N 2 2 338.412 -1.183 20 0 EAADLP CC[C@H]([NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O ZINC001165731625 793674893 /nfs/dbraw/zinc/67/48/93/793674893.db2.gz KTVPTHZACQBQGL-STQMWFEESA-N 2 2 338.412 -1.183 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731632 793675535 /nfs/dbraw/zinc/67/55/35/793675535.db2.gz LFJTWRHUACPQJH-GWCFXTLKSA-N 2 2 338.412 -1.313 20 0 EAADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731632 793675530 /nfs/dbraw/zinc/67/55/30/793675530.db2.gz LFJTWRHUACPQJH-GWCFXTLKSA-N 2 2 338.412 -1.313 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731633 793675144 /nfs/dbraw/zinc/67/51/44/793675144.db2.gz LFJTWRHUACPQJH-MFKMUULPSA-N 2 2 338.412 -1.313 20 0 EAADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731633 793675142 /nfs/dbraw/zinc/67/51/42/793675142.db2.gz LFJTWRHUACPQJH-MFKMUULPSA-N 2 2 338.412 -1.313 20 0 EAADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731674 793674302 /nfs/dbraw/zinc/67/43/02/793674302.db2.gz NBEDYQZUBKYFFR-KBPBESRZSA-N 2 2 341.412 -1.440 20 0 EAADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731674 793674299 /nfs/dbraw/zinc/67/42/99/793674299.db2.gz NBEDYQZUBKYFFR-KBPBESRZSA-N 2 2 341.412 -1.440 20 0 EAADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731675 793674505 /nfs/dbraw/zinc/67/45/05/793674505.db2.gz NBEDYQZUBKYFFR-KGLIPLIRSA-N 2 2 341.412 -1.440 20 0 EAADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731675 793674497 /nfs/dbraw/zinc/67/44/97/793674497.db2.gz NBEDYQZUBKYFFR-KGLIPLIRSA-N 2 2 341.412 -1.440 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001165731730 793674938 /nfs/dbraw/zinc/67/49/38/793674938.db2.gz PZZGLGNLUPXYEN-AWEZNQCLSA-N 2 2 348.411 -1.119 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001165731730 793674933 /nfs/dbraw/zinc/67/49/33/793674933.db2.gz PZZGLGNLUPXYEN-AWEZNQCLSA-N 2 2 348.411 -1.119 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001165731989 793674250 /nfs/dbraw/zinc/67/42/50/793674250.db2.gz TVFHOBRWPKZVQD-ZDUSSCGKSA-N 2 2 338.412 -1.359 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001165731989 793674246 /nfs/dbraw/zinc/67/42/46/793674246.db2.gz TVFHOBRWPKZVQD-ZDUSSCGKSA-N 2 2 338.412 -1.359 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCOCCO ZINC001165731999 793675664 /nfs/dbraw/zinc/67/56/64/793675664.db2.gz UACOQYMKICIBPX-AWEZNQCLSA-N 2 2 341.412 -1.438 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCOCCO ZINC001165731999 793675663 /nfs/dbraw/zinc/67/56/63/793675663.db2.gz UACOQYMKICIBPX-AWEZNQCLSA-N 2 2 341.412 -1.438 20 0 EAADLP NC(=O)[C@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC[NH2+]1 ZINC001166723820 793685816 /nfs/dbraw/zinc/68/58/16/793685816.db2.gz GHEZZSXQRMKFJL-GFCCVEGCSA-N 2 2 333.396 -1.820 20 0 EAADLP NC(=O)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC[NH2+]1 ZINC001166723821 793686332 /nfs/dbraw/zinc/68/63/32/793686332.db2.gz GHEZZSXQRMKFJL-LBPRGKRZSA-N 2 2 333.396 -1.820 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001167349546 785124379 /nfs/dbraw/zinc/12/43/79/785124379.db2.gz AMOGSNBITZOWKL-GFCCVEGCSA-N 2 2 337.380 -1.442 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001167349547 785124849 /nfs/dbraw/zinc/12/48/49/785124849.db2.gz AMOGSNBITZOWKL-LBPRGKRZSA-N 2 2 337.380 -1.442 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)n(C)c1=O ZINC001167349934 785124591 /nfs/dbraw/zinc/12/45/91/785124591.db2.gz MDEVJSOUTLYMBA-UHFFFAOYSA-N 2 2 334.380 -1.354 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001167350227 785126866 /nfs/dbraw/zinc/12/68/66/785126866.db2.gz QSVWQPQVURSMCV-LLVKDONJSA-N 2 2 338.412 -1.359 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001167350228 785125941 /nfs/dbraw/zinc/12/59/41/785125941.db2.gz QSVWQPQVURSMCV-NSHDSACASA-N 2 2 338.412 -1.359 20 0 EAADLP OC[C@H]1O[C@H](O)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968193 785601445 /nfs/dbraw/zinc/60/14/45/785601445.db2.gz NUFLRGGGAGWRPQ-IAOFBZOJSA-N 2 2 342.436 -1.219 20 0 EAADLP OC[C@H]1O[C@H](O)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968193 785601441 /nfs/dbraw/zinc/60/14/41/785601441.db2.gz NUFLRGGGAGWRPQ-IAOFBZOJSA-N 2 2 342.436 -1.219 20 0 EAADLP OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968194 785602163 /nfs/dbraw/zinc/60/21/63/785602163.db2.gz NUFLRGGGAGWRPQ-OUUCUMNPSA-N 2 2 342.436 -1.219 20 0 EAADLP OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968194 785602157 /nfs/dbraw/zinc/60/21/57/785602157.db2.gz NUFLRGGGAGWRPQ-OUUCUMNPSA-N 2 2 342.436 -1.219 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001168043660 785669207 /nfs/dbraw/zinc/66/92/07/785669207.db2.gz LHAFVCNKUILJRD-UHFFFAOYSA-N 2 2 335.416 -1.122 20 0 EAADLP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168370981 785838314 /nfs/dbraw/zinc/83/83/14/785838314.db2.gz JKFIUGVAWNCXBZ-UHFFFAOYSA-N 2 2 325.413 -1.832 20 0 EAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)CC[NH+]2CCOCC2)nc1=O ZINC001168417140 785939039 /nfs/dbraw/zinc/93/90/39/785939039.db2.gz NIMOYFVYZOVVKX-UHFFFAOYSA-N 2 2 326.401 -1.573 20 0 EAADLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(N2CCOCC2)n1 ZINC001168735307 786183934 /nfs/dbraw/zinc/18/39/34/786183934.db2.gz NMKYLLWXJZRIAX-UHFFFAOYSA-N 2 2 336.400 -1.267 20 0 EAADLP COC(=O)C(C(=O)OC)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071239 786499435 /nfs/dbraw/zinc/49/94/35/786499435.db2.gz IOBGQQHJTTZDSV-SECBINFHSA-N 2 2 349.347 -1.046 20 0 EAADLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(N2CCOCC2)n1 ZINC001169071850 786498916 /nfs/dbraw/zinc/49/89/16/786498916.db2.gz NKIAYYPTKCFWBZ-SNVBAGLBSA-N 2 2 335.368 -1.235 20 0 EAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(C(=O)N2CCNC(=O)C2)cn1 ZINC001169072558 786499023 /nfs/dbraw/zinc/49/90/23/786499023.db2.gz OTFRHTNIQPPNKM-GFCCVEGCSA-N 2 2 344.375 -1.299 20 0 EAADLP CN1CCN(c2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncn2)CC1=O ZINC001169072678 786499397 /nfs/dbraw/zinc/49/93/97/786499397.db2.gz RLTRPUCUIGDNQF-LLVKDONJSA-N 2 2 331.380 -1.197 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108337 786501943 /nfs/dbraw/zinc/50/19/43/786501943.db2.gz RLOMQMWMLIKZEP-CLLJXQQHSA-N 2 2 340.424 -1.003 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108337 786501936 /nfs/dbraw/zinc/50/19/36/786501936.db2.gz RLOMQMWMLIKZEP-CLLJXQQHSA-N 2 2 340.424 -1.003 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108338 786502703 /nfs/dbraw/zinc/50/27/03/786502703.db2.gz RLOMQMWMLIKZEP-XYYAHUGASA-N 2 2 340.424 -1.003 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108338 786502700 /nfs/dbraw/zinc/50/27/00/786502700.db2.gz RLOMQMWMLIKZEP-XYYAHUGASA-N 2 2 340.424 -1.003 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001169212080 786502594 /nfs/dbraw/zinc/50/25/94/786502594.db2.gz OMWOLHXUJBFWKU-LLVKDONJSA-N 2 2 337.380 -1.442 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001169212081 786502231 /nfs/dbraw/zinc/50/22/31/786502231.db2.gz OMWOLHXUJBFWKU-NSHDSACASA-N 2 2 337.380 -1.442 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)n(C)c1=O ZINC001169229327 786501621 /nfs/dbraw/zinc/50/16/21/786501621.db2.gz XQZMCBRUFLWCKM-UHFFFAOYSA-N 2 2 334.380 -1.354 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC001169233069 786501700 /nfs/dbraw/zinc/50/17/00/786501700.db2.gz IWUGLISUJRXNPD-UHFFFAOYSA-N 2 2 328.413 -1.144 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001169235992 786502065 /nfs/dbraw/zinc/50/20/65/786502065.db2.gz FPBLPULDSVZGJZ-LLVKDONJSA-N 2 2 338.412 -1.359 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001169235995 786502538 /nfs/dbraw/zinc/50/25/38/786502538.db2.gz FPBLPULDSVZGJZ-NSHDSACASA-N 2 2 338.412 -1.359 20 0 EAADLP CC[NH+]1CCC([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001169244428 786502714 /nfs/dbraw/zinc/50/27/14/786502714.db2.gz OAHVOUREMXNFSL-ZDUSSCGKSA-N 2 2 339.440 -1.347 20 0 EAADLP Cn1nnc(C[NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001169541164 786519478 /nfs/dbraw/zinc/51/94/78/786519478.db2.gz DMQXNEWFNZBNBN-UHFFFAOYSA-N 2 2 325.417 -1.083 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171236758 787476441 /nfs/dbraw/zinc/47/64/41/787476441.db2.gz AOKWETGONHCKSZ-UHFFFAOYSA-N 2 2 336.396 -1.983 20 0 EAADLP CN(CC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C)S(C)(=O)=O ZINC001171238166 787476633 /nfs/dbraw/zinc/47/66/33/787476633.db2.gz NGDIDZHNLZRIDR-UHFFFAOYSA-N 2 2 331.442 -1.050 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001171243520 787480043 /nfs/dbraw/zinc/48/00/43/787480043.db2.gz DBYCMUPMXNSPMK-UHFFFAOYSA-N 2 2 348.407 -1.344 20 0 EAADLP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244254 787482283 /nfs/dbraw/zinc/48/22/83/787482283.db2.gz KWVQULLGKYGKBB-UHFFFAOYSA-N 2 2 331.442 -1.002 20 0 EAADLP Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH+]c1N ZINC001171262094 787497798 /nfs/dbraw/zinc/49/77/98/787497798.db2.gz HWCDZBURWGWUTO-LHNIVKCTSA-N 2 2 348.363 -1.150 20 0 EAADLP [NH3+]Cc1ncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171264721 787499531 /nfs/dbraw/zinc/49/95/31/787499531.db2.gz TZVNSQRPLYVXRK-HUXSOILUSA-N 2 2 349.351 -2.352 20 0 EAADLP C[NH+]1C(C)(C)CC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1(C)C ZINC001171629714 787804745 /nfs/dbraw/zinc/80/47/45/787804745.db2.gz DMCXTEVXHXVCIU-UHFFFAOYSA-N 2 2 341.456 -1.055 20 0 EAADLP COCCC[NH+]1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001172245851 787810576 /nfs/dbraw/zinc/81/05/76/787810576.db2.gz BBGJGEWJRLVRSA-KJWHEZOQSA-N 2 2 334.413 -2.123 20 0 EAADLP COCCC[NH+]1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001172245852 787812066 /nfs/dbraw/zinc/81/20/66/787812066.db2.gz BBGJGEWJRLVRSA-RYPNDVFKSA-N 2 2 334.413 -2.123 20 0 EAADLP COCCC[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001172250379 787811635 /nfs/dbraw/zinc/81/16/35/787811635.db2.gz XIZYVLFTEKHOLJ-UHFFFAOYSA-N 2 2 343.428 -2.205 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001175011643 787835687 /nfs/dbraw/zinc/83/56/87/787835687.db2.gz KAKFQQCSDJDNFE-UHFFFAOYSA-N 2 2 331.442 -1.002 20 0 EAADLP C[N@H+]1CCCn2nc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2C1 ZINC001175104302 787839528 /nfs/dbraw/zinc/83/95/28/787839528.db2.gz FMAOMAOMKIFXNZ-UHFFFAOYSA-N 2 2 340.388 -1.003 20 0 EAADLP C[N@@H+]1CCCn2nc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2C1 ZINC001175104302 787839520 /nfs/dbraw/zinc/83/95/20/787839520.db2.gz FMAOMAOMKIFXNZ-UHFFFAOYSA-N 2 2 340.388 -1.003 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176168963 787855845 /nfs/dbraw/zinc/85/58/45/787855845.db2.gz HSRXZPJVUYTLIW-GFCCVEGCSA-N 2 2 340.428 -1.327 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176168965 787855979 /nfs/dbraw/zinc/85/59/79/787855979.db2.gz HSRXZPJVUYTLIW-LBPRGKRZSA-N 2 2 340.428 -1.327 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001176170945 787855966 /nfs/dbraw/zinc/85/59/66/787855966.db2.gz ZMCNICNFCBVQLI-GFCCVEGCSA-N 2 2 325.417 -1.226 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001176170947 787854840 /nfs/dbraw/zinc/85/48/40/787854840.db2.gz ZMCNICNFCBVQLI-LBPRGKRZSA-N 2 2 325.417 -1.226 20 0 EAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176384482 787862428 /nfs/dbraw/zinc/86/24/28/787862428.db2.gz AWAFCKYEXFAIBQ-GFCCVEGCSA-N 2 2 325.369 -1.193 20 0 EAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176384482 787862413 /nfs/dbraw/zinc/86/24/13/787862413.db2.gz AWAFCKYEXFAIBQ-GFCCVEGCSA-N 2 2 325.369 -1.193 20 0 EAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001176384767 787861699 /nfs/dbraw/zinc/86/16/99/787861699.db2.gz FFRUTCJQBCQDPJ-LLVKDONJSA-N 2 2 342.360 -1.879 20 0 EAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001176384767 787861687 /nfs/dbraw/zinc/86/16/87/787861687.db2.gz FFRUTCJQBCQDPJ-LLVKDONJSA-N 2 2 342.360 -1.879 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676609 787869894 /nfs/dbraw/zinc/86/98/94/787869894.db2.gz WTIMYEWLEPWHDN-CYBMUJFWSA-N 2 2 341.412 -1.612 20 0 EAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676610 787869913 /nfs/dbraw/zinc/86/99/13/787869913.db2.gz WTIMYEWLEPWHDN-ZDUSSCGKSA-N 2 2 341.412 -1.612 20 0 EAADLP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1cccnc1 ZINC001177063692 787896879 /nfs/dbraw/zinc/89/68/79/787896879.db2.gz BCTFHWHEPYKOST-CYBMUJFWSA-N 2 2 336.396 -1.025 20 0 EAADLP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1cccnc1 ZINC001177063693 787897780 /nfs/dbraw/zinc/89/77/80/787897780.db2.gz BCTFHWHEPYKOST-ZDUSSCGKSA-N 2 2 336.396 -1.025 20 0 EAADLP [NH3+][C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccccn3)CC2)[C@H]2NCN[C@H]21 ZINC001177214082 787907537 /nfs/dbraw/zinc/90/75/37/787907537.db2.gz BSBGJPPYSADYIF-ARFHVFGLSA-N 2 2 345.451 -1.187 20 0 EAADLP [NH3+][C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccccn3)CC2)[C@H]2NCN[C@@H]21 ZINC001177214083 787907700 /nfs/dbraw/zinc/90/77/00/787907700.db2.gz BSBGJPPYSADYIF-BZUAXINKSA-N 2 2 345.451 -1.187 20 0 EAADLP [NH3+][C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccccn3)CC2)[C@@H]2NCN[C@@H]21 ZINC001177214084 787907212 /nfs/dbraw/zinc/90/72/12/787907212.db2.gz BSBGJPPYSADYIF-OAGGEKHMSA-N 2 2 345.451 -1.187 20 0 EAADLP [NH3+][C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccccn3)CC2)[C@@H]2NCN[C@H]21 ZINC001177214085 787907562 /nfs/dbraw/zinc/90/75/62/787907562.db2.gz BSBGJPPYSADYIF-XHSDSOJGSA-N 2 2 345.451 -1.187 20 0 EAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001177411315 787908352 /nfs/dbraw/zinc/90/83/52/787908352.db2.gz FTKQWSCSDPWMHX-GFCCVEGCSA-N 2 2 337.380 -1.511 20 0 EAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001177411316 787908304 /nfs/dbraw/zinc/90/83/04/787908304.db2.gz FTKQWSCSDPWMHX-LBPRGKRZSA-N 2 2 337.380 -1.511 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001177414857 787908670 /nfs/dbraw/zinc/90/86/70/787908670.db2.gz JMZHNUXEHUAHQL-GFCCVEGCSA-N 2 2 338.412 -1.428 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001177414858 787908697 /nfs/dbraw/zinc/90/86/97/787908697.db2.gz JMZHNUXEHUAHQL-LBPRGKRZSA-N 2 2 338.412 -1.428 20 0 EAADLP Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n(C)c1=O ZINC001177415122 787909000 /nfs/dbraw/zinc/90/90/00/787909000.db2.gz OCCJGGCZHDKZHY-UHFFFAOYSA-N 2 2 334.380 -1.423 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178414509 787923522 /nfs/dbraw/zinc/92/35/22/787923522.db2.gz KZKNQEMEHTZTMX-AVGNSLFASA-N 2 2 333.454 -1.059 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178414509 787923514 /nfs/dbraw/zinc/92/35/14/787923514.db2.gz KZKNQEMEHTZTMX-AVGNSLFASA-N 2 2 333.454 -1.059 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178414512 787922682 /nfs/dbraw/zinc/92/26/82/787922682.db2.gz KZKNQEMEHTZTMX-RWMBFGLXSA-N 2 2 333.454 -1.059 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178414512 787922673 /nfs/dbraw/zinc/92/26/73/787922673.db2.gz KZKNQEMEHTZTMX-RWMBFGLXSA-N 2 2 333.454 -1.059 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178414772 787923594 /nfs/dbraw/zinc/92/35/94/787923594.db2.gz OASCEBNICTYPTP-AVGNSLFASA-N 2 2 348.469 -1.555 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178414772 787923584 /nfs/dbraw/zinc/92/35/84/787923584.db2.gz OASCEBNICTYPTP-AVGNSLFASA-N 2 2 348.469 -1.555 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178414775 787923961 /nfs/dbraw/zinc/92/39/61/787923961.db2.gz OASCEBNICTYPTP-RWMBFGLXSA-N 2 2 348.469 -1.555 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178414775 787923957 /nfs/dbraw/zinc/92/39/57/787923957.db2.gz OASCEBNICTYPTP-RWMBFGLXSA-N 2 2 348.469 -1.555 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414889 787923025 /nfs/dbraw/zinc/92/30/25/787923025.db2.gz SZMFNTXVZICVHS-SDDRHHMPSA-N 2 2 341.412 -1.648 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414889 787923017 /nfs/dbraw/zinc/92/30/17/787923017.db2.gz SZMFNTXVZICVHS-SDDRHHMPSA-N 2 2 341.412 -1.648 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414890 787923320 /nfs/dbraw/zinc/92/33/20/787923320.db2.gz SZMFNTXVZICVHS-SRVKXCTJSA-N 2 2 341.412 -1.648 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414890 787923315 /nfs/dbraw/zinc/92/33/15/787923315.db2.gz SZMFNTXVZICVHS-SRVKXCTJSA-N 2 2 341.412 -1.648 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178414923 787923449 /nfs/dbraw/zinc/92/34/49/787923449.db2.gz VBJUWRSYTFJUEK-DCAQKATOSA-N 2 2 327.385 -1.909 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178414923 787923442 /nfs/dbraw/zinc/92/34/42/787923442.db2.gz VBJUWRSYTFJUEK-DCAQKATOSA-N 2 2 327.385 -1.909 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178414924 787923277 /nfs/dbraw/zinc/92/32/77/787923277.db2.gz VBJUWRSYTFJUEK-GARJFASQSA-N 2 2 327.385 -1.909 20 0 EAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178414924 787923273 /nfs/dbraw/zinc/92/32/73/787923273.db2.gz VBJUWRSYTFJUEK-GARJFASQSA-N 2 2 327.385 -1.909 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179482838 787947347 /nfs/dbraw/zinc/94/73/47/787947347.db2.gz XRERUMWTXNGXMP-XDTLVQLUSA-N 2 2 336.396 -1.479 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179482838 787947343 /nfs/dbraw/zinc/94/73/43/787947343.db2.gz XRERUMWTXNGXMP-XDTLVQLUSA-N 2 2 336.396 -1.479 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929197 787955414 /nfs/dbraw/zinc/95/54/14/787955414.db2.gz GVQDOGFHCBNCPQ-JQWIXIFHSA-N 2 2 336.396 -1.003 20 0 EAADLP C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)COCC[NH+](C)C ZINC001179929850 787955475 /nfs/dbraw/zinc/95/54/75/787955475.db2.gz YNWWZVCXOGNMLA-RYUDHWBXSA-N 2 2 325.417 -1.133 20 0 EAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610518 787970625 /nfs/dbraw/zinc/97/06/25/787970625.db2.gz KGXCASSTKGOBKC-CYBMUJFWSA-N 2 2 340.424 -1.111 20 0 EAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610518 787970619 /nfs/dbraw/zinc/97/06/19/787970619.db2.gz KGXCASSTKGOBKC-CYBMUJFWSA-N 2 2 340.424 -1.111 20 0 EAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610521 787970344 /nfs/dbraw/zinc/97/03/44/787970344.db2.gz KGXCASSTKGOBKC-ZDUSSCGKSA-N 2 2 340.424 -1.111 20 0 EAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610521 787970340 /nfs/dbraw/zinc/97/03/40/787970340.db2.gz KGXCASSTKGOBKC-ZDUSSCGKSA-N 2 2 340.424 -1.111 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001181821844 789667990 /nfs/dbraw/zinc/66/79/90/789667990.db2.gz JINKAPATZWKHTN-CHWSQXEVSA-N 2 2 348.407 -1.064 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001181821844 789667982 /nfs/dbraw/zinc/66/79/82/789667982.db2.gz JINKAPATZWKHTN-CHWSQXEVSA-N 2 2 348.407 -1.064 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001181821853 789669048 /nfs/dbraw/zinc/66/90/48/789669048.db2.gz JINKAPATZWKHTN-OLZOCXBDSA-N 2 2 348.407 -1.064 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001181821853 789669043 /nfs/dbraw/zinc/66/90/43/789669043.db2.gz JINKAPATZWKHTN-OLZOCXBDSA-N 2 2 348.407 -1.064 20 0 EAADLP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822558 789668497 /nfs/dbraw/zinc/66/84/97/789668497.db2.gz RONVSWHSKXYEBN-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822558 789668489 /nfs/dbraw/zinc/66/84/89/789668489.db2.gz RONVSWHSKXYEBN-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822559 789668289 /nfs/dbraw/zinc/66/82/89/789668289.db2.gz RONVSWHSKXYEBN-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822559 789668283 /nfs/dbraw/zinc/66/82/83/789668283.db2.gz RONVSWHSKXYEBN-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822686 789668390 /nfs/dbraw/zinc/66/83/90/789668390.db2.gz TWUDBLRKYMAUPG-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822686 789668384 /nfs/dbraw/zinc/66/83/84/789668384.db2.gz TWUDBLRKYMAUPG-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822687 789669413 /nfs/dbraw/zinc/66/94/13/789669413.db2.gz TWUDBLRKYMAUPG-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822687 789669410 /nfs/dbraw/zinc/66/94/10/789669410.db2.gz TWUDBLRKYMAUPG-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181823088 789668760 /nfs/dbraw/zinc/66/87/60/789668760.db2.gz YJPWLNKCGASBMQ-NEPJUHHUSA-N 2 2 341.412 -1.647 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181823088 789668754 /nfs/dbraw/zinc/66/87/54/789668754.db2.gz YJPWLNKCGASBMQ-NEPJUHHUSA-N 2 2 341.412 -1.647 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181823207 789668420 /nfs/dbraw/zinc/66/84/20/789668420.db2.gz YJPWLNKCGASBMQ-VXGBXAGGSA-N 2 2 341.412 -1.647 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181823207 789668415 /nfs/dbraw/zinc/66/84/15/789668415.db2.gz YJPWLNKCGASBMQ-VXGBXAGGSA-N 2 2 341.412 -1.647 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181823234 789670234 /nfs/dbraw/zinc/67/02/34/789670234.db2.gz ZGJUJGWTVLRHKX-GHMZBOCLSA-N 2 2 327.385 -2.037 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181823234 789670227 /nfs/dbraw/zinc/67/02/27/789670227.db2.gz ZGJUJGWTVLRHKX-GHMZBOCLSA-N 2 2 327.385 -2.037 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181823235 789671480 /nfs/dbraw/zinc/67/14/80/789671480.db2.gz ZGJUJGWTVLRHKX-MNOVXSKESA-N 2 2 327.385 -2.037 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181823235 789671473 /nfs/dbraw/zinc/67/14/73/789671473.db2.gz ZGJUJGWTVLRHKX-MNOVXSKESA-N 2 2 327.385 -2.037 20 0 EAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731744 790340515 /nfs/dbraw/zinc/34/05/15/790340515.db2.gz SKGWPAPMVIYEKS-GHMZBOCLSA-N 2 2 334.380 -1.169 20 0 EAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731745 790342550 /nfs/dbraw/zinc/34/25/50/790342550.db2.gz SKGWPAPMVIYEKS-WDEREUQCSA-N 2 2 334.380 -1.169 20 0 EAADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)no1 ZINC001183834994 790345779 /nfs/dbraw/zinc/34/57/79/790345779.db2.gz JDJYLKQGNMWEJB-SECBINFHSA-N 2 2 338.368 -1.265 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492464 790366070 /nfs/dbraw/zinc/36/60/70/790366070.db2.gz VNIJRTZWSRCLBW-LLVKDONJSA-N 2 2 336.396 -1.001 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185378041 790396241 /nfs/dbraw/zinc/39/62/41/790396241.db2.gz LRHYMHLTIQXMOO-BNOWGMLFSA-N 2 2 348.407 -1.464 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001185378041 790396226 /nfs/dbraw/zinc/39/62/26/790396226.db2.gz LRHYMHLTIQXMOO-BNOWGMLFSA-N 2 2 348.407 -1.464 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185378046 790397176 /nfs/dbraw/zinc/39/71/76/790397176.db2.gz LRHYMHLTIQXMOO-XBFCOCLRSA-N 2 2 348.407 -1.464 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001185378046 790397166 /nfs/dbraw/zinc/39/71/66/790397166.db2.gz LRHYMHLTIQXMOO-XBFCOCLRSA-N 2 2 348.407 -1.464 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001185378470 790396969 /nfs/dbraw/zinc/39/69/69/790396969.db2.gz WQRIYXPZZNBVRU-NDMJEZRESA-N 2 2 336.396 -1.479 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001185378470 790396958 /nfs/dbraw/zinc/39/69/58/790396958.db2.gz WQRIYXPZZNBVRU-NDMJEZRESA-N 2 2 336.396 -1.479 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001185378472 790397339 /nfs/dbraw/zinc/39/73/39/790397339.db2.gz WQRIYXPZZNBVRU-XWIASGKRSA-N 2 2 336.396 -1.479 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001185378472 790397327 /nfs/dbraw/zinc/39/73/27/790397327.db2.gz WQRIYXPZZNBVRU-XWIASGKRSA-N 2 2 336.396 -1.479 20 0 EAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001185378601 790397450 /nfs/dbraw/zinc/39/74/50/790397450.db2.gz ZUACKYMFUUWKNY-YPMHNXCESA-N 2 2 336.396 -1.607 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185750412 790407497 /nfs/dbraw/zinc/40/74/97/790407497.db2.gz YFGNEFKSDKWSFD-GMTAPVOTSA-N 2 2 334.380 -1.091 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001185926362 790414373 /nfs/dbraw/zinc/41/43/73/790414373.db2.gz SUVACHMEBVEDDX-DGCLKSJQSA-N 2 2 349.391 -1.347 20 0 EAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001185926367 790413951 /nfs/dbraw/zinc/41/39/51/790413951.db2.gz SUVACHMEBVEDDX-YPMHNXCESA-N 2 2 349.391 -1.347 20 0 EAADLP C[NH+](C)CCC(=O)N1CCC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001186000406 790417282 /nfs/dbraw/zinc/41/72/82/790417282.db2.gz NZBZDCMZEHRPRK-CYBMUJFWSA-N 2 2 337.428 -1.032 20 0 EAADLP C[NH+](C)CCC(=O)N1CCC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001186000407 790417823 /nfs/dbraw/zinc/41/78/23/790417823.db2.gz NZBZDCMZEHRPRK-ZDUSSCGKSA-N 2 2 337.428 -1.032 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029218 790417717 /nfs/dbraw/zinc/41/77/17/790417717.db2.gz GDTSFQULQIQAHV-GXTWGEPZSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029218 790417713 /nfs/dbraw/zinc/41/77/13/790417713.db2.gz GDTSFQULQIQAHV-GXTWGEPZSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029219 790418136 /nfs/dbraw/zinc/41/81/36/790418136.db2.gz GDTSFQULQIQAHV-JSGCOSHPSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029219 790418131 /nfs/dbraw/zinc/41/81/31/790418131.db2.gz GDTSFQULQIQAHV-JSGCOSHPSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029220 790418115 /nfs/dbraw/zinc/41/81/15/790418115.db2.gz GDTSFQULQIQAHV-OCCSQVGLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029220 790418112 /nfs/dbraw/zinc/41/81/12/790418112.db2.gz GDTSFQULQIQAHV-OCCSQVGLSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029221 790417754 /nfs/dbraw/zinc/41/77/54/790417754.db2.gz GDTSFQULQIQAHV-TZMCWYRMSA-N 2 2 349.439 -1.032 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001186029221 790417750 /nfs/dbraw/zinc/41/77/50/790417750.db2.gz GDTSFQULQIQAHV-TZMCWYRMSA-N 2 2 349.439 -1.032 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001186576759 790439488 /nfs/dbraw/zinc/43/94/88/790439488.db2.gz YNWQCNDPNNRLFI-NEPJUHHUSA-N 2 2 349.391 -1.347 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001186576760 790439385 /nfs/dbraw/zinc/43/93/85/790439385.db2.gz YNWQCNDPNNRLFI-VXGBXAGGSA-N 2 2 349.391 -1.347 20 0 EAADLP C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001186915391 790456890 /nfs/dbraw/zinc/45/68/90/790456890.db2.gz SRTHNMLZQFMEIG-HRCADAONSA-N 2 2 345.451 -1.429 20 0 EAADLP C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001186915393 790456252 /nfs/dbraw/zinc/45/62/52/790456252.db2.gz SRTHNMLZQFMEIG-JYJNAYRXSA-N 2 2 345.451 -1.429 20 0 EAADLP C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001186915397 790456730 /nfs/dbraw/zinc/45/67/30/790456730.db2.gz SRTHNMLZQFMEIG-OWCLPIDISA-N 2 2 345.451 -1.429 20 0 EAADLP C[NH+]1CCN(c2ccccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001186915398 790457330 /nfs/dbraw/zinc/45/73/30/790457330.db2.gz SRTHNMLZQFMEIG-PMPSAXMXSA-N 2 2 345.451 -1.429 20 0 EAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187090566 790464927 /nfs/dbraw/zinc/46/49/27/790464927.db2.gz CJPFQVQCADZZPU-LLVKDONJSA-N 2 2 336.396 -1.001 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187092171 790464624 /nfs/dbraw/zinc/46/46/24/790464624.db2.gz QEGJYOQVFSXWEU-LLVKDONJSA-N 2 2 329.426 -1.298 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092620 790464560 /nfs/dbraw/zinc/46/45/60/790464560.db2.gz ZQOJYNODJWJVDQ-GHMZBOCLSA-N 2 2 336.396 -1.003 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092621 790463583 /nfs/dbraw/zinc/46/35/83/790463583.db2.gz ZQOJYNODJWJVDQ-WDEREUQCSA-N 2 2 336.396 -1.003 20 0 EAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001187115249 790462691 /nfs/dbraw/zinc/46/26/91/790462691.db2.gz HSKLWCRUCAANED-LLVKDONJSA-N 2 2 326.401 -1.623 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001187432288 790471160 /nfs/dbraw/zinc/47/11/60/790471160.db2.gz OSCPAIIMIGGRSP-RRFJBIMHSA-N 2 2 327.425 -1.141 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001187432288 790471156 /nfs/dbraw/zinc/47/11/56/790471156.db2.gz OSCPAIIMIGGRSP-RRFJBIMHSA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001187432288 790471154 /nfs/dbraw/zinc/47/11/54/790471154.db2.gz OSCPAIIMIGGRSP-RRFJBIMHSA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001187432288 790471148 /nfs/dbraw/zinc/47/11/48/790471148.db2.gz OSCPAIIMIGGRSP-RRFJBIMHSA-N 2 2 327.425 -1.141 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001187432289 790469954 /nfs/dbraw/zinc/46/99/54/790469954.db2.gz OSCPAIIMIGGRSP-ZNMIVQPWSA-N 2 2 327.425 -1.141 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001187432289 790469950 /nfs/dbraw/zinc/46/99/50/790469950.db2.gz OSCPAIIMIGGRSP-ZNMIVQPWSA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001187432289 790469944 /nfs/dbraw/zinc/46/99/44/790469944.db2.gz OSCPAIIMIGGRSP-ZNMIVQPWSA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001187432289 790469936 /nfs/dbraw/zinc/46/99/36/790469936.db2.gz OSCPAIIMIGGRSP-ZNMIVQPWSA-N 2 2 327.425 -1.141 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187509403 790471173 /nfs/dbraw/zinc/47/11/73/790471173.db2.gz ORVHDUYOPPZZJR-LLVKDONJSA-N 2 2 336.396 -1.001 20 0 EAADLP CN(CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)S(C)(=O)=O ZINC001188368562 790515158 /nfs/dbraw/zinc/51/51/58/790515158.db2.gz ALBXPFVAOXPMEG-GFCCVEGCSA-N 2 2 329.426 -1.035 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001188368568 790514300 /nfs/dbraw/zinc/51/43/00/790514300.db2.gz AVFPLWNIFXDFCJ-CHWSQXEVSA-N 2 2 349.391 -1.417 20 0 EAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001188368569 790513613 /nfs/dbraw/zinc/51/36/13/790513613.db2.gz AVFPLWNIFXDFCJ-OLZOCXBDSA-N 2 2 349.391 -1.417 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188561352 790520612 /nfs/dbraw/zinc/52/06/12/790520612.db2.gz AWWNVPQNWHPCQD-NWDGAFQWSA-N 2 2 334.380 -1.081 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001188561352 790520602 /nfs/dbraw/zinc/52/06/02/790520602.db2.gz AWWNVPQNWHPCQD-NWDGAFQWSA-N 2 2 334.380 -1.081 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189045470 790539958 /nfs/dbraw/zinc/53/99/58/790539958.db2.gz FCOZPGZDYJBHAO-AEGPPILISA-N 2 2 335.408 -1.018 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189045470 790539951 /nfs/dbraw/zinc/53/99/51/790539951.db2.gz FCOZPGZDYJBHAO-AEGPPILISA-N 2 2 335.408 -1.018 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189045470 790539939 /nfs/dbraw/zinc/53/99/39/790539939.db2.gz FCOZPGZDYJBHAO-AEGPPILISA-N 2 2 335.408 -1.018 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001189045470 790539932 /nfs/dbraw/zinc/53/99/32/790539932.db2.gz FCOZPGZDYJBHAO-AEGPPILISA-N 2 2 335.408 -1.018 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515960 790552622 /nfs/dbraw/zinc/55/26/22/790552622.db2.gz DKNFWXOBTWQANM-CHWSQXEVSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515960 790552614 /nfs/dbraw/zinc/55/26/14/790552614.db2.gz DKNFWXOBTWQANM-CHWSQXEVSA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515960 790552607 /nfs/dbraw/zinc/55/26/07/790552607.db2.gz DKNFWXOBTWQANM-CHWSQXEVSA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515960 790552599 /nfs/dbraw/zinc/55/25/99/790552599.db2.gz DKNFWXOBTWQANM-CHWSQXEVSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515961 790553231 /nfs/dbraw/zinc/55/32/31/790553231.db2.gz DKNFWXOBTWQANM-OLZOCXBDSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515961 790553224 /nfs/dbraw/zinc/55/32/24/790553224.db2.gz DKNFWXOBTWQANM-OLZOCXBDSA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515961 790553220 /nfs/dbraw/zinc/55/32/20/790553220.db2.gz DKNFWXOBTWQANM-OLZOCXBDSA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515961 790553212 /nfs/dbraw/zinc/55/32/12/790553212.db2.gz DKNFWXOBTWQANM-OLZOCXBDSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515962 790552299 /nfs/dbraw/zinc/55/22/99/790552299.db2.gz DKNFWXOBTWQANM-QWHCGFSZSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515962 790552289 /nfs/dbraw/zinc/55/22/89/790552289.db2.gz DKNFWXOBTWQANM-QWHCGFSZSA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515962 790552280 /nfs/dbraw/zinc/55/22/80/790552280.db2.gz DKNFWXOBTWQANM-QWHCGFSZSA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515962 790552274 /nfs/dbraw/zinc/55/22/74/790552274.db2.gz DKNFWXOBTWQANM-QWHCGFSZSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515963 790553669 /nfs/dbraw/zinc/55/36/69/790553669.db2.gz DKNFWXOBTWQANM-STQMWFEESA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515963 790553660 /nfs/dbraw/zinc/55/36/60/790553660.db2.gz DKNFWXOBTWQANM-STQMWFEESA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515963 790553653 /nfs/dbraw/zinc/55/36/53/790553653.db2.gz DKNFWXOBTWQANM-STQMWFEESA-N 2 2 348.469 -1.601 20 0 EAADLP C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515963 790553645 /nfs/dbraw/zinc/55/36/45/790553645.db2.gz DKNFWXOBTWQANM-STQMWFEESA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516170 790553793 /nfs/dbraw/zinc/55/37/93/790553793.db2.gz FUXPAYQXXMNOKU-GHMZBOCLSA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516170 790553780 /nfs/dbraw/zinc/55/37/80/790553780.db2.gz FUXPAYQXXMNOKU-GHMZBOCLSA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516170 790553774 /nfs/dbraw/zinc/55/37/74/790553774.db2.gz FUXPAYQXXMNOKU-GHMZBOCLSA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516170 790553767 /nfs/dbraw/zinc/55/37/67/790553767.db2.gz FUXPAYQXXMNOKU-GHMZBOCLSA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516175 790553318 /nfs/dbraw/zinc/55/33/18/790553318.db2.gz FUXPAYQXXMNOKU-MNOVXSKESA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516175 790553312 /nfs/dbraw/zinc/55/33/12/790553312.db2.gz FUXPAYQXXMNOKU-MNOVXSKESA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516175 790553309 /nfs/dbraw/zinc/55/33/09/790553309.db2.gz FUXPAYQXXMNOKU-MNOVXSKESA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516175 790553302 /nfs/dbraw/zinc/55/33/02/790553302.db2.gz FUXPAYQXXMNOKU-MNOVXSKESA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516178 790553554 /nfs/dbraw/zinc/55/35/54/790553554.db2.gz FUXPAYQXXMNOKU-QWRGUYRKSA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516178 790553548 /nfs/dbraw/zinc/55/35/48/790553548.db2.gz FUXPAYQXXMNOKU-QWRGUYRKSA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516178 790553538 /nfs/dbraw/zinc/55/35/38/790553538.db2.gz FUXPAYQXXMNOKU-QWRGUYRKSA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516178 790553528 /nfs/dbraw/zinc/55/35/28/790553528.db2.gz FUXPAYQXXMNOKU-QWRGUYRKSA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516181 790553981 /nfs/dbraw/zinc/55/39/81/790553981.db2.gz FUXPAYQXXMNOKU-WDEREUQCSA-N 2 2 327.385 -1.955 20 0 EAADLP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516181 790553977 /nfs/dbraw/zinc/55/39/77/790553977.db2.gz FUXPAYQXXMNOKU-WDEREUQCSA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516181 790553972 /nfs/dbraw/zinc/55/39/72/790553972.db2.gz FUXPAYQXXMNOKU-WDEREUQCSA-N 2 2 327.385 -1.955 20 0 EAADLP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516181 790553967 /nfs/dbraw/zinc/55/39/67/790553967.db2.gz FUXPAYQXXMNOKU-WDEREUQCSA-N 2 2 327.385 -1.955 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517076 790553168 /nfs/dbraw/zinc/55/31/68/790553168.db2.gz NTOBEMHKHXCNFT-NEPJUHHUSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517076 790553164 /nfs/dbraw/zinc/55/31/64/790553164.db2.gz NTOBEMHKHXCNFT-NEPJUHHUSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517076 790553156 /nfs/dbraw/zinc/55/31/56/790553156.db2.gz NTOBEMHKHXCNFT-NEPJUHHUSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517076 790553148 /nfs/dbraw/zinc/55/31/48/790553148.db2.gz NTOBEMHKHXCNFT-NEPJUHHUSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517089 790552343 /nfs/dbraw/zinc/55/23/43/790552343.db2.gz NTOBEMHKHXCNFT-NWDGAFQWSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517089 790552337 /nfs/dbraw/zinc/55/23/37/790552337.db2.gz NTOBEMHKHXCNFT-NWDGAFQWSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517089 790552333 /nfs/dbraw/zinc/55/23/33/790552333.db2.gz NTOBEMHKHXCNFT-NWDGAFQWSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517089 790552328 /nfs/dbraw/zinc/55/23/28/790552328.db2.gz NTOBEMHKHXCNFT-NWDGAFQWSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517091 790554153 /nfs/dbraw/zinc/55/41/53/790554153.db2.gz NTOBEMHKHXCNFT-RYUDHWBXSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517091 790554147 /nfs/dbraw/zinc/55/41/47/790554147.db2.gz NTOBEMHKHXCNFT-RYUDHWBXSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517091 790554139 /nfs/dbraw/zinc/55/41/39/790554139.db2.gz NTOBEMHKHXCNFT-RYUDHWBXSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517091 790554134 /nfs/dbraw/zinc/55/41/34/790554134.db2.gz NTOBEMHKHXCNFT-RYUDHWBXSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517093 790554041 /nfs/dbraw/zinc/55/40/41/790554041.db2.gz NTOBEMHKHXCNFT-VXGBXAGGSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517093 790554039 /nfs/dbraw/zinc/55/40/39/790554039.db2.gz NTOBEMHKHXCNFT-VXGBXAGGSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517093 790554033 /nfs/dbraw/zinc/55/40/33/790554033.db2.gz NTOBEMHKHXCNFT-VXGBXAGGSA-N 2 2 341.412 -1.695 20 0 EAADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517093 790554026 /nfs/dbraw/zinc/55/40/26/790554026.db2.gz NTOBEMHKHXCNFT-VXGBXAGGSA-N 2 2 341.412 -1.695 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001190176929 790578774 /nfs/dbraw/zinc/57/87/74/790578774.db2.gz KCZMUYBHNFEWKN-NWDGAFQWSA-N 2 2 334.380 -1.081 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001190176929 790578768 /nfs/dbraw/zinc/57/87/68/790578768.db2.gz KCZMUYBHNFEWKN-NWDGAFQWSA-N 2 2 334.380 -1.081 20 0 EAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190473199 790595061 /nfs/dbraw/zinc/59/50/61/790595061.db2.gz CFVRFZBFAVXVEJ-QWHCGFSZSA-N 2 2 341.437 -1.035 20 0 EAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190473199 790595055 /nfs/dbraw/zinc/59/50/55/790595055.db2.gz CFVRFZBFAVXVEJ-QWHCGFSZSA-N 2 2 341.437 -1.035 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480988 790588059 /nfs/dbraw/zinc/58/80/59/790588059.db2.gz OTBVNUJJIBVIJG-GRYCIOLGSA-N 2 2 334.380 -1.001 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480988 790588050 /nfs/dbraw/zinc/58/80/50/790588050.db2.gz OTBVNUJJIBVIJG-GRYCIOLGSA-N 2 2 334.380 -1.001 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480992 790587054 /nfs/dbraw/zinc/58/70/54/790587054.db2.gz OTBVNUJJIBVIJG-SDDRHHMPSA-N 2 2 334.380 -1.001 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480992 790587049 /nfs/dbraw/zinc/58/70/49/790587049.db2.gz OTBVNUJJIBVIJG-SDDRHHMPSA-N 2 2 334.380 -1.001 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900063 790621006 /nfs/dbraw/zinc/62/10/06/790621006.db2.gz NPTGUAMEGGBFKD-GRYCIOLGSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900063 790621003 /nfs/dbraw/zinc/62/10/03/790621003.db2.gz NPTGUAMEGGBFKD-GRYCIOLGSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900063 790620999 /nfs/dbraw/zinc/62/09/99/790620999.db2.gz NPTGUAMEGGBFKD-GRYCIOLGSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900063 790620996 /nfs/dbraw/zinc/62/09/96/790620996.db2.gz NPTGUAMEGGBFKD-GRYCIOLGSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900067 790620903 /nfs/dbraw/zinc/62/09/03/790620903.db2.gz NPTGUAMEGGBFKD-IJLUTSLNSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900067 790620900 /nfs/dbraw/zinc/62/09/00/790620900.db2.gz NPTGUAMEGGBFKD-IJLUTSLNSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900067 790620897 /nfs/dbraw/zinc/62/08/97/790620897.db2.gz NPTGUAMEGGBFKD-IJLUTSLNSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C2)O1 ZINC001190900067 790620894 /nfs/dbraw/zinc/62/08/94/790620894.db2.gz NPTGUAMEGGBFKD-IJLUTSLNSA-N 2 2 341.412 -1.567 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191784447 790693654 /nfs/dbraw/zinc/69/36/54/790693654.db2.gz DJYPXLFGHGLUGZ-QLFBSQMISA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191784447 790693649 /nfs/dbraw/zinc/69/36/49/790693649.db2.gz DJYPXLFGHGLUGZ-QLFBSQMISA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191784447 790693644 /nfs/dbraw/zinc/69/36/44/790693644.db2.gz DJYPXLFGHGLUGZ-QLFBSQMISA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191784447 790693639 /nfs/dbraw/zinc/69/36/39/790693639.db2.gz DJYPXLFGHGLUGZ-QLFBSQMISA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191784448 790693503 /nfs/dbraw/zinc/69/35/03/790693503.db2.gz DJYPXLFGHGLUGZ-RBSFLKMASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191784448 790693496 /nfs/dbraw/zinc/69/34/96/790693496.db2.gz DJYPXLFGHGLUGZ-RBSFLKMASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191784448 790693493 /nfs/dbraw/zinc/69/34/93/790693493.db2.gz DJYPXLFGHGLUGZ-RBSFLKMASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191784448 790693487 /nfs/dbraw/zinc/69/34/87/790693487.db2.gz DJYPXLFGHGLUGZ-RBSFLKMASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191785109 790694829 /nfs/dbraw/zinc/69/48/29/790694829.db2.gz OEWFKPRRRBQMGV-HZSPNIEDSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191785109 790694822 /nfs/dbraw/zinc/69/48/22/790694822.db2.gz OEWFKPRRRBQMGV-HZSPNIEDSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191785109 790694818 /nfs/dbraw/zinc/69/48/18/790694818.db2.gz OEWFKPRRRBQMGV-HZSPNIEDSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191785109 790694812 /nfs/dbraw/zinc/69/48/12/790694812.db2.gz OEWFKPRRRBQMGV-HZSPNIEDSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191785110 790695041 /nfs/dbraw/zinc/69/50/41/790695041.db2.gz OEWFKPRRRBQMGV-MGPQQGTHSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191785110 790695035 /nfs/dbraw/zinc/69/50/35/790695035.db2.gz OEWFKPRRRBQMGV-MGPQQGTHSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191785110 790695033 /nfs/dbraw/zinc/69/50/33/790695033.db2.gz OEWFKPRRRBQMGV-MGPQQGTHSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191785110 790695029 /nfs/dbraw/zinc/69/50/29/790695029.db2.gz OEWFKPRRRBQMGV-MGPQQGTHSA-N 2 2 341.456 -1.051 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014752 790711723 /nfs/dbraw/zinc/71/17/23/790711723.db2.gz UNUQEFNVAFBHLM-KFWWJZLASA-N 2 2 327.425 -1.095 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014752 790711712 /nfs/dbraw/zinc/71/17/12/790711712.db2.gz UNUQEFNVAFBHLM-KFWWJZLASA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014752 790711700 /nfs/dbraw/zinc/71/17/00/790711700.db2.gz UNUQEFNVAFBHLM-KFWWJZLASA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014752 790711688 /nfs/dbraw/zinc/71/16/88/790711688.db2.gz UNUQEFNVAFBHLM-KFWWJZLASA-N 2 2 327.425 -1.095 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014753 790711343 /nfs/dbraw/zinc/71/13/43/790711343.db2.gz UNUQEFNVAFBHLM-RBSFLKMASA-N 2 2 327.425 -1.095 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014753 790711333 /nfs/dbraw/zinc/71/13/33/790711333.db2.gz UNUQEFNVAFBHLM-RBSFLKMASA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014753 790711322 /nfs/dbraw/zinc/71/13/22/790711322.db2.gz UNUQEFNVAFBHLM-RBSFLKMASA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001192014753 790711311 /nfs/dbraw/zinc/71/13/11/790711311.db2.gz UNUQEFNVAFBHLM-RBSFLKMASA-N 2 2 327.425 -1.095 20 0 EAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001192014998 790712059 /nfs/dbraw/zinc/71/20/59/790712059.db2.gz ZYQWLHBUEGPKAD-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001192014998 790712050 /nfs/dbraw/zinc/71/20/50/790712050.db2.gz ZYQWLHBUEGPKAD-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014998 790712042 /nfs/dbraw/zinc/71/20/42/790712042.db2.gz ZYQWLHBUEGPKAD-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014998 790712033 /nfs/dbraw/zinc/71/20/33/790712033.db2.gz ZYQWLHBUEGPKAD-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192014999 790712133 /nfs/dbraw/zinc/71/21/33/790712133.db2.gz ZYQWLHBUEGPKAD-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192014999 790712124 /nfs/dbraw/zinc/71/21/24/790712124.db2.gz ZYQWLHBUEGPKAD-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014999 790712115 /nfs/dbraw/zinc/71/21/15/790712115.db2.gz ZYQWLHBUEGPKAD-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014999 790712107 /nfs/dbraw/zinc/71/21/07/790712107.db2.gz ZYQWLHBUEGPKAD-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001192590308 790770152 /nfs/dbraw/zinc/77/01/52/790770152.db2.gz HNPGPDMTUBNPGV-BFHYXJOUSA-N 2 2 348.407 -1.239 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001192590308 790770145 /nfs/dbraw/zinc/77/01/45/790770145.db2.gz HNPGPDMTUBNPGV-BFHYXJOUSA-N 2 2 348.407 -1.239 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001192590309 790770461 /nfs/dbraw/zinc/77/04/61/790770461.db2.gz HNPGPDMTUBNPGV-MGPQQGTHSA-N 2 2 348.407 -1.239 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001192590309 790770451 /nfs/dbraw/zinc/77/04/51/790770451.db2.gz HNPGPDMTUBNPGV-MGPQQGTHSA-N 2 2 348.407 -1.239 20 0 EAADLP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847232 790790129 /nfs/dbraw/zinc/79/01/29/790790129.db2.gz QDWVRYHHLSSPJL-GFCCVEGCSA-N 2 2 341.412 -1.564 20 0 EAADLP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847232 790790126 /nfs/dbraw/zinc/79/01/26/790790126.db2.gz QDWVRYHHLSSPJL-GFCCVEGCSA-N 2 2 341.412 -1.564 20 0 EAADLP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847233 790791092 /nfs/dbraw/zinc/79/10/92/790791092.db2.gz QDWVRYHHLSSPJL-LBPRGKRZSA-N 2 2 341.412 -1.564 20 0 EAADLP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847233 790791083 /nfs/dbraw/zinc/79/10/83/790791083.db2.gz QDWVRYHHLSSPJL-LBPRGKRZSA-N 2 2 341.412 -1.564 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193016326 790810772 /nfs/dbraw/zinc/81/07/72/790810772.db2.gz YNKBTUDDCJMJIT-RBSFLKMASA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193016326 790810760 /nfs/dbraw/zinc/81/07/60/790810760.db2.gz YNKBTUDDCJMJIT-RBSFLKMASA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193016331 790810899 /nfs/dbraw/zinc/81/08/99/790810899.db2.gz YNKBTUDDCJMJIT-RRFJBIMHSA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193016331 790810886 /nfs/dbraw/zinc/81/08/86/790810886.db2.gz YNKBTUDDCJMJIT-RRFJBIMHSA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193086084 790814053 /nfs/dbraw/zinc/81/40/53/790814053.db2.gz RETTUFKFNZTDKR-AAVRWANBSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193086084 790814042 /nfs/dbraw/zinc/81/40/42/790814042.db2.gz RETTUFKFNZTDKR-AAVRWANBSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193086084 790814031 /nfs/dbraw/zinc/81/40/31/790814031.db2.gz RETTUFKFNZTDKR-AAVRWANBSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193086084 790814024 /nfs/dbraw/zinc/81/40/24/790814024.db2.gz RETTUFKFNZTDKR-AAVRWANBSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193103036 790816792 /nfs/dbraw/zinc/81/67/92/790816792.db2.gz QVYJINJAAZQBGI-FDYHWXHSSA-N 2 2 348.469 -1.963 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193103036 790816779 /nfs/dbraw/zinc/81/67/79/790816779.db2.gz QVYJINJAAZQBGI-FDYHWXHSSA-N 2 2 348.469 -1.963 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001193103036 790816768 /nfs/dbraw/zinc/81/67/68/790816768.db2.gz QVYJINJAAZQBGI-FDYHWXHSSA-N 2 2 348.469 -1.963 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001193103036 790816753 /nfs/dbraw/zinc/81/67/53/790816753.db2.gz QVYJINJAAZQBGI-FDYHWXHSSA-N 2 2 348.469 -1.963 20 0 EAADLP Cn1[nH]c(C[N@@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001193489075 790862381 /nfs/dbraw/zinc/86/23/81/790862381.db2.gz SIVCLKXGGLFBFS-GFCCVEGCSA-N 2 2 340.428 -1.281 20 0 EAADLP Cn1[nH]c(C[N@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001193489075 790862370 /nfs/dbraw/zinc/86/23/70/790862370.db2.gz SIVCLKXGGLFBFS-GFCCVEGCSA-N 2 2 340.428 -1.281 20 0 EAADLP Cn1[nH]c(C[N@@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001193489080 790859675 /nfs/dbraw/zinc/85/96/75/790859675.db2.gz SIVCLKXGGLFBFS-LBPRGKRZSA-N 2 2 340.428 -1.281 20 0 EAADLP Cn1[nH]c(C[N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001193489080 790859662 /nfs/dbraw/zinc/85/96/62/790859662.db2.gz SIVCLKXGGLFBFS-LBPRGKRZSA-N 2 2 340.428 -1.281 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001193754858 790889816 /nfs/dbraw/zinc/88/98/16/790889816.db2.gz CHBJKIWTGBBATE-HZSPNIEDSA-N 2 2 338.408 -1.069 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001193754858 790889807 /nfs/dbraw/zinc/88/98/07/790889807.db2.gz CHBJKIWTGBBATE-HZSPNIEDSA-N 2 2 338.408 -1.069 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001193754860 790889110 /nfs/dbraw/zinc/88/91/10/790889110.db2.gz CHBJKIWTGBBATE-MGPQQGTHSA-N 2 2 338.408 -1.069 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001193754860 790889099 /nfs/dbraw/zinc/88/90/99/790889099.db2.gz CHBJKIWTGBBATE-MGPQQGTHSA-N 2 2 338.408 -1.069 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193755209 790888809 /nfs/dbraw/zinc/88/88/09/790888809.db2.gz IFRFBAOAJLHKQD-HZSPNIEDSA-N 2 2 325.413 -1.643 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001193755209 790888797 /nfs/dbraw/zinc/88/87/97/790888797.db2.gz IFRFBAOAJLHKQD-HZSPNIEDSA-N 2 2 325.413 -1.643 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193755210 790889876 /nfs/dbraw/zinc/88/98/76/790889876.db2.gz IFRFBAOAJLHKQD-MGPQQGTHSA-N 2 2 325.413 -1.643 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001193755210 790889866 /nfs/dbraw/zinc/88/98/66/790889866.db2.gz IFRFBAOAJLHKQD-MGPQQGTHSA-N 2 2 325.413 -1.643 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193756006 790889349 /nfs/dbraw/zinc/88/93/49/790889349.db2.gz OSRNHUPDHHTTEF-NFAWXSAZSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193756006 790889334 /nfs/dbraw/zinc/88/93/34/790889334.db2.gz OSRNHUPDHHTTEF-NFAWXSAZSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193756007 790888406 /nfs/dbraw/zinc/88/84/06/790888406.db2.gz OSRNHUPDHHTTEF-UMVBOHGHSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193756007 790888395 /nfs/dbraw/zinc/88/83/95/790888395.db2.gz OSRNHUPDHHTTEF-UMVBOHGHSA-N 2 2 326.441 -1.034 20 0 EAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756535 790887659 /nfs/dbraw/zinc/88/76/59/790887659.db2.gz TUAXSJBDPJHVAJ-HZSPNIEDSA-N 2 2 325.413 -1.379 20 0 EAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756535 790887649 /nfs/dbraw/zinc/88/76/49/790887649.db2.gz TUAXSJBDPJHVAJ-HZSPNIEDSA-N 2 2 325.413 -1.379 20 0 EAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756536 790888681 /nfs/dbraw/zinc/88/86/81/790888681.db2.gz TUAXSJBDPJHVAJ-MGPQQGTHSA-N 2 2 325.413 -1.379 20 0 EAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756536 790888671 /nfs/dbraw/zinc/88/86/71/790888671.db2.gz TUAXSJBDPJHVAJ-MGPQQGTHSA-N 2 2 325.413 -1.379 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001193765952 790887947 /nfs/dbraw/zinc/88/79/47/790887947.db2.gz LFFJBKPFPWEPFW-GRYCIOLGSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001193765952 790887935 /nfs/dbraw/zinc/88/79/35/790887935.db2.gz LFFJBKPFPWEPFW-GRYCIOLGSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001193765953 790889617 /nfs/dbraw/zinc/88/96/17/790889617.db2.gz LFFJBKPFPWEPFW-IJLUTSLNSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CCC1 ZINC001193765953 790889602 /nfs/dbraw/zinc/88/96/02/790889602.db2.gz LFFJBKPFPWEPFW-IJLUTSLNSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CCC1 ZINC001193766811 790889744 /nfs/dbraw/zinc/88/97/44/790889744.db2.gz YDVYTJHFUIONRK-CHWSQXEVSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CCC1 ZINC001193766811 790889737 /nfs/dbraw/zinc/88/97/37/790889737.db2.gz YDVYTJHFUIONRK-CHWSQXEVSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C1CC1 ZINC001193792052 790889508 /nfs/dbraw/zinc/88/95/08/790889508.db2.gz VJJJLLCFLPTQRR-MCIONIFRSA-N 2 2 339.440 -1.487 20 0 EAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C1CC1 ZINC001193792052 790889494 /nfs/dbraw/zinc/88/94/94/790889494.db2.gz VJJJLLCFLPTQRR-MCIONIFRSA-N 2 2 339.440 -1.487 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C1CC1 ZINC001193792053 790890286 /nfs/dbraw/zinc/89/02/86/790890286.db2.gz VJJJLLCFLPTQRR-MGPQQGTHSA-N 2 2 339.440 -1.487 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C1CC1 ZINC001193792053 790890270 /nfs/dbraw/zinc/89/02/70/790890270.db2.gz VJJJLLCFLPTQRR-MGPQQGTHSA-N 2 2 339.440 -1.487 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805686 790892022 /nfs/dbraw/zinc/89/20/22/790892022.db2.gz SVWLVBJNCHEQLH-MVWJERBFSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805686 790892012 /nfs/dbraw/zinc/89/20/12/790892012.db2.gz SVWLVBJNCHEQLH-MVWJERBFSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805686 790891999 /nfs/dbraw/zinc/89/19/99/790891999.db2.gz SVWLVBJNCHEQLH-MVWJERBFSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805686 790891985 /nfs/dbraw/zinc/89/19/85/790891985.db2.gz SVWLVBJNCHEQLH-MVWJERBFSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805687 790892678 /nfs/dbraw/zinc/89/26/78/790892678.db2.gz SVWLVBJNCHEQLH-YUSALJHKSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805687 790892663 /nfs/dbraw/zinc/89/26/63/790892663.db2.gz SVWLVBJNCHEQLH-YUSALJHKSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805687 790892647 /nfs/dbraw/zinc/89/26/47/790892647.db2.gz SVWLVBJNCHEQLH-YUSALJHKSA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805687 790892634 /nfs/dbraw/zinc/89/26/34/790892634.db2.gz SVWLVBJNCHEQLH-YUSALJHKSA-N 2 2 341.412 -1.785 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820945 790892114 /nfs/dbraw/zinc/89/21/14/790892114.db2.gz AMCCJKNPBYESGP-ZIAGYGMSSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820945 790892098 /nfs/dbraw/zinc/89/20/98/790892098.db2.gz AMCCJKNPBYESGP-ZIAGYGMSSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820945 790892085 /nfs/dbraw/zinc/89/20/85/790892085.db2.gz AMCCJKNPBYESGP-ZIAGYGMSSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820945 790892072 /nfs/dbraw/zinc/89/20/72/790892072.db2.gz AMCCJKNPBYESGP-ZIAGYGMSSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820971 790893226 /nfs/dbraw/zinc/89/32/26/790893226.db2.gz AWXZUGOLZLYBRC-FRRDWIJNSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820971 790893210 /nfs/dbraw/zinc/89/32/10/790893210.db2.gz AWXZUGOLZLYBRC-FRRDWIJNSA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820971 790893196 /nfs/dbraw/zinc/89/31/96/790893196.db2.gz AWXZUGOLZLYBRC-FRRDWIJNSA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820971 790893180 /nfs/dbraw/zinc/89/31/80/790893180.db2.gz AWXZUGOLZLYBRC-FRRDWIJNSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820973 790891353 /nfs/dbraw/zinc/89/13/53/790891353.db2.gz AWXZUGOLZLYBRC-JHJVBQTASA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820973 790891340 /nfs/dbraw/zinc/89/13/40/790891340.db2.gz AWXZUGOLZLYBRC-JHJVBQTASA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820973 790891329 /nfs/dbraw/zinc/89/13/29/790891329.db2.gz AWXZUGOLZLYBRC-JHJVBQTASA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)C1CCC1 ZINC001193820973 790891317 /nfs/dbraw/zinc/89/13/17/790891317.db2.gz AWXZUGOLZLYBRC-JHJVBQTASA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2)CC1 ZINC001193954026 790907104 /nfs/dbraw/zinc/90/71/04/790907104.db2.gz FMMNFRUZOKGMAN-ILXRZTDVSA-N 2 2 346.439 -2.034 20 0 EAADLP C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2)CC1 ZINC001193954028 790907009 /nfs/dbraw/zinc/90/70/09/790907009.db2.gz FMMNFRUZOKGMAN-KKUMJFAQSA-N 2 2 346.439 -2.034 20 0 EAADLP C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2)CC1 ZINC001193954030 790909083 /nfs/dbraw/zinc/90/90/83/790909083.db2.gz FMMNFRUZOKGMAN-QLFBSQMISA-N 2 2 346.439 -2.034 20 0 EAADLP C[NH+]1CCN(c2cncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2)CC1 ZINC001193954031 790907754 /nfs/dbraw/zinc/90/77/54/790907754.db2.gz FMMNFRUZOKGMAN-SOUVJXGZSA-N 2 2 346.439 -2.034 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001193954069 790907899 /nfs/dbraw/zinc/90/78/99/790907899.db2.gz PZEVICUJZBHJFY-NFAWXSAZSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001193954069 790907892 /nfs/dbraw/zinc/90/78/92/790907892.db2.gz PZEVICUJZBHJFY-NFAWXSAZSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001193961470 790907449 /nfs/dbraw/zinc/90/74/49/790907449.db2.gz QLCOHKHGDNYUDO-MCIONIFRSA-N 2 2 341.456 -1.241 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001193961470 790907441 /nfs/dbraw/zinc/90/74/41/790907441.db2.gz QLCOHKHGDNYUDO-MCIONIFRSA-N 2 2 341.456 -1.241 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)O1 ZINC001194054579 790920214 /nfs/dbraw/zinc/92/02/14/790920214.db2.gz RAPMKFFJFVHLOM-AAVRWANBSA-N 2 2 331.413 -2.124 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)O1 ZINC001194054579 790920208 /nfs/dbraw/zinc/92/02/08/790920208.db2.gz RAPMKFFJFVHLOM-AAVRWANBSA-N 2 2 331.413 -2.124 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)O1 ZINC001194054579 790920204 /nfs/dbraw/zinc/92/02/04/790920204.db2.gz RAPMKFFJFVHLOM-AAVRWANBSA-N 2 2 331.413 -2.124 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)O1 ZINC001194054579 790920202 /nfs/dbraw/zinc/92/02/02/790920202.db2.gz RAPMKFFJFVHLOM-AAVRWANBSA-N 2 2 331.413 -2.124 20 0 EAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001194054655 790919722 /nfs/dbraw/zinc/91/97/22/790919722.db2.gz SRPAHVMIWIHIGR-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001194054655 790919716 /nfs/dbraw/zinc/91/97/16/790919716.db2.gz SRPAHVMIWIHIGR-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054655 790919710 /nfs/dbraw/zinc/91/97/10/790919710.db2.gz SRPAHVMIWIHIGR-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054655 790919703 /nfs/dbraw/zinc/91/97/03/790919703.db2.gz SRPAHVMIWIHIGR-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095656 790926860 /nfs/dbraw/zinc/92/68/60/790926860.db2.gz KKYHENOWDDLSKZ-JHJVBQTASA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095656 790926852 /nfs/dbraw/zinc/92/68/52/790926852.db2.gz KKYHENOWDDLSKZ-JHJVBQTASA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095910 790926513 /nfs/dbraw/zinc/92/65/13/790926513.db2.gz VRZRHBUZLWXNGI-IJLUTSLNSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001194095910 790926498 /nfs/dbraw/zinc/92/64/98/790926498.db2.gz VRZRHBUZLWXNGI-IJLUTSLNSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001194102367 790926058 /nfs/dbraw/zinc/92/60/58/790926058.db2.gz JDGBFJGOMMJBDO-JHJVBQTASA-N 2 2 340.424 -1.363 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001194102367 790926051 /nfs/dbraw/zinc/92/60/51/790926051.db2.gz JDGBFJGOMMJBDO-JHJVBQTASA-N 2 2 340.424 -1.363 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155063 790929550 /nfs/dbraw/zinc/92/95/50/790929550.db2.gz QSJDONBKVBEBDZ-NEPJUHHUSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155063 790929541 /nfs/dbraw/zinc/92/95/41/790929541.db2.gz QSJDONBKVBEBDZ-NEPJUHHUSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155063 790929526 /nfs/dbraw/zinc/92/95/26/790929526.db2.gz QSJDONBKVBEBDZ-NEPJUHHUSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155063 790929518 /nfs/dbraw/zinc/92/95/18/790929518.db2.gz QSJDONBKVBEBDZ-NEPJUHHUSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155065 790928087 /nfs/dbraw/zinc/92/80/87/790928087.db2.gz QSJDONBKVBEBDZ-NWDGAFQWSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155065 790928085 /nfs/dbraw/zinc/92/80/85/790928085.db2.gz QSJDONBKVBEBDZ-NWDGAFQWSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155065 790928074 /nfs/dbraw/zinc/92/80/74/790928074.db2.gz QSJDONBKVBEBDZ-NWDGAFQWSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155065 790928068 /nfs/dbraw/zinc/92/80/68/790928068.db2.gz QSJDONBKVBEBDZ-NWDGAFQWSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155066 790929478 /nfs/dbraw/zinc/92/94/78/790929478.db2.gz QSJDONBKVBEBDZ-RYUDHWBXSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155066 790929471 /nfs/dbraw/zinc/92/94/71/790929471.db2.gz QSJDONBKVBEBDZ-RYUDHWBXSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155066 790929462 /nfs/dbraw/zinc/92/94/62/790929462.db2.gz QSJDONBKVBEBDZ-RYUDHWBXSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155066 790929456 /nfs/dbraw/zinc/92/94/56/790929456.db2.gz QSJDONBKVBEBDZ-RYUDHWBXSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155067 790928511 /nfs/dbraw/zinc/92/85/11/790928511.db2.gz QSJDONBKVBEBDZ-VXGBXAGGSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155067 790928506 /nfs/dbraw/zinc/92/85/06/790928506.db2.gz QSJDONBKVBEBDZ-VXGBXAGGSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155067 790928502 /nfs/dbraw/zinc/92/85/02/790928502.db2.gz QSJDONBKVBEBDZ-VXGBXAGGSA-N 2 2 341.412 -1.565 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C2)C1 ZINC001194155067 790928496 /nfs/dbraw/zinc/92/84/96/790928496.db2.gz QSJDONBKVBEBDZ-VXGBXAGGSA-N 2 2 341.412 -1.565 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001194192567 790933199 /nfs/dbraw/zinc/93/31/99/790933199.db2.gz YOGTXRFEBQGHDB-BPLDGKMQSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001194192567 790933193 /nfs/dbraw/zinc/93/31/93/790933193.db2.gz YOGTXRFEBQGHDB-BPLDGKMQSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001194192572 790934386 /nfs/dbraw/zinc/93/43/86/790934386.db2.gz YOGTXRFEBQGHDB-NWANDNLSSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001194192572 790934374 /nfs/dbraw/zinc/93/43/74/790934374.db2.gz YOGTXRFEBQGHDB-NWANDNLSSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001194243605 790939354 /nfs/dbraw/zinc/93/93/54/790939354.db2.gz AKQFNOHCBZAHKT-BPLDGKMQSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001194243605 790939343 /nfs/dbraw/zinc/93/93/43/790939343.db2.gz AKQFNOHCBZAHKT-BPLDGKMQSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001194243607 790938890 /nfs/dbraw/zinc/93/88/90/790938890.db2.gz AKQFNOHCBZAHKT-NWANDNLSSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001194243607 790938883 /nfs/dbraw/zinc/93/88/83/790938883.db2.gz AKQFNOHCBZAHKT-NWANDNLSSA-N 2 2 338.408 -1.384 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001194244423 790938051 /nfs/dbraw/zinc/93/80/51/790938051.db2.gz OXXDCFOPFMUAEB-CHWSQXEVSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001194244423 790938046 /nfs/dbraw/zinc/93/80/46/790938046.db2.gz OXXDCFOPFMUAEB-CHWSQXEVSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001194244423 790938044 /nfs/dbraw/zinc/93/80/44/790938044.db2.gz OXXDCFOPFMUAEB-CHWSQXEVSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001194244423 790938038 /nfs/dbraw/zinc/93/80/38/790938038.db2.gz OXXDCFOPFMUAEB-CHWSQXEVSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244727 790938175 /nfs/dbraw/zinc/93/81/75/790938175.db2.gz XRANHRPCKMVZMF-GRYCIOLGSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244727 790938169 /nfs/dbraw/zinc/93/81/69/790938169.db2.gz XRANHRPCKMVZMF-GRYCIOLGSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244727 790938166 /nfs/dbraw/zinc/93/81/66/790938166.db2.gz XRANHRPCKMVZMF-GRYCIOLGSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244727 790938160 /nfs/dbraw/zinc/93/81/60/790938160.db2.gz XRANHRPCKMVZMF-GRYCIOLGSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244728 790938025 /nfs/dbraw/zinc/93/80/25/790938025.db2.gz XRANHRPCKMVZMF-IJLUTSLNSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244728 790938021 /nfs/dbraw/zinc/93/80/21/790938021.db2.gz XRANHRPCKMVZMF-IJLUTSLNSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244728 790938018 /nfs/dbraw/zinc/93/80/18/790938018.db2.gz XRANHRPCKMVZMF-IJLUTSLNSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001194244728 790938014 /nfs/dbraw/zinc/93/80/14/790938014.db2.gz XRANHRPCKMVZMF-IJLUTSLNSA-N 2 2 340.424 -1.317 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290168 790945446 /nfs/dbraw/zinc/94/54/46/790945446.db2.gz PPWYAZKQGWHAEW-QLFBSQMISA-N 2 2 347.419 -1.042 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290168 790945441 /nfs/dbraw/zinc/94/54/41/790945441.db2.gz PPWYAZKQGWHAEW-QLFBSQMISA-N 2 2 347.419 -1.042 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290169 790945556 /nfs/dbraw/zinc/94/55/56/790945556.db2.gz PPWYAZKQGWHAEW-RBSFLKMASA-N 2 2 347.419 -1.042 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290169 790945549 /nfs/dbraw/zinc/94/55/49/790945549.db2.gz PPWYAZKQGWHAEW-RBSFLKMASA-N 2 2 347.419 -1.042 20 0 EAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290195 790945981 /nfs/dbraw/zinc/94/59/81/790945981.db2.gz QGNCOHLOQAJNBS-IACUBPJLSA-N 2 2 335.408 -1.057 20 0 EAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290195 790945972 /nfs/dbraw/zinc/94/59/72/790945972.db2.gz QGNCOHLOQAJNBS-IACUBPJLSA-N 2 2 335.408 -1.057 20 0 EAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290196 790945131 /nfs/dbraw/zinc/94/51/31/790945131.db2.gz QGNCOHLOQAJNBS-MRVWCRGKSA-N 2 2 335.408 -1.057 20 0 EAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290196 790945121 /nfs/dbraw/zinc/94/51/21/790945121.db2.gz QGNCOHLOQAJNBS-MRVWCRGKSA-N 2 2 335.408 -1.057 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321453 790944946 /nfs/dbraw/zinc/94/49/46/790944946.db2.gz XDKGVTDVOAXBDR-LERXQTSPSA-N 2 2 342.396 -1.482 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321453 790944941 /nfs/dbraw/zinc/94/49/41/790944941.db2.gz XDKGVTDVOAXBDR-LERXQTSPSA-N 2 2 342.396 -1.482 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321454 790946084 /nfs/dbraw/zinc/94/60/84/790946084.db2.gz XDKGVTDVOAXBDR-ZLKJLUDKSA-N 2 2 342.396 -1.482 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321454 790946075 /nfs/dbraw/zinc/94/60/75/790946075.db2.gz XDKGVTDVOAXBDR-ZLKJLUDKSA-N 2 2 342.396 -1.482 20 0 EAADLP C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460700 790954121 /nfs/dbraw/zinc/95/41/21/790954121.db2.gz QLZWLQTWEKCOPF-GFCCVEGCSA-N 2 2 329.426 -1.035 20 0 EAADLP C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460700 790954116 /nfs/dbraw/zinc/95/41/16/790954116.db2.gz QLZWLQTWEKCOPF-GFCCVEGCSA-N 2 2 329.426 -1.035 20 0 EAADLP C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460701 790953428 /nfs/dbraw/zinc/95/34/28/790953428.db2.gz QLZWLQTWEKCOPF-LBPRGKRZSA-N 2 2 329.426 -1.035 20 0 EAADLP C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460701 790953414 /nfs/dbraw/zinc/95/34/14/790953414.db2.gz QLZWLQTWEKCOPF-LBPRGKRZSA-N 2 2 329.426 -1.035 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909615 790979664 /nfs/dbraw/zinc/97/96/64/790979664.db2.gz SGNHDVYDEFEREI-JHJVBQTASA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909615 790979661 /nfs/dbraw/zinc/97/96/61/790979661.db2.gz SGNHDVYDEFEREI-JHJVBQTASA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909620 790978454 /nfs/dbraw/zinc/97/84/54/790978454.db2.gz SGNHDVYDEFEREI-YNEHKIRRSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909620 790978442 /nfs/dbraw/zinc/97/84/42/790978442.db2.gz SGNHDVYDEFEREI-YNEHKIRRSA-N 2 2 326.397 -1.479 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001195128969 790992658 /nfs/dbraw/zinc/99/26/58/790992658.db2.gz RTGRAGMFHMCZLL-RBSFLKMASA-N 2 2 348.407 -1.308 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001195128969 790992652 /nfs/dbraw/zinc/99/26/52/790992652.db2.gz RTGRAGMFHMCZLL-RBSFLKMASA-N 2 2 348.407 -1.308 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001195128970 790991816 /nfs/dbraw/zinc/99/18/16/790991816.db2.gz RTGRAGMFHMCZLL-RRFJBIMHSA-N 2 2 348.407 -1.308 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001195128970 790991811 /nfs/dbraw/zinc/99/18/11/790991811.db2.gz RTGRAGMFHMCZLL-RRFJBIMHSA-N 2 2 348.407 -1.308 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001195594070 791020527 /nfs/dbraw/zinc/02/05/27/791020527.db2.gz GRKCMLVXAMCFBC-KFWWJZLASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001195594070 791020514 /nfs/dbraw/zinc/02/05/14/791020514.db2.gz GRKCMLVXAMCFBC-KFWWJZLASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001195594070 791020503 /nfs/dbraw/zinc/02/05/03/791020503.db2.gz GRKCMLVXAMCFBC-KFWWJZLASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001195594070 791020494 /nfs/dbraw/zinc/02/04/94/791020494.db2.gz GRKCMLVXAMCFBC-KFWWJZLASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001195594071 791021627 /nfs/dbraw/zinc/02/16/27/791021627.db2.gz GRKCMLVXAMCFBC-RBSFLKMASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001195594071 791021619 /nfs/dbraw/zinc/02/16/19/791021619.db2.gz GRKCMLVXAMCFBC-RBSFLKMASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001195594071 791021608 /nfs/dbraw/zinc/02/16/08/791021608.db2.gz GRKCMLVXAMCFBC-RBSFLKMASA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001195594071 791021602 /nfs/dbraw/zinc/02/16/02/791021602.db2.gz GRKCMLVXAMCFBC-RBSFLKMASA-N 2 2 345.440 -1.734 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654551 791030638 /nfs/dbraw/zinc/03/06/38/791030638.db2.gz VBPQFHGCQIRJDO-CHWSQXEVSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654551 791030623 /nfs/dbraw/zinc/03/06/23/791030623.db2.gz VBPQFHGCQIRJDO-CHWSQXEVSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001195677223 791027467 /nfs/dbraw/zinc/02/74/67/791027467.db2.gz OQENPBVTJRZASQ-GRYCIOLGSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001195677223 791027458 /nfs/dbraw/zinc/02/74/58/791027458.db2.gz OQENPBVTJRZASQ-GRYCIOLGSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001195677225 791027616 /nfs/dbraw/zinc/02/76/16/791027616.db2.gz OQENPBVTJRZASQ-IJLUTSLNSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001195677225 791027606 /nfs/dbraw/zinc/02/76/06/791027606.db2.gz OQENPBVTJRZASQ-IJLUTSLNSA-N 2 2 338.408 -1.705 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195678112 791027530 /nfs/dbraw/zinc/02/75/30/791027530.db2.gz YUYJOGVFQQMOIP-JHJVBQTASA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195678112 791027522 /nfs/dbraw/zinc/02/75/22/791027522.db2.gz YUYJOGVFQQMOIP-JHJVBQTASA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195678114 791027593 /nfs/dbraw/zinc/02/75/93/791027593.db2.gz YUYJOGVFQQMOIP-YNEHKIRRSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195678114 791027584 /nfs/dbraw/zinc/02/75/84/791027584.db2.gz YUYJOGVFQQMOIP-YNEHKIRRSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195822082 791043323 /nfs/dbraw/zinc/04/33/23/791043323.db2.gz WLKZMSKIWWHMGN-MVWJERBFSA-N 2 2 341.412 -1.927 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195822082 791043312 /nfs/dbraw/zinc/04/33/12/791043312.db2.gz WLKZMSKIWWHMGN-MVWJERBFSA-N 2 2 341.412 -1.927 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195822083 791044247 /nfs/dbraw/zinc/04/42/47/791044247.db2.gz WLKZMSKIWWHMGN-YUSALJHKSA-N 2 2 341.412 -1.927 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195822083 791044239 /nfs/dbraw/zinc/04/42/39/791044239.db2.gz WLKZMSKIWWHMGN-YUSALJHKSA-N 2 2 341.412 -1.927 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001195828955 791043978 /nfs/dbraw/zinc/04/39/78/791043978.db2.gz LWFVKLZUHKWGSP-CHWSQXEVSA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001195828955 791043972 /nfs/dbraw/zinc/04/39/72/791043972.db2.gz LWFVKLZUHKWGSP-CHWSQXEVSA-N 2 2 348.469 -1.961 20 0 EAADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195849572 791044053 /nfs/dbraw/zinc/04/40/53/791044053.db2.gz BWKOQHNXMWTLEH-ZIAGYGMSSA-N 2 2 326.441 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195849572 791044049 /nfs/dbraw/zinc/04/40/49/791044049.db2.gz BWKOQHNXMWTLEH-ZIAGYGMSSA-N 2 2 326.441 -1.032 20 0 EAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850413 791043375 /nfs/dbraw/zinc/04/33/75/791043375.db2.gz JNSXDHWVBJNDNV-IJLUTSLNSA-N 2 2 343.428 -1.666 20 0 EAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850413 791043363 /nfs/dbraw/zinc/04/33/63/791043363.db2.gz JNSXDHWVBJNDNV-IJLUTSLNSA-N 2 2 343.428 -1.666 20 0 EAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850414 791043158 /nfs/dbraw/zinc/04/31/58/791043158.db2.gz JNSXDHWVBJNDNV-QJPTWQEYSA-N 2 2 343.428 -1.666 20 0 EAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850414 791043144 /nfs/dbraw/zinc/04/31/44/791043144.db2.gz JNSXDHWVBJNDNV-QJPTWQEYSA-N 2 2 343.428 -1.666 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195850569 791043923 /nfs/dbraw/zinc/04/39/23/791043923.db2.gz LPGJRRLRVJGCQO-ZIAGYGMSSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195850569 791043916 /nfs/dbraw/zinc/04/39/16/791043916.db2.gz LPGJRRLRVJGCQO-ZIAGYGMSSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195859063 791044099 /nfs/dbraw/zinc/04/40/99/791044099.db2.gz DHAWIFHNWARNHX-JHJVBQTASA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195859063 791044090 /nfs/dbraw/zinc/04/40/90/791044090.db2.gz DHAWIFHNWARNHX-JHJVBQTASA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195859064 791045213 /nfs/dbraw/zinc/04/52/13/791045213.db2.gz DHAWIFHNWARNHX-YNEHKIRRSA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195859064 791045206 /nfs/dbraw/zinc/04/52/06/791045206.db2.gz DHAWIFHNWARNHX-YNEHKIRRSA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001195859217 791045048 /nfs/dbraw/zinc/04/50/48/791045048.db2.gz GQQSDDKTUGBLLI-CHWSQXEVSA-N 2 2 348.469 -1.865 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001195859217 791045032 /nfs/dbraw/zinc/04/50/32/791045032.db2.gz GQQSDDKTUGBLLI-CHWSQXEVSA-N 2 2 348.469 -1.865 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001195859728 791045128 /nfs/dbraw/zinc/04/51/28/791045128.db2.gz NSEJWOVNHZRZGQ-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001195859728 791045117 /nfs/dbraw/zinc/04/51/17/791045117.db2.gz NSEJWOVNHZRZGQ-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001195859729 791043657 /nfs/dbraw/zinc/04/36/57/791043657.db2.gz NSEJWOVNHZRZGQ-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001195859729 791043649 /nfs/dbraw/zinc/04/36/49/791043649.db2.gz NSEJWOVNHZRZGQ-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001195859730 791043823 /nfs/dbraw/zinc/04/38/23/791043823.db2.gz NTGHHSZGOBIAGD-CHWSQXEVSA-N 2 2 328.413 -2.042 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001195859730 791043815 /nfs/dbraw/zinc/04/38/15/791043815.db2.gz NTGHHSZGOBIAGD-CHWSQXEVSA-N 2 2 328.413 -2.042 20 0 EAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001195859975 791045095 /nfs/dbraw/zinc/04/50/95/791045095.db2.gz QFNJTNGIJCRAMS-VXGBXAGGSA-N 2 2 336.458 -2.009 20 0 EAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001195859975 791045083 /nfs/dbraw/zinc/04/50/83/791045083.db2.gz QFNJTNGIJCRAMS-VXGBXAGGSA-N 2 2 336.458 -2.009 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001195859990 791043848 /nfs/dbraw/zinc/04/38/48/791043848.db2.gz QSOOSCRXKAAEMK-CHWSQXEVSA-N 2 2 348.407 -1.364 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001195859990 791043840 /nfs/dbraw/zinc/04/38/40/791043840.db2.gz QSOOSCRXKAAEMK-CHWSQXEVSA-N 2 2 348.407 -1.364 20 0 EAADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001195860006 791045345 /nfs/dbraw/zinc/04/53/45/791045345.db2.gz RHMTZZUZVFFVPY-BFHYXJOUSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001195860006 791045334 /nfs/dbraw/zinc/04/53/34/791045334.db2.gz RHMTZZUZVFFVPY-BFHYXJOUSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001195860007 791044283 /nfs/dbraw/zinc/04/42/83/791044283.db2.gz RHMTZZUZVFFVPY-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001195860007 791044271 /nfs/dbraw/zinc/04/42/71/791044271.db2.gz RHMTZZUZVFFVPY-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001195860331 791044768 /nfs/dbraw/zinc/04/47/68/791044768.db2.gz VRIQHUPPGZOUAX-ZIAGYGMSSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001195860331 791044761 /nfs/dbraw/zinc/04/47/61/791044761.db2.gz VRIQHUPPGZOUAX-ZIAGYGMSSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195860372 791043797 /nfs/dbraw/zinc/04/37/97/791043797.db2.gz WEXGEPQFSLKDGR-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195860372 791043787 /nfs/dbraw/zinc/04/37/87/791043787.db2.gz WEXGEPQFSLKDGR-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195860374 791043275 /nfs/dbraw/zinc/04/32/75/791043275.db2.gz WEXGEPQFSLKDGR-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001195860374 791043262 /nfs/dbraw/zinc/04/32/62/791043262.db2.gz WEXGEPQFSLKDGR-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869910 791050219 /nfs/dbraw/zinc/05/02/19/791050219.db2.gz FUOSTAQOBLNIFG-GMTAPVOTSA-N 2 2 329.401 -2.057 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869910 791050206 /nfs/dbraw/zinc/05/02/06/791050206.db2.gz FUOSTAQOBLNIFG-GMTAPVOTSA-N 2 2 329.401 -2.057 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869912 791049944 /nfs/dbraw/zinc/04/99/44/791049944.db2.gz FUOSTAQOBLNIFG-HBNTYKKESA-N 2 2 329.401 -2.057 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869912 791049940 /nfs/dbraw/zinc/04/99/40/791049940.db2.gz FUOSTAQOBLNIFG-HBNTYKKESA-N 2 2 329.401 -2.057 20 0 EAADLP C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001195869991 791049798 /nfs/dbraw/zinc/04/97/98/791049798.db2.gz GSUAHNWFOWCPEB-JHJVBQTASA-N 2 2 335.470 -1.220 20 0 EAADLP C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001195869991 791049785 /nfs/dbraw/zinc/04/97/85/791049785.db2.gz GSUAHNWFOWCPEB-JHJVBQTASA-N 2 2 335.470 -1.220 20 0 EAADLP C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001195869996 791048509 /nfs/dbraw/zinc/04/85/09/791048509.db2.gz GSUAHNWFOWCPEB-YNEHKIRRSA-N 2 2 335.470 -1.220 20 0 EAADLP C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001195869996 791048499 /nfs/dbraw/zinc/04/84/99/791048499.db2.gz GSUAHNWFOWCPEB-YNEHKIRRSA-N 2 2 335.470 -1.220 20 0 EAADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870686 791049565 /nfs/dbraw/zinc/04/95/65/791049565.db2.gz KBAMMASUJKNTIJ-BFHYXJOUSA-N 2 2 344.456 -1.359 20 0 EAADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870686 791049553 /nfs/dbraw/zinc/04/95/53/791049553.db2.gz KBAMMASUJKNTIJ-BFHYXJOUSA-N 2 2 344.456 -1.359 20 0 EAADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870688 791050183 /nfs/dbraw/zinc/05/01/83/791050183.db2.gz KBAMMASUJKNTIJ-MGPQQGTHSA-N 2 2 344.456 -1.359 20 0 EAADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870688 791050170 /nfs/dbraw/zinc/05/01/70/791050170.db2.gz KBAMMASUJKNTIJ-MGPQQGTHSA-N 2 2 344.456 -1.359 20 0 EAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871555 791050856 /nfs/dbraw/zinc/05/08/56/791050856.db2.gz PPUSJTNDTGWLLB-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871555 791050849 /nfs/dbraw/zinc/05/08/49/791050849.db2.gz PPUSJTNDTGWLLB-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001195973191 791052017 /nfs/dbraw/zinc/05/20/17/791052017.db2.gz PZEVICUJZBHJFY-UMVBOHGHSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001195981242 791051909 /nfs/dbraw/zinc/05/19/09/791051909.db2.gz QLCOHKHGDNYUDO-MGPQQGTHSA-N 2 2 341.456 -1.241 20 0 EAADLP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196184675 791074338 /nfs/dbraw/zinc/07/43/38/791074338.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196184675 791074334 /nfs/dbraw/zinc/07/43/34/791074334.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196184675 791074329 /nfs/dbraw/zinc/07/43/29/791074329.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196184676 791074258 /nfs/dbraw/zinc/07/42/58/791074258.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196184676 791074256 /nfs/dbraw/zinc/07/42/56/791074256.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196184676 791074250 /nfs/dbraw/zinc/07/42/50/791074250.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 2 2 329.441 -1.113 20 0 EAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001196185219 791070202 /nfs/dbraw/zinc/07/02/02/791070202.db2.gz ROXPXPNJRIJHQM-ZIAGYGMSSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001196185219 791070189 /nfs/dbraw/zinc/07/01/89/791070189.db2.gz ROXPXPNJRIJHQM-ZIAGYGMSSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196185219 791070178 /nfs/dbraw/zinc/07/01/78/791070178.db2.gz ROXPXPNJRIJHQM-ZIAGYGMSSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196185219 791070167 /nfs/dbraw/zinc/07/01/67/791070167.db2.gz ROXPXPNJRIJHQM-ZIAGYGMSSA-N 2 2 329.441 -1.112 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001196251342 791075772 /nfs/dbraw/zinc/07/57/72/791075772.db2.gz JDGBFJGOMMJBDO-FRRDWIJNSA-N 2 2 340.424 -1.363 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001196251342 791075770 /nfs/dbraw/zinc/07/57/70/791075770.db2.gz JDGBFJGOMMJBDO-FRRDWIJNSA-N 2 2 340.424 -1.363 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196251647 791076389 /nfs/dbraw/zinc/07/63/89/791076389.db2.gz OGHJGBOGISMHHM-RGCMKSIDSA-N 2 2 338.408 -1.306 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196251647 791076377 /nfs/dbraw/zinc/07/63/77/791076377.db2.gz OGHJGBOGISMHHM-RGCMKSIDSA-N 2 2 338.408 -1.306 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001196267918 791076037 /nfs/dbraw/zinc/07/60/37/791076037.db2.gz KKYHENOWDDLSKZ-FRRDWIJNSA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001196267918 791076027 /nfs/dbraw/zinc/07/60/27/791076027.db2.gz KKYHENOWDDLSKZ-FRRDWIJNSA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001196276725 791085149 /nfs/dbraw/zinc/08/51/49/791085149.db2.gz VRZRHBUZLWXNGI-GRYCIOLGSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001196276725 791085145 /nfs/dbraw/zinc/08/51/45/791085145.db2.gz VRZRHBUZLWXNGI-GRYCIOLGSA-N 2 2 341.412 -1.960 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196945349 791126032 /nfs/dbraw/zinc/12/60/32/791126032.db2.gz ASQGIAIUNOUCGM-HUUCEWRRSA-N 2 2 345.440 -1.467 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196945349 791126030 /nfs/dbraw/zinc/12/60/30/791126030.db2.gz ASQGIAIUNOUCGM-HUUCEWRRSA-N 2 2 345.440 -1.467 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196946155 791125918 /nfs/dbraw/zinc/12/59/18/791125918.db2.gz JMIDUKOTYJKVME-ZIAGYGMSSA-N 2 2 331.413 -2.121 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196946155 791125914 /nfs/dbraw/zinc/12/59/14/791125914.db2.gz JMIDUKOTYJKVME-ZIAGYGMSSA-N 2 2 331.413 -2.121 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196953296 791126143 /nfs/dbraw/zinc/12/61/43/791126143.db2.gz BSXPHBQPAVIOLZ-ZIAGYGMSSA-N 2 2 338.412 -1.838 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196953296 791126140 /nfs/dbraw/zinc/12/61/40/791126140.db2.gz BSXPHBQPAVIOLZ-ZIAGYGMSSA-N 2 2 338.412 -1.838 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196954182 791128983 /nfs/dbraw/zinc/12/89/83/791128983.db2.gz RSCQWINDKZKFMW-HUUCEWRRSA-N 2 2 337.424 -1.233 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196954182 791128975 /nfs/dbraw/zinc/12/89/75/791128975.db2.gz RSCQWINDKZKFMW-HUUCEWRRSA-N 2 2 337.424 -1.233 20 0 EAADLP C[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001197044122 791134328 /nfs/dbraw/zinc/13/43/28/791134328.db2.gz MXRCLJDHGRHSSA-UHFFFAOYSA-N 2 2 339.440 -1.569 20 0 EAADLP C[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001197044122 791134322 /nfs/dbraw/zinc/13/43/22/791134322.db2.gz MXRCLJDHGRHSSA-UHFFFAOYSA-N 2 2 339.440 -1.569 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197049151 791133859 /nfs/dbraw/zinc/13/38/59/791133859.db2.gz KJQULDWUTWOSFW-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197049151 791133857 /nfs/dbraw/zinc/13/38/57/791133857.db2.gz KJQULDWUTWOSFW-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197049160 791133417 /nfs/dbraw/zinc/13/34/17/791133417.db2.gz KJQULDWUTWOSFW-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197049160 791133415 /nfs/dbraw/zinc/13/34/15/791133415.db2.gz KJQULDWUTWOSFW-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197050135 791134712 /nfs/dbraw/zinc/13/47/12/791134712.db2.gz YBZFIXNXSFRSJP-CHWSQXEVSA-N 2 2 340.424 -1.362 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197050135 791134708 /nfs/dbraw/zinc/13/47/08/791134708.db2.gz YBZFIXNXSFRSJP-CHWSQXEVSA-N 2 2 340.424 -1.362 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197057833 791134597 /nfs/dbraw/zinc/13/45/97/791134597.db2.gz KNLSTWVAJBSHGT-CHWSQXEVSA-N 2 2 327.429 -1.485 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197057833 791134594 /nfs/dbraw/zinc/13/45/94/791134594.db2.gz KNLSTWVAJBSHGT-CHWSQXEVSA-N 2 2 327.429 -1.485 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197058092 791134491 /nfs/dbraw/zinc/13/44/91/791134491.db2.gz NWKDPXGMBPERKH-VXGBXAGGSA-N 2 2 341.412 -1.959 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197058092 791134486 /nfs/dbraw/zinc/13/44/86/791134486.db2.gz NWKDPXGMBPERKH-VXGBXAGGSA-N 2 2 341.412 -1.959 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197058143 791134789 /nfs/dbraw/zinc/13/47/89/791134789.db2.gz PFOBNGOAWXZALR-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197058143 791134784 /nfs/dbraw/zinc/13/47/84/791134784.db2.gz PFOBNGOAWXZALR-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197058145 791133470 /nfs/dbraw/zinc/13/34/70/791133470.db2.gz PFOBNGOAWXZALR-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197058145 791133464 /nfs/dbraw/zinc/13/34/64/791133464.db2.gz PFOBNGOAWXZALR-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197058340 791134885 /nfs/dbraw/zinc/13/48/85/791134885.db2.gz PVCKJEHNVCNNEO-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197058340 791134881 /nfs/dbraw/zinc/13/48/81/791134881.db2.gz PVCKJEHNVCNNEO-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197138424 791137749 /nfs/dbraw/zinc/13/77/49/791137749.db2.gz BHAFVARRIUCSTD-RBSFLKMASA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197138424 791137746 /nfs/dbraw/zinc/13/77/46/791137746.db2.gz BHAFVARRIUCSTD-RBSFLKMASA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197138425 791137991 /nfs/dbraw/zinc/13/79/91/791137991.db2.gz BHAFVARRIUCSTD-RRFJBIMHSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197138425 791137987 /nfs/dbraw/zinc/13/79/87/791137987.db2.gz BHAFVARRIUCSTD-RRFJBIMHSA-N 2 2 329.441 -1.113 20 0 EAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001197140410 791138298 /nfs/dbraw/zinc/13/82/98/791138298.db2.gz WRZCLGAAAJXHLA-HUUCEWRRSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001197140410 791138292 /nfs/dbraw/zinc/13/82/92/791138292.db2.gz WRZCLGAAAJXHLA-HUUCEWRRSA-N 2 2 329.441 -1.112 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001197158935 791140671 /nfs/dbraw/zinc/14/06/71/791140671.db2.gz ZAKFMVZQSAKADY-NEPJUHHUSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001197158935 791140662 /nfs/dbraw/zinc/14/06/62/791140662.db2.gz ZAKFMVZQSAKADY-NEPJUHHUSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158935 791140659 /nfs/dbraw/zinc/14/06/59/791140659.db2.gz ZAKFMVZQSAKADY-NEPJUHHUSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158935 791140649 /nfs/dbraw/zinc/14/06/49/791140649.db2.gz ZAKFMVZQSAKADY-NEPJUHHUSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001197158937 791141116 /nfs/dbraw/zinc/14/11/16/791141116.db2.gz ZAKFMVZQSAKADY-NWDGAFQWSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001197158937 791141111 /nfs/dbraw/zinc/14/11/11/791141111.db2.gz ZAKFMVZQSAKADY-NWDGAFQWSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158937 791141107 /nfs/dbraw/zinc/14/11/07/791141107.db2.gz ZAKFMVZQSAKADY-NWDGAFQWSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158937 791141102 /nfs/dbraw/zinc/14/11/02/791141102.db2.gz ZAKFMVZQSAKADY-NWDGAFQWSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001197158939 791141748 /nfs/dbraw/zinc/14/17/48/791141748.db2.gz ZAKFMVZQSAKADY-RYUDHWBXSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001197158939 791141740 /nfs/dbraw/zinc/14/17/40/791141740.db2.gz ZAKFMVZQSAKADY-RYUDHWBXSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158939 791141736 /nfs/dbraw/zinc/14/17/36/791141736.db2.gz ZAKFMVZQSAKADY-RYUDHWBXSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158939 791141728 /nfs/dbraw/zinc/14/17/28/791141728.db2.gz ZAKFMVZQSAKADY-RYUDHWBXSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001197158941 791141325 /nfs/dbraw/zinc/14/13/25/791141325.db2.gz ZAKFMVZQSAKADY-VXGBXAGGSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001197158941 791141322 /nfs/dbraw/zinc/14/13/22/791141322.db2.gz ZAKFMVZQSAKADY-VXGBXAGGSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158941 791141320 /nfs/dbraw/zinc/14/13/20/791141320.db2.gz ZAKFMVZQSAKADY-VXGBXAGGSA-N 2 2 325.413 -1.087 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001197158941 791141314 /nfs/dbraw/zinc/14/13/14/791141314.db2.gz ZAKFMVZQSAKADY-VXGBXAGGSA-N 2 2 325.413 -1.087 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319494 791148435 /nfs/dbraw/zinc/14/84/35/791148435.db2.gz KBGMSLCXYBEQRD-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319494 791148427 /nfs/dbraw/zinc/14/84/27/791148427.db2.gz KBGMSLCXYBEQRD-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319672 791147647 /nfs/dbraw/zinc/14/76/47/791147647.db2.gz NUXMFXOEGPDPSW-HZSPNIEDSA-N 2 2 342.440 -1.478 20 0 EAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319672 791147639 /nfs/dbraw/zinc/14/76/39/791147639.db2.gz NUXMFXOEGPDPSW-HZSPNIEDSA-N 2 2 342.440 -1.478 20 0 EAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319673 791148284 /nfs/dbraw/zinc/14/82/84/791148284.db2.gz NUXMFXOEGPDPSW-MGPQQGTHSA-N 2 2 342.440 -1.478 20 0 EAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319673 791148275 /nfs/dbraw/zinc/14/82/75/791148275.db2.gz NUXMFXOEGPDPSW-MGPQQGTHSA-N 2 2 342.440 -1.478 20 0 EAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320390 791147893 /nfs/dbraw/zinc/14/78/93/791147893.db2.gz YYASDFAIABNGKS-IACUBPJLSA-N 2 2 342.440 -1.607 20 0 EAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320390 791147888 /nfs/dbraw/zinc/14/78/88/791147888.db2.gz YYASDFAIABNGKS-IACUBPJLSA-N 2 2 342.440 -1.607 20 0 EAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320393 791148751 /nfs/dbraw/zinc/14/87/51/791148751.db2.gz YYASDFAIABNGKS-MRVWCRGKSA-N 2 2 342.440 -1.607 20 0 EAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320393 791148746 /nfs/dbraw/zinc/14/87/46/791148746.db2.gz YYASDFAIABNGKS-MRVWCRGKSA-N 2 2 342.440 -1.607 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197320439 791148201 /nfs/dbraw/zinc/14/82/01/791148201.db2.gz ZSBJLVYCKFYCNE-HZSPNIEDSA-N 2 2 340.424 -1.853 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197320439 791148190 /nfs/dbraw/zinc/14/81/90/791148190.db2.gz ZSBJLVYCKFYCNE-HZSPNIEDSA-N 2 2 340.424 -1.853 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197320440 791147789 /nfs/dbraw/zinc/14/77/89/791147789.db2.gz ZSBJLVYCKFYCNE-MGPQQGTHSA-N 2 2 340.424 -1.853 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197320440 791147782 /nfs/dbraw/zinc/14/77/82/791147782.db2.gz ZSBJLVYCKFYCNE-MGPQQGTHSA-N 2 2 340.424 -1.853 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493397 791164326 /nfs/dbraw/zinc/16/43/26/791164326.db2.gz LLTWPULBVUMLLV-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493397 791164318 /nfs/dbraw/zinc/16/43/18/791164318.db2.gz LLTWPULBVUMLLV-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493397 791164311 /nfs/dbraw/zinc/16/43/11/791164311.db2.gz LLTWPULBVUMLLV-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493397 791164302 /nfs/dbraw/zinc/16/43/02/791164302.db2.gz LLTWPULBVUMLLV-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493398 791163595 /nfs/dbraw/zinc/16/35/95/791163595.db2.gz LLTWPULBVUMLLV-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493398 791163593 /nfs/dbraw/zinc/16/35/93/791163593.db2.gz LLTWPULBVUMLLV-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493398 791163590 /nfs/dbraw/zinc/16/35/90/791163590.db2.gz LLTWPULBVUMLLV-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001197493398 791163586 /nfs/dbraw/zinc/16/35/86/791163586.db2.gz LLTWPULBVUMLLV-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001197493441 791163333 /nfs/dbraw/zinc/16/33/33/791163333.db2.gz NKOXQMPDTDSYTJ-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001197493441 791163326 /nfs/dbraw/zinc/16/33/26/791163326.db2.gz NKOXQMPDTDSYTJ-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001197493441 791163321 /nfs/dbraw/zinc/16/33/21/791163321.db2.gz NKOXQMPDTDSYTJ-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001197493441 791163315 /nfs/dbraw/zinc/16/33/15/791163315.db2.gz NKOXQMPDTDSYTJ-VXGBXAGGSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493582 791164252 /nfs/dbraw/zinc/16/42/52/791164252.db2.gz STRNQXVBFMBLMT-IJLUTSLNSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493582 791164247 /nfs/dbraw/zinc/16/42/47/791164247.db2.gz STRNQXVBFMBLMT-IJLUTSLNSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493582 791164240 /nfs/dbraw/zinc/16/42/40/791164240.db2.gz STRNQXVBFMBLMT-IJLUTSLNSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493582 791164233 /nfs/dbraw/zinc/16/42/33/791164233.db2.gz STRNQXVBFMBLMT-IJLUTSLNSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493583 791163878 /nfs/dbraw/zinc/16/38/78/791163878.db2.gz STRNQXVBFMBLMT-QJPTWQEYSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493583 791163871 /nfs/dbraw/zinc/16/38/71/791163871.db2.gz STRNQXVBFMBLMT-QJPTWQEYSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493583 791163865 /nfs/dbraw/zinc/16/38/65/791163865.db2.gz STRNQXVBFMBLMT-QJPTWQEYSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001197493583 791163857 /nfs/dbraw/zinc/16/38/57/791163857.db2.gz STRNQXVBFMBLMT-QJPTWQEYSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197528581 791161310 /nfs/dbraw/zinc/16/13/10/791161310.db2.gz OWSHLSPHKPRRPR-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197528581 791161306 /nfs/dbraw/zinc/16/13/06/791161306.db2.gz OWSHLSPHKPRRPR-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197528581 791161302 /nfs/dbraw/zinc/16/13/02/791161302.db2.gz OWSHLSPHKPRRPR-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197528581 791161299 /nfs/dbraw/zinc/16/12/99/791161299.db2.gz OWSHLSPHKPRRPR-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536238 791163793 /nfs/dbraw/zinc/16/37/93/791163793.db2.gz PYHJEXGUEPFAAA-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536238 791163790 /nfs/dbraw/zinc/16/37/90/791163790.db2.gz PYHJEXGUEPFAAA-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536238 791163784 /nfs/dbraw/zinc/16/37/84/791163784.db2.gz PYHJEXGUEPFAAA-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536238 791163780 /nfs/dbraw/zinc/16/37/80/791163780.db2.gz PYHJEXGUEPFAAA-BFHYXJOUSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536239 791164051 /nfs/dbraw/zinc/16/40/51/791164051.db2.gz PYHJEXGUEPFAAA-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536239 791164045 /nfs/dbraw/zinc/16/40/45/791164045.db2.gz PYHJEXGUEPFAAA-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536239 791164039 /nfs/dbraw/zinc/16/40/39/791164039.db2.gz PYHJEXGUEPFAAA-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197536239 791164032 /nfs/dbraw/zinc/16/40/32/791164032.db2.gz PYHJEXGUEPFAAA-MGPQQGTHSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536620 791162488 /nfs/dbraw/zinc/16/24/88/791162488.db2.gz WZDYHADCEDBVEX-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536620 791162481 /nfs/dbraw/zinc/16/24/81/791162481.db2.gz WZDYHADCEDBVEX-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536620 791162474 /nfs/dbraw/zinc/16/24/74/791162474.db2.gz WZDYHADCEDBVEX-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536620 791162471 /nfs/dbraw/zinc/16/24/71/791162471.db2.gz WZDYHADCEDBVEX-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536621 791162363 /nfs/dbraw/zinc/16/23/63/791162363.db2.gz WZDYHADCEDBVEX-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536621 791162357 /nfs/dbraw/zinc/16/23/57/791162357.db2.gz WZDYHADCEDBVEX-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536621 791162353 /nfs/dbraw/zinc/16/23/53/791162353.db2.gz WZDYHADCEDBVEX-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197536621 791162344 /nfs/dbraw/zinc/16/23/44/791162344.db2.gz WZDYHADCEDBVEX-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nn1-c1cc[nH+]cc1 ZINC001197547840 791163701 /nfs/dbraw/zinc/16/37/01/791163701.db2.gz BLWZGOKDOSGYME-HZSPNIEDSA-N 2 2 328.380 -1.292 20 0 EAADLP Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nn1-c1cc[nH+]cc1 ZINC001197547841 791163958 /nfs/dbraw/zinc/16/39/58/791163958.db2.gz BLWZGOKDOSGYME-IHRRRGAJSA-N 2 2 328.380 -1.292 20 0 EAADLP Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nn1-c1cc[nH+]cc1 ZINC001197547843 791163828 /nfs/dbraw/zinc/16/38/28/791163828.db2.gz BLWZGOKDOSGYME-MELADBBJSA-N 2 2 328.380 -1.292 20 0 EAADLP Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nn1-c1cc[nH+]cc1 ZINC001197547845 791163901 /nfs/dbraw/zinc/16/39/01/791163901.db2.gz BLWZGOKDOSGYME-RDBSUJKOSA-N 2 2 328.380 -1.292 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775511 791177296 /nfs/dbraw/zinc/17/72/96/791177296.db2.gz MQNMNZNVSLDMAK-ZIAGYGMSSA-N 2 2 326.397 -1.213 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775511 791177292 /nfs/dbraw/zinc/17/72/92/791177292.db2.gz MQNMNZNVSLDMAK-ZIAGYGMSSA-N 2 2 326.397 -1.213 20 0 EAADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001197782037 791177855 /nfs/dbraw/zinc/17/78/55/791177855.db2.gz FBXPLIZDNXBHTK-ZIAGYGMSSA-N 2 2 325.413 -1.340 20 0 EAADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001197782037 791177848 /nfs/dbraw/zinc/17/78/48/791177848.db2.gz FBXPLIZDNXBHTK-ZIAGYGMSSA-N 2 2 325.413 -1.340 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782042 791178070 /nfs/dbraw/zinc/17/80/70/791178070.db2.gz FGGUAGDBXQYRIG-ZIAGYGMSSA-N 2 2 344.456 -1.406 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782042 791178067 /nfs/dbraw/zinc/17/80/67/791178067.db2.gz FGGUAGDBXQYRIG-ZIAGYGMSSA-N 2 2 344.456 -1.406 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782455 791177170 /nfs/dbraw/zinc/17/71/70/791177170.db2.gz JCOHDYFMEMEOMW-CHWSQXEVSA-N 2 2 330.429 -1.796 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782455 791177164 /nfs/dbraw/zinc/17/71/64/791177164.db2.gz JCOHDYFMEMEOMW-CHWSQXEVSA-N 2 2 330.429 -1.796 20 0 EAADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782889 791177133 /nfs/dbraw/zinc/17/71/33/791177133.db2.gz KFAVMWQCVDUHIU-ZIAGYGMSSA-N 2 2 325.413 -1.340 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197782948 791178251 /nfs/dbraw/zinc/17/82/51/791178251.db2.gz LIAMTCBMISQOPW-CHWSQXEVSA-N 2 2 328.413 -2.042 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197782948 791178244 /nfs/dbraw/zinc/17/82/44/791178244.db2.gz LIAMTCBMISQOPW-CHWSQXEVSA-N 2 2 328.413 -2.042 20 0 EAADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197783027 791177487 /nfs/dbraw/zinc/17/74/87/791177487.db2.gz MQOXMWZEIJMOCX-HUUCEWRRSA-N 2 2 339.440 -1.032 20 0 EAADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197783027 791177482 /nfs/dbraw/zinc/17/74/82/791177482.db2.gz MQOXMWZEIJMOCX-HUUCEWRRSA-N 2 2 339.440 -1.032 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197783701 791177531 /nfs/dbraw/zinc/17/75/31/791177531.db2.gz QDNQSPVBMZCKOX-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197783701 791177526 /nfs/dbraw/zinc/17/75/26/791177526.db2.gz QDNQSPVBMZCKOX-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197783919 791177346 /nfs/dbraw/zinc/17/73/46/791177346.db2.gz ROMJCDNOCKUVLB-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197783919 791177338 /nfs/dbraw/zinc/17/73/38/791177338.db2.gz ROMJCDNOCKUVLB-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784541 791180141 /nfs/dbraw/zinc/18/01/41/791180141.db2.gz YRDVSVSIWOARLF-ZIAGYGMSSA-N 2 2 344.456 -1.407 20 0 EAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784541 791180134 /nfs/dbraw/zinc/18/01/34/791180134.db2.gz YRDVSVSIWOARLF-ZIAGYGMSSA-N 2 2 344.456 -1.407 20 0 EAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791590 791179062 /nfs/dbraw/zinc/17/90/62/791179062.db2.gz FOKXLJLVANLLTC-JHJVBQTASA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791590 791179056 /nfs/dbraw/zinc/17/90/56/791179056.db2.gz FOKXLJLVANLLTC-JHJVBQTASA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791590 791179053 /nfs/dbraw/zinc/17/90/53/791179053.db2.gz FOKXLJLVANLLTC-JHJVBQTASA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791590 791179046 /nfs/dbraw/zinc/17/90/46/791179046.db2.gz FOKXLJLVANLLTC-JHJVBQTASA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791592 791179735 /nfs/dbraw/zinc/17/97/35/791179735.db2.gz FOKXLJLVANLLTC-YNEHKIRRSA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791592 791179731 /nfs/dbraw/zinc/17/97/31/791179731.db2.gz FOKXLJLVANLLTC-YNEHKIRRSA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791592 791179726 /nfs/dbraw/zinc/17/97/26/791179726.db2.gz FOKXLJLVANLLTC-YNEHKIRRSA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001197791592 791179723 /nfs/dbraw/zinc/17/97/23/791179723.db2.gz FOKXLJLVANLLTC-YNEHKIRRSA-N 2 2 348.469 -1.961 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197792813 791178973 /nfs/dbraw/zinc/17/89/73/791178973.db2.gz QRGJLNUHRSSMMW-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792813 791178968 /nfs/dbraw/zinc/17/89/68/791178968.db2.gz QRGJLNUHRSSMMW-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792813 791178961 /nfs/dbraw/zinc/17/89/61/791178961.db2.gz QRGJLNUHRSSMMW-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792813 791178953 /nfs/dbraw/zinc/17/89/53/791178953.db2.gz QRGJLNUHRSSMMW-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197792815 791178692 /nfs/dbraw/zinc/17/86/92/791178692.db2.gz QRGJLNUHRSSMMW-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792815 791178687 /nfs/dbraw/zinc/17/86/87/791178687.db2.gz QRGJLNUHRSSMMW-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792815 791178680 /nfs/dbraw/zinc/17/86/80/791178680.db2.gz QRGJLNUHRSSMMW-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792815 791178675 /nfs/dbraw/zinc/17/86/75/791178675.db2.gz QRGJLNUHRSSMMW-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001197817073 791181251 /nfs/dbraw/zinc/18/12/51/791181251.db2.gz FURKXEDZBALUOT-UHFFFAOYSA-N 2 2 329.401 -1.706 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001197817073 791181247 /nfs/dbraw/zinc/18/12/47/791181247.db2.gz FURKXEDZBALUOT-UHFFFAOYSA-N 2 2 329.401 -1.706 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817741 791180888 /nfs/dbraw/zinc/18/08/88/791180888.db2.gz QDMDAQPWSPLVSX-UHFFFAOYSA-N 2 2 343.428 -1.446 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817741 791180882 /nfs/dbraw/zinc/18/08/82/791180882.db2.gz QDMDAQPWSPLVSX-UHFFFAOYSA-N 2 2 343.428 -1.446 20 0 EAADLP O=C(NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001197819799 791180845 /nfs/dbraw/zinc/18/08/45/791180845.db2.gz NOLNRPPDLMWMTQ-ZIAGYGMSSA-N 2 2 336.436 -1.230 20 0 EAADLP O=C(NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001197819799 791180840 /nfs/dbraw/zinc/18/08/40/791180840.db2.gz NOLNRPPDLMWMTQ-ZIAGYGMSSA-N 2 2 336.436 -1.230 20 0 EAADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825163 791181085 /nfs/dbraw/zinc/18/10/85/791181085.db2.gz AJHNKOJDJKRXLD-BFHYXJOUSA-N 2 2 344.456 -1.359 20 0 EAADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825163 791181079 /nfs/dbraw/zinc/18/10/79/791181079.db2.gz AJHNKOJDJKRXLD-BFHYXJOUSA-N 2 2 344.456 -1.359 20 0 EAADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825164 791181621 /nfs/dbraw/zinc/18/16/21/791181621.db2.gz AJHNKOJDJKRXLD-MGPQQGTHSA-N 2 2 344.456 -1.359 20 0 EAADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825164 791181615 /nfs/dbraw/zinc/18/16/15/791181615.db2.gz AJHNKOJDJKRXLD-MGPQQGTHSA-N 2 2 344.456 -1.359 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001197825670 791181205 /nfs/dbraw/zinc/18/12/05/791181205.db2.gz FLPMTNPPVXZJSS-ZIAGYGMSSA-N 2 2 342.440 -1.748 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001197825670 791181202 /nfs/dbraw/zinc/18/12/02/791181202.db2.gz FLPMTNPPVXZJSS-ZIAGYGMSSA-N 2 2 342.440 -1.748 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826009 791180759 /nfs/dbraw/zinc/18/07/59/791180759.db2.gz LYTBVCJHRIJMSS-JHJVBQTASA-N 2 2 330.429 -1.797 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826009 791180754 /nfs/dbraw/zinc/18/07/54/791180754.db2.gz LYTBVCJHRIJMSS-JHJVBQTASA-N 2 2 330.429 -1.797 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826010 791181578 /nfs/dbraw/zinc/18/15/78/791181578.db2.gz LYTBVCJHRIJMSS-YNEHKIRRSA-N 2 2 330.429 -1.797 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826010 791181574 /nfs/dbraw/zinc/18/15/74/791181574.db2.gz LYTBVCJHRIJMSS-YNEHKIRRSA-N 2 2 330.429 -1.797 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197826169 791181066 /nfs/dbraw/zinc/18/10/66/791181066.db2.gz OWUXDIVLTOWWDU-GRYCIOLGSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197826169 791181061 /nfs/dbraw/zinc/18/10/61/791181061.db2.gz OWUXDIVLTOWWDU-GRYCIOLGSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197826170 791181318 /nfs/dbraw/zinc/18/13/18/791181318.db2.gz OWUXDIVLTOWWDU-IJLUTSLNSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197826170 791181316 /nfs/dbraw/zinc/18/13/16/791181316.db2.gz OWUXDIVLTOWWDU-IJLUTSLNSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197826184 791181002 /nfs/dbraw/zinc/18/10/02/791181002.db2.gz PLUPBYADKKJLNC-FRRDWIJNSA-N 2 2 328.413 -1.996 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197826184 791180996 /nfs/dbraw/zinc/18/09/96/791180996.db2.gz PLUPBYADKKJLNC-FRRDWIJNSA-N 2 2 328.413 -1.996 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197826185 791181148 /nfs/dbraw/zinc/18/11/48/791181148.db2.gz PLUPBYADKKJLNC-JHJVBQTASA-N 2 2 328.413 -1.996 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197826185 791181144 /nfs/dbraw/zinc/18/11/44/791181144.db2.gz PLUPBYADKKJLNC-JHJVBQTASA-N 2 2 328.413 -1.996 20 0 EAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826224 791181986 /nfs/dbraw/zinc/18/19/86/791181986.db2.gz RFGVPKYFDVZCNC-FRRDWIJNSA-N 2 2 328.413 -2.043 20 0 EAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826224 791181977 /nfs/dbraw/zinc/18/19/77/791181977.db2.gz RFGVPKYFDVZCNC-FRRDWIJNSA-N 2 2 328.413 -2.043 20 0 EAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826225 791181902 /nfs/dbraw/zinc/18/19/02/791181902.db2.gz RFGVPKYFDVZCNC-JHJVBQTASA-N 2 2 328.413 -2.043 20 0 EAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826225 791181896 /nfs/dbraw/zinc/18/18/96/791181896.db2.gz RFGVPKYFDVZCNC-JHJVBQTASA-N 2 2 328.413 -2.043 20 0 EAADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826248 791181954 /nfs/dbraw/zinc/18/19/54/791181954.db2.gz SDSBOBMXLHVYRA-HZSPNIEDSA-N 2 2 344.456 -1.230 20 0 EAADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826248 791181946 /nfs/dbraw/zinc/18/19/46/791181946.db2.gz SDSBOBMXLHVYRA-HZSPNIEDSA-N 2 2 344.456 -1.230 20 0 EAADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826249 791181669 /nfs/dbraw/zinc/18/16/69/791181669.db2.gz SDSBOBMXLHVYRA-MGPQQGTHSA-N 2 2 344.456 -1.230 20 0 EAADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826249 791181664 /nfs/dbraw/zinc/18/16/64/791181664.db2.gz SDSBOBMXLHVYRA-MGPQQGTHSA-N 2 2 344.456 -1.230 20 0 EAADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826254 791181934 /nfs/dbraw/zinc/18/19/34/791181934.db2.gz SLCTYMZPCJLZIH-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826254 791181926 /nfs/dbraw/zinc/18/19/26/791181926.db2.gz SLCTYMZPCJLZIH-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826255 791181482 /nfs/dbraw/zinc/18/14/82/791181482.db2.gz SLCTYMZPCJLZIH-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826255 791181477 /nfs/dbraw/zinc/18/14/77/791181477.db2.gz SLCTYMZPCJLZIH-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826260 791181770 /nfs/dbraw/zinc/18/17/70/791181770.db2.gz SVEMMUKXIGILPN-IACUBPJLSA-N 2 2 342.440 -1.607 20 0 EAADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826260 791181767 /nfs/dbraw/zinc/18/17/67/791181767.db2.gz SVEMMUKXIGILPN-IACUBPJLSA-N 2 2 342.440 -1.607 20 0 EAADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826261 791180921 /nfs/dbraw/zinc/18/09/21/791180921.db2.gz SVEMMUKXIGILPN-MRVWCRGKSA-N 2 2 342.440 -1.607 20 0 EAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826261 791180916 /nfs/dbraw/zinc/18/09/16/791180916.db2.gz SVEMMUKXIGILPN-MRVWCRGKSA-N 2 2 342.440 -1.607 20 0 EAADLP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826362 791181298 /nfs/dbraw/zinc/18/12/98/791181298.db2.gz UDMBZCMIKPYMSU-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826362 791181295 /nfs/dbraw/zinc/18/12/95/791181295.db2.gz UDMBZCMIKPYMSU-HZSPNIEDSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826364 791180588 /nfs/dbraw/zinc/18/05/88/791180588.db2.gz UDMBZCMIKPYMSU-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826364 791180581 /nfs/dbraw/zinc/18/05/81/791180581.db2.gz UDMBZCMIKPYMSU-MGPQQGTHSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832096 791180183 /nfs/dbraw/zinc/18/01/83/791180183.db2.gz IZQKLFBXNHVHTJ-GFCCVEGCSA-N 2 2 343.428 -1.318 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832096 791180178 /nfs/dbraw/zinc/18/01/78/791180178.db2.gz IZQKLFBXNHVHTJ-GFCCVEGCSA-N 2 2 343.428 -1.318 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832097 791179813 /nfs/dbraw/zinc/17/98/13/791179813.db2.gz IZQKLFBXNHVHTJ-LBPRGKRZSA-N 2 2 343.428 -1.318 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832097 791179810 /nfs/dbraw/zinc/17/98/10/791179810.db2.gz IZQKLFBXNHVHTJ-LBPRGKRZSA-N 2 2 343.428 -1.318 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833254 791179304 /nfs/dbraw/zinc/17/93/04/791179304.db2.gz DZVQAMJSHPSEGF-NJZAAPMLSA-N 2 2 338.408 -1.070 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833254 791179291 /nfs/dbraw/zinc/17/92/91/791179291.db2.gz DZVQAMJSHPSEGF-NJZAAPMLSA-N 2 2 338.408 -1.070 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833290 791179529 /nfs/dbraw/zinc/17/95/29/791179529.db2.gz DZVQAMJSHPSEGF-UXIGCNINSA-N 2 2 338.408 -1.070 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833290 791179525 /nfs/dbraw/zinc/17/95/25/791179525.db2.gz DZVQAMJSHPSEGF-UXIGCNINSA-N 2 2 338.408 -1.070 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001197833589 791179124 /nfs/dbraw/zinc/17/91/24/791179124.db2.gz XOUBJMXNWUBHLO-CYBMUJFWSA-N 2 2 340.424 -1.096 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001197833589 791179117 /nfs/dbraw/zinc/17/91/17/791179117.db2.gz XOUBJMXNWUBHLO-CYBMUJFWSA-N 2 2 340.424 -1.096 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001197833590 791179194 /nfs/dbraw/zinc/17/91/94/791179194.db2.gz XOUBJMXNWUBHLO-ZDUSSCGKSA-N 2 2 340.424 -1.096 20 0 EAADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001197833590 791179187 /nfs/dbraw/zinc/17/91/87/791179187.db2.gz XOUBJMXNWUBHLO-ZDUSSCGKSA-N 2 2 340.424 -1.096 20 0 EAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197834069 791179980 /nfs/dbraw/zinc/17/99/80/791179980.db2.gz ROAWEPIWVMDTNJ-UKRRQHHQSA-N 2 2 338.408 -1.069 20 0 EAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197834069 791179979 /nfs/dbraw/zinc/17/99/79/791179979.db2.gz ROAWEPIWVMDTNJ-UKRRQHHQSA-N 2 2 338.408 -1.069 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925979 791184968 /nfs/dbraw/zinc/18/49/68/791184968.db2.gz AJQHGLPQUHHADN-IJLUTSLNSA-N 2 2 343.428 -1.537 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925979 791184965 /nfs/dbraw/zinc/18/49/65/791184965.db2.gz AJQHGLPQUHHADN-IJLUTSLNSA-N 2 2 343.428 -1.537 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925981 791184574 /nfs/dbraw/zinc/18/45/74/791184574.db2.gz AJQHGLPQUHHADN-QJPTWQEYSA-N 2 2 343.428 -1.537 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925981 791184569 /nfs/dbraw/zinc/18/45/69/791184569.db2.gz AJQHGLPQUHHADN-QJPTWQEYSA-N 2 2 343.428 -1.537 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197948466 791187087 /nfs/dbraw/zinc/18/70/87/791187087.db2.gz IPUSKIGBJHKAAR-FRRDWIJNSA-N 2 2 340.424 -1.315 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197948466 791187083 /nfs/dbraw/zinc/18/70/83/791187083.db2.gz IPUSKIGBJHKAAR-FRRDWIJNSA-N 2 2 340.424 -1.315 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197948470 791186439 /nfs/dbraw/zinc/18/64/39/791186439.db2.gz IPUSKIGBJHKAAR-JHJVBQTASA-N 2 2 340.424 -1.315 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001197948470 791186433 /nfs/dbraw/zinc/18/64/33/791186433.db2.gz IPUSKIGBJHKAAR-JHJVBQTASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198020451 791191639 /nfs/dbraw/zinc/19/16/39/791191639.db2.gz MZPCHGKQNDGGQQ-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198020451 791191635 /nfs/dbraw/zinc/19/16/35/791191635.db2.gz MZPCHGKQNDGGQQ-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198020451 791191631 /nfs/dbraw/zinc/19/16/31/791191631.db2.gz MZPCHGKQNDGGQQ-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198020451 791191627 /nfs/dbraw/zinc/19/16/27/791191627.db2.gz MZPCHGKQNDGGQQ-ZIAGYGMSSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001198028678 791191856 /nfs/dbraw/zinc/19/18/56/791191856.db2.gz GBMJSKLRLMQPIF-CHWSQXEVSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001198028678 791191852 /nfs/dbraw/zinc/19/18/52/791191852.db2.gz GBMJSKLRLMQPIF-CHWSQXEVSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001198028678 791191847 /nfs/dbraw/zinc/19/18/47/791191847.db2.gz GBMJSKLRLMQPIF-CHWSQXEVSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001198028678 791191844 /nfs/dbraw/zinc/19/18/44/791191844.db2.gz GBMJSKLRLMQPIF-CHWSQXEVSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028723 791191956 /nfs/dbraw/zinc/19/19/56/791191956.db2.gz GZOZLFVLRVEADE-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028723 791191949 /nfs/dbraw/zinc/19/19/49/791191949.db2.gz GZOZLFVLRVEADE-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028723 791191943 /nfs/dbraw/zinc/19/19/43/791191943.db2.gz GZOZLFVLRVEADE-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028723 791191939 /nfs/dbraw/zinc/19/19/39/791191939.db2.gz GZOZLFVLRVEADE-GRYCIOLGSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028725 791191811 /nfs/dbraw/zinc/19/18/11/791191811.db2.gz GZOZLFVLRVEADE-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028725 791191807 /nfs/dbraw/zinc/19/18/07/791191807.db2.gz GZOZLFVLRVEADE-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028725 791191806 /nfs/dbraw/zinc/19/18/06/791191806.db2.gz GZOZLFVLRVEADE-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028725 791191802 /nfs/dbraw/zinc/19/18/02/791191802.db2.gz GZOZLFVLRVEADE-IJLUTSLNSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028907 791191760 /nfs/dbraw/zinc/19/17/60/791191760.db2.gz LRTBOYUXNMRPTH-FRRDWIJNSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028907 791191758 /nfs/dbraw/zinc/19/17/58/791191758.db2.gz LRTBOYUXNMRPTH-FRRDWIJNSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028907 791191756 /nfs/dbraw/zinc/19/17/56/791191756.db2.gz LRTBOYUXNMRPTH-FRRDWIJNSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028907 791191754 /nfs/dbraw/zinc/19/17/54/791191754.db2.gz LRTBOYUXNMRPTH-FRRDWIJNSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028908 791191776 /nfs/dbraw/zinc/19/17/76/791191776.db2.gz LRTBOYUXNMRPTH-JHJVBQTASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028908 791191774 /nfs/dbraw/zinc/19/17/74/791191774.db2.gz LRTBOYUXNMRPTH-JHJVBQTASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028908 791191771 /nfs/dbraw/zinc/19/17/71/791191771.db2.gz LRTBOYUXNMRPTH-JHJVBQTASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001198028908 791191769 /nfs/dbraw/zinc/19/17/69/791191769.db2.gz LRTBOYUXNMRPTH-JHJVBQTASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037899 791192993 /nfs/dbraw/zinc/19/29/93/791192993.db2.gz AECFZOIKXYVQAW-IJLUTSLNSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037899 791192984 /nfs/dbraw/zinc/19/29/84/791192984.db2.gz AECFZOIKXYVQAW-IJLUTSLNSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037899 791192977 /nfs/dbraw/zinc/19/29/77/791192977.db2.gz AECFZOIKXYVQAW-IJLUTSLNSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037899 791192971 /nfs/dbraw/zinc/19/29/71/791192971.db2.gz AECFZOIKXYVQAW-IJLUTSLNSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037900 791193212 /nfs/dbraw/zinc/19/32/12/791193212.db2.gz AECFZOIKXYVQAW-QJPTWQEYSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037900 791193203 /nfs/dbraw/zinc/19/32/03/791193203.db2.gz AECFZOIKXYVQAW-QJPTWQEYSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037900 791193195 /nfs/dbraw/zinc/19/31/95/791193195.db2.gz AECFZOIKXYVQAW-QJPTWQEYSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198037900 791193189 /nfs/dbraw/zinc/19/31/89/791193189.db2.gz AECFZOIKXYVQAW-QJPTWQEYSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198046393 791190357 /nfs/dbraw/zinc/19/03/57/791190357.db2.gz CCAPJFGWJMVOMY-VXGBXAGGSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198046393 791190353 /nfs/dbraw/zinc/19/03/53/791190353.db2.gz CCAPJFGWJMVOMY-VXGBXAGGSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198046393 791190350 /nfs/dbraw/zinc/19/03/50/791190350.db2.gz CCAPJFGWJMVOMY-VXGBXAGGSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001198046393 791190348 /nfs/dbraw/zinc/19/03/48/791190348.db2.gz CCAPJFGWJMVOMY-VXGBXAGGSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046896 791190610 /nfs/dbraw/zinc/19/06/10/791190610.db2.gz IHMCAHUAOACFHK-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046896 791190607 /nfs/dbraw/zinc/19/06/07/791190607.db2.gz IHMCAHUAOACFHK-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046896 791190604 /nfs/dbraw/zinc/19/06/04/791190604.db2.gz IHMCAHUAOACFHK-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046896 791190601 /nfs/dbraw/zinc/19/06/01/791190601.db2.gz IHMCAHUAOACFHK-GMTAPVOTSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046904 791190017 /nfs/dbraw/zinc/19/00/17/791190017.db2.gz IHMCAHUAOACFHK-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046904 791190010 /nfs/dbraw/zinc/19/00/10/791190010.db2.gz IHMCAHUAOACFHK-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046904 791190002 /nfs/dbraw/zinc/19/00/02/791190002.db2.gz IHMCAHUAOACFHK-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001198046904 791189991 /nfs/dbraw/zinc/18/99/91/791189991.db2.gz IHMCAHUAOACFHK-HBNTYKKESA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198048035 791190474 /nfs/dbraw/zinc/19/04/74/791190474.db2.gz REGGGCZHPLMENU-CHWSQXEVSA-N 2 2 340.424 -1.362 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198048035 791190471 /nfs/dbraw/zinc/19/04/71/791190471.db2.gz REGGGCZHPLMENU-CHWSQXEVSA-N 2 2 340.424 -1.362 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198048035 791190467 /nfs/dbraw/zinc/19/04/67/791190467.db2.gz REGGGCZHPLMENU-CHWSQXEVSA-N 2 2 340.424 -1.362 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198048035 791190465 /nfs/dbraw/zinc/19/04/65/791190465.db2.gz REGGGCZHPLMENU-CHWSQXEVSA-N 2 2 340.424 -1.362 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198098539 791194955 /nfs/dbraw/zinc/19/49/55/791194955.db2.gz ZKVUYVBFMRBINQ-GFCCVEGCSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198098539 791194953 /nfs/dbraw/zinc/19/49/53/791194953.db2.gz ZKVUYVBFMRBINQ-GFCCVEGCSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198098539 791194951 /nfs/dbraw/zinc/19/49/51/791194951.db2.gz ZKVUYVBFMRBINQ-GFCCVEGCSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198098539 791194941 /nfs/dbraw/zinc/19/49/41/791194941.db2.gz ZKVUYVBFMRBINQ-GFCCVEGCSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198098540 791195027 /nfs/dbraw/zinc/19/50/27/791195027.db2.gz ZKVUYVBFMRBINQ-LBPRGKRZSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198098540 791195025 /nfs/dbraw/zinc/19/50/25/791195025.db2.gz ZKVUYVBFMRBINQ-LBPRGKRZSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198098540 791195023 /nfs/dbraw/zinc/19/50/23/791195023.db2.gz ZKVUYVBFMRBINQ-LBPRGKRZSA-N 2 2 325.413 -1.072 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198098540 791195021 /nfs/dbraw/zinc/19/50/21/791195021.db2.gz ZKVUYVBFMRBINQ-LBPRGKRZSA-N 2 2 325.413 -1.072 20 0 EAADLP C[NH+]1CCN(c2cnccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001198158161 791196490 /nfs/dbraw/zinc/19/64/90/791196490.db2.gz VOUXCLWPPRKPMQ-ILXRZTDVSA-N 2 2 346.439 -2.034 20 0 EAADLP C[NH+]1CCN(c2cnccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001198158170 791196259 /nfs/dbraw/zinc/19/62/59/791196259.db2.gz VOUXCLWPPRKPMQ-KKUMJFAQSA-N 2 2 346.439 -2.034 20 0 EAADLP C[NH+]1CCN(c2cnccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001198158171 791196889 /nfs/dbraw/zinc/19/68/89/791196889.db2.gz VOUXCLWPPRKPMQ-QLFBSQMISA-N 2 2 346.439 -2.034 20 0 EAADLP C[NH+]1CCN(c2cnccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001198158172 791196104 /nfs/dbraw/zinc/19/61/04/791196104.db2.gz VOUXCLWPPRKPMQ-SOUVJXGZSA-N 2 2 346.439 -2.034 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198276939 791205248 /nfs/dbraw/zinc/20/52/48/791205248.db2.gz YIMXLGJFOILHIU-ZIAGYGMSSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198276939 791205245 /nfs/dbraw/zinc/20/52/45/791205245.db2.gz YIMXLGJFOILHIU-ZIAGYGMSSA-N 2 2 326.397 -1.477 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198293272 791206471 /nfs/dbraw/zinc/20/64/71/791206471.db2.gz ZEJSKHDRZIKHNR-BFHYXJOUSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198293272 791206461 /nfs/dbraw/zinc/20/64/61/791206461.db2.gz ZEJSKHDRZIKHNR-BFHYXJOUSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198293328 791207071 /nfs/dbraw/zinc/20/70/71/791207071.db2.gz ZEJSKHDRZIKHNR-MGPQQGTHSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198293328 791207059 /nfs/dbraw/zinc/20/70/59/791207059.db2.gz ZEJSKHDRZIKHNR-MGPQQGTHSA-N 2 2 326.397 -1.479 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198652724 791223833 /nfs/dbraw/zinc/22/38/33/791223833.db2.gz AFAYBHSMWWQFRX-BFHYXJOUSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198652724 791223827 /nfs/dbraw/zinc/22/38/27/791223827.db2.gz AFAYBHSMWWQFRX-BFHYXJOUSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198652724 791223817 /nfs/dbraw/zinc/22/38/17/791223817.db2.gz AFAYBHSMWWQFRX-BFHYXJOUSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198652724 791223810 /nfs/dbraw/zinc/22/38/10/791223810.db2.gz AFAYBHSMWWQFRX-BFHYXJOUSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198652725 791225244 /nfs/dbraw/zinc/22/52/44/791225244.db2.gz AFAYBHSMWWQFRX-MGPQQGTHSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198652725 791225233 /nfs/dbraw/zinc/22/52/33/791225233.db2.gz AFAYBHSMWWQFRX-MGPQQGTHSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652725 791225223 /nfs/dbraw/zinc/22/52/23/791225223.db2.gz AFAYBHSMWWQFRX-MGPQQGTHSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652725 791225212 /nfs/dbraw/zinc/22/52/12/791225212.db2.gz AFAYBHSMWWQFRX-MGPQQGTHSA-N 2 2 341.456 -1.193 20 0 EAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001198653069 791223784 /nfs/dbraw/zinc/22/37/84/791223784.db2.gz GSGYUJWBFUQIKO-JHJVBQTASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001198653069 791223775 /nfs/dbraw/zinc/22/37/75/791223775.db2.gz GSGYUJWBFUQIKO-JHJVBQTASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001198653069 791223770 /nfs/dbraw/zinc/22/37/70/791223770.db2.gz GSGYUJWBFUQIKO-JHJVBQTASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001198653069 791223762 /nfs/dbraw/zinc/22/37/62/791223762.db2.gz GSGYUJWBFUQIKO-JHJVBQTASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001198653073 791223679 /nfs/dbraw/zinc/22/36/79/791223679.db2.gz GSGYUJWBFUQIKO-YNEHKIRRSA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001198653073 791223668 /nfs/dbraw/zinc/22/36/68/791223668.db2.gz GSGYUJWBFUQIKO-YNEHKIRRSA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001198653073 791223658 /nfs/dbraw/zinc/22/36/58/791223658.db2.gz GSGYUJWBFUQIKO-YNEHKIRRSA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001198653073 791223647 /nfs/dbraw/zinc/22/36/47/791223647.db2.gz GSGYUJWBFUQIKO-YNEHKIRRSA-N 2 2 348.469 -2.009 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198653103 791224611 /nfs/dbraw/zinc/22/46/11/791224611.db2.gz HVHCCCIVZWERFA-BFHYXJOUSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198653103 791224605 /nfs/dbraw/zinc/22/46/05/791224605.db2.gz HVHCCCIVZWERFA-BFHYXJOUSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653103 791224592 /nfs/dbraw/zinc/22/45/92/791224592.db2.gz HVHCCCIVZWERFA-BFHYXJOUSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653103 791224583 /nfs/dbraw/zinc/22/45/83/791224583.db2.gz HVHCCCIVZWERFA-BFHYXJOUSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198653104 791223622 /nfs/dbraw/zinc/22/36/22/791223622.db2.gz HVHCCCIVZWERFA-MGPQQGTHSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198653104 791223611 /nfs/dbraw/zinc/22/36/11/791223611.db2.gz HVHCCCIVZWERFA-MGPQQGTHSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653104 791223603 /nfs/dbraw/zinc/22/36/03/791223603.db2.gz HVHCCCIVZWERFA-MGPQQGTHSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653104 791223594 /nfs/dbraw/zinc/22/35/94/791223594.db2.gz HVHCCCIVZWERFA-MGPQQGTHSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198653615 791225679 /nfs/dbraw/zinc/22/56/79/791225679.db2.gz KVINUCUVMXJRTH-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198653615 791225672 /nfs/dbraw/zinc/22/56/72/791225672.db2.gz KVINUCUVMXJRTH-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653615 791225664 /nfs/dbraw/zinc/22/56/64/791225664.db2.gz KVINUCUVMXJRTH-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653615 791225656 /nfs/dbraw/zinc/22/56/56/791225656.db2.gz KVINUCUVMXJRTH-BFHYXJOUSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198653616 791226190 /nfs/dbraw/zinc/22/61/90/791226190.db2.gz KVINUCUVMXJRTH-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198653616 791226179 /nfs/dbraw/zinc/22/61/79/791226179.db2.gz KVINUCUVMXJRTH-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653616 791226171 /nfs/dbraw/zinc/22/61/71/791226171.db2.gz KVINUCUVMXJRTH-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653616 791226162 /nfs/dbraw/zinc/22/61/62/791226162.db2.gz KVINUCUVMXJRTH-MGPQQGTHSA-N 2 2 326.441 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654860 791226871 /nfs/dbraw/zinc/22/68/71/791226871.db2.gz WYSMJNKVSRITIU-RBSFLKMASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198654860 791226865 /nfs/dbraw/zinc/22/68/65/791226865.db2.gz WYSMJNKVSRITIU-RBSFLKMASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198654860 791226856 /nfs/dbraw/zinc/22/68/56/791226856.db2.gz WYSMJNKVSRITIU-RBSFLKMASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198654860 791226850 /nfs/dbraw/zinc/22/68/50/791226850.db2.gz WYSMJNKVSRITIU-RBSFLKMASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654861 791227513 /nfs/dbraw/zinc/22/75/13/791227513.db2.gz WYSMJNKVSRITIU-RRFJBIMHSA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198654861 791227509 /nfs/dbraw/zinc/22/75/09/791227509.db2.gz WYSMJNKVSRITIU-RRFJBIMHSA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198654861 791227500 /nfs/dbraw/zinc/22/75/00/791227500.db2.gz WYSMJNKVSRITIU-RRFJBIMHSA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198654861 791227488 /nfs/dbraw/zinc/22/74/88/791227488.db2.gz WYSMJNKVSRITIU-RRFJBIMHSA-N 2 2 338.452 -1.032 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662753 791226379 /nfs/dbraw/zinc/22/63/79/791226379.db2.gz UCNDMBNVYSBAEG-IJLUTSLNSA-N 2 2 334.442 -2.351 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662753 791226367 /nfs/dbraw/zinc/22/63/67/791226367.db2.gz UCNDMBNVYSBAEG-IJLUTSLNSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662753 791226355 /nfs/dbraw/zinc/22/63/55/791226355.db2.gz UCNDMBNVYSBAEG-IJLUTSLNSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662753 791226349 /nfs/dbraw/zinc/22/63/49/791226349.db2.gz UCNDMBNVYSBAEG-IJLUTSLNSA-N 2 2 334.442 -2.351 20 0 EAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662754 791225519 /nfs/dbraw/zinc/22/55/19/791225519.db2.gz UCNDMBNVYSBAEG-QJPTWQEYSA-N 2 2 334.442 -2.351 20 0 EAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662754 791225516 /nfs/dbraw/zinc/22/55/16/791225516.db2.gz UCNDMBNVYSBAEG-QJPTWQEYSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662754 791225512 /nfs/dbraw/zinc/22/55/12/791225512.db2.gz UCNDMBNVYSBAEG-QJPTWQEYSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)C1 ZINC001198662754 791225503 /nfs/dbraw/zinc/22/55/03/791225503.db2.gz UCNDMBNVYSBAEG-QJPTWQEYSA-N 2 2 334.442 -2.351 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001198671615 791226430 /nfs/dbraw/zinc/22/64/30/791226430.db2.gz HIXMVJNEMGYUAI-ZIAGYGMSSA-N 2 2 335.408 -1.121 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001198671615 791226418 /nfs/dbraw/zinc/22/64/18/791226418.db2.gz HIXMVJNEMGYUAI-ZIAGYGMSSA-N 2 2 335.408 -1.121 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672321 791225873 /nfs/dbraw/zinc/22/58/73/791225873.db2.gz MQZYBXDCWPOVBX-ZIAGYGMSSA-N 2 2 341.456 -1.049 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672321 791225862 /nfs/dbraw/zinc/22/58/62/791225862.db2.gz MQZYBXDCWPOVBX-ZIAGYGMSSA-N 2 2 341.456 -1.049 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672677 791226216 /nfs/dbraw/zinc/22/62/16/791226216.db2.gz PSPFDIKHZWCQRR-HUUCEWRRSA-N 2 2 342.440 -1.604 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672677 791226199 /nfs/dbraw/zinc/22/61/99/791226199.db2.gz PSPFDIKHZWCQRR-HUUCEWRRSA-N 2 2 342.440 -1.604 20 0 EAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672749 791228214 /nfs/dbraw/zinc/22/82/14/791228214.db2.gz SAGNDGGKOXAHSM-RBSFLKMASA-N 2 2 345.440 -1.733 20 0 EAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672749 791228202 /nfs/dbraw/zinc/22/82/02/791228202.db2.gz SAGNDGGKOXAHSM-RBSFLKMASA-N 2 2 345.440 -1.733 20 0 EAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672756 791229238 /nfs/dbraw/zinc/22/92/38/791229238.db2.gz SAGNDGGKOXAHSM-RRFJBIMHSA-N 2 2 345.440 -1.733 20 0 EAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672756 791229227 /nfs/dbraw/zinc/22/92/27/791229227.db2.gz SAGNDGGKOXAHSM-RRFJBIMHSA-N 2 2 345.440 -1.733 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198699095 791227131 /nfs/dbraw/zinc/22/71/31/791227131.db2.gz ITQQXYJDKQVKQW-RBSFLKMASA-N 2 2 345.440 -1.875 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198699095 791227121 /nfs/dbraw/zinc/22/71/21/791227121.db2.gz ITQQXYJDKQVKQW-RBSFLKMASA-N 2 2 345.440 -1.875 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198699096 791226065 /nfs/dbraw/zinc/22/60/65/791226065.db2.gz ITQQXYJDKQVKQW-RRFJBIMHSA-N 2 2 345.440 -1.875 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198699096 791226049 /nfs/dbraw/zinc/22/60/49/791226049.db2.gz ITQQXYJDKQVKQW-RRFJBIMHSA-N 2 2 345.440 -1.875 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001198848033 791238676 /nfs/dbraw/zinc/23/86/76/791238676.db2.gz IARLCXWPFKQPBQ-MCIONIFRSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001198848033 791238670 /nfs/dbraw/zinc/23/86/70/791238670.db2.gz IARLCXWPFKQPBQ-MCIONIFRSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198848033 791238659 /nfs/dbraw/zinc/23/86/59/791238659.db2.gz IARLCXWPFKQPBQ-MCIONIFRSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198848033 791238649 /nfs/dbraw/zinc/23/86/49/791238649.db2.gz IARLCXWPFKQPBQ-MCIONIFRSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001198848034 791240368 /nfs/dbraw/zinc/24/03/68/791240368.db2.gz IARLCXWPFKQPBQ-MGPQQGTHSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001198848034 791240360 /nfs/dbraw/zinc/24/03/60/791240360.db2.gz IARLCXWPFKQPBQ-MGPQQGTHSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198848034 791240352 /nfs/dbraw/zinc/24/03/52/791240352.db2.gz IARLCXWPFKQPBQ-MGPQQGTHSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198848034 791240343 /nfs/dbraw/zinc/24/03/43/791240343.db2.gz IARLCXWPFKQPBQ-MGPQQGTHSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2O)C1 ZINC001198848741 791240175 /nfs/dbraw/zinc/24/01/75/791240175.db2.gz UEDJSAXOPILADZ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2O)C1 ZINC001198848741 791240171 /nfs/dbraw/zinc/24/01/71/791240171.db2.gz UEDJSAXOPILADZ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001198848741 791240166 /nfs/dbraw/zinc/24/01/66/791240166.db2.gz UEDJSAXOPILADZ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001198848741 791240161 /nfs/dbraw/zinc/24/01/61/791240161.db2.gz UEDJSAXOPILADZ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2O)C1 ZINC001198848742 791240004 /nfs/dbraw/zinc/24/00/04/791240004.db2.gz UEDJSAXOPILADZ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2O)C1 ZINC001198848742 791239999 /nfs/dbraw/zinc/23/99/99/791239999.db2.gz UEDJSAXOPILADZ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001198848742 791239994 /nfs/dbraw/zinc/23/99/94/791239994.db2.gz UEDJSAXOPILADZ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2O)C1 ZINC001198848742 791239988 /nfs/dbraw/zinc/23/99/88/791239988.db2.gz UEDJSAXOPILADZ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001199103625 791252888 /nfs/dbraw/zinc/25/28/88/791252888.db2.gz AZRUDFRJOWEFNY-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001199103625 791252877 /nfs/dbraw/zinc/25/28/77/791252877.db2.gz AZRUDFRJOWEFNY-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001199103625 791252870 /nfs/dbraw/zinc/25/28/70/791252870.db2.gz AZRUDFRJOWEFNY-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001199103625 791252859 /nfs/dbraw/zinc/25/28/59/791252859.db2.gz AZRUDFRJOWEFNY-ZIAGYGMSSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104002 791254901 /nfs/dbraw/zinc/25/49/01/791254901.db2.gz ICOMXYWKVIAGNW-GMTAPVOTSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104002 791254894 /nfs/dbraw/zinc/25/48/94/791254894.db2.gz ICOMXYWKVIAGNW-GMTAPVOTSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104002 791254887 /nfs/dbraw/zinc/25/48/87/791254887.db2.gz ICOMXYWKVIAGNW-GMTAPVOTSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104002 791254879 /nfs/dbraw/zinc/25/48/79/791254879.db2.gz ICOMXYWKVIAGNW-GMTAPVOTSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104003 791254624 /nfs/dbraw/zinc/25/46/24/791254624.db2.gz ICOMXYWKVIAGNW-HBNTYKKESA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104003 791254623 /nfs/dbraw/zinc/25/46/23/791254623.db2.gz ICOMXYWKVIAGNW-HBNTYKKESA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104003 791254613 /nfs/dbraw/zinc/25/46/13/791254613.db2.gz ICOMXYWKVIAGNW-HBNTYKKESA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1O ZINC001199104003 791254603 /nfs/dbraw/zinc/25/46/03/791254603.db2.gz ICOMXYWKVIAGNW-HBNTYKKESA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001199104678 791255630 /nfs/dbraw/zinc/25/56/30/791255630.db2.gz RQKVGJRBQWRMCQ-CHWSQXEVSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001199104678 791255625 /nfs/dbraw/zinc/25/56/25/791255625.db2.gz RQKVGJRBQWRMCQ-CHWSQXEVSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001199104678 791255615 /nfs/dbraw/zinc/25/56/15/791255615.db2.gz RQKVGJRBQWRMCQ-CHWSQXEVSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001199104678 791255604 /nfs/dbraw/zinc/25/56/04/791255604.db2.gz RQKVGJRBQWRMCQ-CHWSQXEVSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111689 791256747 /nfs/dbraw/zinc/25/67/47/791256747.db2.gz HOUFRXAEUVNQHB-GRYCIOLGSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111689 791256741 /nfs/dbraw/zinc/25/67/41/791256741.db2.gz HOUFRXAEUVNQHB-GRYCIOLGSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111689 791256734 /nfs/dbraw/zinc/25/67/34/791256734.db2.gz HOUFRXAEUVNQHB-GRYCIOLGSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111689 791256729 /nfs/dbraw/zinc/25/67/29/791256729.db2.gz HOUFRXAEUVNQHB-GRYCIOLGSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111690 791257782 /nfs/dbraw/zinc/25/77/82/791257782.db2.gz HOUFRXAEUVNQHB-IJLUTSLNSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111690 791257773 /nfs/dbraw/zinc/25/77/73/791257773.db2.gz HOUFRXAEUVNQHB-IJLUTSLNSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111690 791257766 /nfs/dbraw/zinc/25/77/66/791257766.db2.gz HOUFRXAEUVNQHB-IJLUTSLNSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199111690 791257760 /nfs/dbraw/zinc/25/77/60/791257760.db2.gz HOUFRXAEUVNQHB-IJLUTSLNSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111889 791257550 /nfs/dbraw/zinc/25/75/50/791257550.db2.gz QTWURGBUJRGZBF-VXGBXAGGSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111889 791257545 /nfs/dbraw/zinc/25/75/45/791257545.db2.gz QTWURGBUJRGZBF-VXGBXAGGSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111889 791257536 /nfs/dbraw/zinc/25/75/36/791257536.db2.gz QTWURGBUJRGZBF-VXGBXAGGSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001199111889 791257528 /nfs/dbraw/zinc/25/75/28/791257528.db2.gz QTWURGBUJRGZBF-VXGBXAGGSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001199111899 791257459 /nfs/dbraw/zinc/25/74/59/791257459.db2.gz REXWTGJWHIGKTI-CHWSQXEVSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001199111899 791257449 /nfs/dbraw/zinc/25/74/49/791257449.db2.gz REXWTGJWHIGKTI-CHWSQXEVSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001199111899 791257440 /nfs/dbraw/zinc/25/74/40/791257440.db2.gz REXWTGJWHIGKTI-CHWSQXEVSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001199111899 791257433 /nfs/dbraw/zinc/25/74/33/791257433.db2.gz REXWTGJWHIGKTI-CHWSQXEVSA-N 2 2 327.429 -1.487 20 0 EAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199353997 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CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330429 793840850 /nfs/dbraw/zinc/84/08/50/793840850.db2.gz XWXNSKJSZWHIGW-VXGBXAGGSA-N 2 2 337.424 -1.026 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330429 793840842 /nfs/dbraw/zinc/84/08/42/793840842.db2.gz XWXNSKJSZWHIGW-VXGBXAGGSA-N 2 2 337.424 -1.026 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210668647 793843560 /nfs/dbraw/zinc/84/35/60/793843560.db2.gz OLMGGZJWGXMQAB-LLVKDONJSA-N 2 2 336.396 -1.001 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210668648 793845134 /nfs/dbraw/zinc/84/51/34/793845134.db2.gz OLMGGZJWGXMQAB-NSHDSACASA-N 2 2 336.396 -1.001 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031722 793860246 /nfs/dbraw/zinc/86/02/46/793860246.db2.gz MBSCCKPLXQEEFI-VXGBXAGGSA-N 2 2 325.413 -1.026 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031722 793860238 /nfs/dbraw/zinc/86/02/38/793860238.db2.gz MBSCCKPLXQEEFI-VXGBXAGGSA-N 2 2 325.413 -1.026 20 0 EAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001212071075 785793663 /nfs/dbraw/zinc/79/36/63/785793663.db2.gz GLPUFTIVGKUGBR-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001212071075 785793658 /nfs/dbraw/zinc/79/36/58/785793658.db2.gz GLPUFTIVGKUGBR-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001212071075 785793650 /nfs/dbraw/zinc/79/36/50/785793650.db2.gz GLPUFTIVGKUGBR-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001212071075 785793646 /nfs/dbraw/zinc/79/36/46/785793646.db2.gz GLPUFTIVGKUGBR-MCIONIFRSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001212071076 785792747 /nfs/dbraw/zinc/79/27/47/785792747.db2.gz GLPUFTIVGKUGBR-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001212071076 785792744 /nfs/dbraw/zinc/79/27/44/785792744.db2.gz GLPUFTIVGKUGBR-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001212071076 785792739 /nfs/dbraw/zinc/79/27/39/785792739.db2.gz GLPUFTIVGKUGBR-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001212071076 785792733 /nfs/dbraw/zinc/79/27/33/785792733.db2.gz GLPUFTIVGKUGBR-MGPQQGTHSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001212071435 785794498 /nfs/dbraw/zinc/79/44/98/785794498.db2.gz QDHZVSKWVBQQKZ-KFWWJZLASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001212071435 785794491 /nfs/dbraw/zinc/79/44/91/785794491.db2.gz QDHZVSKWVBQQKZ-KFWWJZLASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212071435 785794487 /nfs/dbraw/zinc/79/44/87/785794487.db2.gz QDHZVSKWVBQQKZ-KFWWJZLASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212071435 785794482 /nfs/dbraw/zinc/79/44/82/785794482.db2.gz QDHZVSKWVBQQKZ-KFWWJZLASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001212071436 785795900 /nfs/dbraw/zinc/79/59/00/785795900.db2.gz QDHZVSKWVBQQKZ-RBSFLKMASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001212071436 785795894 /nfs/dbraw/zinc/79/58/94/785795894.db2.gz QDHZVSKWVBQQKZ-RBSFLKMASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212071436 785795891 /nfs/dbraw/zinc/79/58/91/785795891.db2.gz QDHZVSKWVBQQKZ-RBSFLKMASA-N 2 2 345.440 -1.205 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212071436 785795884 /nfs/dbraw/zinc/79/58/84/785795884.db2.gz QDHZVSKWVBQQKZ-RBSFLKMASA-N 2 2 345.440 -1.205 20 0 EAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406510 786132875 /nfs/dbraw/zinc/13/28/75/786132875.db2.gz WMHFTNLHZPOMKY-HZSPNIEDSA-N 2 2 325.413 -1.379 20 0 EAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406510 786132872 /nfs/dbraw/zinc/13/28/72/786132872.db2.gz WMHFTNLHZPOMKY-HZSPNIEDSA-N 2 2 325.413 -1.379 20 0 EAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406511 786132209 /nfs/dbraw/zinc/13/22/09/786132209.db2.gz WMHFTNLHZPOMKY-MGPQQGTHSA-N 2 2 325.413 -1.379 20 0 EAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406511 786132205 /nfs/dbraw/zinc/13/22/05/786132205.db2.gz WMHFTNLHZPOMKY-MGPQQGTHSA-N 2 2 325.413 -1.379 20 0 EAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212451473 786156464 /nfs/dbraw/zinc/15/64/64/786156464.db2.gz XXHYPFZBMWNXGN-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212451473 786156460 /nfs/dbraw/zinc/15/64/60/786156460.db2.gz XXHYPFZBMWNXGN-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451473 786156455 /nfs/dbraw/zinc/15/64/55/786156455.db2.gz XXHYPFZBMWNXGN-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451473 786156448 /nfs/dbraw/zinc/15/64/48/786156448.db2.gz XXHYPFZBMWNXGN-KBUPBQIOSA-N 2 2 345.440 -1.470 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346310 793883763 /nfs/dbraw/zinc/88/37/63/793883763.db2.gz HENYCXRLPMIJBW-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346310 793883750 /nfs/dbraw/zinc/88/37/50/793883750.db2.gz HENYCXRLPMIJBW-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346311 785141497 /nfs/dbraw/zinc/14/14/97/785141497.db2.gz HENYCXRLPMIJBW-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346311 785141492 /nfs/dbraw/zinc/14/14/92/785141492.db2.gz HENYCXRLPMIJBW-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347843 793884580 /nfs/dbraw/zinc/88/45/80/793884580.db2.gz ASQHULHKFWQBTM-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347843 793884575 /nfs/dbraw/zinc/88/45/75/793884575.db2.gz ASQHULHKFWQBTM-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347844 793885208 /nfs/dbraw/zinc/88/52/08/793885208.db2.gz ASQHULHKFWQBTM-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347844 793885198 /nfs/dbraw/zinc/88/51/98/793885198.db2.gz ASQHULHKFWQBTM-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374548 793888218 /nfs/dbraw/zinc/88/82/18/793888218.db2.gz LSHHBPDHEXTAJN-GMTAPVOTSA-N 2 2 329.401 -1.663 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374548 793888211 /nfs/dbraw/zinc/88/82/11/793888211.db2.gz LSHHBPDHEXTAJN-GMTAPVOTSA-N 2 2 329.401 -1.663 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374549 793888029 /nfs/dbraw/zinc/88/80/29/793888029.db2.gz LSHHBPDHEXTAJN-HBNTYKKESA-N 2 2 329.401 -1.663 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374549 793888024 /nfs/dbraw/zinc/88/80/24/793888024.db2.gz LSHHBPDHEXTAJN-HBNTYKKESA-N 2 2 329.401 -1.663 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374735 793887640 /nfs/dbraw/zinc/88/76/40/793887640.db2.gz VIANOVVVCNZOCH-IJLUTSLNSA-N 2 2 343.428 -1.402 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374735 793887634 /nfs/dbraw/zinc/88/76/34/793887634.db2.gz VIANOVVVCNZOCH-IJLUTSLNSA-N 2 2 343.428 -1.402 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374736 793887963 /nfs/dbraw/zinc/88/79/63/793887963.db2.gz VIANOVVVCNZOCH-QJPTWQEYSA-N 2 2 343.428 -1.402 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374736 793887958 /nfs/dbraw/zinc/88/79/58/793887958.db2.gz VIANOVVVCNZOCH-QJPTWQEYSA-N 2 2 343.428 -1.402 20 0 EAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377016 793888770 /nfs/dbraw/zinc/88/87/70/793888770.db2.gz UBSFFLLVVPECTE-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377016 793888763 /nfs/dbraw/zinc/88/87/63/793888763.db2.gz UBSFFLLVVPECTE-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP COCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213377117 793887992 /nfs/dbraw/zinc/88/79/92/793887992.db2.gz YPFNCGSXNXDRBW-ZIAGYGMSSA-N 2 2 344.456 -1.094 20 0 EAADLP COCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213377117 793887979 /nfs/dbraw/zinc/88/79/79/793887979.db2.gz YPFNCGSXNXDRBW-ZIAGYGMSSA-N 2 2 344.456 -1.094 20 0 EAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378281 793889028 /nfs/dbraw/zinc/88/90/28/793889028.db2.gz KDXROYIHQLKWES-VXGBXAGGSA-N 2 2 336.458 -1.697 20 0 EAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378281 793889022 /nfs/dbraw/zinc/88/90/22/793889022.db2.gz KDXROYIHQLKWES-VXGBXAGGSA-N 2 2 336.458 -1.697 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378383 793887741 /nfs/dbraw/zinc/88/77/41/793887741.db2.gz OTEKERPDTUUVAK-GRYCIOLGSA-N 2 2 326.397 -1.441 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378383 793887737 /nfs/dbraw/zinc/88/77/37/793887737.db2.gz OTEKERPDTUUVAK-GRYCIOLGSA-N 2 2 326.397 -1.441 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378384 793887508 /nfs/dbraw/zinc/88/75/08/793887508.db2.gz OTEKERPDTUUVAK-IJLUTSLNSA-N 2 2 326.397 -1.441 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378384 793887504 /nfs/dbraw/zinc/88/75/04/793887504.db2.gz OTEKERPDTUUVAK-IJLUTSLNSA-N 2 2 326.397 -1.441 20 0 EAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581224 793900327 /nfs/dbraw/zinc/90/03/27/793900327.db2.gz RNQYCNDNZIQEGI-HUUCEWRRSA-N 2 2 345.440 -1.467 20 0 EAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581224 793900322 /nfs/dbraw/zinc/90/03/22/793900322.db2.gz RNQYCNDNZIQEGI-HUUCEWRRSA-N 2 2 345.440 -1.467 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213596646 793903619 /nfs/dbraw/zinc/90/36/19/793903619.db2.gz JIWXNJUEACSIAY-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213596646 793903616 /nfs/dbraw/zinc/90/36/16/793903616.db2.gz JIWXNJUEACSIAY-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213596647 793902702 /nfs/dbraw/zinc/90/27/02/793902702.db2.gz JIWXNJUEACSIAY-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213596647 793902699 /nfs/dbraw/zinc/90/26/99/793902699.db2.gz JIWXNJUEACSIAY-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213598781 793902868 /nfs/dbraw/zinc/90/28/68/793902868.db2.gz NEJBHGUKBCESLX-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213598781 793902861 /nfs/dbraw/zinc/90/28/61/793902861.db2.gz NEJBHGUKBCESLX-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213598783 793902599 /nfs/dbraw/zinc/90/25/99/793902599.db2.gz NEJBHGUKBCESLX-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213598783 793902597 /nfs/dbraw/zinc/90/25/97/793902597.db2.gz NEJBHGUKBCESLX-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638141 793905169 /nfs/dbraw/zinc/90/51/69/793905169.db2.gz AIECPQLOYYHDDG-IACUBPJLSA-N 2 2 342.440 -1.214 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638141 793905167 /nfs/dbraw/zinc/90/51/67/793905167.db2.gz AIECPQLOYYHDDG-IACUBPJLSA-N 2 2 342.440 -1.214 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638142 793905365 /nfs/dbraw/zinc/90/53/65/793905365.db2.gz AIECPQLOYYHDDG-MRVWCRGKSA-N 2 2 342.440 -1.214 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638142 793905360 /nfs/dbraw/zinc/90/53/60/793905360.db2.gz AIECPQLOYYHDDG-MRVWCRGKSA-N 2 2 342.440 -1.214 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671672 793908177 /nfs/dbraw/zinc/90/81/77/793908177.db2.gz PXGPHNOXMNXHHL-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671672 793908175 /nfs/dbraw/zinc/90/81/75/793908175.db2.gz PXGPHNOXMNXHHL-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671672 793908173 /nfs/dbraw/zinc/90/81/73/793908173.db2.gz PXGPHNOXMNXHHL-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671672 793908169 /nfs/dbraw/zinc/90/81/69/793908169.db2.gz PXGPHNOXMNXHHL-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671674 793908116 /nfs/dbraw/zinc/90/81/16/793908116.db2.gz PXGPHNOXMNXHHL-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671674 793908115 /nfs/dbraw/zinc/90/81/15/793908115.db2.gz PXGPHNOXMNXHHL-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671674 793908114 /nfs/dbraw/zinc/90/81/14/793908114.db2.gz PXGPHNOXMNXHHL-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213671674 793908112 /nfs/dbraw/zinc/90/81/12/793908112.db2.gz PXGPHNOXMNXHHL-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678300 793908068 /nfs/dbraw/zinc/90/80/68/793908068.db2.gz OARMAYFBLWKTHV-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678300 793908066 /nfs/dbraw/zinc/90/80/66/793908066.db2.gz OARMAYFBLWKTHV-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678300 793908064 /nfs/dbraw/zinc/90/80/64/793908064.db2.gz OARMAYFBLWKTHV-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678300 793908062 /nfs/dbraw/zinc/90/80/62/793908062.db2.gz OARMAYFBLWKTHV-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678301 793907641 /nfs/dbraw/zinc/90/76/41/793907641.db2.gz OARMAYFBLWKTHV-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678301 793907633 /nfs/dbraw/zinc/90/76/33/793907633.db2.gz OARMAYFBLWKTHV-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678301 793907627 /nfs/dbraw/zinc/90/76/27/793907627.db2.gz OARMAYFBLWKTHV-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213678301 793907620 /nfs/dbraw/zinc/90/76/20/793907620.db2.gz OARMAYFBLWKTHV-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213718938 793909444 /nfs/dbraw/zinc/90/94/44/793909444.db2.gz HGAUFTCDDNABGF-ZIAGYGMSSA-N 2 2 344.456 -1.142 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213718938 793909440 /nfs/dbraw/zinc/90/94/40/793909440.db2.gz HGAUFTCDDNABGF-ZIAGYGMSSA-N 2 2 344.456 -1.142 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719038 793910238 /nfs/dbraw/zinc/91/02/38/793910238.db2.gz KSZQTNZDTIPLBD-BFHYXJOUSA-N 2 2 326.397 -1.215 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719038 793910231 /nfs/dbraw/zinc/91/02/31/793910231.db2.gz KSZQTNZDTIPLBD-BFHYXJOUSA-N 2 2 326.397 -1.215 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719039 793909180 /nfs/dbraw/zinc/90/91/80/793909180.db2.gz KSZQTNZDTIPLBD-MGPQQGTHSA-N 2 2 326.397 -1.215 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719039 793909175 /nfs/dbraw/zinc/90/91/75/793909175.db2.gz KSZQTNZDTIPLBD-MGPQQGTHSA-N 2 2 326.397 -1.215 20 0 EAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719076 793909491 /nfs/dbraw/zinc/90/94/91/793909491.db2.gz MJXXAFDTUWGDOY-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719076 793909486 /nfs/dbraw/zinc/90/94/86/793909486.db2.gz MJXXAFDTUWGDOY-ZIAGYGMSSA-N 2 2 342.440 -1.388 20 0 EAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001213719245 793909463 /nfs/dbraw/zinc/90/94/63/793909463.db2.gz TVEIIHSYHINVIU-ZIAGYGMSSA-N 2 2 326.397 -1.213 20 0 EAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001213719245 793909460 /nfs/dbraw/zinc/90/94/60/793909460.db2.gz TVEIIHSYHINVIU-ZIAGYGMSSA-N 2 2 326.397 -1.213 20 0 EAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728289 793912018 /nfs/dbraw/zinc/91/20/18/793912018.db2.gz FPNWJRIBDYXHTB-CHWSQXEVSA-N 2 2 330.429 -1.532 20 0 EAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728289 793912012 /nfs/dbraw/zinc/91/20/12/793912012.db2.gz FPNWJRIBDYXHTB-CHWSQXEVSA-N 2 2 330.429 -1.532 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728377 793911146 /nfs/dbraw/zinc/91/11/46/793911146.db2.gz ILXSELSZNXCYIQ-HZSPNIEDSA-N 2 2 342.440 -1.341 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728377 793911141 /nfs/dbraw/zinc/91/11/41/793911141.db2.gz ILXSELSZNXCYIQ-HZSPNIEDSA-N 2 2 342.440 -1.341 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728378 793911588 /nfs/dbraw/zinc/91/15/88/793911588.db2.gz ILXSELSZNXCYIQ-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728378 793911580 /nfs/dbraw/zinc/91/15/80/793911580.db2.gz ILXSELSZNXCYIQ-MGPQQGTHSA-N 2 2 342.440 -1.341 20 0 EAADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728752 793910732 /nfs/dbraw/zinc/91/07/32/793910732.db2.gz RIGFICUEJNTOEJ-ZIAGYGMSSA-N 2 2 342.440 -1.341 20 0 EAADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728752 793910730 /nfs/dbraw/zinc/91/07/30/793910730.db2.gz RIGFICUEJNTOEJ-ZIAGYGMSSA-N 2 2 342.440 -1.341 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728754 793910945 /nfs/dbraw/zinc/91/09/45/793910945.db2.gz RJJHVUOSOLCYLQ-FRRDWIJNSA-N 2 2 328.413 -1.732 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728754 793910935 /nfs/dbraw/zinc/91/09/35/793910935.db2.gz RJJHVUOSOLCYLQ-FRRDWIJNSA-N 2 2 328.413 -1.732 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728755 793911557 /nfs/dbraw/zinc/91/15/57/793911557.db2.gz RJJHVUOSOLCYLQ-JHJVBQTASA-N 2 2 328.413 -1.732 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728755 793911552 /nfs/dbraw/zinc/91/15/52/793911552.db2.gz RJJHVUOSOLCYLQ-JHJVBQTASA-N 2 2 328.413 -1.732 20 0 EAADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728758 793910747 /nfs/dbraw/zinc/91/07/47/793910747.db2.gz RNNPMMXPARJMQB-ZIAGYGMSSA-N 2 2 344.456 -1.095 20 0 EAADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728758 793910745 /nfs/dbraw/zinc/91/07/45/793910745.db2.gz RNNPMMXPARJMQB-ZIAGYGMSSA-N 2 2 344.456 -1.095 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730326 793911054 /nfs/dbraw/zinc/91/10/54/793911054.db2.gz LLCPSGAKAMYSRD-BFHYXJOUSA-N 2 2 344.456 -1.143 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730326 793911048 /nfs/dbraw/zinc/91/10/48/793911048.db2.gz LLCPSGAKAMYSRD-BFHYXJOUSA-N 2 2 344.456 -1.143 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730327 793910854 /nfs/dbraw/zinc/91/08/54/793910854.db2.gz LLCPSGAKAMYSRD-MGPQQGTHSA-N 2 2 344.456 -1.143 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730327 793910849 /nfs/dbraw/zinc/91/08/49/793910849.db2.gz LLCPSGAKAMYSRD-MGPQQGTHSA-N 2 2 344.456 -1.143 20 0 EAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730345 793911536 /nfs/dbraw/zinc/91/15/36/793911536.db2.gz MDALACZOOLHPMS-FRRDWIJNSA-N 2 2 330.429 -1.356 20 0 EAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730345 793911530 /nfs/dbraw/zinc/91/15/30/793911530.db2.gz MDALACZOOLHPMS-FRRDWIJNSA-N 2 2 330.429 -1.356 20 0 EAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730349 793911500 /nfs/dbraw/zinc/91/15/00/793911500.db2.gz MDALACZOOLHPMS-JHJVBQTASA-N 2 2 330.429 -1.356 20 0 EAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730349 793911493 /nfs/dbraw/zinc/91/14/93/793911493.db2.gz MDALACZOOLHPMS-JHJVBQTASA-N 2 2 330.429 -1.356 20 0 EAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730464 793911628 /nfs/dbraw/zinc/91/16/28/793911628.db2.gz PPRMFTYIVVGNCH-JHJVBQTASA-N 2 2 330.429 -1.486 20 0 EAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730464 793911624 /nfs/dbraw/zinc/91/16/24/793911624.db2.gz PPRMFTYIVVGNCH-JHJVBQTASA-N 2 2 330.429 -1.486 20 0 EAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730466 793910715 /nfs/dbraw/zinc/91/07/15/793910715.db2.gz PPRMFTYIVVGNCH-YNEHKIRRSA-N 2 2 330.429 -1.486 20 0 EAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730466 793910714 /nfs/dbraw/zinc/91/07/14/793910714.db2.gz PPRMFTYIVVGNCH-YNEHKIRRSA-N 2 2 330.429 -1.486 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730669 793910785 /nfs/dbraw/zinc/91/07/85/793910785.db2.gz UTYXJYICSYXZIL-HZSPNIEDSA-N 2 2 342.440 -1.389 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730669 793910781 /nfs/dbraw/zinc/91/07/81/793910781.db2.gz UTYXJYICSYXZIL-HZSPNIEDSA-N 2 2 342.440 -1.389 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730670 793911721 /nfs/dbraw/zinc/91/17/21/793911721.db2.gz UTYXJYICSYXZIL-MGPQQGTHSA-N 2 2 342.440 -1.389 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730670 793911716 /nfs/dbraw/zinc/91/17/16/793911716.db2.gz UTYXJYICSYXZIL-MGPQQGTHSA-N 2 2 342.440 -1.389 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759685 793911808 /nfs/dbraw/zinc/91/18/08/793911808.db2.gz WJDIVALNADFAQK-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759685 793911804 /nfs/dbraw/zinc/91/18/04/793911804.db2.gz WJDIVALNADFAQK-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759685 793911801 /nfs/dbraw/zinc/91/18/01/793911801.db2.gz WJDIVALNADFAQK-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759685 793911795 /nfs/dbraw/zinc/91/17/95/793911795.db2.gz WJDIVALNADFAQK-IJLUTSLNSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759686 793912131 /nfs/dbraw/zinc/91/21/31/793912131.db2.gz WJDIVALNADFAQK-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759686 793912126 /nfs/dbraw/zinc/91/21/26/793912126.db2.gz WJDIVALNADFAQK-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759686 793912125 /nfs/dbraw/zinc/91/21/25/793912125.db2.gz WJDIVALNADFAQK-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001213759686 793912117 /nfs/dbraw/zinc/91/21/17/793912117.db2.gz WJDIVALNADFAQK-QJPTWQEYSA-N 2 2 343.428 -1.273 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767479 793912540 /nfs/dbraw/zinc/91/25/40/793912540.db2.gz VUTCGULSOAGEMF-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767479 793912538 /nfs/dbraw/zinc/91/25/38/793912538.db2.gz VUTCGULSOAGEMF-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767479 793912528 /nfs/dbraw/zinc/91/25/28/793912528.db2.gz VUTCGULSOAGEMF-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767479 793912521 /nfs/dbraw/zinc/91/25/21/793912521.db2.gz VUTCGULSOAGEMF-FRRDWIJNSA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767480 793912993 /nfs/dbraw/zinc/91/29/93/793912993.db2.gz VUTCGULSOAGEMF-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767480 793912988 /nfs/dbraw/zinc/91/29/88/793912988.db2.gz VUTCGULSOAGEMF-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767480 793912984 /nfs/dbraw/zinc/91/29/84/793912984.db2.gz VUTCGULSOAGEMF-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001213767480 793912979 /nfs/dbraw/zinc/91/29/79/793912979.db2.gz VUTCGULSOAGEMF-JHJVBQTASA-N 2 2 340.424 -1.051 20 0 EAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213859948 793919200 /nfs/dbraw/zinc/91/92/00/793919200.db2.gz PGDFCROKZJVXML-JHJVBQTASA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213859948 793919196 /nfs/dbraw/zinc/91/91/96/793919196.db2.gz PGDFCROKZJVXML-JHJVBQTASA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213859948 793919191 /nfs/dbraw/zinc/91/91/91/793919191.db2.gz PGDFCROKZJVXML-JHJVBQTASA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213859948 793919185 /nfs/dbraw/zinc/91/91/85/793919185.db2.gz PGDFCROKZJVXML-JHJVBQTASA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213859949 793919793 /nfs/dbraw/zinc/91/97/93/793919793.db2.gz PGDFCROKZJVXML-YNEHKIRRSA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213859949 793919789 /nfs/dbraw/zinc/91/97/89/793919789.db2.gz PGDFCROKZJVXML-YNEHKIRRSA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213859949 793919781 /nfs/dbraw/zinc/91/97/81/793919781.db2.gz PGDFCROKZJVXML-YNEHKIRRSA-N 2 2 348.469 -1.697 20 0 EAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213859949 793919775 /nfs/dbraw/zinc/91/97/75/793919775.db2.gz PGDFCROKZJVXML-YNEHKIRRSA-N 2 2 348.469 -1.697 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213888167 793921523 /nfs/dbraw/zinc/92/15/23/793921523.db2.gz SSKZJLIDKFLJGJ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213888167 793921521 /nfs/dbraw/zinc/92/15/21/793921521.db2.gz SSKZJLIDKFLJGJ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213888167 793921518 /nfs/dbraw/zinc/92/15/18/793921518.db2.gz SSKZJLIDKFLJGJ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213888167 793921512 /nfs/dbraw/zinc/92/15/12/793921512.db2.gz SSKZJLIDKFLJGJ-KFWWJZLASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213888168 793921315 /nfs/dbraw/zinc/92/13/15/793921315.db2.gz SSKZJLIDKFLJGJ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2OC)C1 ZINC001213888168 793921309 /nfs/dbraw/zinc/92/13/09/793921309.db2.gz SSKZJLIDKFLJGJ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213888168 793921305 /nfs/dbraw/zinc/92/13/05/793921305.db2.gz SSKZJLIDKFLJGJ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213888168 793921300 /nfs/dbraw/zinc/92/13/00/793921300.db2.gz SSKZJLIDKFLJGJ-RBSFLKMASA-N 2 2 345.440 -1.469 20 0 EAADLP CO[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929556 793922224 /nfs/dbraw/zinc/92/22/24/793922224.db2.gz BBOIXVFIEUXIIN-FRRDWIJNSA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929556 793922219 /nfs/dbraw/zinc/92/22/19/793922219.db2.gz BBOIXVFIEUXIIN-FRRDWIJNSA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929556 793922213 /nfs/dbraw/zinc/92/22/13/793922213.db2.gz BBOIXVFIEUXIIN-FRRDWIJNSA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929556 793922209 /nfs/dbraw/zinc/92/22/09/793922209.db2.gz BBOIXVFIEUXIIN-FRRDWIJNSA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929557 793923426 /nfs/dbraw/zinc/92/34/26/793923426.db2.gz BBOIXVFIEUXIIN-JHJVBQTASA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929557 793923421 /nfs/dbraw/zinc/92/34/21/793923421.db2.gz BBOIXVFIEUXIIN-JHJVBQTASA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929557 793923416 /nfs/dbraw/zinc/92/34/16/793923416.db2.gz BBOIXVFIEUXIIN-JHJVBQTASA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929557 793923409 /nfs/dbraw/zinc/92/34/09/793923409.db2.gz BBOIXVFIEUXIIN-JHJVBQTASA-N 2 2 340.424 -1.053 20 0 EAADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929648 793923533 /nfs/dbraw/zinc/92/35/33/793923533.db2.gz FRVQCVXTQBBSOQ-IJLUTSLNSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929648 793923530 /nfs/dbraw/zinc/92/35/30/793923530.db2.gz FRVQCVXTQBBSOQ-IJLUTSLNSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929648 793923524 /nfs/dbraw/zinc/92/35/24/793923524.db2.gz FRVQCVXTQBBSOQ-IJLUTSLNSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929648 793923517 /nfs/dbraw/zinc/92/35/17/793923517.db2.gz FRVQCVXTQBBSOQ-IJLUTSLNSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929649 793922824 /nfs/dbraw/zinc/92/28/24/793922824.db2.gz FRVQCVXTQBBSOQ-QJPTWQEYSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929649 793922819 /nfs/dbraw/zinc/92/28/19/793922819.db2.gz FRVQCVXTQBBSOQ-QJPTWQEYSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929649 793922810 /nfs/dbraw/zinc/92/28/10/793922810.db2.gz FRVQCVXTQBBSOQ-QJPTWQEYSA-N 2 2 343.428 -1.275 20 0 EAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929649 793922805 /nfs/dbraw/zinc/92/28/05/793922805.db2.gz FRVQCVXTQBBSOQ-QJPTWQEYSA-N 2 2 343.428 -1.275 20 0 EAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214388707 793933125 /nfs/dbraw/zinc/93/31/25/793933125.db2.gz IARJDRZTELGFPE-JHJVBQTASA-N 2 2 333.454 -1.202 20 0 EAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214388707 793933118 /nfs/dbraw/zinc/93/31/18/793933118.db2.gz IARJDRZTELGFPE-JHJVBQTASA-N 2 2 333.454 -1.202 20 0 EAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214388708 786121111 /nfs/dbraw/zinc/12/11/11/786121111.db2.gz IARJDRZTELGFPE-UPJWGTAASA-N 2 2 333.454 -1.202 20 0 EAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214388708 786121102 /nfs/dbraw/zinc/12/11/02/786121102.db2.gz IARJDRZTELGFPE-UPJWGTAASA-N 2 2 333.454 -1.202 20 0 EAADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215199842 793953435 /nfs/dbraw/zinc/95/34/35/793953435.db2.gz HSKYCKWRCKTXOX-GHMZBOCLSA-N 2 2 336.396 -1.016 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215455923 793958345 /nfs/dbraw/zinc/95/83/45/793958345.db2.gz JGHJMOPRNCUCAG-JIMOISOXSA-N 2 2 336.396 -1.621 20 0 EAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215455923 793958339 /nfs/dbraw/zinc/95/83/39/793958339.db2.gz JGHJMOPRNCUCAG-JIMOISOXSA-N 2 2 336.396 -1.621 20 0 EAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215680921 793960316 /nfs/dbraw/zinc/96/03/16/793960316.db2.gz ORPMAGIEIPEJBR-ZYHUDNBSSA-N 2 2 329.426 -1.062 20 0 EAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216065837 793965055 /nfs/dbraw/zinc/96/50/55/793965055.db2.gz UXALZRACGPNJIU-GHMZBOCLSA-N 2 2 329.426 -1.062 20 0 EAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216383032 793967946 /nfs/dbraw/zinc/96/79/46/793967946.db2.gz GUJUCIZKXPVDON-ZYHUDNBSSA-N 2 2 336.396 -1.145 20 0 EAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216392381 793967799 /nfs/dbraw/zinc/96/77/99/793967799.db2.gz BOYHIGQDTLKTOD-DGCLKSJQSA-N 2 2 343.453 -1.052 20 0 EAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001216393199 793968232 /nfs/dbraw/zinc/96/82/32/793968232.db2.gz ZFDARXBEJGGTGC-CKYFFXLPSA-N 2 2 336.396 -1.018 20 0 EAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001216393201 793968972 /nfs/dbraw/zinc/96/89/72/793968972.db2.gz ZFDARXBEJGGTGC-JFGNBEQYSA-N 2 2 336.396 -1.018 20 0 EAADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001216401860 793969159 /nfs/dbraw/zinc/96/91/59/793969159.db2.gz PQOXZFMDSRIHHD-VXGBXAGGSA-N 2 2 325.417 -1.275 20 0 EAADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216626811 793969813 /nfs/dbraw/zinc/96/98/13/793969813.db2.gz MEBKJDOBVGRDAA-ZYHUDNBSSA-N 2 2 336.396 -1.016 20 0 EAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001217010234 793977042 /nfs/dbraw/zinc/97/70/42/793977042.db2.gz LLRAWLXLOXIDRS-VXGBXAGGSA-N 2 2 329.426 -1.131 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001217590693 793990791 /nfs/dbraw/zinc/99/07/91/793990791.db2.gz OKHMNXNCEOEDED-RRFJBIMHSA-N 2 2 343.424 -1.763 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001217590693 793990784 /nfs/dbraw/zinc/99/07/84/793990784.db2.gz OKHMNXNCEOEDED-RRFJBIMHSA-N 2 2 343.424 -1.763 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001217590693 793990774 /nfs/dbraw/zinc/99/07/74/793990774.db2.gz OKHMNXNCEOEDED-RRFJBIMHSA-N 2 2 343.424 -1.763 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001217590693 793990768 /nfs/dbraw/zinc/99/07/68/793990768.db2.gz OKHMNXNCEOEDED-RRFJBIMHSA-N 2 2 343.424 -1.763 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001217590696 793990566 /nfs/dbraw/zinc/99/05/66/793990566.db2.gz OKHMNXNCEOEDED-ZNMIVQPWSA-N 2 2 343.424 -1.763 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001217590696 793990560 /nfs/dbraw/zinc/99/05/60/793990560.db2.gz OKHMNXNCEOEDED-ZNMIVQPWSA-N 2 2 343.424 -1.763 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001217590696 793990554 /nfs/dbraw/zinc/99/05/54/793990554.db2.gz OKHMNXNCEOEDED-ZNMIVQPWSA-N 2 2 343.424 -1.763 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001217590696 793990548 /nfs/dbraw/zinc/99/05/48/793990548.db2.gz OKHMNXNCEOEDED-ZNMIVQPWSA-N 2 2 343.424 -1.763 20 0 EAADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)nc2)CC1 ZINC001218516228 794011206 /nfs/dbraw/zinc/01/12/06/794011206.db2.gz VUOMQUVQZKDMRM-NSHDSACASA-N 2 2 331.384 -1.145 20 0 EAADLP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218551644 794012438 /nfs/dbraw/zinc/01/24/38/794012438.db2.gz IIGONXPYLLWGOX-WDSKDSINSA-N 2 2 327.366 -1.096 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581409 794015016 /nfs/dbraw/zinc/01/50/16/794015016.db2.gz DSANKIDXSNPJCT-GRYCIOLGSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581409 794015011 /nfs/dbraw/zinc/01/50/11/794015011.db2.gz DSANKIDXSNPJCT-GRYCIOLGSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581410 794014622 /nfs/dbraw/zinc/01/46/22/794014622.db2.gz DSANKIDXSNPJCT-SDDRHHMPSA-N 2 2 341.412 -1.567 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581410 794014618 /nfs/dbraw/zinc/01/46/18/794014618.db2.gz DSANKIDXSNPJCT-SDDRHHMPSA-N 2 2 341.412 -1.567 20 0 EAADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218600937 794016013 /nfs/dbraw/zinc/01/60/13/794016013.db2.gz UGOACKZZSNKRGJ-QWHCGFSZSA-N 2 2 348.469 -1.601 20 0 EAADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218600937 794016006 /nfs/dbraw/zinc/01/60/06/794016006.db2.gz UGOACKZZSNKRGJ-QWHCGFSZSA-N 2 2 348.469 -1.601 20 0 EAADLP Nc1cn(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619395 794017129 /nfs/dbraw/zinc/01/71/29/794017129.db2.gz GVIVGXZRLUFEDR-STQMWFEESA-N 3 2 334.424 -1.510 20 0 EAADLP Nc1cn(C(=O)[C@@H]2COCC[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620312 794016992 /nfs/dbraw/zinc/01/69/92/794016992.db2.gz POKWOHNTTYQDNM-HNNXBMFYSA-N 2 2 335.408 -1.068 20 0 EAADLP Nc1cn(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620933 794017918 /nfs/dbraw/zinc/01/79/18/794017918.db2.gz SMVTVMZVDRGJHU-DOMZBBRYSA-N 3 2 334.424 -1.367 20 0 EAADLP Nc1cn(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620934 794019040 /nfs/dbraw/zinc/01/90/40/794019040.db2.gz SMVTVMZVDRGJHU-WFASDCNBSA-N 3 2 334.424 -1.367 20 0 EAADLP CSc1n[nH]c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1C(N)=O ZINC001218637984 794018021 /nfs/dbraw/zinc/01/80/21/794018021.db2.gz IMYMUUBMFCUIIT-MRVPVSSYSA-N 2 2 341.441 -1.081 20 0 EAADLP CSc1n[nH]c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1C(N)=O ZINC001218637993 794018421 /nfs/dbraw/zinc/01/84/21/794018421.db2.gz IMYMUUBMFCUIIT-QMMMGPOBSA-N 2 2 341.441 -1.081 20 0 EAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218668824 794017863 /nfs/dbraw/zinc/01/78/63/794017863.db2.gz IZQRZEHEHRHCTI-AWEZNQCLSA-N 3 2 334.424 -1.037 20 0 EAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218668825 794018749 /nfs/dbraw/zinc/01/87/49/794018749.db2.gz IZQRZEHEHRHCTI-CQSZACIVSA-N 3 2 334.424 -1.037 20 0 EAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218671072 794018635 /nfs/dbraw/zinc/01/86/35/794018635.db2.gz LYCHOERFWGXQFP-SSDOTTSWSA-N 2 2 325.329 -1.025 20 0 EAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218671081 794017643 /nfs/dbraw/zinc/01/76/43/794017643.db2.gz LYCHOERFWGXQFP-ZETCQYMHSA-N 2 2 325.329 -1.025 20 0 EAADLP Nc1cccnc1N(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1CC[NH2+]CC1 ZINC001218695116 794020436 /nfs/dbraw/zinc/02/04/36/794020436.db2.gz MSZWHAUUCOHNAD-NSHDSACASA-N 2 2 331.384 -1.168 20 0 EAADLP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218703290 794020749 /nfs/dbraw/zinc/02/07/49/794020749.db2.gz CYSJDGNLTFIVQS-YUMQZZPRSA-N 2 2 336.356 -2.552 20 0 EAADLP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218704371 794020920 /nfs/dbraw/zinc/02/09/20/794020920.db2.gz PSIUAQMEONDFPB-SFYZADRCSA-N 2 2 336.356 -2.410 20 0 EAADLP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218704373 794021054 /nfs/dbraw/zinc/02/10/54/794021054.db2.gz PSIUAQMEONDFPB-YUMQZZPRSA-N 2 2 336.356 -2.410 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)C1 ZINC001218770376 794023987 /nfs/dbraw/zinc/02/39/87/794023987.db2.gz FABLHPWXXVMYMW-MNOVXSKESA-N 2 2 349.395 -1.852 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)C1 ZINC001218770377 794024964 /nfs/dbraw/zinc/02/49/64/794024964.db2.gz FABLHPWXXVMYMW-QWRGUYRKSA-N 2 2 349.395 -1.852 20 0 EAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770572 794024520 /nfs/dbraw/zinc/02/45/20/794024520.db2.gz JCOJHGJGKNBQQQ-JTQLQIEISA-N 2 2 337.384 -1.865 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218880003 794025526 /nfs/dbraw/zinc/02/55/26/794025526.db2.gz PLAMWXWPQBDJND-NSHDSACASA-N 2 2 344.379 -1.246 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218958514 794027479 /nfs/dbraw/zinc/02/74/79/794027479.db2.gz FPIZLQNSVXGOOR-QLFBSQMISA-N 2 2 338.408 -1.119 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218958514 794027469 /nfs/dbraw/zinc/02/74/69/794027469.db2.gz FPIZLQNSVXGOOR-QLFBSQMISA-N 2 2 338.408 -1.119 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218958521 794028505 /nfs/dbraw/zinc/02/85/05/794028505.db2.gz FPIZLQNSVXGOOR-SOUVJXGZSA-N 2 2 338.408 -1.119 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218958521 794028495 /nfs/dbraw/zinc/02/84/95/794028495.db2.gz FPIZLQNSVXGOOR-SOUVJXGZSA-N 2 2 338.408 -1.119 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218958927 794028560 /nfs/dbraw/zinc/02/85/60/794028560.db2.gz JYOCXEPCHBHCOP-LSDHHAIUSA-N 2 2 338.408 -1.117 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218958927 794028550 /nfs/dbraw/zinc/02/85/50/794028550.db2.gz JYOCXEPCHBHCOP-LSDHHAIUSA-N 2 2 338.408 -1.117 20 0 EAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970156 794031075 /nfs/dbraw/zinc/03/10/75/794031075.db2.gz DPOQFEUIPBBQFL-HZSPNIEDSA-N 2 2 342.440 -1.260 20 0 EAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970156 794031064 /nfs/dbraw/zinc/03/10/64/794031064.db2.gz DPOQFEUIPBBQFL-HZSPNIEDSA-N 2 2 342.440 -1.260 20 0 EAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970161 794030403 /nfs/dbraw/zinc/03/04/03/794030403.db2.gz DPOQFEUIPBBQFL-MELADBBJSA-N 2 2 342.440 -1.260 20 0 EAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970161 794030395 /nfs/dbraw/zinc/03/03/95/794030395.db2.gz DPOQFEUIPBBQFL-MELADBBJSA-N 2 2 342.440 -1.260 20 0 EAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970559 794030572 /nfs/dbraw/zinc/03/05/72/794030572.db2.gz JRODRPSOVIGUQX-HZSPNIEDSA-N 2 2 342.440 -1.389 20 0 EAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970559 794030565 /nfs/dbraw/zinc/03/05/65/794030565.db2.gz JRODRPSOVIGUQX-HZSPNIEDSA-N 2 2 342.440 -1.389 20 0 EAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970560 794030657 /nfs/dbraw/zinc/03/06/57/794030657.db2.gz JRODRPSOVIGUQX-MELADBBJSA-N 2 2 342.440 -1.389 20 0 EAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970560 794030649 /nfs/dbraw/zinc/03/06/49/794030649.db2.gz JRODRPSOVIGUQX-MELADBBJSA-N 2 2 342.440 -1.389 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357624 794086126 /nfs/dbraw/zinc/08/61/26/794086126.db2.gz DJYPXLFGHGLUGZ-ILXRZTDVSA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357624 794086117 /nfs/dbraw/zinc/08/61/17/794086117.db2.gz DJYPXLFGHGLUGZ-ILXRZTDVSA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357624 794086114 /nfs/dbraw/zinc/08/61/14/794086114.db2.gz DJYPXLFGHGLUGZ-ILXRZTDVSA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357624 794086109 /nfs/dbraw/zinc/08/61/09/794086109.db2.gz DJYPXLFGHGLUGZ-ILXRZTDVSA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357625 794086563 /nfs/dbraw/zinc/08/65/63/794086563.db2.gz DJYPXLFGHGLUGZ-KFWWJZLASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357625 794086551 /nfs/dbraw/zinc/08/65/51/794086551.db2.gz DJYPXLFGHGLUGZ-KFWWJZLASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357625 794086543 /nfs/dbraw/zinc/08/65/43/794086543.db2.gz DJYPXLFGHGLUGZ-KFWWJZLASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357625 794086534 /nfs/dbraw/zinc/08/65/34/794086534.db2.gz DJYPXLFGHGLUGZ-KFWWJZLASA-N 2 2 342.440 -1.605 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357875 794086015 /nfs/dbraw/zinc/08/60/15/794086015.db2.gz OEWFKPRRRBQMGV-MCIONIFRSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357875 794086007 /nfs/dbraw/zinc/08/60/07/794086007.db2.gz OEWFKPRRRBQMGV-MCIONIFRSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357875 794085999 /nfs/dbraw/zinc/08/59/99/794085999.db2.gz OEWFKPRRRBQMGV-MCIONIFRSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357875 794085990 /nfs/dbraw/zinc/08/59/90/794085990.db2.gz OEWFKPRRRBQMGV-MCIONIFRSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357876 794086506 /nfs/dbraw/zinc/08/65/06/794086506.db2.gz OEWFKPRRRBQMGV-RDBSUJKOSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357876 794086493 /nfs/dbraw/zinc/08/64/93/794086493.db2.gz OEWFKPRRRBQMGV-RDBSUJKOSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357876 794086491 /nfs/dbraw/zinc/08/64/91/794086491.db2.gz OEWFKPRRRBQMGV-RDBSUJKOSA-N 2 2 341.456 -1.051 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357876 794086478 /nfs/dbraw/zinc/08/64/78/794086478.db2.gz OEWFKPRRRBQMGV-RDBSUJKOSA-N 2 2 341.456 -1.051 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411703 794100457 /nfs/dbraw/zinc/10/04/57/794100457.db2.gz UNUQEFNVAFBHLM-ILXRZTDVSA-N 2 2 327.425 -1.095 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411703 794100454 /nfs/dbraw/zinc/10/04/54/794100454.db2.gz UNUQEFNVAFBHLM-ILXRZTDVSA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411703 794100451 /nfs/dbraw/zinc/10/04/51/794100451.db2.gz UNUQEFNVAFBHLM-ILXRZTDVSA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411703 794100447 /nfs/dbraw/zinc/10/04/47/794100447.db2.gz UNUQEFNVAFBHLM-ILXRZTDVSA-N 2 2 327.425 -1.095 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411704 794099375 /nfs/dbraw/zinc/09/93/75/794099375.db2.gz UNUQEFNVAFBHLM-QLFBSQMISA-N 2 2 327.425 -1.095 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411704 794099369 /nfs/dbraw/zinc/09/93/69/794099369.db2.gz UNUQEFNVAFBHLM-QLFBSQMISA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411704 794099359 /nfs/dbraw/zinc/09/93/59/794099359.db2.gz UNUQEFNVAFBHLM-QLFBSQMISA-N 2 2 327.425 -1.095 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219411704 794099352 /nfs/dbraw/zinc/09/93/52/794099352.db2.gz UNUQEFNVAFBHLM-QLFBSQMISA-N 2 2 327.425 -1.095 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411845 794098816 /nfs/dbraw/zinc/09/88/16/794098816.db2.gz ZYQWLHBUEGPKAD-HZSPNIEDSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411845 794098806 /nfs/dbraw/zinc/09/88/06/794098806.db2.gz ZYQWLHBUEGPKAD-HZSPNIEDSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411845 794098796 /nfs/dbraw/zinc/09/87/96/794098796.db2.gz ZYQWLHBUEGPKAD-HZSPNIEDSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411845 794098786 /nfs/dbraw/zinc/09/87/86/794098786.db2.gz ZYQWLHBUEGPKAD-HZSPNIEDSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411846 794102013 /nfs/dbraw/zinc/10/20/13/794102013.db2.gz ZYQWLHBUEGPKAD-RDBSUJKOSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411846 794102009 /nfs/dbraw/zinc/10/20/09/794102009.db2.gz ZYQWLHBUEGPKAD-RDBSUJKOSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411846 794102005 /nfs/dbraw/zinc/10/20/05/794102005.db2.gz ZYQWLHBUEGPKAD-RDBSUJKOSA-N 2 2 331.413 -1.859 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411846 794102002 /nfs/dbraw/zinc/10/20/02/794102002.db2.gz ZYQWLHBUEGPKAD-RDBSUJKOSA-N 2 2 331.413 -1.859 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219530686 794127014 /nfs/dbraw/zinc/12/70/14/794127014.db2.gz HNPGPDMTUBNPGV-MCIONIFRSA-N 2 2 348.407 -1.239 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219530686 794127009 /nfs/dbraw/zinc/12/70/09/794127009.db2.gz HNPGPDMTUBNPGV-MCIONIFRSA-N 2 2 348.407 -1.239 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219530691 794126861 /nfs/dbraw/zinc/12/68/61/794126861.db2.gz HNPGPDMTUBNPGV-MJBXVCDLSA-N 2 2 348.407 -1.239 20 0 EAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219530691 794126860 /nfs/dbraw/zinc/12/68/60/794126860.db2.gz HNPGPDMTUBNPGV-MJBXVCDLSA-N 2 2 348.407 -1.239 20 0 EAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564108 794132940 /nfs/dbraw/zinc/13/29/40/794132940.db2.gz RVKUYIVAQJGIAI-RYUDHWBXSA-N 2 2 336.396 -1.546 20 0 EAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCn1cc[nH+]c1 ZINC001219564302 794132789 /nfs/dbraw/zinc/13/27/89/794132789.db2.gz XJKPZUAFZNIIMS-UHFFFAOYSA-N 2 2 339.356 -3.693 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573844 794136057 /nfs/dbraw/zinc/13/60/57/794136057.db2.gz YJUMVJFWVVKRMO-CYBMUJFWSA-N 2 2 327.429 -1.898 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573845 794135849 /nfs/dbraw/zinc/13/58/49/794135849.db2.gz YJUMVJFWVVKRMO-ZDUSSCGKSA-N 2 2 327.429 -1.898 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C[NH2+]C2 ZINC001219616381 794142170 /nfs/dbraw/zinc/14/21/70/794142170.db2.gz ZLGSPBOTIREMTK-NURSFMCSSA-N 2 2 326.376 -1.337 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C[NH2+]C2 ZINC001219616382 794142658 /nfs/dbraw/zinc/14/26/58/794142658.db2.gz ZLGSPBOTIREMTK-OLUVUFQESA-N 2 2 326.376 -1.337 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643566 794150055 /nfs/dbraw/zinc/15/00/55/794150055.db2.gz YNKBTUDDCJMJIT-KFWWJZLASA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643566 794150053 /nfs/dbraw/zinc/15/00/53/794150053.db2.gz YNKBTUDDCJMJIT-KFWWJZLASA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643567 794149963 /nfs/dbraw/zinc/14/99/63/794149963.db2.gz YNKBTUDDCJMJIT-ZNMIVQPWSA-N 2 2 338.452 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643567 794149960 /nfs/dbraw/zinc/14/99/60/794149960.db2.gz YNKBTUDDCJMJIT-ZNMIVQPWSA-N 2 2 338.452 -1.032 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219656227 794151219 /nfs/dbraw/zinc/15/12/19/794151219.db2.gz QVYJINJAAZQBGI-LPWJVIDDSA-N 2 2 348.469 -1.963 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219656227 794151211 /nfs/dbraw/zinc/15/12/11/794151211.db2.gz QVYJINJAAZQBGI-LPWJVIDDSA-N 2 2 348.469 -1.963 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001219656227 794151205 /nfs/dbraw/zinc/15/12/05/794151205.db2.gz QVYJINJAAZQBGI-LPWJVIDDSA-N 2 2 348.469 -1.963 20 0 EAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219656227 794151199 /nfs/dbraw/zinc/15/11/99/794151199.db2.gz QVYJINJAAZQBGI-LPWJVIDDSA-N 2 2 348.469 -1.963 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656240 794152076 /nfs/dbraw/zinc/15/20/76/794152076.db2.gz RETTUFKFNZTDKR-SYQHCUMBSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656240 794152068 /nfs/dbraw/zinc/15/20/68/794152068.db2.gz RETTUFKFNZTDKR-SYQHCUMBSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656240 794152065 /nfs/dbraw/zinc/15/20/65/794152065.db2.gz RETTUFKFNZTDKR-SYQHCUMBSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656240 794152060 /nfs/dbraw/zinc/15/20/60/794152060.db2.gz RETTUFKFNZTDKR-SYQHCUMBSA-N 2 2 326.441 -1.034 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676395 794155316 /nfs/dbraw/zinc/15/53/16/794155316.db2.gz IVCZGVQXEFQRAE-UHFFFAOYSA-N 2 2 333.414 -3.231 20 0 EAADLP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccc(O)cc1 ZINC001219676456 794154488 /nfs/dbraw/zinc/15/44/88/794154488.db2.gz LDZRJVGGZLIQRJ-ZDUSSCGKSA-N 2 2 342.421 -1.257 20 0 EAADLP O=C(C[NH2+]C1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676477 794154871 /nfs/dbraw/zinc/15/48/71/794154871.db2.gz LVSKTBDBWNKAQR-UHFFFAOYSA-N 3 2 333.458 -2.321 20 0 EAADLP [NH3+][C@@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1 ZINC001219676652 794154740 /nfs/dbraw/zinc/15/47/40/794154740.db2.gz RYQKMILYNSDFDE-GFCCVEGCSA-N 2 2 327.410 -1.567 20 0 EAADLP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1 ZINC001219676653 794155113 /nfs/dbraw/zinc/15/51/13/794155113.db2.gz RYQKMILYNSDFDE-LBPRGKRZSA-N 2 2 327.410 -1.567 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn21 ZINC001219676684 794154810 /nfs/dbraw/zinc/15/48/10/794154810.db2.gz SVMHFEXRVOIHLC-GFCCVEGCSA-N 2 2 342.425 -2.121 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001219676685 794155406 /nfs/dbraw/zinc/15/54/06/794155406.db2.gz SVMHFEXRVOIHLC-LBPRGKRZSA-N 2 2 342.425 -2.121 20 0 EAADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676717 794154972 /nfs/dbraw/zinc/15/49/72/794154972.db2.gz UPDZFWDFGIOMMM-LLVKDONJSA-N 2 2 330.414 -2.369 20 0 EAADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676718 794154562 /nfs/dbraw/zinc/15/45/62/794154562.db2.gz UPDZFWDFGIOMMM-NSHDSACASA-N 2 2 330.414 -2.369 20 0 EAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676751 794155039 /nfs/dbraw/zinc/15/50/39/794155039.db2.gz WDKTVLRMEOVPDO-JTQLQIEISA-N 2 2 336.414 -2.382 20 0 EAADLP CC1(C)C[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CO1 ZINC001219678065 794156832 /nfs/dbraw/zinc/15/68/32/794156832.db2.gz AXBVWRPFFAWERK-NSHDSACASA-N 2 2 334.442 -1.895 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1n[nH]c2c1C[NH2+]C2 ZINC001219680301 794158103 /nfs/dbraw/zinc/15/81/03/794158103.db2.gz BJLCEXRREIJNEZ-UHFFFAOYSA-N 2 2 328.398 -2.022 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cnn2c1C[NH2+]CC2 ZINC001219680360 794157935 /nfs/dbraw/zinc/15/79/35/794157935.db2.gz DXASJAZNKODAKT-UHFFFAOYSA-N 2 2 342.425 -2.049 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1coc2c1C[NH2+]C2 ZINC001219680391 794158456 /nfs/dbraw/zinc/15/84/56/794158456.db2.gz GFHFKOXMWZZFAJ-UHFFFAOYSA-N 2 2 328.394 -1.152 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cc2n(n1)CC[NH2+]C2 ZINC001219680413 794158301 /nfs/dbraw/zinc/15/83/01/794158301.db2.gz HBJNGQWSFVOASC-UHFFFAOYSA-N 2 2 342.425 -2.049 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1nnn2c1C[NH2+]CC2 ZINC001219680471 794158091 /nfs/dbraw/zinc/15/80/91/794158091.db2.gz JDCXYDDJVFQBCP-UHFFFAOYSA-N 2 2 343.413 -2.654 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1n[nH]c2c1CC[NH2+]C2 ZINC001219680610 794157797 /nfs/dbraw/zinc/15/77/97/794157797.db2.gz PJZVAZLJEAEFRJ-UHFFFAOYSA-N 2 2 342.425 -1.980 20 0 EAADLP [NH3+]Cc1ncc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)s1 ZINC001219680687 794158362 /nfs/dbraw/zinc/15/83/62/794158362.db2.gz SSLCIAVEXCJCBP-UHFFFAOYSA-N 2 2 333.439 -1.433 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1noc2c1C[NH2+]CC2 ZINC001219680695 794158119 /nfs/dbraw/zinc/15/81/19/794158119.db2.gz TZBBOWHXOGGGCK-UHFFFAOYSA-N 2 2 343.409 -1.715 20 0 EAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1ncn2c1C[NH2+]CC2 ZINC001219680784 794157612 /nfs/dbraw/zinc/15/76/12/794157612.db2.gz YZXHJTJVTFLWAX-UHFFFAOYSA-N 2 2 342.425 -2.049 20 0 EAADLP Cn1nc2c(c1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C[NH2+]C2 ZINC001219682403 794158239 /nfs/dbraw/zinc/15/82/39/794158239.db2.gz MKZPUWQVXBBKLW-UHFFFAOYSA-N 2 2 342.425 -2.012 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)COC1(C)C ZINC001219693958 794159204 /nfs/dbraw/zinc/15/92/04/794159204.db2.gz BHPWLPRSGZJEFU-SRVKXCTJSA-N 2 2 328.413 -1.256 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)COC1(C)C ZINC001219693958 794159200 /nfs/dbraw/zinc/15/92/00/794159200.db2.gz BHPWLPRSGZJEFU-SRVKXCTJSA-N 2 2 328.413 -1.256 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)COC1(C)C ZINC001219693959 794159625 /nfs/dbraw/zinc/15/96/25/794159625.db2.gz BHPWLPRSGZJEFU-TUAOUCFPSA-N 2 2 328.413 -1.256 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)COC1(C)C ZINC001219693959 794159624 /nfs/dbraw/zinc/15/96/24/794159624.db2.gz BHPWLPRSGZJEFU-TUAOUCFPSA-N 2 2 328.413 -1.256 20 0 EAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695536 794159695 /nfs/dbraw/zinc/15/96/95/794159695.db2.gz WGOAKCVEMGFOJM-CHWSQXEVSA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695536 794159690 /nfs/dbraw/zinc/15/96/90/794159690.db2.gz WGOAKCVEMGFOJM-CHWSQXEVSA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695538 794159551 /nfs/dbraw/zinc/15/95/51/794159551.db2.gz WGOAKCVEMGFOJM-OLZOCXBDSA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695538 794159549 /nfs/dbraw/zinc/15/95/49/794159549.db2.gz WGOAKCVEMGFOJM-OLZOCXBDSA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695539 794159541 /nfs/dbraw/zinc/15/95/41/794159541.db2.gz WGOAKCVEMGFOJM-QWHCGFSZSA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695539 794159538 /nfs/dbraw/zinc/15/95/38/794159538.db2.gz WGOAKCVEMGFOJM-QWHCGFSZSA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695540 794159524 /nfs/dbraw/zinc/15/95/24/794159524.db2.gz WGOAKCVEMGFOJM-STQMWFEESA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219695540 794159521 /nfs/dbraw/zinc/15/95/21/794159521.db2.gz WGOAKCVEMGFOJM-STQMWFEESA-N 2 2 345.465 -1.152 20 0 EAADLP C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219695765 794159359 /nfs/dbraw/zinc/15/93/59/794159359.db2.gz XZSMYHLFDYPDGG-NEPJUHHUSA-N 2 2 330.429 -1.308 20 0 EAADLP C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219695765 794159354 /nfs/dbraw/zinc/15/93/54/794159354.db2.gz XZSMYHLFDYPDGG-NEPJUHHUSA-N 2 2 330.429 -1.308 20 0 EAADLP C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219695767 794159312 /nfs/dbraw/zinc/15/93/12/794159312.db2.gz XZSMYHLFDYPDGG-RYUDHWBXSA-N 2 2 330.429 -1.308 20 0 EAADLP C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219695767 794159306 /nfs/dbraw/zinc/15/93/06/794159306.db2.gz XZSMYHLFDYPDGG-RYUDHWBXSA-N 2 2 330.429 -1.308 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)NCc1nnc3n1CCC[NH2+]C3)C[NH2+]C2 ZINC001219746919 794175272 /nfs/dbraw/zinc/17/52/72/794175272.db2.gz OPLICZPMXREWNO-JTQLQIEISA-N 2 2 345.411 -1.114 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)NCc1nnc3n1CCC[NH2+]C3)C[NH2+]C2 ZINC001219746924 794174328 /nfs/dbraw/zinc/17/43/28/794174328.db2.gz OPLICZPMXREWNO-SNVBAGLBSA-N 2 2 345.411 -1.114 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796180 794185047 /nfs/dbraw/zinc/18/50/47/794185047.db2.gz PDDSBRZWALWMHI-FZMZJTMJSA-N 3 2 341.456 -1.857 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001219796474 794184755 /nfs/dbraw/zinc/18/47/55/794184755.db2.gz CHBJKIWTGBBATE-MCIONIFRSA-N 2 2 338.408 -1.069 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001219796475 794184709 /nfs/dbraw/zinc/18/47/09/794184709.db2.gz CHBJKIWTGBBATE-RDBSUJKOSA-N 2 2 338.408 -1.069 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219800145 794184852 /nfs/dbraw/zinc/18/48/52/794184852.db2.gz IFRFBAOAJLHKQD-MCIONIFRSA-N 2 2 325.413 -1.643 20 0 EAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219800145 794184844 /nfs/dbraw/zinc/18/48/44/794184844.db2.gz IFRFBAOAJLHKQD-MCIONIFRSA-N 2 2 325.413 -1.643 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219800146 794184733 /nfs/dbraw/zinc/18/47/33/794184733.db2.gz IFRFBAOAJLHKQD-RDBSUJKOSA-N 2 2 325.413 -1.643 20 0 EAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219800146 794184730 /nfs/dbraw/zinc/18/47/30/794184730.db2.gz IFRFBAOAJLHKQD-RDBSUJKOSA-N 2 2 325.413 -1.643 20 0 EAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800694 794184163 /nfs/dbraw/zinc/18/41/63/794184163.db2.gz TUAXSJBDPJHVAJ-MCIONIFRSA-N 2 2 325.413 -1.379 20 0 EAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800694 794184157 /nfs/dbraw/zinc/18/41/57/794184157.db2.gz TUAXSJBDPJHVAJ-MCIONIFRSA-N 2 2 325.413 -1.379 20 0 EAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800695 794184794 /nfs/dbraw/zinc/18/47/94/794184794.db2.gz TUAXSJBDPJHVAJ-RDBSUJKOSA-N 2 2 325.413 -1.379 20 0 EAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800695 794184790 /nfs/dbraw/zinc/18/47/90/794184790.db2.gz TUAXSJBDPJHVAJ-RDBSUJKOSA-N 2 2 325.413 -1.379 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CCC1 ZINC001219802282 794184203 /nfs/dbraw/zinc/18/42/03/794184203.db2.gz LFFJBKPFPWEPFW-UTUOFQBUSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CCC1 ZINC001219802282 794184195 /nfs/dbraw/zinc/18/41/95/794184195.db2.gz LFFJBKPFPWEPFW-UTUOFQBUSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CCC1 ZINC001219802284 794183602 /nfs/dbraw/zinc/18/36/02/794183602.db2.gz LFFJBKPFPWEPFW-WOPDTQHZSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CCC1 ZINC001219802284 794183598 /nfs/dbraw/zinc/18/35/98/794183598.db2.gz LFFJBKPFPWEPFW-WOPDTQHZSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CCC1 ZINC001219802637 794184483 /nfs/dbraw/zinc/18/44/83/794184483.db2.gz YDVYTJHFUIONRK-OLZOCXBDSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CCC1 ZINC001219802637 794184477 /nfs/dbraw/zinc/18/44/77/794184477.db2.gz YDVYTJHFUIONRK-OLZOCXBDSA-N 2 2 339.440 -1.343 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802686 794183762 /nfs/dbraw/zinc/18/37/62/794183762.db2.gz AEIIOSFMGANRGE-GXTWGEPZSA-N 3 2 325.457 -1.378 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802687 794183995 /nfs/dbraw/zinc/18/39/95/794183995.db2.gz AEIIOSFMGANRGE-JSGCOSHPSA-N 3 2 325.457 -1.378 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802688 794183975 /nfs/dbraw/zinc/18/39/75/794183975.db2.gz AEIIOSFMGANRGE-OCCSQVGLSA-N 3 2 325.457 -1.378 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802689 794184286 /nfs/dbraw/zinc/18/42/86/794184286.db2.gz AEIIOSFMGANRGE-TZMCWYRMSA-N 3 2 325.457 -1.378 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]Cc2ccnn21 ZINC001219803767 794184419 /nfs/dbraw/zinc/18/44/19/794184419.db2.gz YJQGTSNTIXBKAF-CYBMUJFWSA-N 2 2 343.391 -1.106 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001219803776 794184369 /nfs/dbraw/zinc/18/43/69/794184369.db2.gz YJQGTSNTIXBKAF-ZDUSSCGKSA-N 2 2 343.391 -1.106 20 0 EAADLP Cn1cncc1C[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219803877 794184808 /nfs/dbraw/zinc/18/48/08/794184808.db2.gz ZWNANCCHYRGYDL-ZDUSSCGKSA-N 2 2 345.407 -1.344 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804180 794184664 /nfs/dbraw/zinc/18/46/64/794184664.db2.gz OSRNHUPDHHTTEF-IPYPFGDCSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804180 794184662 /nfs/dbraw/zinc/18/46/62/794184662.db2.gz OSRNHUPDHHTTEF-IPYPFGDCSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804181 794184550 /nfs/dbraw/zinc/18/45/50/794184550.db2.gz OSRNHUPDHHTTEF-VNHYZAJKSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804181 794184548 /nfs/dbraw/zinc/18/45/48/794184548.db2.gz OSRNHUPDHHTTEF-VNHYZAJKSA-N 2 2 326.441 -1.034 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001219804415 794183863 /nfs/dbraw/zinc/18/38/63/794183863.db2.gz VJJJLLCFLPTQRR-HZSPNIEDSA-N 2 2 339.440 -1.487 20 0 EAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001219804415 794183857 /nfs/dbraw/zinc/18/38/57/794183857.db2.gz VJJJLLCFLPTQRR-HZSPNIEDSA-N 2 2 339.440 -1.487 20 0 EAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001219804416 794184075 /nfs/dbraw/zinc/18/40/75/794184075.db2.gz VJJJLLCFLPTQRR-RDBSUJKOSA-N 2 2 339.440 -1.487 20 0 EAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C1CC1 ZINC001219804416 794184068 /nfs/dbraw/zinc/18/40/68/794184068.db2.gz VJJJLLCFLPTQRR-RDBSUJKOSA-N 2 2 339.440 -1.487 20 0 EAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805600 794186538 /nfs/dbraw/zinc/18/65/38/794186538.db2.gz AIMZOPJIKAMHBJ-NSHDSACASA-N 2 2 337.380 -1.367 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219806120 794186010 /nfs/dbraw/zinc/18/60/10/794186010.db2.gz KSHBBSZSVKYDSY-BDJLRTHQSA-N 2 2 332.408 -1.696 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219806121 794185725 /nfs/dbraw/zinc/18/57/25/794185725.db2.gz KSHBBSZSVKYDSY-BZNIZROVSA-N 2 2 332.408 -1.696 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219806122 794186265 /nfs/dbraw/zinc/18/62/65/794186265.db2.gz KSHBBSZSVKYDSY-MEDUHNTESA-N 2 2 332.408 -1.696 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219806123 794186600 /nfs/dbraw/zinc/18/66/00/794186600.db2.gz KSHBBSZSVKYDSY-ZBEGNZNMSA-N 2 2 332.408 -1.696 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219806281 794185754 /nfs/dbraw/zinc/18/57/54/794185754.db2.gz QEKLGNIHRDSNIH-GFCCVEGCSA-N 3 2 332.408 -1.838 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219806282 794185968 /nfs/dbraw/zinc/18/59/68/794185968.db2.gz QEKLGNIHRDSNIH-LBPRGKRZSA-N 3 2 332.408 -1.838 20 0 EAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806368 794186666 /nfs/dbraw/zinc/18/66/66/794186666.db2.gz TXMAZZCXZJQZHQ-LBPRGKRZSA-N 2 2 348.407 -1.698 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1ncn2c1C[NH2+]CC2 ZINC001219809119 794185891 /nfs/dbraw/zinc/18/58/91/794185891.db2.gz DUJHTLYGZKSWSR-UHFFFAOYSA-N 2 2 343.391 -1.034 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1nnn2c1C[NH2+]CC2 ZINC001219809133 794186575 /nfs/dbraw/zinc/18/65/75/794186575.db2.gz FFAYMQKFQQXGON-UHFFFAOYSA-N 2 2 344.379 -1.639 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1cnn2c1C[NH2+]CC2 ZINC001219809830 794186092 /nfs/dbraw/zinc/18/60/92/794186092.db2.gz SBNXROHTDBUOFV-UHFFFAOYSA-N 2 2 343.391 -1.034 20 0 EAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1cc2n(n1)CC[NH2+]C2 ZINC001219809977 794185711 /nfs/dbraw/zinc/18/57/11/794185711.db2.gz XXLKWDQPVLWQPN-UHFFFAOYSA-N 2 2 343.391 -1.034 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813712 794188322 /nfs/dbraw/zinc/18/83/22/794188322.db2.gz AMCCJKNPBYESGP-KGLIPLIRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813712 794188317 /nfs/dbraw/zinc/18/83/17/794188317.db2.gz AMCCJKNPBYESGP-KGLIPLIRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813712 794188313 /nfs/dbraw/zinc/18/83/13/794188313.db2.gz AMCCJKNPBYESGP-KGLIPLIRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813712 794188310 /nfs/dbraw/zinc/18/83/10/794188310.db2.gz AMCCJKNPBYESGP-KGLIPLIRSA-N 2 2 339.440 -1.343 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813719 794187453 /nfs/dbraw/zinc/18/74/53/794187453.db2.gz AWXZUGOLZLYBRC-AGIUHOORSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813719 794187449 /nfs/dbraw/zinc/18/74/49/794187449.db2.gz AWXZUGOLZLYBRC-AGIUHOORSA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813719 794187442 /nfs/dbraw/zinc/18/74/42/794187442.db2.gz AWXZUGOLZLYBRC-AGIUHOORSA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813719 794187435 /nfs/dbraw/zinc/18/74/35/794187435.db2.gz AWXZUGOLZLYBRC-AGIUHOORSA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813720 794187240 /nfs/dbraw/zinc/18/72/40/794187240.db2.gz AWXZUGOLZLYBRC-UPJWGTAASA-N 2 2 338.408 -1.563 20 0 EAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813720 794187238 /nfs/dbraw/zinc/18/72/38/794187238.db2.gz AWXZUGOLZLYBRC-UPJWGTAASA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813720 794187233 /nfs/dbraw/zinc/18/72/33/794187233.db2.gz AWXZUGOLZLYBRC-UPJWGTAASA-N 2 2 338.408 -1.563 20 0 EAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)C1CCC1 ZINC001219813720 794187231 /nfs/dbraw/zinc/18/72/31/794187231.db2.gz AWXZUGOLZLYBRC-UPJWGTAASA-N 2 2 338.408 -1.563 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815964 794187531 /nfs/dbraw/zinc/18/75/31/794187531.db2.gz SVWLVBJNCHEQLH-JLLWLGSASA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815964 794187523 /nfs/dbraw/zinc/18/75/23/794187523.db2.gz SVWLVBJNCHEQLH-JLLWLGSASA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815964 794187513 /nfs/dbraw/zinc/18/75/13/794187513.db2.gz SVWLVBJNCHEQLH-JLLWLGSASA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815964 794187505 /nfs/dbraw/zinc/18/75/05/794187505.db2.gz SVWLVBJNCHEQLH-JLLWLGSASA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815965 794188251 /nfs/dbraw/zinc/18/82/51/794188251.db2.gz SVWLVBJNCHEQLH-WCQGTBRESA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815965 794188248 /nfs/dbraw/zinc/18/82/48/794188248.db2.gz SVWLVBJNCHEQLH-WCQGTBRESA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815965 794188243 /nfs/dbraw/zinc/18/82/43/794188243.db2.gz SVWLVBJNCHEQLH-WCQGTBRESA-N 2 2 341.412 -1.785 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815965 794188239 /nfs/dbraw/zinc/18/82/39/794188239.db2.gz SVWLVBJNCHEQLH-WCQGTBRESA-N 2 2 341.412 -1.785 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833618 794192103 /nfs/dbraw/zinc/19/21/03/794192103.db2.gz FPIVJLAUTLUPNH-GBIKHYSHSA-N 2 2 325.373 -2.419 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833619 794192490 /nfs/dbraw/zinc/19/24/90/794192490.db2.gz FPIVJLAUTLUPNH-KWBADKCTSA-N 2 2 325.373 -2.419 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833620 794192224 /nfs/dbraw/zinc/19/22/24/794192224.db2.gz FPIVJLAUTLUPNH-NRUUGDAUSA-N 2 2 325.373 -2.419 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833621 794192556 /nfs/dbraw/zinc/19/25/56/794192556.db2.gz FPIVJLAUTLUPNH-OUJBWJOFSA-N 2 2 325.373 -2.419 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834045 794192395 /nfs/dbraw/zinc/19/23/95/794192395.db2.gz NTAOSEDSTSTTDD-DOMZBBRYSA-N 2 2 326.397 -2.071 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834046 794192200 /nfs/dbraw/zinc/19/22/00/794192200.db2.gz NTAOSEDSTSTTDD-IUODEOHRSA-N 2 2 326.397 -2.071 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834047 794192071 /nfs/dbraw/zinc/19/20/71/794192071.db2.gz NTAOSEDSTSTTDD-SWLSCSKDSA-N 2 2 326.397 -2.071 20 0 EAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834048 794192204 /nfs/dbraw/zinc/19/22/04/794192204.db2.gz NTAOSEDSTSTTDD-WFASDCNBSA-N 2 2 326.397 -2.071 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834940 794192338 /nfs/dbraw/zinc/19/23/38/794192338.db2.gz VHJXMEYFFTZVFW-DUVNUKRYSA-N 3 2 337.424 -1.199 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834941 794192605 /nfs/dbraw/zinc/19/26/05/794192605.db2.gz VHJXMEYFFTZVFW-INWMFGNUSA-N 3 2 337.424 -1.199 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834942 794192196 /nfs/dbraw/zinc/19/21/96/794192196.db2.gz VHJXMEYFFTZVFW-IVMMDQJWSA-N 3 2 337.424 -1.199 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834943 794192269 /nfs/dbraw/zinc/19/22/69/794192269.db2.gz VHJXMEYFFTZVFW-NOLJZWGESA-N 3 2 337.424 -1.199 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001219842514 794193990 /nfs/dbraw/zinc/19/39/90/794193990.db2.gz PZEVICUJZBHJFY-IPYPFGDCSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001219842514 794193981 /nfs/dbraw/zinc/19/39/81/794193981.db2.gz PZEVICUJZBHJFY-IPYPFGDCSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219847064 794195847 /nfs/dbraw/zinc/19/58/47/794195847.db2.gz QLCOHKHGDNYUDO-RDBSUJKOSA-N 2 2 341.456 -1.241 20 0 EAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219847064 794195842 /nfs/dbraw/zinc/19/58/42/794195842.db2.gz QLCOHKHGDNYUDO-RDBSUJKOSA-N 2 2 341.456 -1.241 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852381 794197817 /nfs/dbraw/zinc/19/78/17/794197817.db2.gz QQLBDKMLVAOGGL-CYUUQNCZSA-N 3 2 325.457 -1.523 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852385 794197958 /nfs/dbraw/zinc/19/79/58/794197958.db2.gz QQLBDKMLVAOGGL-SPWCGHHHSA-N 3 2 325.457 -1.523 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)O1 ZINC001219867637 794201874 /nfs/dbraw/zinc/20/18/74/794201874.db2.gz RAPMKFFJFVHLOM-YIYPIFLZSA-N 2 2 331.413 -2.124 20 0 EAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)O1 ZINC001219867637 794201871 /nfs/dbraw/zinc/20/18/71/794201871.db2.gz RAPMKFFJFVHLOM-YIYPIFLZSA-N 2 2 331.413 -2.124 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)O1 ZINC001219867637 794201866 /nfs/dbraw/zinc/20/18/66/794201866.db2.gz RAPMKFFJFVHLOM-YIYPIFLZSA-N 2 2 331.413 -2.124 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)O1 ZINC001219867637 794201864 /nfs/dbraw/zinc/20/18/64/794201864.db2.gz RAPMKFFJFVHLOM-YIYPIFLZSA-N 2 2 331.413 -2.124 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867856 794202540 /nfs/dbraw/zinc/20/25/40/794202540.db2.gz SRPAHVMIWIHIGR-APIJFGDWSA-N 2 2 345.440 -1.470 20 0 EAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867856 794202532 /nfs/dbraw/zinc/20/25/32/794202532.db2.gz SRPAHVMIWIHIGR-APIJFGDWSA-N 2 2 345.440 -1.470 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867856 794202525 /nfs/dbraw/zinc/20/25/25/794202525.db2.gz SRPAHVMIWIHIGR-APIJFGDWSA-N 2 2 345.440 -1.470 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867856 794202517 /nfs/dbraw/zinc/20/25/17/794202517.db2.gz SRPAHVMIWIHIGR-APIJFGDWSA-N 2 2 345.440 -1.470 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869290 794202631 /nfs/dbraw/zinc/20/26/31/794202631.db2.gz JDGBFJGOMMJBDO-UPJWGTAASA-N 2 2 340.424 -1.363 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869290 794202623 /nfs/dbraw/zinc/20/26/23/794202623.db2.gz JDGBFJGOMMJBDO-UPJWGTAASA-N 2 2 340.424 -1.363 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869930 794201952 /nfs/dbraw/zinc/20/19/52/794201952.db2.gz VRZRHBUZLWXNGI-UTUOFQBUSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219869930 794201945 /nfs/dbraw/zinc/20/19/45/794201945.db2.gz VRZRHBUZLWXNGI-UTUOFQBUSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219874947 794201977 /nfs/dbraw/zinc/20/19/77/794201977.db2.gz KKYHENOWDDLSKZ-UPJWGTAASA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219874947 794201970 /nfs/dbraw/zinc/20/19/70/794201970.db2.gz KKYHENOWDDLSKZ-UPJWGTAASA-N 2 2 327.429 -1.487 20 0 EAADLP Cn1cc2c(n1)[C@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)OCC2 ZINC001219887168 794204851 /nfs/dbraw/zinc/20/48/51/794204851.db2.gz AHJCYFSSTKSVRH-KBPBESRZSA-N 2 2 336.440 -1.100 20 0 EAADLP Cn1cc2c(n1)[C@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)OCC2 ZINC001219887169 794204793 /nfs/dbraw/zinc/20/47/93/794204793.db2.gz AHJCYFSSTKSVRH-KGLIPLIRSA-N 2 2 336.440 -1.100 20 0 EAADLP Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)OCC2 ZINC001219887170 794204881 /nfs/dbraw/zinc/20/48/81/794204881.db2.gz AHJCYFSSTKSVRH-UONOGXRCSA-N 2 2 336.440 -1.100 20 0 EAADLP Cn1cc2c(n1)[C@@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)OCC2 ZINC001219887171 794205538 /nfs/dbraw/zinc/20/55/38/794205538.db2.gz AHJCYFSSTKSVRH-ZIAGYGMSSA-N 2 2 336.440 -1.100 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001219894291 794208567 /nfs/dbraw/zinc/20/85/67/794208567.db2.gz YOGTXRFEBQGHDB-CFVMTHIKSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001219894291 794208557 /nfs/dbraw/zinc/20/85/57/794208557.db2.gz YOGTXRFEBQGHDB-CFVMTHIKSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001219894292 794208456 /nfs/dbraw/zinc/20/84/56/794208456.db2.gz YOGTXRFEBQGHDB-YUELXQCFSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001219894292 794208452 /nfs/dbraw/zinc/20/84/52/794208452.db2.gz YOGTXRFEBQGHDB-YUELXQCFSA-N 2 2 338.408 -1.384 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219902986 794210351 /nfs/dbraw/zinc/21/03/51/794210351.db2.gz OXXDCFOPFMUAEB-OLZOCXBDSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001219902986 794210337 /nfs/dbraw/zinc/21/03/37/794210337.db2.gz OXXDCFOPFMUAEB-OLZOCXBDSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001219902986 794210332 /nfs/dbraw/zinc/21/03/32/794210332.db2.gz OXXDCFOPFMUAEB-OLZOCXBDSA-N 2 2 341.456 -1.097 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903300 794210443 /nfs/dbraw/zinc/21/04/43/794210443.db2.gz XRANHRPCKMVZMF-UTUOFQBUSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903300 794210435 /nfs/dbraw/zinc/21/04/35/794210435.db2.gz XRANHRPCKMVZMF-UTUOFQBUSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903300 794210431 /nfs/dbraw/zinc/21/04/31/794210431.db2.gz XRANHRPCKMVZMF-UTUOFQBUSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903301 794209693 /nfs/dbraw/zinc/20/96/93/794209693.db2.gz XRANHRPCKMVZMF-WOPDTQHZSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903301 794209677 /nfs/dbraw/zinc/20/96/77/794209677.db2.gz XRANHRPCKMVZMF-WOPDTQHZSA-N 2 2 340.424 -1.317 20 0 EAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903301 794209671 /nfs/dbraw/zinc/20/96/71/794209671.db2.gz XRANHRPCKMVZMF-WOPDTQHZSA-N 2 2 340.424 -1.317 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001219908319 794209270 /nfs/dbraw/zinc/20/92/70/794209270.db2.gz AKQFNOHCBZAHKT-CFVMTHIKSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001219908319 794209264 /nfs/dbraw/zinc/20/92/64/794209264.db2.gz AKQFNOHCBZAHKT-CFVMTHIKSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001219908320 794210172 /nfs/dbraw/zinc/21/01/72/794210172.db2.gz AKQFNOHCBZAHKT-YUELXQCFSA-N 2 2 338.408 -1.384 20 0 EAADLP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001219908320 794210166 /nfs/dbraw/zinc/21/01/66/794210166.db2.gz AKQFNOHCBZAHKT-YUELXQCFSA-N 2 2 338.408 -1.384 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910716 794209289 /nfs/dbraw/zinc/20/92/89/794209289.db2.gz PPWYAZKQGWHAEW-ILXRZTDVSA-N 2 2 347.419 -1.042 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910716 794209285 /nfs/dbraw/zinc/20/92/85/794209285.db2.gz PPWYAZKQGWHAEW-ILXRZTDVSA-N 2 2 347.419 -1.042 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910717 794210132 /nfs/dbraw/zinc/21/01/32/794210132.db2.gz PPWYAZKQGWHAEW-KFWWJZLASA-N 2 2 347.419 -1.042 20 0 EAADLP CN(CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910717 794210125 /nfs/dbraw/zinc/21/01/25/794210125.db2.gz PPWYAZKQGWHAEW-KFWWJZLASA-N 2 2 347.419 -1.042 20 0 EAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919854 794211995 /nfs/dbraw/zinc/21/19/95/794211995.db2.gz QGNCOHLOQAJNBS-BNOWGMLFSA-N 2 2 335.408 -1.057 20 0 EAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919854 794211987 /nfs/dbraw/zinc/21/19/87/794211987.db2.gz QGNCOHLOQAJNBS-BNOWGMLFSA-N 2 2 335.408 -1.057 20 0 EAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919855 794211321 /nfs/dbraw/zinc/21/13/21/794211321.db2.gz QGNCOHLOQAJNBS-YUTCNCBUSA-N 2 2 335.408 -1.057 20 0 EAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919855 794211317 /nfs/dbraw/zinc/21/13/17/794211317.db2.gz QGNCOHLOQAJNBS-YUTCNCBUSA-N 2 2 335.408 -1.057 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921928 794211949 /nfs/dbraw/zinc/21/19/49/794211949.db2.gz XDKGVTDVOAXBDR-GDLCADMTSA-N 2 2 342.396 -1.482 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921928 794211942 /nfs/dbraw/zinc/21/19/42/794211942.db2.gz XDKGVTDVOAXBDR-GDLCADMTSA-N 2 2 342.396 -1.482 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921929 794211204 /nfs/dbraw/zinc/21/12/04/794211204.db2.gz XDKGVTDVOAXBDR-HONMWMINSA-N 2 2 342.396 -1.482 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921929 794211199 /nfs/dbraw/zinc/21/11/99/794211199.db2.gz XDKGVTDVOAXBDR-HONMWMINSA-N 2 2 342.396 -1.482 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1ccncc1 ZINC001219938996 794216611 /nfs/dbraw/zinc/21/66/11/794216611.db2.gz NKPQHXPQTPCBMI-AWEZNQCLSA-N 2 2 334.424 -1.322 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1ccncc1 ZINC001219938997 794216312 /nfs/dbraw/zinc/21/63/12/794216312.db2.gz NKPQHXPQTPCBMI-CQSZACIVSA-N 2 2 334.424 -1.322 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C[NH2+]1 ZINC001219965151 794222653 /nfs/dbraw/zinc/22/26/53/794222653.db2.gz DGAACZHSQSHHOI-USZNOCQGSA-N 2 2 328.413 -1.116 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001219965283 794222361 /nfs/dbraw/zinc/22/23/61/794222361.db2.gz HSHQDZZHUDEHMG-VOAKCMCISA-N 2 2 338.408 -1.251 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001219965409 794222587 /nfs/dbraw/zinc/22/25/87/794222587.db2.gz MKDUASSIOAZYPD-AGIUHOORSA-N 2 2 334.376 -1.325 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965452 794222392 /nfs/dbraw/zinc/22/23/92/794222392.db2.gz OHPVUGUYUDEVCR-UTUOFQBUSA-N 2 2 348.407 -1.451 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965453 794222350 /nfs/dbraw/zinc/22/23/50/794222350.db2.gz OHPVUGUYUDEVCR-WOPDTQHZSA-N 2 2 348.407 -1.451 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965460 794222960 /nfs/dbraw/zinc/22/29/60/794222960.db2.gz ONWGIPSKHBRSRN-MXWKQRLJSA-N 2 2 349.395 -2.056 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965461 794222691 /nfs/dbraw/zinc/22/26/91/794222691.db2.gz ONWGIPSKHBRSRN-VWYCJHECSA-N 2 2 349.395 -2.056 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001219965562 794223243 /nfs/dbraw/zinc/22/32/43/794223243.db2.gz RSPCMACRKSRBRQ-BBBLOLIVSA-N 2 2 331.394 -2.217 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001219965563 794223659 /nfs/dbraw/zinc/22/36/59/794223659.db2.gz RSPCMACRKSRBRQ-UTLUCORTSA-N 2 2 331.394 -2.217 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001219965633 794223055 /nfs/dbraw/zinc/22/30/55/794223055.db2.gz VIQVIUMIXSHIPL-AGIUHOORSA-N 3 2 340.424 -1.541 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001219965633 794223053 /nfs/dbraw/zinc/22/30/53/794223053.db2.gz VIQVIUMIXSHIPL-AGIUHOORSA-N 3 2 340.424 -1.541 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001219965634 794223645 /nfs/dbraw/zinc/22/36/45/794223645.db2.gz VIQVIUMIXSHIPL-FRRDWIJNSA-N 3 2 340.424 -1.541 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001219965634 794223640 /nfs/dbraw/zinc/22/36/40/794223640.db2.gz VIQVIUMIXSHIPL-FRRDWIJNSA-N 3 2 340.424 -1.541 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001219967580 794223201 /nfs/dbraw/zinc/22/32/01/794223201.db2.gz AWSHEDKOYIJIFB-RDBSUJKOSA-N 2 2 348.403 -1.308 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C[NH2+]1 ZINC001219967905 794223359 /nfs/dbraw/zinc/22/33/59/794223359.db2.gz OCOGMLRHTHWPAX-VLEAKVRGSA-N 2 2 342.396 -1.683 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[NH2+]1 ZINC001219967969 794222917 /nfs/dbraw/zinc/22/29/17/794222917.db2.gz QVHIQSMQXPJEPS-VWYCJHECSA-N 2 2 344.412 -1.735 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[NH2+]1 ZINC001219968056 794223669 /nfs/dbraw/zinc/22/36/69/794223669.db2.gz UFHJZAZWQTZDEJ-KZVJFYERSA-N 2 2 329.357 -3.287 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[NH2+]1 ZINC001219968069 794222672 /nfs/dbraw/zinc/22/26/72/794222672.db2.gz UUTNLKHFNQCESJ-MNOVXSKESA-N 2 2 334.380 -1.481 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])C[NH2+]1 ZINC001219968125 794222459 /nfs/dbraw/zinc/22/24/59/794222459.db2.gz WOCMFRFKAGRWOT-RDBSUJKOSA-N 2 2 348.403 -1.308 20 0 EAADLP CCn1c(N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(=O)n(CC)c1=O ZINC001219972051 794224598 /nfs/dbraw/zinc/22/45/98/794224598.db2.gz ICNKZHKEZMRMOO-JTQLQIEISA-N 2 2 349.395 -1.126 20 0 EAADLP CCn1c(N)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=O)n(CC)c1=O ZINC001219972103 794224424 /nfs/dbraw/zinc/22/44/24/794224424.db2.gz JZLYCARPILLFHL-SECBINFHSA-N 2 2 335.368 -1.136 20 0 EAADLP CCn1c(N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=O)n(CC)c1=O ZINC001219972104 794224953 /nfs/dbraw/zinc/22/49/53/794224953.db2.gz JZLYCARPILLFHL-VIFPVBQESA-N 2 2 335.368 -1.136 20 0 EAADLP CCn1c(N)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(=O)n(CC)c1=O ZINC001219972620 794224191 /nfs/dbraw/zinc/22/41/91/794224191.db2.gz SFCDSAJLIWTNSH-UHFFFAOYSA-N 2 2 338.412 -1.088 20 0 EAADLP CCn1c(N)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=O)n(CC)c1=O ZINC001219972723 794224818 /nfs/dbraw/zinc/22/48/18/794224818.db2.gz UYHDVIGYHWGHAT-XWRVAKJBSA-N 2 2 336.396 -1.208 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)NC1(C(=O)OC)CC[NH2+]CC1)C[NH2+]C2 ZINC001219998801 794226997 /nfs/dbraw/zinc/22/69/97/794226997.db2.gz CCXMDKZSISLJGQ-JTQLQIEISA-N 2 2 336.396 -1.104 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)NC1(C(=O)OC)CC[NH2+]CC1)C[NH2+]C2 ZINC001219998802 794226683 /nfs/dbraw/zinc/22/66/83/794226683.db2.gz CCXMDKZSISLJGQ-SNVBAGLBSA-N 2 2 336.396 -1.104 20 0 EAADLP COC(=O)[C@H]1C[C@H](C(=O)NC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001220001125 794229134 /nfs/dbraw/zinc/22/91/34/794229134.db2.gz IBHJZLIIAOEEPU-GHMZBOCLSA-N 2 2 327.381 -1.061 20 0 EAADLP COC(=O)[C@@H]1C[C@H](C(=O)NC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001220001126 794229272 /nfs/dbraw/zinc/22/92/72/794229272.db2.gz IBHJZLIIAOEEPU-MNOVXSKESA-N 2 2 327.381 -1.061 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](C(=O)NC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001220001127 794229048 /nfs/dbraw/zinc/22/90/48/794229048.db2.gz IBHJZLIIAOEEPU-QWRGUYRKSA-N 2 2 327.381 -1.061 20 0 EAADLP COC(=O)[C@H]1C[C@@H](C(=O)NC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001220001128 794228452 /nfs/dbraw/zinc/22/84/52/794228452.db2.gz IBHJZLIIAOEEPU-WDEREUQCSA-N 2 2 327.381 -1.061 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220011524 794230492 /nfs/dbraw/zinc/23/04/92/794230492.db2.gz VLCDMRSOAZTOIS-KGLIPLIRSA-N 2 2 335.408 -1.121 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220011524 794230486 /nfs/dbraw/zinc/23/04/86/794230486.db2.gz VLCDMRSOAZTOIS-KGLIPLIRSA-N 2 2 335.408 -1.121 20 0 EAADLP C[NH+]1CC(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001220012785 794230217 /nfs/dbraw/zinc/23/02/17/794230217.db2.gz BYWFZANVWXUDHR-KBPBESRZSA-N 2 2 336.392 -1.831 20 0 EAADLP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)COC1 ZINC001220020406 794230708 /nfs/dbraw/zinc/23/07/08/794230708.db2.gz HLZBCJFHKBHMCG-LBPRGKRZSA-N 2 2 331.380 -1.174 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053534 794236053 /nfs/dbraw/zinc/23/60/53/794236053.db2.gz SGNHDVYDEFEREI-UPJWGTAASA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053534 794236046 /nfs/dbraw/zinc/23/60/46/794236046.db2.gz SGNHDVYDEFEREI-UPJWGTAASA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053535 794235701 /nfs/dbraw/zinc/23/57/01/794235701.db2.gz SGNHDVYDEFEREI-XQQFMLRXSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053535 794235694 /nfs/dbraw/zinc/23/56/94/794235694.db2.gz SGNHDVYDEFEREI-XQQFMLRXSA-N 2 2 326.397 -1.479 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066047 794236355 /nfs/dbraw/zinc/23/63/55/794236355.db2.gz OOKHNERNABRGLD-LLVKDONJSA-N 2 2 336.396 -1.027 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066048 794237731 /nfs/dbraw/zinc/23/77/31/794237731.db2.gz OOKHNERNABRGLD-NSHDSACASA-N 2 2 336.396 -1.027 20 0 EAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)NCC(=O)OCc2ccccc2)C1 ZINC001220104739 794244146 /nfs/dbraw/zinc/24/41/46/794244146.db2.gz LMRIKPVTYLQABO-OLZOCXBDSA-N 2 2 334.376 -1.349 20 0 EAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCC(=O)NCC(=O)OCc2ccccc2)C1 ZINC001220104740 794243582 /nfs/dbraw/zinc/24/35/82/794243582.db2.gz LMRIKPVTYLQABO-STQMWFEESA-N 2 2 334.376 -1.349 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220105918 794244887 /nfs/dbraw/zinc/24/48/87/794244887.db2.gz RTGRAGMFHMCZLL-KFWWJZLASA-N 2 2 348.407 -1.308 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220105918 794244881 /nfs/dbraw/zinc/24/48/81/794244881.db2.gz RTGRAGMFHMCZLL-KFWWJZLASA-N 2 2 348.407 -1.308 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220105919 794244945 /nfs/dbraw/zinc/24/49/45/794244945.db2.gz RTGRAGMFHMCZLL-ZNMIVQPWSA-N 2 2 348.407 -1.308 20 0 EAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220105919 794244941 /nfs/dbraw/zinc/24/49/41/794244941.db2.gz RTGRAGMFHMCZLL-ZNMIVQPWSA-N 2 2 348.407 -1.308 20 0 EAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106444 794245796 /nfs/dbraw/zinc/24/57/96/794245796.db2.gz NHUZOUQIGPGLAZ-STQMWFEESA-N 2 2 334.376 -1.491 20 0 EAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220186448 794258426 /nfs/dbraw/zinc/25/84/26/794258426.db2.gz QFOMLZHTSXGVPY-SECBINFHSA-N 2 2 328.385 -1.432 20 0 EAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220186450 794259072 /nfs/dbraw/zinc/25/90/72/794259072.db2.gz QFOMLZHTSXGVPY-VIFPVBQESA-N 2 2 328.385 -1.432 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188589 794258564 /nfs/dbraw/zinc/25/85/64/794258564.db2.gz FKFQUYYDYXPSJT-CIUDSAMLSA-N 2 2 335.355 -1.945 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188591 794258516 /nfs/dbraw/zinc/25/85/16/794258516.db2.gz FKFQUYYDYXPSJT-YIZRAAEISA-N 2 2 335.355 -1.945 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F)C(N)=O ZINC001220189816 794259081 /nfs/dbraw/zinc/25/90/81/794259081.db2.gz WFUWWPSBPNVTPP-IVZWLZJFSA-N 2 2 349.382 -1.555 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C(N)=O ZINC001220189817 794258604 /nfs/dbraw/zinc/25/86/04/794258604.db2.gz WFUWWPSBPNVTPP-LPEHRKFASA-N 2 2 349.382 -1.555 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197471 794257866 /nfs/dbraw/zinc/25/78/66/794257866.db2.gz FOUUSUMQJVPDEJ-QWRGUYRKSA-N 2 2 341.412 -2.325 20 0 EAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197527 794258891 /nfs/dbraw/zinc/25/88/91/794258891.db2.gz IIFBZESDQYVCJQ-AWEZNQCLSA-N 3 2 325.457 -1.282 20 0 EAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197528 794258248 /nfs/dbraw/zinc/25/82/48/794258248.db2.gz IIFBZESDQYVCJQ-CQSZACIVSA-N 3 2 325.457 -1.282 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220216392 794262309 /nfs/dbraw/zinc/26/23/09/794262309.db2.gz GRKCMLVXAMCFBC-ILXRZTDVSA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220216392 794262304 /nfs/dbraw/zinc/26/23/04/794262304.db2.gz GRKCMLVXAMCFBC-ILXRZTDVSA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220216392 794262297 /nfs/dbraw/zinc/26/22/97/794262297.db2.gz GRKCMLVXAMCFBC-ILXRZTDVSA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220216392 794262290 /nfs/dbraw/zinc/26/22/90/794262290.db2.gz GRKCMLVXAMCFBC-ILXRZTDVSA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220216393 794262403 /nfs/dbraw/zinc/26/24/03/794262403.db2.gz GRKCMLVXAMCFBC-QLFBSQMISA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220216393 794262399 /nfs/dbraw/zinc/26/23/99/794262399.db2.gz GRKCMLVXAMCFBC-QLFBSQMISA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220216393 794262392 /nfs/dbraw/zinc/26/23/92/794262392.db2.gz GRKCMLVXAMCFBC-QLFBSQMISA-N 2 2 345.440 -1.734 20 0 EAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220216393 794262389 /nfs/dbraw/zinc/26/23/89/794262389.db2.gz GRKCMLVXAMCFBC-QLFBSQMISA-N 2 2 345.440 -1.734 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229260 794263833 /nfs/dbraw/zinc/26/38/33/794263833.db2.gz VBPQFHGCQIRJDO-OLZOCXBDSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229260 794263829 /nfs/dbraw/zinc/26/38/29/794263829.db2.gz VBPQFHGCQIRJDO-OLZOCXBDSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001220230693 794264626 /nfs/dbraw/zinc/26/46/26/794264626.db2.gz OQENPBVTJRZASQ-UTUOFQBUSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001220230693 794264621 /nfs/dbraw/zinc/26/46/21/794264621.db2.gz OQENPBVTJRZASQ-UTUOFQBUSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001220230694 794265358 /nfs/dbraw/zinc/26/53/58/794265358.db2.gz OQENPBVTJRZASQ-WOPDTQHZSA-N 2 2 338.408 -1.705 20 0 EAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001220230694 794265351 /nfs/dbraw/zinc/26/53/51/794265351.db2.gz OQENPBVTJRZASQ-WOPDTQHZSA-N 2 2 338.408 -1.705 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231069 794264591 /nfs/dbraw/zinc/26/45/91/794264591.db2.gz YUYJOGVFQQMOIP-UPJWGTAASA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231069 794264586 /nfs/dbraw/zinc/26/45/86/794264586.db2.gz YUYJOGVFQQMOIP-UPJWGTAASA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231070 794265442 /nfs/dbraw/zinc/26/54/42/794265442.db2.gz YUYJOGVFQQMOIP-XQQFMLRXSA-N 2 2 326.441 -1.034 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231070 794265437 /nfs/dbraw/zinc/26/54/37/794265437.db2.gz YUYJOGVFQQMOIP-XQQFMLRXSA-N 2 2 326.441 -1.034 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220232311 794264612 /nfs/dbraw/zinc/26/46/12/794264612.db2.gz OZBLBLVSGUGHLU-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220232311 794264609 /nfs/dbraw/zinc/26/46/09/794264609.db2.gz OZBLBLVSGUGHLU-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234051 794265305 /nfs/dbraw/zinc/26/53/05/794265305.db2.gz RVOKUSDADCMZDV-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234051 794265296 /nfs/dbraw/zinc/26/52/96/794265296.db2.gz RVOKUSDADCMZDV-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234052 794265428 /nfs/dbraw/zinc/26/54/28/794265428.db2.gz RVOKUSDADCMZDV-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234052 794265423 /nfs/dbraw/zinc/26/54/23/794265423.db2.gz RVOKUSDADCMZDV-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234138 794265589 /nfs/dbraw/zinc/26/55/89/794265589.db2.gz WGPQVKVKRGLJPY-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234138 794265584 /nfs/dbraw/zinc/26/55/84/794265584.db2.gz WGPQVKVKRGLJPY-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234139 794265159 /nfs/dbraw/zinc/26/51/59/794265159.db2.gz WGPQVKVKRGLJPY-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234139 794265154 /nfs/dbraw/zinc/26/51/54/794265154.db2.gz WGPQVKVKRGLJPY-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220236902 794265560 /nfs/dbraw/zinc/26/55/60/794265560.db2.gz JPGWEJNSDABNFQ-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220236902 794265555 /nfs/dbraw/zinc/26/55/55/794265555.db2.gz JPGWEJNSDABNFQ-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220236903 794265463 /nfs/dbraw/zinc/26/54/63/794265463.db2.gz JPGWEJNSDABNFQ-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220236903 794265457 /nfs/dbraw/zinc/26/54/57/794265457.db2.gz JPGWEJNSDABNFQ-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220237256 794264862 /nfs/dbraw/zinc/26/48/62/794264862.db2.gz RMNJNHZPDHXYFB-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220237256 794264857 /nfs/dbraw/zinc/26/48/57/794264857.db2.gz RMNJNHZPDHXYFB-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220237257 794265508 /nfs/dbraw/zinc/26/55/08/794265508.db2.gz RMNJNHZPDHXYFB-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220237257 794265505 /nfs/dbraw/zinc/26/55/05/794265505.db2.gz RMNJNHZPDHXYFB-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220238024 794265196 /nfs/dbraw/zinc/26/51/96/794265196.db2.gz KMRBTRDRYIGBTJ-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220238024 794265188 /nfs/dbraw/zinc/26/51/88/794265188.db2.gz KMRBTRDRYIGBTJ-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251745 794271750 /nfs/dbraw/zinc/27/17/50/794271750.db2.gz DDIHZYCWYMMNRR-UWVGGRQHSA-N 2 2 339.400 -1.426 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268929 794272509 /nfs/dbraw/zinc/27/25/09/794272509.db2.gz LPGJRRLRVJGCQO-KGLIPLIRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268929 794272501 /nfs/dbraw/zinc/27/25/01/794272501.db2.gz LPGJRRLRVJGCQO-KGLIPLIRSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220268968 794273919 /nfs/dbraw/zinc/27/39/19/794273919.db2.gz LWFVKLZUHKWGSP-OLZOCXBDSA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220268968 794273915 /nfs/dbraw/zinc/27/39/15/794273915.db2.gz LWFVKLZUHKWGSP-OLZOCXBDSA-N 2 2 348.469 -1.961 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269366 794272603 /nfs/dbraw/zinc/27/26/03/794272603.db2.gz WLKZMSKIWWHMGN-JLLWLGSASA-N 2 2 341.412 -1.927 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269366 794272596 /nfs/dbraw/zinc/27/25/96/794272596.db2.gz WLKZMSKIWWHMGN-JLLWLGSASA-N 2 2 341.412 -1.927 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269367 794272713 /nfs/dbraw/zinc/27/27/13/794272713.db2.gz WLKZMSKIWWHMGN-WCQGTBRESA-N 2 2 341.412 -1.927 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269367 794272702 /nfs/dbraw/zinc/27/27/02/794272702.db2.gz WLKZMSKIWWHMGN-WCQGTBRESA-N 2 2 341.412 -1.927 20 0 EAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220270297 794273449 /nfs/dbraw/zinc/27/34/49/794273449.db2.gz JNSXDHWVBJNDNV-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220270297 794273443 /nfs/dbraw/zinc/27/34/43/794273443.db2.gz JNSXDHWVBJNDNV-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220270298 794272747 /nfs/dbraw/zinc/27/27/47/794272747.db2.gz JNSXDHWVBJNDNV-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220270298 794272744 /nfs/dbraw/zinc/27/27/44/794272744.db2.gz JNSXDHWVBJNDNV-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271616 794273319 /nfs/dbraw/zinc/27/33/19/794273319.db2.gz BWKOQHNXMWTLEH-KGLIPLIRSA-N 2 2 326.441 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271616 794273316 /nfs/dbraw/zinc/27/33/16/794273316.db2.gz BWKOQHNXMWTLEH-KGLIPLIRSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220271986 794272776 /nfs/dbraw/zinc/27/27/76/794272776.db2.gz NTGHHSZGOBIAGD-OLZOCXBDSA-N 2 2 328.413 -2.042 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220271986 794272770 /nfs/dbraw/zinc/27/27/70/794272770.db2.gz NTGHHSZGOBIAGD-OLZOCXBDSA-N 2 2 328.413 -2.042 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273262 794272897 /nfs/dbraw/zinc/27/28/97/794272897.db2.gz FUOSTAQOBLNIFG-AXFHLTTASA-N 2 2 329.401 -2.057 20 0 EAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273262 794272892 /nfs/dbraw/zinc/27/28/92/794272892.db2.gz FUOSTAQOBLNIFG-AXFHLTTASA-N 2 2 329.401 -2.057 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273263 794273890 /nfs/dbraw/zinc/27/38/90/794273890.db2.gz FUOSTAQOBLNIFG-MXWKQRLJSA-N 2 2 329.401 -2.057 20 0 EAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273263 794273884 /nfs/dbraw/zinc/27/38/84/794273884.db2.gz FUOSTAQOBLNIFG-MXWKQRLJSA-N 2 2 329.401 -2.057 20 0 EAADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273413 794272422 /nfs/dbraw/zinc/27/24/22/794272422.db2.gz KBAMMASUJKNTIJ-MCIONIFRSA-N 2 2 344.456 -1.359 20 0 EAADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273413 794272415 /nfs/dbraw/zinc/27/24/15/794272415.db2.gz KBAMMASUJKNTIJ-MCIONIFRSA-N 2 2 344.456 -1.359 20 0 EAADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273414 794273118 /nfs/dbraw/zinc/27/31/18/794273118.db2.gz KBAMMASUJKNTIJ-MJBXVCDLSA-N 2 2 344.456 -1.359 20 0 EAADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273414 794273113 /nfs/dbraw/zinc/27/31/13/794273113.db2.gz KBAMMASUJKNTIJ-MJBXVCDLSA-N 2 2 344.456 -1.359 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220274851 794272874 /nfs/dbraw/zinc/27/28/74/794272874.db2.gz GQQSDDKTUGBLLI-OLZOCXBDSA-N 2 2 348.469 -1.865 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220274851 794272870 /nfs/dbraw/zinc/27/28/70/794272870.db2.gz GQQSDDKTUGBLLI-OLZOCXBDSA-N 2 2 348.469 -1.865 20 0 EAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220275152 794273435 /nfs/dbraw/zinc/27/34/35/794273435.db2.gz QFNJTNGIJCRAMS-NEPJUHHUSA-N 2 2 336.458 -2.009 20 0 EAADLP CN(CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220275152 794273432 /nfs/dbraw/zinc/27/34/32/794273432.db2.gz QFNJTNGIJCRAMS-NEPJUHHUSA-N 2 2 336.458 -2.009 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O ZINC001220275176 794273071 /nfs/dbraw/zinc/27/30/71/794273071.db2.gz QSOOSCRXKAAEMK-OLZOCXBDSA-N 2 2 348.407 -1.364 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O ZINC001220275176 794273064 /nfs/dbraw/zinc/27/30/64/794273064.db2.gz QSOOSCRXKAAEMK-OLZOCXBDSA-N 2 2 348.407 -1.364 20 0 EAADLP COCCn1c[nH+]cc1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220275209 794273705 /nfs/dbraw/zinc/27/37/05/794273705.db2.gz VKVGXVPCPOVVRA-ONGXEEELSA-N 2 2 340.384 -2.147 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001220275360 794272370 /nfs/dbraw/zinc/27/23/70/794272370.db2.gz VRIQHUPPGZOUAX-KGLIPLIRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001220275360 794272363 /nfs/dbraw/zinc/27/23/63/794272363.db2.gz VRIQHUPPGZOUAX-KGLIPLIRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220275372 794272479 /nfs/dbraw/zinc/27/24/79/794272479.db2.gz WEXGEPQFSLKDGR-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220275372 794272473 /nfs/dbraw/zinc/27/24/73/794272473.db2.gz WEXGEPQFSLKDGR-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220275373 794273547 /nfs/dbraw/zinc/27/35/47/794273547.db2.gz WEXGEPQFSLKDGR-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220275373 794273543 /nfs/dbraw/zinc/27/35/43/794273543.db2.gz WEXGEPQFSLKDGR-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP COCCn1c[nH+]cc1CNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220275473 794273345 /nfs/dbraw/zinc/27/33/45/794273345.db2.gz YXBPGCULTURKKL-UHFFFAOYSA-N 2 2 333.414 -1.634 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220276525 794275060 /nfs/dbraw/zinc/27/50/60/794275060.db2.gz DHAWIFHNWARNHX-UPJWGTAASA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220276525 794275053 /nfs/dbraw/zinc/27/50/53/794275053.db2.gz DHAWIFHNWARNHX-UPJWGTAASA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220276526 794275545 /nfs/dbraw/zinc/27/55/45/794275545.db2.gz DHAWIFHNWARNHX-XQQFMLRXSA-N 2 2 333.454 -1.466 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220276526 794275541 /nfs/dbraw/zinc/27/55/41/794275541.db2.gz DHAWIFHNWARNHX-XQQFMLRXSA-N 2 2 333.454 -1.466 20 0 EAADLP C[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CS(C)(=O)=O ZINC001220276652 794274788 /nfs/dbraw/zinc/27/47/88/794274788.db2.gz GSUAHNWFOWCPEB-UPJWGTAASA-N 2 2 335.470 -1.220 20 0 EAADLP C[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CS(C)(=O)=O ZINC001220276652 794274779 /nfs/dbraw/zinc/27/47/79/794274779.db2.gz GSUAHNWFOWCPEB-UPJWGTAASA-N 2 2 335.470 -1.220 20 0 EAADLP C[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CS(C)(=O)=O ZINC001220276653 794275747 /nfs/dbraw/zinc/27/57/47/794275747.db2.gz GSUAHNWFOWCPEB-XQQFMLRXSA-N 2 2 335.470 -1.220 20 0 EAADLP C[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CS(C)(=O)=O ZINC001220276653 794275740 /nfs/dbraw/zinc/27/57/40/794275740.db2.gz GSUAHNWFOWCPEB-XQQFMLRXSA-N 2 2 335.470 -1.220 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220276936 794275177 /nfs/dbraw/zinc/27/51/77/794275177.db2.gz NSEJWOVNHZRZGQ-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220276936 794275175 /nfs/dbraw/zinc/27/51/75/794275175.db2.gz NSEJWOVNHZRZGQ-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220276937 794274665 /nfs/dbraw/zinc/27/46/65/794274665.db2.gz NSEJWOVNHZRZGQ-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220276937 794274659 /nfs/dbraw/zinc/27/46/59/794274659.db2.gz NSEJWOVNHZRZGQ-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277039 794275792 /nfs/dbraw/zinc/27/57/92/794275792.db2.gz PPUSJTNDTGWLLB-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277039 794275788 /nfs/dbraw/zinc/27/57/88/794275788.db2.gz PPUSJTNDTGWLLB-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220277124 794274921 /nfs/dbraw/zinc/27/49/21/794274921.db2.gz RHMTZZUZVFFVPY-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220277124 794274915 /nfs/dbraw/zinc/27/49/15/794274915.db2.gz RHMTZZUZVFFVPY-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220277125 794275700 /nfs/dbraw/zinc/27/57/00/794275700.db2.gz RHMTZZUZVFFVPY-MJBXVCDLSA-N 2 2 342.440 -1.653 20 0 EAADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220277125 794275696 /nfs/dbraw/zinc/27/56/96/794275696.db2.gz RHMTZZUZVFFVPY-MJBXVCDLSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001220297215 794275830 /nfs/dbraw/zinc/27/58/30/794275830.db2.gz PZEVICUJZBHJFY-VNHYZAJKSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001220297215 794275826 /nfs/dbraw/zinc/27/58/26/794275826.db2.gz PZEVICUJZBHJFY-VNHYZAJKSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220297230 794275481 /nfs/dbraw/zinc/27/54/81/794275481.db2.gz QLCOHKHGDNYUDO-HZSPNIEDSA-N 2 2 341.456 -1.241 20 0 EAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220297230 794275475 /nfs/dbraw/zinc/27/54/75/794275475.db2.gz QLCOHKHGDNYUDO-HZSPNIEDSA-N 2 2 341.456 -1.241 20 0 EAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282401 /nfs/dbraw/zinc/28/24/01/794282401.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282393 /nfs/dbraw/zinc/28/23/93/794282393.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282387 /nfs/dbraw/zinc/28/23/87/794282387.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282380 /nfs/dbraw/zinc/28/23/80/794282380.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282118 /nfs/dbraw/zinc/28/21/18/794282118.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282110 /nfs/dbraw/zinc/28/21/10/794282110.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282105 /nfs/dbraw/zinc/28/21/05/794282105.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282099 /nfs/dbraw/zinc/28/20/99/794282099.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 2 2 329.441 -1.113 20 0 EAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220359636 794282272 /nfs/dbraw/zinc/28/22/72/794282272.db2.gz ROXPXPNJRIJHQM-KGLIPLIRSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220359636 794282270 /nfs/dbraw/zinc/28/22/70/794282270.db2.gz ROXPXPNJRIJHQM-KGLIPLIRSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220359636 794282267 /nfs/dbraw/zinc/28/22/67/794282267.db2.gz ROXPXPNJRIJHQM-KGLIPLIRSA-N 2 2 329.441 -1.112 20 0 EAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220359636 794282263 /nfs/dbraw/zinc/28/22/63/794282263.db2.gz ROXPXPNJRIJHQM-KGLIPLIRSA-N 2 2 329.441 -1.112 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220379939 794286847 /nfs/dbraw/zinc/28/68/47/794286847.db2.gz KKYHENOWDDLSKZ-AGIUHOORSA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220379939 794286839 /nfs/dbraw/zinc/28/68/39/794286839.db2.gz KKYHENOWDDLSKZ-AGIUHOORSA-N 2 2 327.429 -1.487 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220380247 794286592 /nfs/dbraw/zinc/28/65/92/794286592.db2.gz VRZRHBUZLWXNGI-WOPDTQHZSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220380247 794286586 /nfs/dbraw/zinc/28/65/86/794286586.db2.gz VRZRHBUZLWXNGI-WOPDTQHZSA-N 2 2 341.412 -1.960 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220381034 794286190 /nfs/dbraw/zinc/28/61/90/794286190.db2.gz JDGBFJGOMMJBDO-AGIUHOORSA-N 2 2 340.424 -1.363 20 0 EAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220381034 794286176 /nfs/dbraw/zinc/28/61/76/794286176.db2.gz JDGBFJGOMMJBDO-AGIUHOORSA-N 2 2 340.424 -1.363 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220382778 794286308 /nfs/dbraw/zinc/28/63/08/794286308.db2.gz OGHJGBOGISMHHM-BHPKHCPMSA-N 2 2 338.408 -1.306 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220382778 794286303 /nfs/dbraw/zinc/28/63/03/794286303.db2.gz OGHJGBOGISMHHM-BHPKHCPMSA-N 2 2 338.408 -1.306 20 0 EAADLP O=C(NCc1ccc(N2CCOCC2)nn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220389728 794289608 /nfs/dbraw/zinc/28/96/08/794289608.db2.gz CVDZTOWIOTYFGX-BLLLJJGKSA-N 2 2 332.408 -1.119 20 0 EAADLP O=C(NCc1ccc(N2CCOCC2)nn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220389729 794287711 /nfs/dbraw/zinc/28/77/11/794287711.db2.gz CVDZTOWIOTYFGX-LRDDRELGSA-N 2 2 332.408 -1.119 20 0 EAADLP O=C(NCc1ccc(N2CCOCC2)nn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220389730 794288644 /nfs/dbraw/zinc/28/86/44/794288644.db2.gz CVDZTOWIOTYFGX-MLGOLLRUSA-N 2 2 332.408 -1.119 20 0 EAADLP O=C(NCc1ccc(N2CCOCC2)nn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220389731 794288591 /nfs/dbraw/zinc/28/85/91/794288591.db2.gz CVDZTOWIOTYFGX-WBMJQRKESA-N 2 2 332.408 -1.119 20 0 EAADLP O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220389839 794288349 /nfs/dbraw/zinc/28/83/49/794288349.db2.gz FPSWIUUPYSVLCC-FPMFFAJLSA-N 2 2 332.408 -1.121 20 0 EAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220481313 794302241 /nfs/dbraw/zinc/30/22/41/794302241.db2.gz CZQYTIZXRGXPIR-DSJMHWKBSA-N 3 2 343.472 -1.422 20 0 EAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220481314 794302723 /nfs/dbraw/zinc/30/27/23/794302723.db2.gz CZQYTIZXRGXPIR-IXYNUQLISA-N 3 2 343.472 -1.422 20 0 EAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220481315 794302382 /nfs/dbraw/zinc/30/23/82/794302382.db2.gz CZQYTIZXRGXPIR-KQTLUZQSSA-N 3 2 343.472 -1.422 20 0 EAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220481316 794301612 /nfs/dbraw/zinc/30/16/12/794301612.db2.gz CZQYTIZXRGXPIR-NHIYQJMISA-N 3 2 343.472 -1.422 20 0 EAADLP COCCOCCOCCOCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220512505 794307665 /nfs/dbraw/zinc/30/76/65/794307665.db2.gz SEJMIEABPILSAX-GDBMZVCRSA-N 2 2 345.440 -1.250 20 0 EAADLP COCCOCCOCCOCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220512506 794307294 /nfs/dbraw/zinc/30/72/94/794307294.db2.gz SEJMIEABPILSAX-GOEBONIOSA-N 2 2 345.440 -1.250 20 0 EAADLP COCCOCCOCCOCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220512507 794306516 /nfs/dbraw/zinc/30/65/16/794306516.db2.gz SEJMIEABPILSAX-HOCLYGCPSA-N 2 2 345.440 -1.250 20 0 EAADLP COCCOCCOCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220512508 794307778 /nfs/dbraw/zinc/30/77/78/794307778.db2.gz SEJMIEABPILSAX-ZBFHGGJFSA-N 2 2 345.440 -1.250 20 0 EAADLP COCCOCCOCCOCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220512651 794308953 /nfs/dbraw/zinc/30/89/53/794308953.db2.gz XJDBGYMFXTYWJY-SOUVJXGZSA-N 2 2 345.440 -1.251 20 0 EAADLP COCCOCCOCCOCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220514354 794309224 /nfs/dbraw/zinc/30/92/24/794309224.db2.gz HTCHXDVGFWIXPZ-UHFFFAOYSA-N 2 2 333.429 -1.120 20 0 EAADLP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220516392 794309103 /nfs/dbraw/zinc/30/91/03/794309103.db2.gz VIXPMTYKBPZUAO-SECBINFHSA-N 2 2 338.368 -1.342 20 0 EAADLP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220516393 794309248 /nfs/dbraw/zinc/30/92/48/794309248.db2.gz VIXPMTYKBPZUAO-VIFPVBQESA-N 2 2 338.368 -1.342 20 0 EAADLP CCn1nnc2c1[C@H](C(=O)NCCOCCOCC[NH3+])C[NH2+]C2 ZINC001220517481 794309261 /nfs/dbraw/zinc/30/92/61/794309261.db2.gz NFJLOGUNIWPNSB-LLVKDONJSA-N 2 2 326.401 -1.407 20 0 EAADLP CCn1nnc2c1[C@@H](C(=O)NCCOCCOCC[NH3+])C[NH2+]C2 ZINC001220517482 794309089 /nfs/dbraw/zinc/30/90/89/794309089.db2.gz NFJLOGUNIWPNSB-NSHDSACASA-N 2 2 326.401 -1.407 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553159 794316980 /nfs/dbraw/zinc/31/69/80/794316980.db2.gz ASQGIAIUNOUCGM-CABCVRRESA-N 2 2 345.440 -1.467 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553159 794316971 /nfs/dbraw/zinc/31/69/71/794316971.db2.gz ASQGIAIUNOUCGM-CABCVRRESA-N 2 2 345.440 -1.467 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220553182 794316667 /nfs/dbraw/zinc/31/66/67/794316667.db2.gz BSXPHBQPAVIOLZ-KGLIPLIRSA-N 2 2 338.412 -1.838 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220553182 794316659 /nfs/dbraw/zinc/31/66/59/794316659.db2.gz BSXPHBQPAVIOLZ-KGLIPLIRSA-N 2 2 338.412 -1.838 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220553433 794317024 /nfs/dbraw/zinc/31/70/24/794317024.db2.gz JMIDUKOTYJKVME-KGLIPLIRSA-N 2 2 331.413 -2.121 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220553433 794317020 /nfs/dbraw/zinc/31/70/20/794317020.db2.gz JMIDUKOTYJKVME-KGLIPLIRSA-N 2 2 331.413 -2.121 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220553751 794316705 /nfs/dbraw/zinc/31/67/05/794316705.db2.gz RSCQWINDKZKFMW-CABCVRRESA-N 2 2 337.424 -1.233 20 0 EAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220553751 794316702 /nfs/dbraw/zinc/31/67/02/794316702.db2.gz RSCQWINDKZKFMW-CABCVRRESA-N 2 2 337.424 -1.233 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[NH+]2CC3(COC3)C2)COC1(C)C ZINC001220570891 794322994 /nfs/dbraw/zinc/32/29/94/794322994.db2.gz CSQDSDNKMOESIG-RYUDHWBXSA-N 2 2 340.424 -1.255 20 0 EAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571323 794322094 /nfs/dbraw/zinc/32/20/94/794322094.db2.gz OLVDLMKPNUAQBN-LBPRGKRZSA-N 2 2 342.440 -1.307 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220575240 794322907 /nfs/dbraw/zinc/32/29/07/794322907.db2.gz HODRQPQDOFQXKD-NEPJUHHUSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220575240 794322901 /nfs/dbraw/zinc/32/29/01/794322901.db2.gz HODRQPQDOFQXKD-NEPJUHHUSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220575241 794322572 /nfs/dbraw/zinc/32/25/72/794322572.db2.gz HODRQPQDOFQXKD-NWDGAFQWSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220575241 794322565 /nfs/dbraw/zinc/32/25/65/794322565.db2.gz HODRQPQDOFQXKD-NWDGAFQWSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220575243 794323288 /nfs/dbraw/zinc/32/32/88/794323288.db2.gz HODRQPQDOFQXKD-RYUDHWBXSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220575243 794323280 /nfs/dbraw/zinc/32/32/80/794323280.db2.gz HODRQPQDOFQXKD-RYUDHWBXSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220575244 794323174 /nfs/dbraw/zinc/32/31/74/794323174.db2.gz HODRQPQDOFQXKD-VXGBXAGGSA-N 2 2 326.397 -1.534 20 0 EAADLP COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220575244 794323168 /nfs/dbraw/zinc/32/31/68/794323168.db2.gz HODRQPQDOFQXKD-VXGBXAGGSA-N 2 2 326.397 -1.534 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220575587 794321925 /nfs/dbraw/zinc/32/19/25/794321925.db2.gz YBZFIXNXSFRSJP-OLZOCXBDSA-N 2 2 340.424 -1.362 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220575587 794321917 /nfs/dbraw/zinc/32/19/17/794321917.db2.gz YBZFIXNXSFRSJP-OLZOCXBDSA-N 2 2 340.424 -1.362 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220578726 794324612 /nfs/dbraw/zinc/32/46/12/794324612.db2.gz PVCKJEHNVCNNEO-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220578726 794324608 /nfs/dbraw/zinc/32/46/08/794324608.db2.gz PVCKJEHNVCNNEO-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220582908 794323719 /nfs/dbraw/zinc/32/37/19/794323719.db2.gz KNLSTWVAJBSHGT-OLZOCXBDSA-N 2 2 327.429 -1.485 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220582908 794323716 /nfs/dbraw/zinc/32/37/16/794323716.db2.gz KNLSTWVAJBSHGT-OLZOCXBDSA-N 2 2 327.429 -1.485 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220583119 794324051 /nfs/dbraw/zinc/32/40/51/794324051.db2.gz PFOBNGOAWXZALR-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220583119 794324045 /nfs/dbraw/zinc/32/40/45/794324045.db2.gz PFOBNGOAWXZALR-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220583120 794324118 /nfs/dbraw/zinc/32/41/18/794324118.db2.gz PFOBNGOAWXZALR-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220583120 794324113 /nfs/dbraw/zinc/32/41/13/794324113.db2.gz PFOBNGOAWXZALR-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220584805 794324590 /nfs/dbraw/zinc/32/45/90/794324590.db2.gz KJQULDWUTWOSFW-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220584805 794324586 /nfs/dbraw/zinc/32/45/86/794324586.db2.gz KJQULDWUTWOSFW-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220584806 794324253 /nfs/dbraw/zinc/32/42/53/794324253.db2.gz KJQULDWUTWOSFW-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220584806 794324245 /nfs/dbraw/zinc/32/42/45/794324245.db2.gz KJQULDWUTWOSFW-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220584895 794325895 /nfs/dbraw/zinc/32/58/95/794325895.db2.gz NWKDPXGMBPERKH-NEPJUHHUSA-N 2 2 341.412 -1.959 20 0 EAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220584895 794325886 /nfs/dbraw/zinc/32/58/86/794325886.db2.gz NWKDPXGMBPERKH-NEPJUHHUSA-N 2 2 341.412 -1.959 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599491 794327586 /nfs/dbraw/zinc/32/75/86/794327586.db2.gz BHAFVARRIUCSTD-KFWWJZLASA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599491 794327581 /nfs/dbraw/zinc/32/75/81/794327581.db2.gz BHAFVARRIUCSTD-KFWWJZLASA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599492 794327484 /nfs/dbraw/zinc/32/74/84/794327484.db2.gz BHAFVARRIUCSTD-ZNMIVQPWSA-N 2 2 329.441 -1.113 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599492 794327481 /nfs/dbraw/zinc/32/74/81/794327481.db2.gz BHAFVARRIUCSTD-ZNMIVQPWSA-N 2 2 329.441 -1.113 20 0 EAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220599994 794326996 /nfs/dbraw/zinc/32/69/96/794326996.db2.gz WRZCLGAAAJXHLA-CABCVRRESA-N 2 2 329.441 -1.112 20 0 EAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220599994 794326992 /nfs/dbraw/zinc/32/69/92/794326992.db2.gz WRZCLGAAAJXHLA-CABCVRRESA-N 2 2 329.441 -1.112 20 0 EAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637928 794332806 /nfs/dbraw/zinc/33/28/06/794332806.db2.gz NUXMFXOEGPDPSW-MCIONIFRSA-N 2 2 342.440 -1.478 20 0 EAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637928 794332797 /nfs/dbraw/zinc/33/27/97/794332797.db2.gz NUXMFXOEGPDPSW-MCIONIFRSA-N 2 2 342.440 -1.478 20 0 EAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637929 794332677 /nfs/dbraw/zinc/33/26/77/794332677.db2.gz NUXMFXOEGPDPSW-RDBSUJKOSA-N 2 2 342.440 -1.478 20 0 EAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637929 794332663 /nfs/dbraw/zinc/33/26/63/794332663.db2.gz NUXMFXOEGPDPSW-RDBSUJKOSA-N 2 2 342.440 -1.478 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642720 794333350 /nfs/dbraw/zinc/33/33/50/794333350.db2.gz KBGMSLCXYBEQRD-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642720 794333346 /nfs/dbraw/zinc/33/33/46/794333346.db2.gz KBGMSLCXYBEQRD-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643288 794333413 /nfs/dbraw/zinc/33/34/13/794333413.db2.gz YYASDFAIABNGKS-BNOWGMLFSA-N 2 2 342.440 -1.607 20 0 EAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643288 794333408 /nfs/dbraw/zinc/33/34/08/794333408.db2.gz YYASDFAIABNGKS-BNOWGMLFSA-N 2 2 342.440 -1.607 20 0 EAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643289 794333505 /nfs/dbraw/zinc/33/35/05/794333505.db2.gz YYASDFAIABNGKS-YUTCNCBUSA-N 2 2 342.440 -1.607 20 0 EAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643289 794333497 /nfs/dbraw/zinc/33/34/97/794333497.db2.gz YYASDFAIABNGKS-YUTCNCBUSA-N 2 2 342.440 -1.607 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220643310 794333459 /nfs/dbraw/zinc/33/34/59/794333459.db2.gz ZSBJLVYCKFYCNE-MCIONIFRSA-N 2 2 340.424 -1.853 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220643310 794333454 /nfs/dbraw/zinc/33/34/54/794333454.db2.gz ZSBJLVYCKFYCNE-MCIONIFRSA-N 2 2 340.424 -1.853 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220643311 794332480 /nfs/dbraw/zinc/33/24/80/794332480.db2.gz ZSBJLVYCKFYCNE-RDBSUJKOSA-N 2 2 340.424 -1.853 20 0 EAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220643311 794332471 /nfs/dbraw/zinc/33/24/71/794332471.db2.gz ZSBJLVYCKFYCNE-RDBSUJKOSA-N 2 2 340.424 -1.853 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648419 794334339 /nfs/dbraw/zinc/33/43/39/794334339.db2.gz DSLNYNZCGQEQBA-LBPRGKRZSA-N 2 2 330.396 -1.205 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220683294 794339273 /nfs/dbraw/zinc/33/92/73/794339273.db2.gz OWSHLSPHKPRRPR-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220683294 794339270 /nfs/dbraw/zinc/33/92/70/794339270.db2.gz OWSHLSPHKPRRPR-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220683294 794339266 /nfs/dbraw/zinc/33/92/66/794339266.db2.gz OWSHLSPHKPRRPR-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220683294 794339263 /nfs/dbraw/zinc/33/92/63/794339263.db2.gz OWSHLSPHKPRRPR-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220688632 794339227 /nfs/dbraw/zinc/33/92/27/794339227.db2.gz NKOXQMPDTDSYTJ-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220688632 794339225 /nfs/dbraw/zinc/33/92/25/794339225.db2.gz NKOXQMPDTDSYTJ-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220688632 794339222 /nfs/dbraw/zinc/33/92/22/794339222.db2.gz NKOXQMPDTDSYTJ-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220688632 794339218 /nfs/dbraw/zinc/33/92/18/794339218.db2.gz NKOXQMPDTDSYTJ-NEPJUHHUSA-N 2 2 336.458 -1.961 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688762 794339155 /nfs/dbraw/zinc/33/91/55/794339155.db2.gz PYHJEXGUEPFAAA-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688762 794339149 /nfs/dbraw/zinc/33/91/49/794339149.db2.gz PYHJEXGUEPFAAA-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688762 794339144 /nfs/dbraw/zinc/33/91/44/794339144.db2.gz PYHJEXGUEPFAAA-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688762 794339137 /nfs/dbraw/zinc/33/91/37/794339137.db2.gz PYHJEXGUEPFAAA-MCIONIFRSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688763 794339205 /nfs/dbraw/zinc/33/92/05/794339205.db2.gz PYHJEXGUEPFAAA-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688763 794339202 /nfs/dbraw/zinc/33/92/02/794339202.db2.gz PYHJEXGUEPFAAA-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688763 794339199 /nfs/dbraw/zinc/33/91/99/794339199.db2.gz PYHJEXGUEPFAAA-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220688763 794339196 /nfs/dbraw/zinc/33/91/96/794339196.db2.gz PYHJEXGUEPFAAA-MJBXVCDLSA-N 2 2 347.481 -1.076 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688947 794339294 /nfs/dbraw/zinc/33/92/94/794339294.db2.gz WZDYHADCEDBVEX-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688947 794339293 /nfs/dbraw/zinc/33/92/93/794339293.db2.gz WZDYHADCEDBVEX-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688947 794339291 /nfs/dbraw/zinc/33/92/91/794339291.db2.gz WZDYHADCEDBVEX-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688947 794339288 /nfs/dbraw/zinc/33/92/88/794339288.db2.gz WZDYHADCEDBVEX-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688948 794338972 /nfs/dbraw/zinc/33/89/72/794338972.db2.gz WZDYHADCEDBVEX-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688948 794338968 /nfs/dbraw/zinc/33/89/68/794338968.db2.gz WZDYHADCEDBVEX-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688948 794338960 /nfs/dbraw/zinc/33/89/60/794338960.db2.gz WZDYHADCEDBVEX-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220688948 794338949 /nfs/dbraw/zinc/33/89/49/794338949.db2.gz WZDYHADCEDBVEX-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689571 794339504 /nfs/dbraw/zinc/33/95/04/794339504.db2.gz LLTWPULBVUMLLV-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689571 794339499 /nfs/dbraw/zinc/33/94/99/794339499.db2.gz LLTWPULBVUMLLV-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689571 794339495 /nfs/dbraw/zinc/33/94/95/794339495.db2.gz LLTWPULBVUMLLV-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689571 794339489 /nfs/dbraw/zinc/33/94/89/794339489.db2.gz LLTWPULBVUMLLV-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689572 794339619 /nfs/dbraw/zinc/33/96/19/794339619.db2.gz LLTWPULBVUMLLV-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689572 794339610 /nfs/dbraw/zinc/33/96/10/794339610.db2.gz LLTWPULBVUMLLV-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689572 794339606 /nfs/dbraw/zinc/33/96/06/794339606.db2.gz LLTWPULBVUMLLV-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220689572 794339596 /nfs/dbraw/zinc/33/95/96/794339596.db2.gz LLTWPULBVUMLLV-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689820 794341644 /nfs/dbraw/zinc/34/16/44/794341644.db2.gz STRNQXVBFMBLMT-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689820 794341639 /nfs/dbraw/zinc/34/16/39/794341639.db2.gz STRNQXVBFMBLMT-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689820 794341634 /nfs/dbraw/zinc/34/16/34/794341634.db2.gz STRNQXVBFMBLMT-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689820 794341629 /nfs/dbraw/zinc/34/16/29/794341629.db2.gz STRNQXVBFMBLMT-TUAOUCFPSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689821 794340515 /nfs/dbraw/zinc/34/05/15/794340515.db2.gz STRNQXVBFMBLMT-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689821 794340507 /nfs/dbraw/zinc/34/05/07/794340507.db2.gz STRNQXVBFMBLMT-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689821 794340502 /nfs/dbraw/zinc/34/05/02/794340502.db2.gz STRNQXVBFMBLMT-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220689821 794340494 /nfs/dbraw/zinc/34/04/94/794340494.db2.gz STRNQXVBFMBLMT-UTUOFQBUSA-N 2 2 343.428 -1.666 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220725603 794347190 /nfs/dbraw/zinc/34/71/90/794347190.db2.gz VMZRQQPIGFLOPG-DCAQKATOSA-N 2 2 329.401 -2.469 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220725603 794347186 /nfs/dbraw/zinc/34/71/86/794347186.db2.gz VMZRQQPIGFLOPG-DCAQKATOSA-N 2 2 329.401 -2.469 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220725604 794346999 /nfs/dbraw/zinc/34/69/99/794346999.db2.gz VMZRQQPIGFLOPG-VWYCJHECSA-N 2 2 329.401 -2.469 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220725604 794346989 /nfs/dbraw/zinc/34/69/89/794346989.db2.gz VMZRQQPIGFLOPG-VWYCJHECSA-N 2 2 329.401 -2.469 20 0 EAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755169 794352304 /nfs/dbraw/zinc/35/23/04/794352304.db2.gz FOKXLJLVANLLTC-UPJWGTAASA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755169 794352297 /nfs/dbraw/zinc/35/22/97/794352297.db2.gz FOKXLJLVANLLTC-UPJWGTAASA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755169 794352287 /nfs/dbraw/zinc/35/22/87/794352287.db2.gz FOKXLJLVANLLTC-UPJWGTAASA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755169 794352280 /nfs/dbraw/zinc/35/22/80/794352280.db2.gz FOKXLJLVANLLTC-UPJWGTAASA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755170 794352515 /nfs/dbraw/zinc/35/25/15/794352515.db2.gz FOKXLJLVANLLTC-XQQFMLRXSA-N 2 2 348.469 -1.961 20 0 EAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755170 794352509 /nfs/dbraw/zinc/35/25/09/794352509.db2.gz FOKXLJLVANLLTC-XQQFMLRXSA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755170 794352501 /nfs/dbraw/zinc/35/25/01/794352501.db2.gz FOKXLJLVANLLTC-XQQFMLRXSA-N 2 2 348.469 -1.961 20 0 EAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220755170 794352499 /nfs/dbraw/zinc/35/24/99/794352499.db2.gz FOKXLJLVANLLTC-XQQFMLRXSA-N 2 2 348.469 -1.961 20 0 EAADLP O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220756573 794353090 /nfs/dbraw/zinc/35/30/90/794353090.db2.gz FTOHLIMBDONGQN-RWMBFGLXSA-N 2 2 330.454 -1.827 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756939 794351915 /nfs/dbraw/zinc/35/19/15/794351915.db2.gz OMDUBNRUHHDHPM-ZDUSSCGKSA-N 2 2 343.453 -1.473 20 0 EAADLP O=C(NCCCN1CCS(=O)(=O)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220757159 794351802 /nfs/dbraw/zinc/35/18/02/794351802.db2.gz WBCAOOBYQPMLGB-GXTWGEPZSA-N 2 2 330.454 -1.825 20 0 EAADLP O=C(NCCCN1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220757160 794351870 /nfs/dbraw/zinc/35/18/70/794351870.db2.gz WBCAOOBYQPMLGB-JSGCOSHPSA-N 2 2 330.454 -1.825 20 0 EAADLP O=C(NCCCN1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220757161 794352479 /nfs/dbraw/zinc/35/24/79/794352479.db2.gz WBCAOOBYQPMLGB-OCCSQVGLSA-N 2 2 330.454 -1.825 20 0 EAADLP O=C(NCCCN1CCS(=O)(=O)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220757162 794351773 /nfs/dbraw/zinc/35/17/73/794351773.db2.gz WBCAOOBYQPMLGB-TZMCWYRMSA-N 2 2 330.454 -1.825 20 0 EAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757577 794352710 /nfs/dbraw/zinc/35/27/10/794352710.db2.gz MQNMNZNVSLDMAK-KGLIPLIRSA-N 2 2 326.397 -1.213 20 0 EAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757577 794352701 /nfs/dbraw/zinc/35/27/01/794352701.db2.gz MQNMNZNVSLDMAK-KGLIPLIRSA-N 2 2 326.397 -1.213 20 0 EAADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764137 794355713 /nfs/dbraw/zinc/35/57/13/794355713.db2.gz AJHNKOJDJKRXLD-MCIONIFRSA-N 2 2 344.456 -1.359 20 0 EAADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764137 794355710 /nfs/dbraw/zinc/35/57/10/794355710.db2.gz AJHNKOJDJKRXLD-MCIONIFRSA-N 2 2 344.456 -1.359 20 0 EAADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764138 794354375 /nfs/dbraw/zinc/35/43/75/794354375.db2.gz AJHNKOJDJKRXLD-MJBXVCDLSA-N 2 2 344.456 -1.359 20 0 EAADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764138 794354365 /nfs/dbraw/zinc/35/43/65/794354365.db2.gz AJHNKOJDJKRXLD-MJBXVCDLSA-N 2 2 344.456 -1.359 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764459 794354786 /nfs/dbraw/zinc/35/47/86/794354786.db2.gz LYTBVCJHRIJMSS-UPJWGTAASA-N 2 2 330.429 -1.797 20 0 EAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764459 794354782 /nfs/dbraw/zinc/35/47/82/794354782.db2.gz LYTBVCJHRIJMSS-UPJWGTAASA-N 2 2 330.429 -1.797 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764460 794354135 /nfs/dbraw/zinc/35/41/35/794354135.db2.gz LYTBVCJHRIJMSS-XQQFMLRXSA-N 2 2 330.429 -1.797 20 0 EAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764460 794354128 /nfs/dbraw/zinc/35/41/28/794354128.db2.gz LYTBVCJHRIJMSS-XQQFMLRXSA-N 2 2 330.429 -1.797 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220764608 794354652 /nfs/dbraw/zinc/35/46/52/794354652.db2.gz QDNQSPVBMZCKOX-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220764608 794354647 /nfs/dbraw/zinc/35/46/47/794354647.db2.gz QDNQSPVBMZCKOX-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764627 794355409 /nfs/dbraw/zinc/35/54/09/794355409.db2.gz QRGJLNUHRSSMMW-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764627 794355400 /nfs/dbraw/zinc/35/54/00/794355400.db2.gz QRGJLNUHRSSMMW-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764627 794355389 /nfs/dbraw/zinc/35/53/89/794355389.db2.gz QRGJLNUHRSSMMW-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764627 794355380 /nfs/dbraw/zinc/35/53/80/794355380.db2.gz QRGJLNUHRSSMMW-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764628 794354285 /nfs/dbraw/zinc/35/42/85/794354285.db2.gz QRGJLNUHRSSMMW-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764628 794354276 /nfs/dbraw/zinc/35/42/76/794354276.db2.gz QRGJLNUHRSSMMW-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764628 794354267 /nfs/dbraw/zinc/35/42/67/794354267.db2.gz QRGJLNUHRSSMMW-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764628 794354257 /nfs/dbraw/zinc/35/42/57/794354257.db2.gz QRGJLNUHRSSMMW-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764647 794355742 /nfs/dbraw/zinc/35/57/42/794355742.db2.gz RFGVPKYFDVZCNC-AGIUHOORSA-N 2 2 328.413 -2.043 20 0 EAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764647 794355732 /nfs/dbraw/zinc/35/57/32/794355732.db2.gz RFGVPKYFDVZCNC-AGIUHOORSA-N 2 2 328.413 -2.043 20 0 EAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764648 794355146 /nfs/dbraw/zinc/35/51/46/794355146.db2.gz RFGVPKYFDVZCNC-UPJWGTAASA-N 2 2 328.413 -2.043 20 0 EAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764648 794355138 /nfs/dbraw/zinc/35/51/38/794355138.db2.gz RFGVPKYFDVZCNC-UPJWGTAASA-N 2 2 328.413 -2.043 20 0 EAADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220764665 794355040 /nfs/dbraw/zinc/35/50/40/794355040.db2.gz ROMJCDNOCKUVLB-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220764665 794355031 /nfs/dbraw/zinc/35/50/31/794355031.db2.gz ROMJCDNOCKUVLB-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764673 794355558 /nfs/dbraw/zinc/35/55/58/794355558.db2.gz SDSBOBMXLHVYRA-MCIONIFRSA-N 2 2 344.456 -1.230 20 0 EAADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764673 794355555 /nfs/dbraw/zinc/35/55/55/794355555.db2.gz SDSBOBMXLHVYRA-MCIONIFRSA-N 2 2 344.456 -1.230 20 0 EAADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764674 794354715 /nfs/dbraw/zinc/35/47/15/794354715.db2.gz SDSBOBMXLHVYRA-RDBSUJKOSA-N 2 2 344.456 -1.230 20 0 EAADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764674 794354714 /nfs/dbraw/zinc/35/47/14/794354714.db2.gz SDSBOBMXLHVYRA-RDBSUJKOSA-N 2 2 344.456 -1.230 20 0 EAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764700 794354172 /nfs/dbraw/zinc/35/41/72/794354172.db2.gz SVEMMUKXIGILPN-BNOWGMLFSA-N 2 2 342.440 -1.607 20 0 EAADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764700 794354163 /nfs/dbraw/zinc/35/41/63/794354163.db2.gz SVEMMUKXIGILPN-BNOWGMLFSA-N 2 2 342.440 -1.607 20 0 EAADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764701 794354770 /nfs/dbraw/zinc/35/47/70/794354770.db2.gz SVEMMUKXIGILPN-YUTCNCBUSA-N 2 2 342.440 -1.607 20 0 EAADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764701 794354767 /nfs/dbraw/zinc/35/47/67/794354767.db2.gz SVEMMUKXIGILPN-YUTCNCBUSA-N 2 2 342.440 -1.607 20 0 EAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220766877 794354872 /nfs/dbraw/zinc/35/48/72/794354872.db2.gz JCOHDYFMEMEOMW-OLZOCXBDSA-N 2 2 330.429 -1.796 20 0 EAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220766877 794354865 /nfs/dbraw/zinc/35/48/65/794354865.db2.gz JCOHDYFMEMEOMW-OLZOCXBDSA-N 2 2 330.429 -1.796 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220767042 794355631 /nfs/dbraw/zinc/35/56/31/794355631.db2.gz LIAMTCBMISQOPW-OLZOCXBDSA-N 2 2 328.413 -2.042 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220767042 794355625 /nfs/dbraw/zinc/35/56/25/794355625.db2.gz LIAMTCBMISQOPW-OLZOCXBDSA-N 2 2 328.413 -2.042 20 0 EAADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220768289 794355457 /nfs/dbraw/zinc/35/54/57/794355457.db2.gz FBXPLIZDNXBHTK-KGLIPLIRSA-N 2 2 325.413 -1.340 20 0 EAADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220768289 794355448 /nfs/dbraw/zinc/35/54/48/794355448.db2.gz FBXPLIZDNXBHTK-KGLIPLIRSA-N 2 2 325.413 -1.340 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768291 794354022 /nfs/dbraw/zinc/35/40/22/794354022.db2.gz FGGUAGDBXQYRIG-KGLIPLIRSA-N 2 2 344.456 -1.406 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768291 794354015 /nfs/dbraw/zinc/35/40/15/794354015.db2.gz FGGUAGDBXQYRIG-KGLIPLIRSA-N 2 2 344.456 -1.406 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220768298 794355534 /nfs/dbraw/zinc/35/55/34/794355534.db2.gz FLPMTNPPVXZJSS-KGLIPLIRSA-N 2 2 342.440 -1.748 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220768298 794355527 /nfs/dbraw/zinc/35/55/27/794355527.db2.gz FLPMTNPPVXZJSS-KGLIPLIRSA-N 2 2 342.440 -1.748 20 0 EAADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768408 794355895 /nfs/dbraw/zinc/35/58/95/794355895.db2.gz KFAVMWQCVDUHIU-KGLIPLIRSA-N 2 2 325.413 -1.340 20 0 EAADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768456 794356338 /nfs/dbraw/zinc/35/63/38/794356338.db2.gz MQOXMWZEIJMOCX-CABCVRRESA-N 2 2 339.440 -1.032 20 0 EAADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768456 794356331 /nfs/dbraw/zinc/35/63/31/794356331.db2.gz MQOXMWZEIJMOCX-CABCVRRESA-N 2 2 339.440 -1.032 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220768503 794356044 /nfs/dbraw/zinc/35/60/44/794356044.db2.gz OWUXDIVLTOWWDU-UTUOFQBUSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220768503 794356035 /nfs/dbraw/zinc/35/60/35/794356035.db2.gz OWUXDIVLTOWWDU-UTUOFQBUSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220768504 794356408 /nfs/dbraw/zinc/35/64/08/794356408.db2.gz OWUXDIVLTOWWDU-WOPDTQHZSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220768504 794356400 /nfs/dbraw/zinc/35/64/00/794356400.db2.gz OWUXDIVLTOWWDU-WOPDTQHZSA-N 2 2 342.396 -2.469 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220768515 794356016 /nfs/dbraw/zinc/35/60/16/794356016.db2.gz PLUPBYADKKJLNC-AGIUHOORSA-N 2 2 328.413 -1.996 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220768515 794356007 /nfs/dbraw/zinc/35/60/07/794356007.db2.gz PLUPBYADKKJLNC-AGIUHOORSA-N 2 2 328.413 -1.996 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220768516 794356767 /nfs/dbraw/zinc/35/67/67/794356767.db2.gz PLUPBYADKKJLNC-UPJWGTAASA-N 2 2 328.413 -1.996 20 0 EAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220768516 794356761 /nfs/dbraw/zinc/35/67/61/794356761.db2.gz PLUPBYADKKJLNC-UPJWGTAASA-N 2 2 328.413 -1.996 20 0 EAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768587 794356862 /nfs/dbraw/zinc/35/68/62/794356862.db2.gz SLCTYMZPCJLZIH-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768587 794356852 /nfs/dbraw/zinc/35/68/52/794356852.db2.gz SLCTYMZPCJLZIH-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768588 794357124 /nfs/dbraw/zinc/35/71/24/794357124.db2.gz SLCTYMZPCJLZIH-RDBSUJKOSA-N 2 2 342.440 -1.653 20 0 EAADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768588 794357118 /nfs/dbraw/zinc/35/71/18/794357118.db2.gz SLCTYMZPCJLZIH-RDBSUJKOSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768597 794357070 /nfs/dbraw/zinc/35/70/70/794357070.db2.gz UDMBZCMIKPYMSU-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768597 794357065 /nfs/dbraw/zinc/35/70/65/794357065.db2.gz UDMBZCMIKPYMSU-MCIONIFRSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768598 794357254 /nfs/dbraw/zinc/35/72/54/794357254.db2.gz UDMBZCMIKPYMSU-RDBSUJKOSA-N 2 2 342.440 -1.653 20 0 EAADLP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220768598 794357246 /nfs/dbraw/zinc/35/72/46/794357246.db2.gz UDMBZCMIKPYMSU-RDBSUJKOSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768692 794357107 /nfs/dbraw/zinc/35/71/07/794357107.db2.gz YRDVSVSIWOARLF-KGLIPLIRSA-N 2 2 344.456 -1.407 20 0 EAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768692 794357102 /nfs/dbraw/zinc/35/71/02/794357102.db2.gz YRDVSVSIWOARLF-KGLIPLIRSA-N 2 2 344.456 -1.407 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220768897 794357552 /nfs/dbraw/zinc/35/75/52/794357552.db2.gz DNCZCMCSHCYZDI-NEPJUHHUSA-N 2 2 337.380 -2.049 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220768898 794357346 /nfs/dbraw/zinc/35/73/46/794357346.db2.gz DNCZCMCSHCYZDI-NWDGAFQWSA-N 2 2 337.380 -2.049 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220768899 794356249 /nfs/dbraw/zinc/35/62/49/794356249.db2.gz DNCZCMCSHCYZDI-RYUDHWBXSA-N 2 2 337.380 -2.049 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220768900 794356668 /nfs/dbraw/zinc/35/66/68/794356668.db2.gz DNCZCMCSHCYZDI-VXGBXAGGSA-N 2 2 337.380 -2.049 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220769468 794356172 /nfs/dbraw/zinc/35/61/72/794356172.db2.gz NFJLKBPJYJNKRQ-QWHCGFSZSA-N 2 2 334.380 -1.076 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220769469 794356802 /nfs/dbraw/zinc/35/68/02/794356802.db2.gz NFJLKBPJYJNKRQ-STQMWFEESA-N 2 2 334.380 -1.076 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220770021 794357622 /nfs/dbraw/zinc/35/76/22/794357622.db2.gz TYEWNYADBNVACT-GHMZBOCLSA-N 2 2 340.384 -1.604 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220770022 794357306 /nfs/dbraw/zinc/35/73/06/794357306.db2.gz TYEWNYADBNVACT-MNOVXSKESA-N 2 2 340.384 -1.604 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220770630 794356946 /nfs/dbraw/zinc/35/69/46/794356946.db2.gz YGPYMVNAOKXING-AXAPSJFSSA-N 3 2 335.408 -1.181 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220770631 794356829 /nfs/dbraw/zinc/35/68/29/794356829.db2.gz YGPYMVNAOKXING-PVXIVEMSSA-N 3 2 335.408 -1.181 20 0 EAADLP O=C(NCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC001220771318 794356923 /nfs/dbraw/zinc/35/69/23/794356923.db2.gz NOLNRPPDLMWMTQ-KGLIPLIRSA-N 2 2 336.436 -1.230 20 0 EAADLP O=C(NCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC001220771318 794356911 /nfs/dbraw/zinc/35/69/11/794356911.db2.gz NOLNRPPDLMWMTQ-KGLIPLIRSA-N 2 2 336.436 -1.230 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771760 794357457 /nfs/dbraw/zinc/35/74/57/794357457.db2.gz DZVQAMJSHPSEGF-KYOSRNDESA-N 2 2 338.408 -1.070 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771760 794357445 /nfs/dbraw/zinc/35/74/45/794357445.db2.gz DZVQAMJSHPSEGF-KYOSRNDESA-N 2 2 338.408 -1.070 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771761 794356468 /nfs/dbraw/zinc/35/64/68/794356468.db2.gz DZVQAMJSHPSEGF-LNSITVRQSA-N 2 2 338.408 -1.070 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771761 794356457 /nfs/dbraw/zinc/35/64/57/794356457.db2.gz DZVQAMJSHPSEGF-LNSITVRQSA-N 2 2 338.408 -1.070 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220771874 794356119 /nfs/dbraw/zinc/35/61/19/794356119.db2.gz FKBWKCNVBNFOTK-NEPJUHHUSA-N 2 2 337.380 -1.430 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220771878 794357000 /nfs/dbraw/zinc/35/70/00/794357000.db2.gz FKBWKCNVBNFOTK-RYUDHWBXSA-N 2 2 337.380 -1.430 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220771990 794357405 /nfs/dbraw/zinc/35/74/05/794357405.db2.gz HMYYHHRPLDVXPS-QWRGUYRKSA-N 3 2 329.426 -1.360 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220771991 794356203 /nfs/dbraw/zinc/35/62/03/794356203.db2.gz HMYYHHRPLDVXPS-WDEREUQCSA-N 3 2 329.426 -1.360 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220772238 794356892 /nfs/dbraw/zinc/35/68/92/794356892.db2.gz LQQSSIFKVSJXFT-INTQDDNPSA-N 2 2 341.368 -2.555 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220772239 794356447 /nfs/dbraw/zinc/35/64/47/794356447.db2.gz LQQSSIFKVSJXFT-LSJOCFKGSA-N 2 2 341.368 -2.555 20 0 EAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220772434 794357143 /nfs/dbraw/zinc/35/71/43/794357143.db2.gz ROAWEPIWVMDTNJ-HIFRSBDPSA-N 2 2 338.408 -1.069 20 0 EAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220772434 794357138 /nfs/dbraw/zinc/35/71/38/794357138.db2.gz ROAWEPIWVMDTNJ-HIFRSBDPSA-N 2 2 338.408 -1.069 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220772957 794356366 /nfs/dbraw/zinc/35/63/66/794356366.db2.gz WXESMGWTLLZXMR-GANBNBROSA-N 2 2 330.410 -1.284 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220772958 794357047 /nfs/dbraw/zinc/35/70/47/794357047.db2.gz WXESMGWTLLZXMR-QWVJXAHUSA-N 2 2 330.410 -1.284 20 0 EAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220772959 794356574 /nfs/dbraw/zinc/35/65/74/794356574.db2.gz WXESMGWTLLZXMR-UTSGRSJNSA-N 2 2 330.410 -1.284 20 0 EAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220772960 794356549 /nfs/dbraw/zinc/35/65/49/794356549.db2.gz WXESMGWTLLZXMR-WEVHURDZSA-N 2 2 330.410 -1.284 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798537 794361709 /nfs/dbraw/zinc/36/17/09/794361709.db2.gz AJQHGLPQUHHADN-TUAOUCFPSA-N 2 2 343.428 -1.537 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798537 794361700 /nfs/dbraw/zinc/36/17/00/794361700.db2.gz AJQHGLPQUHHADN-TUAOUCFPSA-N 2 2 343.428 -1.537 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798538 794362831 /nfs/dbraw/zinc/36/28/31/794362831.db2.gz AJQHGLPQUHHADN-UTUOFQBUSA-N 2 2 343.428 -1.537 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798538 794362824 /nfs/dbraw/zinc/36/28/24/794362824.db2.gz AJQHGLPQUHHADN-UTUOFQBUSA-N 2 2 343.428 -1.537 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220806645 794362997 /nfs/dbraw/zinc/36/29/97/794362997.db2.gz IPUSKIGBJHKAAR-AGIUHOORSA-N 2 2 340.424 -1.315 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220806645 794362991 /nfs/dbraw/zinc/36/29/91/794362991.db2.gz IPUSKIGBJHKAAR-AGIUHOORSA-N 2 2 340.424 -1.315 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220806647 794362947 /nfs/dbraw/zinc/36/29/47/794362947.db2.gz IPUSKIGBJHKAAR-UPJWGTAASA-N 2 2 340.424 -1.315 20 0 EAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220806647 794362938 /nfs/dbraw/zinc/36/29/38/794362938.db2.gz IPUSKIGBJHKAAR-UPJWGTAASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816779 794365214 /nfs/dbraw/zinc/36/52/14/794365214.db2.gz AECFZOIKXYVQAW-TUAOUCFPSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816779 794365205 /nfs/dbraw/zinc/36/52/05/794365205.db2.gz AECFZOIKXYVQAW-TUAOUCFPSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816779 794365196 /nfs/dbraw/zinc/36/51/96/794365196.db2.gz AECFZOIKXYVQAW-TUAOUCFPSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816779 794365185 /nfs/dbraw/zinc/36/51/85/794365185.db2.gz AECFZOIKXYVQAW-TUAOUCFPSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816780 794364055 /nfs/dbraw/zinc/36/40/55/794364055.db2.gz AECFZOIKXYVQAW-UTUOFQBUSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816780 794364046 /nfs/dbraw/zinc/36/40/46/794364046.db2.gz AECFZOIKXYVQAW-UTUOFQBUSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816780 794364040 /nfs/dbraw/zinc/36/40/40/794364040.db2.gz AECFZOIKXYVQAW-UTUOFQBUSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220816780 794364031 /nfs/dbraw/zinc/36/40/31/794364031.db2.gz AECFZOIKXYVQAW-UTUOFQBUSA-N 2 2 343.428 -1.537 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220817082 794363832 /nfs/dbraw/zinc/36/38/32/794363832.db2.gz MZPCHGKQNDGGQQ-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220817082 794363822 /nfs/dbraw/zinc/36/38/22/794363822.db2.gz MZPCHGKQNDGGQQ-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220817082 794363813 /nfs/dbraw/zinc/36/38/13/794363813.db2.gz MZPCHGKQNDGGQQ-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220817082 794363803 /nfs/dbraw/zinc/36/38/03/794363803.db2.gz MZPCHGKQNDGGQQ-KGLIPLIRSA-N 2 2 342.440 -1.652 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821846 794365470 /nfs/dbraw/zinc/36/54/70/794365470.db2.gz IHMCAHUAOACFHK-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821846 794365459 /nfs/dbraw/zinc/36/54/59/794365459.db2.gz IHMCAHUAOACFHK-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821846 794365453 /nfs/dbraw/zinc/36/54/53/794365453.db2.gz IHMCAHUAOACFHK-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821846 794365442 /nfs/dbraw/zinc/36/54/42/794365442.db2.gz IHMCAHUAOACFHK-AXFHLTTASA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821847 794364446 /nfs/dbraw/zinc/36/44/46/794364446.db2.gz IHMCAHUAOACFHK-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821847 794364439 /nfs/dbraw/zinc/36/44/39/794364439.db2.gz IHMCAHUAOACFHK-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821847 794364431 /nfs/dbraw/zinc/36/44/31/794364431.db2.gz IHMCAHUAOACFHK-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001220821847 794364425 /nfs/dbraw/zinc/36/44/25/794364425.db2.gz IHMCAHUAOACFHK-MXWKQRLJSA-N 2 2 329.401 -1.927 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220822275 794364897 /nfs/dbraw/zinc/36/48/97/794364897.db2.gz REGGGCZHPLMENU-OLZOCXBDSA-N 2 2 340.424 -1.362 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220822275 794364882 /nfs/dbraw/zinc/36/48/82/794364882.db2.gz REGGGCZHPLMENU-OLZOCXBDSA-N 2 2 340.424 -1.362 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220822275 794364873 /nfs/dbraw/zinc/36/48/73/794364873.db2.gz REGGGCZHPLMENU-OLZOCXBDSA-N 2 2 340.424 -1.362 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220822275 794364863 /nfs/dbraw/zinc/36/48/63/794364863.db2.gz REGGGCZHPLMENU-OLZOCXBDSA-N 2 2 340.424 -1.362 20 0 EAADLP CCOC(=O)C1=C(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[NH2+]C1 ZINC001220825509 794365086 /nfs/dbraw/zinc/36/50/86/794365086.db2.gz KABFLKTWBFYKIY-GFCCVEGCSA-N 2 2 335.364 -1.007 20 0 EAADLP CCOC(=O)C1=C(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[NH2+]C1 ZINC001220825509 794365082 /nfs/dbraw/zinc/36/50/82/794365082.db2.gz KABFLKTWBFYKIY-GFCCVEGCSA-N 2 2 335.364 -1.007 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826085 794365351 /nfs/dbraw/zinc/36/53/51/794365351.db2.gz LRTBOYUXNMRPTH-AGIUHOORSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826085 794365342 /nfs/dbraw/zinc/36/53/42/794365342.db2.gz LRTBOYUXNMRPTH-AGIUHOORSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826085 794365335 /nfs/dbraw/zinc/36/53/35/794365335.db2.gz LRTBOYUXNMRPTH-AGIUHOORSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826085 794365329 /nfs/dbraw/zinc/36/53/29/794365329.db2.gz LRTBOYUXNMRPTH-AGIUHOORSA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826086 794364586 /nfs/dbraw/zinc/36/45/86/794364586.db2.gz LRTBOYUXNMRPTH-UPJWGTAASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826086 794364576 /nfs/dbraw/zinc/36/45/76/794364576.db2.gz LRTBOYUXNMRPTH-UPJWGTAASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826086 794364565 /nfs/dbraw/zinc/36/45/65/794364565.db2.gz LRTBOYUXNMRPTH-UPJWGTAASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220826086 794364562 /nfs/dbraw/zinc/36/45/62/794364562.db2.gz LRTBOYUXNMRPTH-UPJWGTAASA-N 2 2 340.424 -1.315 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220828861 794366458 /nfs/dbraw/zinc/36/64/58/794366458.db2.gz GBMJSKLRLMQPIF-OLZOCXBDSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220828861 794366450 /nfs/dbraw/zinc/36/64/50/794366450.db2.gz GBMJSKLRLMQPIF-OLZOCXBDSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001220828861 794366447 /nfs/dbraw/zinc/36/64/47/794366447.db2.gz GBMJSKLRLMQPIF-OLZOCXBDSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001220828861 794366433 /nfs/dbraw/zinc/36/64/33/794366433.db2.gz GBMJSKLRLMQPIF-OLZOCXBDSA-N 2 2 327.429 -1.485 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828887 794366732 /nfs/dbraw/zinc/36/67/32/794366732.db2.gz GZOZLFVLRVEADE-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828887 794366724 /nfs/dbraw/zinc/36/67/24/794366724.db2.gz GZOZLFVLRVEADE-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828887 794366714 /nfs/dbraw/zinc/36/67/14/794366714.db2.gz GZOZLFVLRVEADE-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828887 794366710 /nfs/dbraw/zinc/36/67/10/794366710.db2.gz GZOZLFVLRVEADE-UTUOFQBUSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828888 794367214 /nfs/dbraw/zinc/36/72/14/794367214.db2.gz GZOZLFVLRVEADE-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828888 794367208 /nfs/dbraw/zinc/36/72/08/794367208.db2.gz GZOZLFVLRVEADE-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828888 794367203 /nfs/dbraw/zinc/36/72/03/794367203.db2.gz GZOZLFVLRVEADE-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220828888 794367197 /nfs/dbraw/zinc/36/71/97/794367197.db2.gz GZOZLFVLRVEADE-WOPDTQHZSA-N 2 2 326.397 -1.705 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220830568 794366524 /nfs/dbraw/zinc/36/65/24/794366524.db2.gz CCAPJFGWJMVOMY-NEPJUHHUSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220830568 794366515 /nfs/dbraw/zinc/36/65/15/794366515.db2.gz CCAPJFGWJMVOMY-NEPJUHHUSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220830568 794366505 /nfs/dbraw/zinc/36/65/05/794366505.db2.gz CCAPJFGWJMVOMY-NEPJUHHUSA-N 2 2 341.412 -1.959 20 0 EAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220830568 794366500 /nfs/dbraw/zinc/36/65/00/794366500.db2.gz CCAPJFGWJMVOMY-NEPJUHHUSA-N 2 2 341.412 -1.959 20 0 EAADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872172 794372721 /nfs/dbraw/zinc/37/27/21/794372721.db2.gz MSSXTSGHNFWGSD-AWEZNQCLSA-N 2 2 348.403 -1.005 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220872350 794372151 /nfs/dbraw/zinc/37/21/51/794372151.db2.gz VLJWRYXLEJOZLR-AWEZNQCLSA-N 3 2 337.468 -1.002 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220872350 794372137 /nfs/dbraw/zinc/37/21/37/794372137.db2.gz VLJWRYXLEJOZLR-AWEZNQCLSA-N 3 2 337.468 -1.002 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220872351 794372852 /nfs/dbraw/zinc/37/28/52/794372852.db2.gz VLJWRYXLEJOZLR-CQSZACIVSA-N 3 2 337.468 -1.002 20 0 EAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220872351 794372839 /nfs/dbraw/zinc/37/28/39/794372839.db2.gz VLJWRYXLEJOZLR-CQSZACIVSA-N 3 2 337.468 -1.002 20 0 EAADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874390 794371949 /nfs/dbraw/zinc/37/19/49/794371949.db2.gz IBWXJAHXGYWKBF-AWEZNQCLSA-N 2 2 347.419 -1.779 20 0 EAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874673 794375307 /nfs/dbraw/zinc/37/53/07/794375307.db2.gz LFKDMGHVUSMVHV-NSHDSACASA-N 2 2 343.428 -2.207 20 0 EAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876188 794375563 /nfs/dbraw/zinc/37/55/63/794375563.db2.gz GNLIXXNBCCVXIU-LBPRGKRZSA-N 2 2 335.364 -1.652 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220888835 794376688 /nfs/dbraw/zinc/37/66/88/794376688.db2.gz YIMXLGJFOILHIU-KGLIPLIRSA-N 2 2 326.397 -1.477 20 0 EAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220888835 794376683 /nfs/dbraw/zinc/37/66/83/794376683.db2.gz YIMXLGJFOILHIU-KGLIPLIRSA-N 2 2 326.397 -1.477 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888930 794375916 /nfs/dbraw/zinc/37/59/16/794375916.db2.gz ZEJSKHDRZIKHNR-MCIONIFRSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888930 794375906 /nfs/dbraw/zinc/37/59/06/794375906.db2.gz ZEJSKHDRZIKHNR-MCIONIFRSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888931 794376998 /nfs/dbraw/zinc/37/69/98/794376998.db2.gz ZEJSKHDRZIKHNR-MJBXVCDLSA-N 2 2 326.397 -1.479 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888931 794376986 /nfs/dbraw/zinc/37/69/86/794376986.db2.gz ZEJSKHDRZIKHNR-MJBXVCDLSA-N 2 2 326.397 -1.479 20 0 EAADLP [NH3+]CCN(CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)N(O)N=O ZINC001220902827 794377832 /nfs/dbraw/zinc/37/78/32/794377832.db2.gz BMRYIVICWCUBHI-GFCCVEGCSA-N 3 2 325.373 -1.077 20 0 EAADLP [NH3+]CCN(CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)N(O)N=O ZINC001220902828 794378386 /nfs/dbraw/zinc/37/83/86/794378386.db2.gz BMRYIVICWCUBHI-LBPRGKRZSA-N 3 2 325.373 -1.077 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903177 794377787 /nfs/dbraw/zinc/37/77/87/794377787.db2.gz OKFAJGJRNVJQEA-LLVKDONJSA-N 3 2 332.409 -2.599 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903178 794379087 /nfs/dbraw/zinc/37/90/87/794379087.db2.gz OKFAJGJRNVJQEA-NSHDSACASA-N 3 2 332.409 -2.599 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914947 794380448 /nfs/dbraw/zinc/38/04/48/794380448.db2.gz HNQOBKBEKNDMCI-UBHSHLNASA-N 2 2 335.408 -1.404 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914947 794380440 /nfs/dbraw/zinc/38/04/40/794380440.db2.gz HNQOBKBEKNDMCI-UBHSHLNASA-N 2 2 335.408 -1.404 20 0 EAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220923179 794381799 /nfs/dbraw/zinc/38/17/99/794381799.db2.gz AVHCMJMXQGVQNB-RWMBFGLXSA-N 2 2 330.454 -1.276 20 0 EAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220923805 794381718 /nfs/dbraw/zinc/38/17/18/794381718.db2.gz KTCKVAOPMDSGAV-GXTWGEPZSA-N 2 2 330.454 -1.274 20 0 EAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220923806 794383006 /nfs/dbraw/zinc/38/30/06/794383006.db2.gz KTCKVAOPMDSGAV-JSGCOSHPSA-N 2 2 330.454 -1.274 20 0 EAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220923807 794382001 /nfs/dbraw/zinc/38/20/01/794382001.db2.gz KTCKVAOPMDSGAV-OCCSQVGLSA-N 2 2 330.454 -1.274 20 0 EAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220923808 794381789 /nfs/dbraw/zinc/38/17/89/794381789.db2.gz KTCKVAOPMDSGAV-TZMCWYRMSA-N 2 2 330.454 -1.274 20 0 EAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001220923844 794382735 /nfs/dbraw/zinc/38/27/35/794382735.db2.gz LVVAHOGHDLJULG-BZPMIXESSA-N 2 2 330.454 -1.004 20 0 EAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220933796 794384122 /nfs/dbraw/zinc/38/41/22/794384122.db2.gz ABNXQSBOXWWURH-TUAOUCFPSA-N 2 2 348.407 -1.516 20 0 EAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934480 794384263 /nfs/dbraw/zinc/38/42/63/794384263.db2.gz PCELRCPQHRFVLM-GFCCVEGCSA-N 2 2 341.437 -1.003 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975901 794393023 /nfs/dbraw/zinc/39/30/23/794393023.db2.gz AFAYBHSMWWQFRX-MCIONIFRSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975901 794393016 /nfs/dbraw/zinc/39/30/16/794393016.db2.gz AFAYBHSMWWQFRX-MCIONIFRSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975901 794393009 /nfs/dbraw/zinc/39/30/09/794393009.db2.gz AFAYBHSMWWQFRX-MCIONIFRSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975901 794393004 /nfs/dbraw/zinc/39/30/04/794393004.db2.gz AFAYBHSMWWQFRX-MCIONIFRSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975902 794393263 /nfs/dbraw/zinc/39/32/63/794393263.db2.gz AFAYBHSMWWQFRX-MJBXVCDLSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975902 794393254 /nfs/dbraw/zinc/39/32/54/794393254.db2.gz AFAYBHSMWWQFRX-MJBXVCDLSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975902 794393246 /nfs/dbraw/zinc/39/32/46/794393246.db2.gz AFAYBHSMWWQFRX-MJBXVCDLSA-N 2 2 341.456 -1.193 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975902 794393234 /nfs/dbraw/zinc/39/32/34/794393234.db2.gz AFAYBHSMWWQFRX-MJBXVCDLSA-N 2 2 341.456 -1.193 20 0 EAADLP CN(CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976035 794392754 /nfs/dbraw/zinc/39/27/54/794392754.db2.gz GSGYUJWBFUQIKO-UPJWGTAASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976035 794392746 /nfs/dbraw/zinc/39/27/46/794392746.db2.gz GSGYUJWBFUQIKO-UPJWGTAASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976035 794392740 /nfs/dbraw/zinc/39/27/40/794392740.db2.gz GSGYUJWBFUQIKO-UPJWGTAASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976035 794392732 /nfs/dbraw/zinc/39/27/32/794392732.db2.gz GSGYUJWBFUQIKO-UPJWGTAASA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976036 794393146 /nfs/dbraw/zinc/39/31/46/794393146.db2.gz GSGYUJWBFUQIKO-XQQFMLRXSA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976036 794393141 /nfs/dbraw/zinc/39/31/41/794393141.db2.gz GSGYUJWBFUQIKO-XQQFMLRXSA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976036 794393134 /nfs/dbraw/zinc/39/31/34/794393134.db2.gz GSGYUJWBFUQIKO-XQQFMLRXSA-N 2 2 348.469 -2.009 20 0 EAADLP CN(CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220976036 794393126 /nfs/dbraw/zinc/39/31/26/794393126.db2.gz GSGYUJWBFUQIKO-XQQFMLRXSA-N 2 2 348.469 -2.009 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976063 794392818 /nfs/dbraw/zinc/39/28/18/794392818.db2.gz HVHCCCIVZWERFA-MCIONIFRSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976063 794392810 /nfs/dbraw/zinc/39/28/10/794392810.db2.gz HVHCCCIVZWERFA-MCIONIFRSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976063 794392800 /nfs/dbraw/zinc/39/28/00/794392800.db2.gz HVHCCCIVZWERFA-MCIONIFRSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976063 794392792 /nfs/dbraw/zinc/39/27/92/794392792.db2.gz HVHCCCIVZWERFA-MCIONIFRSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976064 794393351 /nfs/dbraw/zinc/39/33/51/794393351.db2.gz HVHCCCIVZWERFA-MJBXVCDLSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976064 794393344 /nfs/dbraw/zinc/39/33/44/794393344.db2.gz HVHCCCIVZWERFA-MJBXVCDLSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976064 794393336 /nfs/dbraw/zinc/39/33/36/794393336.db2.gz HVHCCCIVZWERFA-MJBXVCDLSA-N 2 2 326.441 -1.034 20 0 EAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976064 794393328 /nfs/dbraw/zinc/39/33/28/794393328.db2.gz HVHCCCIVZWERFA-MJBXVCDLSA-N 2 2 326.441 -1.034 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976136 794392872 /nfs/dbraw/zinc/39/28/72/794392872.db2.gz KVINUCUVMXJRTH-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976136 794392865 /nfs/dbraw/zinc/39/28/65/794392865.db2.gz KVINUCUVMXJRTH-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976136 794392856 /nfs/dbraw/zinc/39/28/56/794392856.db2.gz KVINUCUVMXJRTH-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976136 794392845 /nfs/dbraw/zinc/39/28/45/794392845.db2.gz KVINUCUVMXJRTH-MCIONIFRSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976137 794392345 /nfs/dbraw/zinc/39/23/45/794392345.db2.gz KVINUCUVMXJRTH-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976137 794392333 /nfs/dbraw/zinc/39/23/33/794392333.db2.gz KVINUCUVMXJRTH-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976137 794392322 /nfs/dbraw/zinc/39/23/22/794392322.db2.gz KVINUCUVMXJRTH-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976137 794392311 /nfs/dbraw/zinc/39/23/11/794392311.db2.gz KVINUCUVMXJRTH-MJBXVCDLSA-N 2 2 326.441 -1.032 20 0 EAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976313 794393199 /nfs/dbraw/zinc/39/31/99/794393199.db2.gz UCNDMBNVYSBAEG-TUAOUCFPSA-N 2 2 334.442 -2.351 20 0 EAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976313 794393191 /nfs/dbraw/zinc/39/31/91/794393191.db2.gz UCNDMBNVYSBAEG-TUAOUCFPSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976313 794393184 /nfs/dbraw/zinc/39/31/84/794393184.db2.gz UCNDMBNVYSBAEG-TUAOUCFPSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976313 794393176 /nfs/dbraw/zinc/39/31/76/794393176.db2.gz UCNDMBNVYSBAEG-TUAOUCFPSA-N 2 2 334.442 -2.351 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976314 794393304 /nfs/dbraw/zinc/39/33/04/794393304.db2.gz UCNDMBNVYSBAEG-UTUOFQBUSA-N 2 2 334.442 -2.351 20 0 EAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976314 794393301 /nfs/dbraw/zinc/39/33/01/794393301.db2.gz UCNDMBNVYSBAEG-UTUOFQBUSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976314 794393291 /nfs/dbraw/zinc/39/32/91/794393291.db2.gz UCNDMBNVYSBAEG-UTUOFQBUSA-N 2 2 334.442 -2.351 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)C1 ZINC001220976314 794393289 /nfs/dbraw/zinc/39/32/89/794393289.db2.gz UCNDMBNVYSBAEG-UTUOFQBUSA-N 2 2 334.442 -2.351 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976383 794395205 /nfs/dbraw/zinc/39/52/05/794395205.db2.gz WYSMJNKVSRITIU-KFWWJZLASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976383 794395195 /nfs/dbraw/zinc/39/51/95/794395195.db2.gz WYSMJNKVSRITIU-KFWWJZLASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976383 794395187 /nfs/dbraw/zinc/39/51/87/794395187.db2.gz WYSMJNKVSRITIU-KFWWJZLASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976383 794395179 /nfs/dbraw/zinc/39/51/79/794395179.db2.gz WYSMJNKVSRITIU-KFWWJZLASA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976384 794393986 /nfs/dbraw/zinc/39/39/86/794393986.db2.gz WYSMJNKVSRITIU-ZNMIVQPWSA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976384 794393977 /nfs/dbraw/zinc/39/39/77/794393977.db2.gz WYSMJNKVSRITIU-ZNMIVQPWSA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976384 794393969 /nfs/dbraw/zinc/39/39/69/794393969.db2.gz WYSMJNKVSRITIU-ZNMIVQPWSA-N 2 2 338.452 -1.032 20 0 EAADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976384 794393961 /nfs/dbraw/zinc/39/39/61/794393961.db2.gz WYSMJNKVSRITIU-ZNMIVQPWSA-N 2 2 338.452 -1.032 20 0 EAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978108 794395336 /nfs/dbraw/zinc/39/53/36/794395336.db2.gz MQZYBXDCWPOVBX-KGLIPLIRSA-N 2 2 341.456 -1.049 20 0 EAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978108 794395329 /nfs/dbraw/zinc/39/53/29/794395329.db2.gz MQZYBXDCWPOVBX-KGLIPLIRSA-N 2 2 341.456 -1.049 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978165 794393596 /nfs/dbraw/zinc/39/35/96/794393596.db2.gz PSPFDIKHZWCQRR-CABCVRRESA-N 2 2 342.440 -1.604 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978165 794393588 /nfs/dbraw/zinc/39/35/88/794393588.db2.gz PSPFDIKHZWCQRR-CABCVRRESA-N 2 2 342.440 -1.604 20 0 EAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978214 794394179 /nfs/dbraw/zinc/39/41/79/794394179.db2.gz SAGNDGGKOXAHSM-KFWWJZLASA-N 2 2 345.440 -1.733 20 0 EAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978214 794394167 /nfs/dbraw/zinc/39/41/67/794394167.db2.gz SAGNDGGKOXAHSM-KFWWJZLASA-N 2 2 345.440 -1.733 20 0 EAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978215 794395117 /nfs/dbraw/zinc/39/51/17/794395117.db2.gz SAGNDGGKOXAHSM-ZNMIVQPWSA-N 2 2 345.440 -1.733 20 0 EAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978215 794395105 /nfs/dbraw/zinc/39/51/05/794395105.db2.gz SAGNDGGKOXAHSM-ZNMIVQPWSA-N 2 2 345.440 -1.733 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220979240 794394898 /nfs/dbraw/zinc/39/48/98/794394898.db2.gz HIXMVJNEMGYUAI-KGLIPLIRSA-N 2 2 335.408 -1.121 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220979240 794394891 /nfs/dbraw/zinc/39/48/91/794394891.db2.gz HIXMVJNEMGYUAI-KGLIPLIRSA-N 2 2 335.408 -1.121 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220985883 794396064 /nfs/dbraw/zinc/39/60/64/794396064.db2.gz ITQQXYJDKQVKQW-KFWWJZLASA-N 2 2 345.440 -1.875 20 0 EAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220985883 794396057 /nfs/dbraw/zinc/39/60/57/794396057.db2.gz ITQQXYJDKQVKQW-KFWWJZLASA-N 2 2 345.440 -1.875 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220985884 794395940 /nfs/dbraw/zinc/39/59/40/794395940.db2.gz ITQQXYJDKQVKQW-ZNMIVQPWSA-N 2 2 345.440 -1.875 20 0 EAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220985884 794395934 /nfs/dbraw/zinc/39/59/34/794395934.db2.gz ITQQXYJDKQVKQW-ZNMIVQPWSA-N 2 2 345.440 -1.875 20 0 EAADLP COC(=O)CC[C@H](NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001221018783 794405177 /nfs/dbraw/zinc/40/51/77/794405177.db2.gz JXOCQBIXIKIXMP-MNOVXSKESA-N 2 2 329.401 -2.340 20 0 EAADLP COC(=O)CC[C@H](NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001221018785 794405130 /nfs/dbraw/zinc/40/51/30/794405130.db2.gz JXOCQBIXIKIXMP-QWRGUYRKSA-N 2 2 329.401 -2.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001221020140 794405768 /nfs/dbraw/zinc/40/57/68/794405768.db2.gz IARLCXWPFKQPBQ-HZSPNIEDSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001221020140 794405765 /nfs/dbraw/zinc/40/57/65/794405765.db2.gz IARLCXWPFKQPBQ-HZSPNIEDSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001221020140 794405762 /nfs/dbraw/zinc/40/57/62/794405762.db2.gz IARLCXWPFKQPBQ-HZSPNIEDSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001221020140 794405758 /nfs/dbraw/zinc/40/57/58/794405758.db2.gz IARLCXWPFKQPBQ-HZSPNIEDSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001221020141 794405661 /nfs/dbraw/zinc/40/56/61/794405661.db2.gz IARLCXWPFKQPBQ-RDBSUJKOSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001221020141 794405658 /nfs/dbraw/zinc/40/56/58/794405658.db2.gz IARLCXWPFKQPBQ-RDBSUJKOSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001221020141 794405654 /nfs/dbraw/zinc/40/56/54/794405654.db2.gz IARLCXWPFKQPBQ-RDBSUJKOSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001221020141 794405651 /nfs/dbraw/zinc/40/56/51/794405651.db2.gz IARLCXWPFKQPBQ-RDBSUJKOSA-N 2 2 331.413 -2.123 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020426 794405868 /nfs/dbraw/zinc/40/58/68/794405868.db2.gz UEDJSAXOPILADZ-ILXRZTDVSA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020426 794405864 /nfs/dbraw/zinc/40/58/64/794405864.db2.gz UEDJSAXOPILADZ-ILXRZTDVSA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020426 794405862 /nfs/dbraw/zinc/40/58/62/794405862.db2.gz UEDJSAXOPILADZ-ILXRZTDVSA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020426 794405861 /nfs/dbraw/zinc/40/58/61/794405861.db2.gz UEDJSAXOPILADZ-ILXRZTDVSA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020427 794406064 /nfs/dbraw/zinc/40/60/64/794406064.db2.gz UEDJSAXOPILADZ-QLFBSQMISA-N 2 2 345.440 -1.469 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020427 794406061 /nfs/dbraw/zinc/40/60/61/794406061.db2.gz UEDJSAXOPILADZ-QLFBSQMISA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020427 794406059 /nfs/dbraw/zinc/40/60/59/794406059.db2.gz UEDJSAXOPILADZ-QLFBSQMISA-N 2 2 345.440 -1.469 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@@H]2O)C1 ZINC001221020427 794406055 /nfs/dbraw/zinc/40/60/55/794406055.db2.gz UEDJSAXOPILADZ-QLFBSQMISA-N 2 2 345.440 -1.469 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001221089845 794413525 /nfs/dbraw/zinc/41/35/25/794413525.db2.gz REXWTGJWHIGKTI-OLZOCXBDSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001221089845 794413521 /nfs/dbraw/zinc/41/35/21/794413521.db2.gz REXWTGJWHIGKTI-OLZOCXBDSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001221089845 794413517 /nfs/dbraw/zinc/41/35/17/794413517.db2.gz REXWTGJWHIGKTI-OLZOCXBDSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001221089845 794413513 /nfs/dbraw/zinc/41/35/13/794413513.db2.gz REXWTGJWHIGKTI-OLZOCXBDSA-N 2 2 327.429 -1.487 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091263 794413655 /nfs/dbraw/zinc/41/36/55/794413655.db2.gz ICOMXYWKVIAGNW-AXFHLTTASA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091263 794413653 /nfs/dbraw/zinc/41/36/53/794413653.db2.gz ICOMXYWKVIAGNW-AXFHLTTASA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091263 794413649 /nfs/dbraw/zinc/41/36/49/794413649.db2.gz ICOMXYWKVIAGNW-AXFHLTTASA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091263 794413648 /nfs/dbraw/zinc/41/36/48/794413648.db2.gz ICOMXYWKVIAGNW-AXFHLTTASA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091264 794413417 /nfs/dbraw/zinc/41/34/17/794413417.db2.gz ICOMXYWKVIAGNW-MXWKQRLJSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091264 794413412 /nfs/dbraw/zinc/41/34/12/794413412.db2.gz ICOMXYWKVIAGNW-MXWKQRLJSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091264 794413409 /nfs/dbraw/zinc/41/34/09/794413409.db2.gz ICOMXYWKVIAGNW-MXWKQRLJSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001221091264 794413407 /nfs/dbraw/zinc/41/34/07/794413407.db2.gz ICOMXYWKVIAGNW-MXWKQRLJSA-N 2 2 329.401 -1.929 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091564 794413048 /nfs/dbraw/zinc/41/30/48/794413048.db2.gz QTWURGBUJRGZBF-NEPJUHHUSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091564 794413041 /nfs/dbraw/zinc/41/30/41/794413041.db2.gz QTWURGBUJRGZBF-NEPJUHHUSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091564 794413035 /nfs/dbraw/zinc/41/30/35/794413035.db2.gz QTWURGBUJRGZBF-NEPJUHHUSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001221091564 794413027 /nfs/dbraw/zinc/41/30/27/794413027.db2.gz QTWURGBUJRGZBF-NEPJUHHUSA-N 2 2 341.412 -1.960 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001221091624 794413491 /nfs/dbraw/zinc/41/34/91/794413491.db2.gz RQKVGJRBQWRMCQ-OLZOCXBDSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001221091624 794413486 /nfs/dbraw/zinc/41/34/86/794413486.db2.gz RQKVGJRBQWRMCQ-OLZOCXBDSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001221091624 794413482 /nfs/dbraw/zinc/41/34/82/794413482.db2.gz RQKVGJRBQWRMCQ-OLZOCXBDSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001221091624 794413477 /nfs/dbraw/zinc/41/34/77/794413477.db2.gz RQKVGJRBQWRMCQ-OLZOCXBDSA-N 2 2 340.424 -1.363 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001221093055 794413253 /nfs/dbraw/zinc/41/32/53/794413253.db2.gz AZRUDFRJOWEFNY-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001221093055 794413244 /nfs/dbraw/zinc/41/32/44/794413244.db2.gz AZRUDFRJOWEFNY-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001221093055 794413236 /nfs/dbraw/zinc/41/32/36/794413236.db2.gz AZRUDFRJOWEFNY-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001221093055 794413229 /nfs/dbraw/zinc/41/32/29/794413229.db2.gz AZRUDFRJOWEFNY-KGLIPLIRSA-N 2 2 342.440 -1.653 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093271 794413613 /nfs/dbraw/zinc/41/36/13/794413613.db2.gz HOUFRXAEUVNQHB-UTUOFQBUSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093271 794413610 /nfs/dbraw/zinc/41/36/10/794413610.db2.gz HOUFRXAEUVNQHB-UTUOFQBUSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093271 794413608 /nfs/dbraw/zinc/41/36/08/794413608.db2.gz HOUFRXAEUVNQHB-UTUOFQBUSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093271 794413605 /nfs/dbraw/zinc/41/36/05/794413605.db2.gz HOUFRXAEUVNQHB-UTUOFQBUSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093275 794413301 /nfs/dbraw/zinc/41/33/01/794413301.db2.gz HOUFRXAEUVNQHB-WOPDTQHZSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093275 794413295 /nfs/dbraw/zinc/41/32/95/794413295.db2.gz HOUFRXAEUVNQHB-WOPDTQHZSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093275 794413289 /nfs/dbraw/zinc/41/32/89/794413289.db2.gz HOUFRXAEUVNQHB-WOPDTQHZSA-N 2 2 326.397 -1.707 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221093275 794413282 /nfs/dbraw/zinc/41/32/82/794413282.db2.gz HOUFRXAEUVNQHB-WOPDTQHZSA-N 2 2 326.397 -1.707 20 0 EAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221112523 794415262 /nfs/dbraw/zinc/41/52/62/794415262.db2.gz YUWISZVYVBPPLO-NSHDSACASA-N 2 2 330.396 -1.098 20 0 EAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148698 794419180 /nfs/dbraw/zinc/41/91/80/794419180.db2.gz LMIOQBFVFHKRAR-ZDUSSCGKSA-N 3 2 341.437 -1.391 20 0 EAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221161436 794421111 /nfs/dbraw/zinc/42/11/11/794421111.db2.gz MAFFZBCTFJIABA-KGLIPLIRSA-N 2 2 326.397 -1.167 20 0 EAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221161436 794421105 /nfs/dbraw/zinc/42/11/05/794421105.db2.gz MAFFZBCTFJIABA-KGLIPLIRSA-N 2 2 326.397 -1.167 20 0 EAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161449 794420971 /nfs/dbraw/zinc/42/09/71/794420971.db2.gz NCEYEGOGICNELY-MCIONIFRSA-N 2 2 326.397 -1.168 20 0 EAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161449 794420966 /nfs/dbraw/zinc/42/09/66/794420966.db2.gz NCEYEGOGICNELY-MCIONIFRSA-N 2 2 326.397 -1.168 20 0 EAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161450 794420238 /nfs/dbraw/zinc/42/02/38/794420238.db2.gz NCEYEGOGICNELY-MJBXVCDLSA-N 2 2 326.397 -1.168 20 0 EAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161450 794420235 /nfs/dbraw/zinc/42/02/35/794420235.db2.gz NCEYEGOGICNELY-MJBXVCDLSA-N 2 2 326.397 -1.168 20 0 EAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164634 794419888 /nfs/dbraw/zinc/41/98/88/794419888.db2.gz OLEMBMVXGOZCAB-MCIONIFRSA-N 2 2 342.396 -1.932 20 0 EAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164634 794419879 /nfs/dbraw/zinc/41/98/79/794419879.db2.gz OLEMBMVXGOZCAB-MCIONIFRSA-N 2 2 342.396 -1.932 20 0 EAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164635 794421167 /nfs/dbraw/zinc/42/11/67/794421167.db2.gz OLEMBMVXGOZCAB-MJBXVCDLSA-N 2 2 342.396 -1.932 20 0 EAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164635 794421164 /nfs/dbraw/zinc/42/11/64/794421164.db2.gz OLEMBMVXGOZCAB-MJBXVCDLSA-N 2 2 342.396 -1.932 20 0 EAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164756 794420382 /nfs/dbraw/zinc/42/03/82/794420382.db2.gz PASBQTJCAXBXAN-KGLIPLIRSA-N 2 2 339.396 -1.803 20 0 EAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164756 794420376 /nfs/dbraw/zinc/42/03/76/794420376.db2.gz PASBQTJCAXBXAN-KGLIPLIRSA-N 2 2 339.396 -1.803 20 0 EAADLP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221256544 794431370 /nfs/dbraw/zinc/43/13/70/794431370.db2.gz BRTJVFHKWYIGSZ-DOERSZECSA-N 2 2 335.408 -1.040 20 0 EAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001221256922 794431492 /nfs/dbraw/zinc/43/14/92/794431492.db2.gz RHDARDXXLMKGIM-RYUDHWBXSA-N 2 2 326.353 -1.099 20 0 EAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221256957 794432230 /nfs/dbraw/zinc/43/22/30/794432230.db2.gz SDINBVXHVHXEFI-OLZOCXBDSA-N 3 2 335.408 -1.181 20 0 EAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221256958 794431299 /nfs/dbraw/zinc/43/12/99/794431299.db2.gz SDINBVXHVHXEFI-STQMWFEESA-N 3 2 335.408 -1.181 20 0 EAADLP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221264778 794431919 /nfs/dbraw/zinc/43/19/19/794431919.db2.gz AJRYTFVGXMOFPL-DMRZNYOFSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221264779 794432345 /nfs/dbraw/zinc/43/23/45/794432345.db2.gz AJRYTFVGXMOFPL-OEAJRASXSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221264780 794431694 /nfs/dbraw/zinc/43/16/94/794431694.db2.gz AJRYTFVGXMOFPL-OJLVUWQFSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221264781 794432053 /nfs/dbraw/zinc/43/20/53/794432053.db2.gz AJRYTFVGXMOFPL-SYAUCNOPSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221264852 794432125 /nfs/dbraw/zinc/43/21/25/794432125.db2.gz BJHDJMLWYLMRHF-MHEUCROKSA-N 2 2 348.407 -2.034 20 0 EAADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221264853 794431645 /nfs/dbraw/zinc/43/16/45/794431645.db2.gz BJHDJMLWYLMRHF-MYPMTAMASA-N 2 2 348.407 -2.034 20 0 EAADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221264854 794431520 /nfs/dbraw/zinc/43/15/20/794431520.db2.gz BJHDJMLWYLMRHF-SPWCGHHHSA-N 2 2 348.407 -2.034 20 0 EAADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221264855 794431401 /nfs/dbraw/zinc/43/14/01/794431401.db2.gz BJHDJMLWYLMRHF-ZGKBOVNRSA-N 2 2 348.407 -2.034 20 0 EAADLP Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c2ccccc21 ZINC001221264866 794432334 /nfs/dbraw/zinc/43/23/34/794432334.db2.gz BNTITOQBGYNLDX-DRPJVOAASA-N 2 2 343.435 -1.433 20 0 EAADLP Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c2ccccc21 ZINC001221264867 794432374 /nfs/dbraw/zinc/43/23/74/794432374.db2.gz BNTITOQBGYNLDX-QCEMKRCNSA-N 2 2 343.435 -1.433 20 0 EAADLP Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c2ccccc21 ZINC001221264868 794432246 /nfs/dbraw/zinc/43/22/46/794432246.db2.gz BNTITOQBGYNLDX-TUUVXOQKSA-N 2 2 343.435 -1.433 20 0 EAADLP Cn1cc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c2ccccc21 ZINC001221264869 794431208 /nfs/dbraw/zinc/43/12/08/794431208.db2.gz BNTITOQBGYNLDX-UKMLZYKCSA-N 2 2 343.435 -1.433 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)COC1(C)C ZINC001221264938 794432077 /nfs/dbraw/zinc/43/20/77/794432077.db2.gz CTTYWBPJISBLHK-AJBSGBCOSA-N 2 2 341.416 -3.184 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)COC1(C)C ZINC001221264939 794431500 /nfs/dbraw/zinc/43/15/00/794431500.db2.gz CTTYWBPJISBLHK-HHKYUTTNSA-N 2 2 341.416 -3.184 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)COC1(C)C ZINC001221264940 794431336 /nfs/dbraw/zinc/43/13/36/794431336.db2.gz CTTYWBPJISBLHK-QHZLYTNSSA-N 2 2 341.416 -3.184 20 0 EAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)COC1(C)C ZINC001221264941 794431196 /nfs/dbraw/zinc/43/11/96/794431196.db2.gz CTTYWBPJISBLHK-QUARPLMYSA-N 2 2 341.416 -3.184 20 0 EAADLP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265078 794431768 /nfs/dbraw/zinc/43/17/68/794431768.db2.gz GDFGEPWWWJXRLV-BVUBDWEXSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265079 794431326 /nfs/dbraw/zinc/43/13/26/794431326.db2.gz GDFGEPWWWJXRLV-DTZQCDIJSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265080 794431531 /nfs/dbraw/zinc/43/15/31/794431531.db2.gz GDFGEPWWWJXRLV-MIGQKNRLSA-N 2 2 341.419 -1.376 20 0 EAADLP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265081 794431593 /nfs/dbraw/zinc/43/15/93/794431593.db2.gz GDFGEPWWWJXRLV-SLBVQIDZSA-N 2 2 341.419 -1.376 20 0 EAADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266541 794433452 /nfs/dbraw/zinc/43/34/52/794433452.db2.gz WZMQZKKPGGAOEI-BQUFFADESA-N 2 2 342.444 -1.655 20 0 EAADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266542 794433561 /nfs/dbraw/zinc/43/35/61/794433561.db2.gz WZMQZKKPGGAOEI-RYDUCSDGSA-N 2 2 342.444 -1.655 20 0 EAADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266543 794433763 /nfs/dbraw/zinc/43/37/63/794433763.db2.gz WZMQZKKPGGAOEI-XYJRDEOASA-N 2 2 342.444 -1.655 20 0 EAADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266544 794433714 /nfs/dbraw/zinc/43/37/14/794433714.db2.gz WZMQZKKPGGAOEI-ZBAXXZLZSA-N 2 2 342.444 -1.655 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278436 794434039 /nfs/dbraw/zinc/43/40/39/794434039.db2.gz SMCBAOHABLKKRG-SECBINFHSA-N 2 2 325.335 -1.469 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278437 794433376 /nfs/dbraw/zinc/43/33/76/794433376.db2.gz SMCBAOHABLKKRG-VIFPVBQESA-N 2 2 325.335 -1.469 20 0 EAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337559 794433549 /nfs/dbraw/zinc/43/35/49/794433549.db2.gz SCNXORYXFMZBPC-GFCCVEGCSA-N 2 2 333.458 -2.112 20 0 EAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337564 794433913 /nfs/dbraw/zinc/43/39/13/794433913.db2.gz SCNXORYXFMZBPC-LBPRGKRZSA-N 2 2 333.458 -2.112 20 0 EAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001221347844 794435974 /nfs/dbraw/zinc/43/59/74/794435974.db2.gz DNPAAARQPYALIY-SRVKXCTJSA-N 2 2 334.380 -1.725 20 0 EAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001221347844 794435969 /nfs/dbraw/zinc/43/59/69/794435969.db2.gz DNPAAARQPYALIY-SRVKXCTJSA-N 2 2 334.380 -1.725 20 0 EAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001221348120 794435872 /nfs/dbraw/zinc/43/58/72/794435872.db2.gz GGXCAYNNCQTLKA-CYDGBPFRSA-N 2 2 348.407 -1.349 20 0 EAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001221348120 794435871 /nfs/dbraw/zinc/43/58/71/794435871.db2.gz GGXCAYNNCQTLKA-CYDGBPFRSA-N 2 2 348.407 -1.349 20 0 EAADLP C[NH2+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348815 794436017 /nfs/dbraw/zinc/43/60/17/794436017.db2.gz NKUDVRDIXUXYSW-RYUDHWBXSA-N 2 2 336.396 -1.477 20 0 EAADLP C[NH2+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348815 794436013 /nfs/dbraw/zinc/43/60/13/794436013.db2.gz NKUDVRDIXUXYSW-RYUDHWBXSA-N 2 2 336.396 -1.477 20 0 EAADLP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349997 794435252 /nfs/dbraw/zinc/43/52/52/794435252.db2.gz LUKBDSAFSLGELR-NAKRPEOUSA-N 2 2 328.413 -1.116 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221358797 794435712 /nfs/dbraw/zinc/43/57/12/794435712.db2.gz RHFNGORIZZZEJP-AVGNSLFASA-N 2 2 344.456 -1.326 20 0 EAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221358799 794435419 /nfs/dbraw/zinc/43/54/19/794435419.db2.gz RHFNGORIZZZEJP-RWMBFGLXSA-N 2 2 344.456 -1.326 20 0 EAADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001221392434 794435652 /nfs/dbraw/zinc/43/56/52/794435652.db2.gz WIZJBAYLLBWOTP-CYBMUJFWSA-N 4 2 327.477 -1.199 20 0 EAADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001221392437 794435734 /nfs/dbraw/zinc/43/57/34/794435734.db2.gz WIZJBAYLLBWOTP-ZDUSSCGKSA-N 4 2 327.477 -1.199 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221461577 794436598 /nfs/dbraw/zinc/43/65/98/794436598.db2.gz PSJZZAWXNMUUPS-KFWWJZLASA-N 2 2 327.425 -1.141 20 0 EAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221461577 794436594 /nfs/dbraw/zinc/43/65/94/794436594.db2.gz PSJZZAWXNMUUPS-KFWWJZLASA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221461577 794436588 /nfs/dbraw/zinc/43/65/88/794436588.db2.gz PSJZZAWXNMUUPS-KFWWJZLASA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221461577 794436581 /nfs/dbraw/zinc/43/65/81/794436581.db2.gz PSJZZAWXNMUUPS-KFWWJZLASA-N 2 2 327.425 -1.141 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221461578 794437962 /nfs/dbraw/zinc/43/79/62/794437962.db2.gz PSJZZAWXNMUUPS-RBSFLKMASA-N 2 2 327.425 -1.141 20 0 EAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221461578 794437955 /nfs/dbraw/zinc/43/79/55/794437955.db2.gz PSJZZAWXNMUUPS-RBSFLKMASA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221461578 794437951 /nfs/dbraw/zinc/43/79/51/794437951.db2.gz PSJZZAWXNMUUPS-RBSFLKMASA-N 2 2 327.425 -1.141 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221461578 794437945 /nfs/dbraw/zinc/43/79/45/794437945.db2.gz PSJZZAWXNMUUPS-RBSFLKMASA-N 2 2 327.425 -1.141 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221691647 794448904 /nfs/dbraw/zinc/44/89/04/794448904.db2.gz RLBCPUZFWKYHNR-VXGBXAGGSA-N 2 2 334.380 -1.081 20 0 EAADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221691647 794448902 /nfs/dbraw/zinc/44/89/02/794448902.db2.gz RLBCPUZFWKYHNR-VXGBXAGGSA-N 2 2 334.380 -1.081 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789253 794452595 /nfs/dbraw/zinc/45/25/95/794452595.db2.gz MFWJHWBEWYCVTM-VXGBXAGGSA-N 2 2 325.413 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789253 794452590 /nfs/dbraw/zinc/45/25/90/794452590.db2.gz MFWJHWBEWYCVTM-VXGBXAGGSA-N 2 2 325.413 -1.074 20 0 EAADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221947187 794455843 /nfs/dbraw/zinc/45/58/43/794455843.db2.gz WVUUIMUKLFMARB-VXGBXAGGSA-N 2 2 341.412 -1.708 20 0 EAADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221947187 794455841 /nfs/dbraw/zinc/45/58/41/794455841.db2.gz WVUUIMUKLFMARB-VXGBXAGGSA-N 2 2 341.412 -1.708 20 0 EAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948229 794456295 /nfs/dbraw/zinc/45/62/95/794456295.db2.gz LTXIFUZJSHETRE-VXGBXAGGSA-N 2 2 335.408 -1.190 20 0 EAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948229 794456288 /nfs/dbraw/zinc/45/62/88/794456288.db2.gz LTXIFUZJSHETRE-VXGBXAGGSA-N 2 2 335.408 -1.190 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014267 794458168 /nfs/dbraw/zinc/45/81/68/794458168.db2.gz YWKKAZYLHOPNCJ-FRRDWIJNSA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014267 794458166 /nfs/dbraw/zinc/45/81/66/794458166.db2.gz YWKKAZYLHOPNCJ-FRRDWIJNSA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014267 794458162 /nfs/dbraw/zinc/45/81/62/794458162.db2.gz YWKKAZYLHOPNCJ-FRRDWIJNSA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014267 794458159 /nfs/dbraw/zinc/45/81/59/794458159.db2.gz YWKKAZYLHOPNCJ-FRRDWIJNSA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014268 794458607 /nfs/dbraw/zinc/45/86/07/794458607.db2.gz YWKKAZYLHOPNCJ-JHJVBQTASA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014268 794458603 /nfs/dbraw/zinc/45/86/03/794458603.db2.gz YWKKAZYLHOPNCJ-JHJVBQTASA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014268 794458596 /nfs/dbraw/zinc/45/85/96/794458596.db2.gz YWKKAZYLHOPNCJ-JHJVBQTASA-N 2 2 337.424 -1.074 20 0 EAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014268 794458587 /nfs/dbraw/zinc/45/85/87/794458587.db2.gz YWKKAZYLHOPNCJ-JHJVBQTASA-N 2 2 337.424 -1.074 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001222016646 794458077 /nfs/dbraw/zinc/45/80/77/794458077.db2.gz UNTHUNHXRIRPTC-VXGBXAGGSA-N 2 2 334.380 -1.081 20 0 EAADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001222016646 794458067 /nfs/dbraw/zinc/45/80/67/794458067.db2.gz UNTHUNHXRIRPTC-VXGBXAGGSA-N 2 2 334.380 -1.081 20 0 EAADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC(=O)NC4(CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001222515203 794465140 /nfs/dbraw/zinc/46/51/40/794465140.db2.gz NLFMJINXLDYWNP-GHYVTOPFSA-N 2 2 341.408 -1.222 20 0 EAADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC(=O)NC4(CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001222515203 794465136 /nfs/dbraw/zinc/46/51/36/794465136.db2.gz NLFMJINXLDYWNP-GHYVTOPFSA-N 2 2 341.408 -1.222 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001222682533 794466919 /nfs/dbraw/zinc/46/69/19/794466919.db2.gz WROQLPUGRNQJND-GFCCVEGCSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001222682533 794466917 /nfs/dbraw/zinc/46/69/17/794466917.db2.gz WROQLPUGRNQJND-GFCCVEGCSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001222682534 794466458 /nfs/dbraw/zinc/46/64/58/794466458.db2.gz WROQLPUGRNQJND-LBPRGKRZSA-N 2 2 341.412 -1.660 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001222682534 794466454 /nfs/dbraw/zinc/46/64/54/794466454.db2.gz WROQLPUGRNQJND-LBPRGKRZSA-N 2 2 341.412 -1.660 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225167961 794490175 /nfs/dbraw/zinc/49/01/75/794490175.db2.gz HPCXCZUIFQBGHG-UHFFFAOYSA-N 2 2 336.396 -1.014 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC001226722024 794502979 /nfs/dbraw/zinc/50/29/79/794502979.db2.gz DKIVRJZAXPBJKU-CYBMUJFWSA-N 2 2 348.469 -1.553 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC001226722024 794502975 /nfs/dbraw/zinc/50/29/75/794502975.db2.gz DKIVRJZAXPBJKU-CYBMUJFWSA-N 2 2 348.469 -1.553 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC001226722027 794504014 /nfs/dbraw/zinc/50/40/14/794504014.db2.gz DKIVRJZAXPBJKU-ZDUSSCGKSA-N 2 2 348.469 -1.553 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC001226722027 794504007 /nfs/dbraw/zinc/50/40/07/794504007.db2.gz DKIVRJZAXPBJKU-ZDUSSCGKSA-N 2 2 348.469 -1.553 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722074 794503056 /nfs/dbraw/zinc/50/30/56/794503056.db2.gz FPEYJRXZYVTECQ-CMPLNLGQSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722074 794503051 /nfs/dbraw/zinc/50/30/51/794503051.db2.gz FPEYJRXZYVTECQ-CMPLNLGQSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722077 794503146 /nfs/dbraw/zinc/50/31/46/794503146.db2.gz FPEYJRXZYVTECQ-JQWIXIFHSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722077 794503142 /nfs/dbraw/zinc/50/31/42/794503142.db2.gz FPEYJRXZYVTECQ-JQWIXIFHSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722079 794503359 /nfs/dbraw/zinc/50/33/59/794503359.db2.gz FPEYJRXZYVTECQ-PWSUYJOCSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722079 794503352 /nfs/dbraw/zinc/50/33/52/794503352.db2.gz FPEYJRXZYVTECQ-PWSUYJOCSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722080 794504155 /nfs/dbraw/zinc/50/41/55/794504155.db2.gz FPEYJRXZYVTECQ-ZYHUDNBSSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722080 794504149 /nfs/dbraw/zinc/50/41/49/794504149.db2.gz FPEYJRXZYVTECQ-ZYHUDNBSSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)O1 ZINC001227954690 794521206 /nfs/dbraw/zinc/52/12/06/794521206.db2.gz XCRHNXXCRQEGHQ-ZYHUDNBSSA-N 2 2 341.412 -1.519 20 0 EAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)O1 ZINC001227954690 794521200 /nfs/dbraw/zinc/52/12/00/794521200.db2.gz XCRHNXXCRQEGHQ-ZYHUDNBSSA-N 2 2 341.412 -1.519 20 0 EAADLP NC(=O)NC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229625660 794541355 /nfs/dbraw/zinc/54/13/55/794541355.db2.gz LSHMZWMAZVSUGF-UHFFFAOYSA-N 2 2 341.412 -1.516 20 0 EAADLP Cn1[nH]c(C[NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)nc1=O ZINC001230048563 794544864 /nfs/dbraw/zinc/54/48/64/794544864.db2.gz HXAFFJPPTGRGDH-UHFFFAOYSA-N 2 2 340.428 -1.233 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230307323 794551894 /nfs/dbraw/zinc/55/18/94/794551894.db2.gz UJPQCHMKCDSREX-GFCCVEGCSA-N 2 2 341.412 -1.517 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230307323 794551889 /nfs/dbraw/zinc/55/18/89/794551889.db2.gz UJPQCHMKCDSREX-GFCCVEGCSA-N 2 2 341.412 -1.517 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230307324 794552623 /nfs/dbraw/zinc/55/26/23/794552623.db2.gz UJPQCHMKCDSREX-LBPRGKRZSA-N 2 2 341.412 -1.517 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230307324 794552616 /nfs/dbraw/zinc/55/26/16/794552616.db2.gz UJPQCHMKCDSREX-LBPRGKRZSA-N 2 2 341.412 -1.517 20 0 EAADLP Cc1nc(NS(=O)(=O)CC[NH3+])cc(N2CC[NH+](CCO)CC2)n1 ZINC001237492639 794652367 /nfs/dbraw/zinc/65/23/67/794652367.db2.gz JCZXQFYNBRVLER-UHFFFAOYSA-N 2 2 344.441 -1.400 20 0 EAADLP [NH3+]CCS(=O)(=O)Nc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001237514481 794652845 /nfs/dbraw/zinc/65/28/45/794652845.db2.gz JQFKHBRGFPNDQV-UHFFFAOYSA-N 2 2 330.414 -1.709 20 0 EAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001238837193 794664704 /nfs/dbraw/zinc/66/47/04/794664704.db2.gz BBTNALCENDDIGZ-UHFFFAOYSA-N 2 2 327.366 -1.132 20 0 EAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001238839680 794664300 /nfs/dbraw/zinc/66/43/00/794664300.db2.gz VEJBAMWSJVQEHL-UHFFFAOYSA-N 2 2 329.426 -1.255 20 0 EAADLP COC(=O)[C@@H](NC(=O)N1CC[NH2+]CCNCC[NH2+]CC1)C(C)C ZINC001239286435 794666989 /nfs/dbraw/zinc/66/69/89/794666989.db2.gz JEPUHEPVKGWXQH-ZDUSSCGKSA-N 2 2 329.445 -1.022 20 0 EAADLP CCOC(=O)CCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438119 794667584 /nfs/dbraw/zinc/66/75/84/794667584.db2.gz BPSALCBGNSMHSJ-UHFFFAOYSA-N 2 2 331.486 -1.102 20 0 EAADLP CCOC(=O)[C@@H](C)NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438585 794667560 /nfs/dbraw/zinc/66/75/60/794667560.db2.gz GNZFUVAOBYZOPE-GFCCVEGCSA-N 2 2 331.486 -1.103 20 0 EAADLP CCOC(=O)[C@H](C)NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438592 794667638 /nfs/dbraw/zinc/66/76/38/794667638.db2.gz GNZFUVAOBYZOPE-LBPRGKRZSA-N 2 2 331.486 -1.103 20 0 EAADLP C[S@](=O)CCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438961 794667068 /nfs/dbraw/zinc/66/70/68/794667068.db2.gz LQJVUVFNQCZDJH-NRFANRHFSA-N 2 2 335.543 -1.286 20 0 EAADLP C[S@@](=O)CCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438962 794667101 /nfs/dbraw/zinc/66/71/01/794667101.db2.gz LQJVUVFNQCZDJH-OAQYLSRUSA-N 2 2 335.543 -1.286 20 0 EAADLP S=C(NCCN1CCOCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439252 794667478 /nfs/dbraw/zinc/66/74/78/794667478.db2.gz ORIBSHLPZZJWMS-UHFFFAOYSA-N 2 2 344.529 -1.723 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984938 794671461 /nfs/dbraw/zinc/67/14/61/794671461.db2.gz ZFZIHPNDUBBYLK-BFHYXJOUSA-N 3 2 329.441 -1.017 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984946 794671310 /nfs/dbraw/zinc/67/13/10/794671310.db2.gz ZFZIHPNDUBBYLK-MCIONIFRSA-N 3 2 329.441 -1.017 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984950 794671160 /nfs/dbraw/zinc/67/11/60/794671160.db2.gz ZFZIHPNDUBBYLK-MGPQQGTHSA-N 3 2 329.441 -1.017 20 0 EAADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984954 794670484 /nfs/dbraw/zinc/67/04/84/794670484.db2.gz ZFZIHPNDUBBYLK-MJBXVCDLSA-N 3 2 329.441 -1.017 20 0 EAADLP COC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007968 794670726 /nfs/dbraw/zinc/67/07/26/794670726.db2.gz ZQIVBWPFJGSAJX-KBPBESRZSA-N 3 2 329.441 -1.017 20 0 EAADLP COC(=O)[C@@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007969 794671326 /nfs/dbraw/zinc/67/13/26/794671326.db2.gz ZQIVBWPFJGSAJX-KGLIPLIRSA-N 3 2 329.441 -1.017 20 0 EAADLP COC(=O)[C@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007972 794671352 /nfs/dbraw/zinc/67/13/52/794671352.db2.gz ZQIVBWPFJGSAJX-UONOGXRCSA-N 3 2 329.441 -1.017 20 0 EAADLP COC(=O)[C@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007974 794670559 /nfs/dbraw/zinc/67/05/59/794670559.db2.gz ZQIVBWPFJGSAJX-ZIAGYGMSSA-N 3 2 329.441 -1.017 20 0 EAADLP O[C@H](C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032957 794670879 /nfs/dbraw/zinc/67/08/79/794670879.db2.gz NCLJXILASBJLMB-DOTOQJQBSA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@H](C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032957 794670874 /nfs/dbraw/zinc/67/08/74/794670874.db2.gz NCLJXILASBJLMB-DOTOQJQBSA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@@H](C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032961 794671543 /nfs/dbraw/zinc/67/15/43/794671543.db2.gz NCLJXILASBJLMB-NVXWUHKLSA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@@H](C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032961 794671539 /nfs/dbraw/zinc/67/15/39/794671539.db2.gz NCLJXILASBJLMB-NVXWUHKLSA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@H](C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032962 794671102 /nfs/dbraw/zinc/67/11/02/794671102.db2.gz NCLJXILASBJLMB-RDJZCZTQSA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@H](C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032962 794671099 /nfs/dbraw/zinc/67/10/99/794671099.db2.gz NCLJXILASBJLMB-RDJZCZTQSA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@@H](C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032963 794671491 /nfs/dbraw/zinc/67/14/91/794671491.db2.gz NCLJXILASBJLMB-WBVHZDCISA-N 3 2 343.468 -1.067 20 0 EAADLP O[C@@H](C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032963 794671485 /nfs/dbraw/zinc/67/14/85/794671485.db2.gz NCLJXILASBJLMB-WBVHZDCISA-N 3 2 343.468 -1.067 20 0 EAADLP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)C[NH+]1CCOCC1 ZINC001246057075 794671063 /nfs/dbraw/zinc/67/10/63/794671063.db2.gz XQRISSTUBSXSFH-AWEZNQCLSA-N 3 2 331.461 -2.205 20 0 EAADLP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)C[NH+]1CCOCC1 ZINC001246057079 794671294 /nfs/dbraw/zinc/67/12/94/794671294.db2.gz XQRISSTUBSXSFH-CQSZACIVSA-N 3 2 331.461 -2.205 20 0 EAADLP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246103521 794673074 /nfs/dbraw/zinc/67/30/74/794673074.db2.gz VSTPNUDVBAHBJY-GXTWGEPZSA-N 2 2 348.469 -1.505 20 0 EAADLP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246103563 794673100 /nfs/dbraw/zinc/67/31/00/794673100.db2.gz VSTPNUDVBAHBJY-JSGCOSHPSA-N 2 2 348.469 -1.505 20 0 EAADLP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246103566 794672282 /nfs/dbraw/zinc/67/22/82/794672282.db2.gz VSTPNUDVBAHBJY-OCCSQVGLSA-N 2 2 348.469 -1.505 20 0 EAADLP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246103570 794672759 /nfs/dbraw/zinc/67/27/59/794672759.db2.gz VSTPNUDVBAHBJY-TZMCWYRMSA-N 2 2 348.469 -1.505 20 0 EAADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246132256 794672268 /nfs/dbraw/zinc/67/22/68/794672268.db2.gz LIWPLVZFUYXZDY-DMDPSCGWSA-N 2 2 331.438 -1.211 20 0 EAADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246132264 794672521 /nfs/dbraw/zinc/67/25/21/794672521.db2.gz LIWPLVZFUYXZDY-GMXVVIOVSA-N 2 2 331.438 -1.211 20 0 EAADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246132267 794673014 /nfs/dbraw/zinc/67/30/14/794673014.db2.gz LIWPLVZFUYXZDY-NQBHXWOUSA-N 2 2 331.438 -1.211 20 0 EAADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246132269 794672161 /nfs/dbraw/zinc/67/21/61/794672161.db2.gz LIWPLVZFUYXZDY-NTZNESFSSA-N 2 2 331.438 -1.211 20 0 EAADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]1 ZINC001246185943 794672509 /nfs/dbraw/zinc/67/25/09/794672509.db2.gz XKXACKRRICQAJG-BJDJZHNGSA-N 2 2 328.438 -1.257 20 0 EAADLP COC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]1 ZINC001246185944 794672891 /nfs/dbraw/zinc/67/28/91/794672891.db2.gz XKXACKRRICQAJG-RHYQMDGZSA-N 2 2 328.438 -1.257 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]1 ZINC001246185945 794672024 /nfs/dbraw/zinc/67/20/24/794672024.db2.gz XKXACKRRICQAJG-USZNOCQGSA-N 2 2 328.438 -1.257 20 0 EAADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]1 ZINC001246185946 794672798 /nfs/dbraw/zinc/67/27/98/794672798.db2.gz XKXACKRRICQAJG-WYUUTHIRSA-N 2 2 328.438 -1.257 20 0 EAADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC001246212973 794672397 /nfs/dbraw/zinc/67/23/97/794672397.db2.gz PHBHWMYOGRGRHC-NDLNZWKESA-N 2 2 349.395 -1.631 20 0 EAADLP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC001246274917 794674235 /nfs/dbraw/zinc/67/42/35/794674235.db2.gz NVWBTPAGRMTCBD-INIZCTEOSA-N 3 2 349.472 -1.020 20 0 EAADLP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246274925 794674288 /nfs/dbraw/zinc/67/42/88/794674288.db2.gz NVWBTPAGRMTCBD-MRXNPFEDSA-N 3 2 349.472 -1.020 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246306815 794673536 /nfs/dbraw/zinc/67/35/36/794673536.db2.gz ZAXUWHOCGONHHT-FOSCPWQOSA-N 2 2 326.397 -1.346 20 0 EAADLP O=C([C@@H]1C[C@@H](NCCN2CC[NH2+]CC2=O)C[NH2+]1)N1CCSC1 ZINC001246358199 794674064 /nfs/dbraw/zinc/67/40/64/794674064.db2.gz YLGUTZNLDGHVMR-NEPJUHHUSA-N 2 2 327.454 -1.729 20 0 EAADLP O=C([C@@H]1C[C@H](NCCN2CC[NH2+]CC2=O)C[NH2+]1)N1CCSC1 ZINC001246358200 794674021 /nfs/dbraw/zinc/67/40/21/794674021.db2.gz YLGUTZNLDGHVMR-RYUDHWBXSA-N 2 2 327.454 -1.729 20 0 EAADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246483217 794675350 /nfs/dbraw/zinc/67/53/50/794675350.db2.gz PNERKTBVYJAYGE-DCAQKATOSA-N 2 2 328.413 -1.101 20 0 EAADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC[NH2+]1 ZINC001246484433 794674911 /nfs/dbraw/zinc/67/49/11/794674911.db2.gz GTFNXPWOGIFUGY-SRVKXCTJSA-N 2 2 325.413 -1.691 20 0 EAADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC[NH2+]1 ZINC001246484437 794675379 /nfs/dbraw/zinc/67/53/79/794675379.db2.gz GTFNXPWOGIFUGY-TUAOUCFPSA-N 2 2 325.413 -1.691 20 0 EAADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC[NH2+]1 ZINC001246484439 794674930 /nfs/dbraw/zinc/67/49/30/794674930.db2.gz GTFNXPWOGIFUGY-UTUOFQBUSA-N 2 2 325.413 -1.691 20 0 EAADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC[NH2+]1 ZINC001246484443 794675628 /nfs/dbraw/zinc/67/56/28/794675628.db2.gz GTFNXPWOGIFUGY-WOPDTQHZSA-N 2 2 325.413 -1.691 20 0 EAADLP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246488013 794675237 /nfs/dbraw/zinc/67/52/37/794675237.db2.gz VGNRIVFFDLDCPO-HNGCFSAESA-N 2 2 337.424 -1.549 20 0 EAADLP O=C(CC[NH2+]C[C@H](O)CN1CCOCC1)NCCc1c[nH+]c[nH]1 ZINC001251043167 794681692 /nfs/dbraw/zinc/68/16/92/794681692.db2.gz MNTMVWVSIXKIRD-AWEZNQCLSA-N 2 2 325.413 -1.259 20 0 EAADLP O=C(CC[NH2+]C[C@H](O)CN1CCOCC1)NCCc1c[nH]c[nH+]1 ZINC001251043167 794681687 /nfs/dbraw/zinc/68/16/87/794681687.db2.gz MNTMVWVSIXKIRD-AWEZNQCLSA-N 2 2 325.413 -1.259 20 0 EAADLP O=C(CC[NH2+]C[C@@H](O)CN1CCOCC1)NCCc1c[nH+]c[nH]1 ZINC001251043168 794681767 /nfs/dbraw/zinc/68/17/67/794681767.db2.gz MNTMVWVSIXKIRD-CQSZACIVSA-N 2 2 325.413 -1.259 20 0 EAADLP O=C(CC[NH2+]C[C@@H](O)CN1CCOCC1)NCCc1c[nH]c[nH+]1 ZINC001251043168 794681762 /nfs/dbraw/zinc/68/17/62/794681762.db2.gz MNTMVWVSIXKIRD-CQSZACIVSA-N 2 2 325.413 -1.259 20 0 EAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](C[C@H](O)CO)CC2 ZINC001252057095 794686019 /nfs/dbraw/zinc/68/60/19/794686019.db2.gz FBABPNGJFRDMKS-LBPRGKRZSA-N 2 2 337.424 -1.481 20 0 EAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](C[C@H](O)CO)CC2 ZINC001252057095 794686015 /nfs/dbraw/zinc/68/60/15/794686015.db2.gz FBABPNGJFRDMKS-LBPRGKRZSA-N 2 2 337.424 -1.481 20 0 EAADLP COC(=O)[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252408926 794687451 /nfs/dbraw/zinc/68/74/51/794687451.db2.gz AREUXKVKWRCFCA-GFCCVEGCSA-N 2 2 339.396 -1.155 20 0 EAADLP COC(=O)[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252408936 794687815 /nfs/dbraw/zinc/68/78/15/794687815.db2.gz AREUXKVKWRCFCA-LBPRGKRZSA-N 2 2 339.396 -1.155 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069837 794738093 /nfs/dbraw/zinc/73/80/93/794738093.db2.gz MGVLRGRKTAZMLK-UHFFFAOYSA-N 2 2 340.424 -1.002 20 0 EAADLP C[NH+]1CCC([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001256201936 794738852 /nfs/dbraw/zinc/73/88/52/794738852.db2.gz UEDIFUMOLAXZGR-LBPRGKRZSA-N 2 2 325.413 -1.737 20 0 EAADLP CC(C)(C)[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001256566983 794742242 /nfs/dbraw/zinc/74/22/42/794742242.db2.gz QRWHKNRRUYCREZ-UHFFFAOYSA-N 2 2 327.429 -1.443 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256616380 794742599 /nfs/dbraw/zinc/74/25/99/794742599.db2.gz RLOMQMWMLIKZEP-YHWZYXNKSA-N 2 2 340.424 -1.003 20 0 EAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256616380 794742591 /nfs/dbraw/zinc/74/25/91/794742591.db2.gz RLOMQMWMLIKZEP-YHWZYXNKSA-N 2 2 340.424 -1.003 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001257096959 794744591 /nfs/dbraw/zinc/74/45/91/794744591.db2.gz RIZMXVJDKOTSCV-CYBMUJFWSA-N 2 2 339.440 -1.477 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001257096959 794744586 /nfs/dbraw/zinc/74/45/86/794744586.db2.gz RIZMXVJDKOTSCV-CYBMUJFWSA-N 2 2 339.440 -1.477 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001257096960 794744607 /nfs/dbraw/zinc/74/46/07/794744607.db2.gz RIZMXVJDKOTSCV-ZDUSSCGKSA-N 2 2 339.440 -1.477 20 0 EAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC001257096960 794744606 /nfs/dbraw/zinc/74/46/06/794744606.db2.gz RIZMXVJDKOTSCV-ZDUSSCGKSA-N 2 2 339.440 -1.477 20 0 EAADLP CC(C)C[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001258009263 794750560 /nfs/dbraw/zinc/75/05/60/794750560.db2.gz TXTBJWFORKGEOM-UHFFFAOYSA-N 2 2 327.429 -1.586 20 0 EAADLP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC001261383346 794780682 /nfs/dbraw/zinc/78/06/82/794780682.db2.gz JLFLRWMIJBOVTH-CYBMUJFWSA-N 2 2 344.456 -1.094 20 0 EAADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC001261383347 794780961 /nfs/dbraw/zinc/78/09/61/794780961.db2.gz JLFLRWMIJBOVTH-ZDUSSCGKSA-N 2 2 344.456 -1.094 20 0 EAADLP CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001261853253 794803052 /nfs/dbraw/zinc/80/30/52/794803052.db2.gz BZWZJLLEJGAPKS-HNNXBMFYSA-N 2 2 347.529 -1.211 20 0 EAADLP CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001261853253 794803048 /nfs/dbraw/zinc/80/30/48/794803048.db2.gz BZWZJLLEJGAPKS-HNNXBMFYSA-N 2 2 347.529 -1.211 20 0 EAADLP CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001261853254 794803184 /nfs/dbraw/zinc/80/31/84/794803184.db2.gz BZWZJLLEJGAPKS-OAHLLOKOSA-N 2 2 347.529 -1.211 20 0 EAADLP CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001261853254 794803172 /nfs/dbraw/zinc/80/31/72/794803172.db2.gz BZWZJLLEJGAPKS-OAHLLOKOSA-N 2 2 347.529 -1.211 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063902 794808910 /nfs/dbraw/zinc/80/89/10/794808910.db2.gz MHRAVVOZIQLYDR-IPYPFGDCSA-N 3 2 335.452 -1.156 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063902 794808906 /nfs/dbraw/zinc/80/89/06/794808906.db2.gz MHRAVVOZIQLYDR-IPYPFGDCSA-N 3 2 335.452 -1.156 20 0 EAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063903 794808072 /nfs/dbraw/zinc/80/80/72/794808072.db2.gz MHRAVVOZIQLYDR-YDHLFZDLSA-N 3 2 335.452 -1.156 20 0 EAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063903 794808064 /nfs/dbraw/zinc/80/80/64/794808064.db2.gz MHRAVVOZIQLYDR-YDHLFZDLSA-N 3 2 335.452 -1.156 20 0 EAADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001262068782 794808866 /nfs/dbraw/zinc/80/88/66/794808866.db2.gz KUWQOHBFYJHQMA-CYBMUJFWSA-N 2 2 325.457 -1.064 20 0 EAADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001262068783 794807944 /nfs/dbraw/zinc/80/79/44/794807944.db2.gz KUWQOHBFYJHQMA-ZDUSSCGKSA-N 2 2 325.457 -1.064 20 0 EAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001262548818 794817102 /nfs/dbraw/zinc/81/71/02/794817102.db2.gz CJRMWURJLNDUHA-UKRRQHHQSA-N 2 2 337.468 -1.051 20 0 EAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263164402 794817963 /nfs/dbraw/zinc/81/79/63/794817963.db2.gz 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ZINC001265819309 794872221 /nfs/dbraw/zinc/87/22/21/794872221.db2.gz FVQOLYNGHLBZRZ-GFCCVEGCSA-N 2 2 343.428 -1.399 20 0 EAADLP CCNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001265819310 794872758 /nfs/dbraw/zinc/87/27/58/794872758.db2.gz FVQOLYNGHLBZRZ-LBPRGKRZSA-N 2 2 343.428 -1.399 20 0 EAADLP CCNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001265819310 794872752 /nfs/dbraw/zinc/87/27/52/794872752.db2.gz FVQOLYNGHLBZRZ-LBPRGKRZSA-N 2 2 343.428 -1.399 20 0 EAADLP CCNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819310 794872744 /nfs/dbraw/zinc/87/27/44/794872744.db2.gz FVQOLYNGHLBZRZ-LBPRGKRZSA-N 2 2 343.428 -1.399 20 0 EAADLP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819310 794872739 /nfs/dbraw/zinc/87/27/39/794872739.db2.gz FVQOLYNGHLBZRZ-LBPRGKRZSA-N 2 2 343.428 -1.399 20 0 EAADLP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265897584 794879115 /nfs/dbraw/zinc/87/91/15/794879115.db2.gz 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ZINC001266259459 785068994 /nfs/dbraw/zinc/06/89/94/785068994.db2.gz DLBPXJNFNKTFGM-ZIAGYGMSSA-N 2 2 341.456 -1.685 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)C1 ZINC001266277715 785076015 /nfs/dbraw/zinc/07/60/15/785076015.db2.gz NKUYOXTZJGESBQ-AWEZNQCLSA-N 2 2 341.456 -1.684 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)C1 ZINC001266277715 785076008 /nfs/dbraw/zinc/07/60/08/785076008.db2.gz NKUYOXTZJGESBQ-AWEZNQCLSA-N 2 2 341.456 -1.684 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)C1 ZINC001266277716 785075854 /nfs/dbraw/zinc/07/58/54/785075854.db2.gz NKUYOXTZJGESBQ-CQSZACIVSA-N 2 2 341.456 -1.684 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)C1 ZINC001266277716 785075843 /nfs/dbraw/zinc/07/58/43/785075843.db2.gz NKUYOXTZJGESBQ-CQSZACIVSA-N 2 2 341.456 -1.684 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001266277861 785075253 /nfs/dbraw/zinc/07/52/53/785075253.db2.gz SZYVGTJTQBIWKV-HNNXBMFYSA-N 2 2 328.457 -1.177 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001266277861 785075245 /nfs/dbraw/zinc/07/52/45/785075245.db2.gz SZYVGTJTQBIWKV-HNNXBMFYSA-N 2 2 328.457 -1.177 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001266277862 785075090 /nfs/dbraw/zinc/07/50/90/785075090.db2.gz SZYVGTJTQBIWKV-OAHLLOKOSA-N 2 2 328.457 -1.177 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH+](CCO)CC2)C1 ZINC001266277862 785075086 /nfs/dbraw/zinc/07/50/86/785075086.db2.gz SZYVGTJTQBIWKV-OAHLLOKOSA-N 2 2 328.457 -1.177 20 0 EAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383907 785099298 /nfs/dbraw/zinc/09/92/98/785099298.db2.gz ZQSLPGXIFMTVAG-NEPJUHHUSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383907 785099287 /nfs/dbraw/zinc/09/92/87/785099287.db2.gz ZQSLPGXIFMTVAG-NEPJUHHUSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383907 785099275 /nfs/dbraw/zinc/09/92/75/785099275.db2.gz ZQSLPGXIFMTVAG-NEPJUHHUSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383907 785099268 /nfs/dbraw/zinc/09/92/68/785099268.db2.gz ZQSLPGXIFMTVAG-NEPJUHHUSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383908 785099199 /nfs/dbraw/zinc/09/91/99/785099199.db2.gz ZQSLPGXIFMTVAG-NWDGAFQWSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383908 785099187 /nfs/dbraw/zinc/09/91/87/785099187.db2.gz ZQSLPGXIFMTVAG-NWDGAFQWSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383908 785099177 /nfs/dbraw/zinc/09/91/77/785099177.db2.gz ZQSLPGXIFMTVAG-NWDGAFQWSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383908 785099166 /nfs/dbraw/zinc/09/91/66/785099166.db2.gz ZQSLPGXIFMTVAG-NWDGAFQWSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383909 785099110 /nfs/dbraw/zinc/09/91/10/785099110.db2.gz ZQSLPGXIFMTVAG-RYUDHWBXSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383909 785099100 /nfs/dbraw/zinc/09/91/00/785099100.db2.gz ZQSLPGXIFMTVAG-RYUDHWBXSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383909 785099088 /nfs/dbraw/zinc/09/90/88/785099088.db2.gz ZQSLPGXIFMTVAG-RYUDHWBXSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001266383909 785099077 /nfs/dbraw/zinc/09/90/77/785099077.db2.gz ZQSLPGXIFMTVAG-RYUDHWBXSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383910 785098402 /nfs/dbraw/zinc/09/84/02/785098402.db2.gz ZQSLPGXIFMTVAG-VXGBXAGGSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383910 785098390 /nfs/dbraw/zinc/09/83/90/785098390.db2.gz ZQSLPGXIFMTVAG-VXGBXAGGSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383910 785098379 /nfs/dbraw/zinc/09/83/79/785098379.db2.gz ZQSLPGXIFMTVAG-VXGBXAGGSA-N 2 2 326.397 -1.440 20 0 EAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001266383910 785098368 /nfs/dbraw/zinc/09/83/68/785098368.db2.gz ZQSLPGXIFMTVAG-VXGBXAGGSA-N 2 2 326.397 -1.440 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001266437017 785105581 /nfs/dbraw/zinc/10/55/81/785105581.db2.gz PKCDVTSGQVUMEN-LLVKDONJSA-N 2 2 334.380 -1.012 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001266437018 785106011 /nfs/dbraw/zinc/10/60/11/785106011.db2.gz PKCDVTSGQVUMEN-NSHDSACASA-N 2 2 334.380 -1.012 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001266545916 785121395 /nfs/dbraw/zinc/12/13/95/785121395.db2.gz RDNWXZDBYDYHDV-GFCCVEGCSA-N 2 2 348.407 -1.048 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001266545916 785121384 /nfs/dbraw/zinc/12/13/84/785121384.db2.gz RDNWXZDBYDYHDV-GFCCVEGCSA-N 2 2 348.407 -1.048 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001266545917 785121827 /nfs/dbraw/zinc/12/18/27/785121827.db2.gz RDNWXZDBYDYHDV-LBPRGKRZSA-N 2 2 348.407 -1.048 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001266545917 785121825 /nfs/dbraw/zinc/12/18/25/785121825.db2.gz RDNWXZDBYDYHDV-LBPRGKRZSA-N 2 2 348.407 -1.048 20 0 EAADLP CN(CC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266667460 785142028 /nfs/dbraw/zinc/14/20/28/785142028.db2.gz YNNDHMUXRJERIF-LLVKDONJSA-N 2 2 325.369 -1.008 20 0 EAADLP CN(CC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266667460 785142021 /nfs/dbraw/zinc/14/20/21/785142021.db2.gz YNNDHMUXRJERIF-LLVKDONJSA-N 2 2 325.369 -1.008 20 0 EAADLP CN(CC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266667463 785142623 /nfs/dbraw/zinc/14/26/23/785142623.db2.gz YNNDHMUXRJERIF-NSHDSACASA-N 2 2 325.369 -1.008 20 0 EAADLP CN(CC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266667463 785142619 /nfs/dbraw/zinc/14/26/19/785142619.db2.gz YNNDHMUXRJERIF-NSHDSACASA-N 2 2 325.369 -1.008 20 0 EAADLP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001266754269 785154651 /nfs/dbraw/zinc/15/46/51/785154651.db2.gz NQVIFZSMOGLVOW-UHFFFAOYSA-N 2 2 326.357 -1.407 20 0 EAADLP C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001266846910 785162848 /nfs/dbraw/zinc/16/28/48/785162848.db2.gz MBESDSCBYWQPBD-LLVKDONJSA-N 2 2 338.412 -1.407 20 0 EAADLP C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001266846911 785162617 /nfs/dbraw/zinc/16/26/17/785162617.db2.gz MBESDSCBYWQPBD-NSHDSACASA-N 2 2 338.412 -1.407 20 0 EAADLP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001266988720 785176263 /nfs/dbraw/zinc/17/62/63/785176263.db2.gz OGIVXPSXPBGEQT-UHFFFAOYSA-N 2 2 336.396 -1.048 20 0 EAADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267224655 785210230 /nfs/dbraw/zinc/21/02/30/785210230.db2.gz IOALJXUNCPPGAK-LLVKDONJSA-N 2 2 337.380 -1.490 20 0 EAADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267224655 785210223 /nfs/dbraw/zinc/21/02/23/785210223.db2.gz IOALJXUNCPPGAK-LLVKDONJSA-N 2 2 337.380 -1.490 20 0 EAADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267224657 785209141 /nfs/dbraw/zinc/20/91/41/785209141.db2.gz IOALJXUNCPPGAK-NSHDSACASA-N 2 2 337.380 -1.490 20 0 EAADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267224657 785209132 /nfs/dbraw/zinc/20/91/32/785209132.db2.gz IOALJXUNCPPGAK-NSHDSACASA-N 2 2 337.380 -1.490 20 0 EAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312400 785223467 /nfs/dbraw/zinc/22/34/67/785223467.db2.gz ZJMHFTSWJZQUGZ-CHWSQXEVSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312400 785223461 /nfs/dbraw/zinc/22/34/61/785223461.db2.gz ZJMHFTSWJZQUGZ-CHWSQXEVSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312400 785223458 /nfs/dbraw/zinc/22/34/58/785223458.db2.gz ZJMHFTSWJZQUGZ-CHWSQXEVSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312400 785223456 /nfs/dbraw/zinc/22/34/56/785223456.db2.gz ZJMHFTSWJZQUGZ-CHWSQXEVSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312401 785223688 /nfs/dbraw/zinc/22/36/88/785223688.db2.gz ZJMHFTSWJZQUGZ-OLZOCXBDSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312401 785223683 /nfs/dbraw/zinc/22/36/83/785223683.db2.gz ZJMHFTSWJZQUGZ-OLZOCXBDSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312401 785223678 /nfs/dbraw/zinc/22/36/78/785223678.db2.gz ZJMHFTSWJZQUGZ-OLZOCXBDSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001267312401 785223672 /nfs/dbraw/zinc/22/36/72/785223672.db2.gz ZJMHFTSWJZQUGZ-OLZOCXBDSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312402 785223164 /nfs/dbraw/zinc/22/31/64/785223164.db2.gz ZJMHFTSWJZQUGZ-QWHCGFSZSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312402 785223156 /nfs/dbraw/zinc/22/31/56/785223156.db2.gz ZJMHFTSWJZQUGZ-QWHCGFSZSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312402 785223147 /nfs/dbraw/zinc/22/31/47/785223147.db2.gz ZJMHFTSWJZQUGZ-QWHCGFSZSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312402 785223141 /nfs/dbraw/zinc/22/31/41/785223141.db2.gz ZJMHFTSWJZQUGZ-QWHCGFSZSA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312403 785224033 /nfs/dbraw/zinc/22/40/33/785224033.db2.gz ZJMHFTSWJZQUGZ-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312403 785224023 /nfs/dbraw/zinc/22/40/23/785224023.db2.gz ZJMHFTSWJZQUGZ-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312403 785224015 /nfs/dbraw/zinc/22/40/15/785224015.db2.gz ZJMHFTSWJZQUGZ-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001267312403 785224013 /nfs/dbraw/zinc/22/40/13/785224013.db2.gz ZJMHFTSWJZQUGZ-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001267456403 785240492 /nfs/dbraw/zinc/24/04/92/785240492.db2.gz WGLBEWMVVWCSPN-UHFFFAOYSA-N 2 2 336.396 -1.001 20 0 EAADLP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CCc1c[nH+]cn1C ZINC001267462865 785240387 /nfs/dbraw/zinc/24/03/87/785240387.db2.gz PCWJBRMRCVXDFW-UHFFFAOYSA-N 2 2 336.396 -1.048 20 0 EAADLP COCCOC[C@@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267666696 785270867 /nfs/dbraw/zinc/27/08/67/785270867.db2.gz JJLHYAYFOZOCHC-AWEZNQCLSA-N 2 2 327.425 -1.094 20 0 EAADLP COCCOC[C@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267666697 785270290 /nfs/dbraw/zinc/27/02/90/785270290.db2.gz JJLHYAYFOZOCHC-CQSZACIVSA-N 2 2 327.425 -1.094 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001267953988 785327744 /nfs/dbraw/zinc/32/77/44/785327744.db2.gz WAUHDGZKAVGGTK-KGLIPLIRSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001267953988 785327734 /nfs/dbraw/zinc/32/77/34/785327734.db2.gz WAUHDGZKAVGGTK-KGLIPLIRSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001267953989 785326143 /nfs/dbraw/zinc/32/61/43/785326143.db2.gz WAUHDGZKAVGGTK-ZIAGYGMSSA-N 2 2 339.440 -1.077 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001267953989 785326132 /nfs/dbraw/zinc/32/61/32/785326132.db2.gz WAUHDGZKAVGGTK-ZIAGYGMSSA-N 2 2 339.440 -1.077 20 0 EAADLP O=C(NC[C@H]1C[N@@H+](CCOCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001268029872 785363521 /nfs/dbraw/zinc/36/35/21/785363521.db2.gz IJYPSTKXJWIZHP-AWEZNQCLSA-N 2 2 327.425 -1.092 20 0 EAADLP O=C(NC[C@H]1C[N@H+](CCOCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001268029872 785363518 /nfs/dbraw/zinc/36/35/18/785363518.db2.gz IJYPSTKXJWIZHP-AWEZNQCLSA-N 2 2 327.425 -1.092 20 0 EAADLP O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001268029873 785364141 /nfs/dbraw/zinc/36/41/41/785364141.db2.gz IJYPSTKXJWIZHP-CQSZACIVSA-N 2 2 327.425 -1.092 20 0 EAADLP O=C(NC[C@@H]1C[N@H+](CCOCCO)CCO1)C12CC[NH+](CC1)C2 ZINC001268029873 785364139 /nfs/dbraw/zinc/36/41/39/785364139.db2.gz IJYPSTKXJWIZHP-CQSZACIVSA-N 2 2 327.425 -1.092 20 0 EAADLP O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268308102 785404109 /nfs/dbraw/zinc/40/41/09/785404109.db2.gz KHKPYTQOPSTULG-IJLUTSLNSA-N 2 2 336.396 -1.395 20 0 EAADLP O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268308102 785404103 /nfs/dbraw/zinc/40/41/03/785404103.db2.gz KHKPYTQOPSTULG-IJLUTSLNSA-N 2 2 336.396 -1.395 20 0 EAADLP O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268308104 785403968 /nfs/dbraw/zinc/40/39/68/785403968.db2.gz KHKPYTQOPSTULG-QJPTWQEYSA-N 2 2 336.396 -1.395 20 0 EAADLP O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268308104 785403961 /nfs/dbraw/zinc/40/39/61/785403961.db2.gz KHKPYTQOPSTULG-QJPTWQEYSA-N 2 2 336.396 -1.395 20 0 EAADLP CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268316462 785411063 /nfs/dbraw/zinc/41/10/63/785411063.db2.gz SRSKWUDIEWWKCT-AAEUAGOBSA-N 2 2 344.437 -1.443 20 0 EAADLP CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268316463 785410229 /nfs/dbraw/zinc/41/02/29/785410229.db2.gz SRSKWUDIEWWKCT-DGCLKSJQSA-N 2 2 344.437 -1.443 20 0 EAADLP CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268316464 785410597 /nfs/dbraw/zinc/41/05/97/785410597.db2.gz SRSKWUDIEWWKCT-WCQYABFASA-N 2 2 344.437 -1.443 20 0 EAADLP CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268316465 785410883 /nfs/dbraw/zinc/41/08/83/785410883.db2.gz SRSKWUDIEWWKCT-YPMHNXCESA-N 2 2 344.437 -1.443 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268316526 785410325 /nfs/dbraw/zinc/41/03/25/785410325.db2.gz HAABJURNMUSJSS-GHMZBOCLSA-N 2 2 337.380 -1.775 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268316527 785410748 /nfs/dbraw/zinc/41/07/48/785410748.db2.gz HAABJURNMUSJSS-MNOVXSKESA-N 2 2 337.380 -1.775 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268316528 785410377 /nfs/dbraw/zinc/41/03/77/785410377.db2.gz HAABJURNMUSJSS-QWRGUYRKSA-N 2 2 337.380 -1.775 20 0 EAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268316529 785411022 /nfs/dbraw/zinc/41/10/22/785411022.db2.gz HAABJURNMUSJSS-WDEREUQCSA-N 2 2 337.380 -1.775 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268328267 785416934 /nfs/dbraw/zinc/41/69/34/785416934.db2.gz WSNNPCAHUQDKKU-NEPJUHHUSA-N 2 2 344.437 -1.156 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268328269 785416655 /nfs/dbraw/zinc/41/66/55/785416655.db2.gz WSNNPCAHUQDKKU-NWDGAFQWSA-N 2 2 344.437 -1.156 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001268328272 785416361 /nfs/dbraw/zinc/41/63/61/785416361.db2.gz WSNNPCAHUQDKKU-RYUDHWBXSA-N 2 2 344.437 -1.156 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001268328274 785417075 /nfs/dbraw/zinc/41/70/75/785417075.db2.gz WSNNPCAHUQDKKU-VXGBXAGGSA-N 2 2 344.437 -1.156 20 0 EAADLP C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268412252 785425870 /nfs/dbraw/zinc/42/58/70/785425870.db2.gz UTHOSDDJWHYKSG-LLVKDONJSA-N 2 2 336.396 -1.605 20 0 EAADLP C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268412253 785426027 /nfs/dbraw/zinc/42/60/27/785426027.db2.gz UTHOSDDJWHYKSG-NSHDSACASA-N 2 2 336.396 -1.605 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423279 785427342 /nfs/dbraw/zinc/42/73/42/785427342.db2.gz FZUGCMOZSIUQMW-NEPJUHHUSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423279 785427339 /nfs/dbraw/zinc/42/73/39/785427339.db2.gz FZUGCMOZSIUQMW-NEPJUHHUSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423287 785427414 /nfs/dbraw/zinc/42/74/14/785427414.db2.gz FZUGCMOZSIUQMW-NWDGAFQWSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423287 785427413 /nfs/dbraw/zinc/42/74/13/785427413.db2.gz FZUGCMOZSIUQMW-NWDGAFQWSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423289 785427021 /nfs/dbraw/zinc/42/70/21/785427021.db2.gz FZUGCMOZSIUQMW-RYUDHWBXSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423289 785427014 /nfs/dbraw/zinc/42/70/14/785427014.db2.gz FZUGCMOZSIUQMW-RYUDHWBXSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423292 785426896 /nfs/dbraw/zinc/42/68/96/785426896.db2.gz FZUGCMOZSIUQMW-VXGBXAGGSA-N 2 2 325.417 -1.085 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)C1 ZINC001268423292 785426892 /nfs/dbraw/zinc/42/68/92/785426892.db2.gz FZUGCMOZSIUQMW-VXGBXAGGSA-N 2 2 325.417 -1.085 20 0 EAADLP CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268501065 785437071 /nfs/dbraw/zinc/43/70/71/785437071.db2.gz WHDMXLGLAUACLQ-GFCCVEGCSA-N 2 2 340.428 -1.233 20 0 EAADLP CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268501065 785437065 /nfs/dbraw/zinc/43/70/65/785437065.db2.gz WHDMXLGLAUACLQ-GFCCVEGCSA-N 2 2 340.428 -1.233 20 0 EAADLP CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268501066 785437237 /nfs/dbraw/zinc/43/72/37/785437237.db2.gz WHDMXLGLAUACLQ-LBPRGKRZSA-N 2 2 340.428 -1.233 20 0 EAADLP CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268501066 785437231 /nfs/dbraw/zinc/43/72/31/785437231.db2.gz WHDMXLGLAUACLQ-LBPRGKRZSA-N 2 2 340.428 -1.233 20 0 EAADLP C[C@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268663440 785464499 /nfs/dbraw/zinc/46/44/99/785464499.db2.gz ONLNDLTUYJBHPY-PWSUYJOCSA-N 2 2 337.380 -1.444 20 0 EAADLP C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268663441 785465302 /nfs/dbraw/zinc/46/53/02/785465302.db2.gz ONLNDLTUYJBHPY-ZYHUDNBSSA-N 2 2 337.380 -1.444 20 0 EAADLP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001268814284 785477588 /nfs/dbraw/zinc/47/75/88/785477588.db2.gz XGWKBSPUPJAXDF-HNNXBMFYSA-N 2 2 342.440 -1.482 20 0 EAADLP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001268814284 785477585 /nfs/dbraw/zinc/47/75/85/785477585.db2.gz XGWKBSPUPJAXDF-HNNXBMFYSA-N 2 2 342.440 -1.482 20 0 EAADLP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001268814285 785477329 /nfs/dbraw/zinc/47/73/29/785477329.db2.gz XGWKBSPUPJAXDF-OAHLLOKOSA-N 2 2 342.440 -1.482 20 0 EAADLP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001268814285 785477323 /nfs/dbraw/zinc/47/73/23/785477323.db2.gz XGWKBSPUPJAXDF-OAHLLOKOSA-N 2 2 342.440 -1.482 20 0 EAADLP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001268881146 785483077 /nfs/dbraw/zinc/48/30/77/785483077.db2.gz NTPQMUWFURSSST-UHFFFAOYSA-N 2 2 343.428 -1.270 20 0 EAADLP CN(CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1)C(N)=[NH2+] ZINC001268995901 785490163 /nfs/dbraw/zinc/49/01/63/785490163.db2.gz FIWSSJWHMSYOLI-OLZOCXBDSA-N 2 2 335.412 -1.380 20 0 EAADLP CN(CC(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1)C(N)=[NH2+] ZINC001268995902 785490518 /nfs/dbraw/zinc/49/05/18/785490518.db2.gz FIWSSJWHMSYOLI-STQMWFEESA-N 2 2 335.412 -1.380 20 0 EAADLP CN(CC(=O)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2)C(N)=[NH2+] ZINC001268996891 785491470 /nfs/dbraw/zinc/49/14/70/785491470.db2.gz QLRNRZWQIJPPNE-BETUJISGSA-N 2 2 335.412 -1.380 20 0 EAADLP CN(CC(=O)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2)C(N)=[NH2+] ZINC001268996891 785491463 /nfs/dbraw/zinc/49/14/63/785491463.db2.gz QLRNRZWQIJPPNE-BETUJISGSA-N 2 2 335.412 -1.380 20 0 EAADLP CN(CC(=O)N1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2)C(N)=[NH2+] ZINC001268996891 785491459 /nfs/dbraw/zinc/49/14/59/785491459.db2.gz QLRNRZWQIJPPNE-BETUJISGSA-N 2 2 335.412 -1.380 20 0 EAADLP CN(CC(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1)C(N)=[NH2+] ZINC001268997112 785491108 /nfs/dbraw/zinc/49/11/08/785491108.db2.gz VIFUSJDGXCACPV-BETUJISGSA-N 2 2 335.412 -1.380 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001269094130 785505881 /nfs/dbraw/zinc/50/58/81/785505881.db2.gz AYOQGZKBEBGDEA-GJZGRUSLSA-N 2 2 337.424 -1.129 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001269094130 785505876 /nfs/dbraw/zinc/50/58/76/785505876.db2.gz AYOQGZKBEBGDEA-GJZGRUSLSA-N 2 2 337.424 -1.129 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001269094835 785503742 /nfs/dbraw/zinc/50/37/42/785503742.db2.gz LDRPASNTXXHEPS-LSDHHAIUSA-N 2 2 337.424 -1.271 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001269094835 785503732 /nfs/dbraw/zinc/50/37/32/785503732.db2.gz LDRPASNTXXHEPS-LSDHHAIUSA-N 2 2 337.424 -1.271 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269094856 785504177 /nfs/dbraw/zinc/50/41/77/785504177.db2.gz LUPGPAKFYOLQIB-KBPBESRZSA-N 2 2 342.440 -1.964 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269094856 785504172 /nfs/dbraw/zinc/50/41/72/785504172.db2.gz LUPGPAKFYOLQIB-KBPBESRZSA-N 2 2 342.440 -1.964 20 0 EAADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269095184 785505170 /nfs/dbraw/zinc/50/51/70/785505170.db2.gz OUHRJBQKWQUDBU-GJZGRUSLSA-N 2 2 328.457 -1.490 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CCO)CCO)[C@@H]2C1 ZINC001269095190 785504807 /nfs/dbraw/zinc/50/48/07/785504807.db2.gz OZEDPBOURFWOEE-UONOGXRCSA-N 2 2 342.440 -2.106 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CCO)CCO)[C@@H]2C1 ZINC001269095190 785504802 /nfs/dbraw/zinc/50/48/02/785504802.db2.gz OZEDPBOURFWOEE-UONOGXRCSA-N 2 2 342.440 -2.106 20 0 EAADLP C[N@H+]1CCN(C(=O)C[NH+](CCO)CCO)C[C@]2(CCCC(=O)N2)C1 ZINC001269095329 785505776 /nfs/dbraw/zinc/50/57/76/785505776.db2.gz QOEZEZWAYAURDE-INIZCTEOSA-N 2 2 342.440 -1.914 20 0 EAADLP C[N@@H+]1CCN(C(=O)C[NH+](CCO)CCO)C[C@]2(CCCC(=O)N2)C1 ZINC001269095329 785505772 /nfs/dbraw/zinc/50/57/72/785505772.db2.gz QOEZEZWAYAURDE-INIZCTEOSA-N 2 2 342.440 -1.914 20 0 EAADLP C[N@H+]1CCN(C(=O)C[NH+](CCO)CCO)C[C@@]2(CCCC(=O)N2)C1 ZINC001269095330 785506050 /nfs/dbraw/zinc/50/60/50/785506050.db2.gz QOEZEZWAYAURDE-MRXNPFEDSA-N 2 2 342.440 -1.914 20 0 EAADLP C[N@@H+]1CCN(C(=O)C[NH+](CCO)CCO)C[C@@]2(CCCC(=O)N2)C1 ZINC001269095330 785506047 /nfs/dbraw/zinc/50/60/47/785506047.db2.gz QOEZEZWAYAURDE-MRXNPFEDSA-N 2 2 342.440 -1.914 20 0 EAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269095348 785504999 /nfs/dbraw/zinc/50/49/99/785504999.db2.gz QWQUCJINXPCGKK-UHFFFAOYSA-N 2 2 342.440 -2.105 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269095348 785504991 /nfs/dbraw/zinc/50/49/91/785504991.db2.gz QWQUCJINXPCGKK-UHFFFAOYSA-N 2 2 342.440 -2.105 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)C[NH+](CCO)CCO)[C@@H]2C1 ZINC001269095411 785506238 /nfs/dbraw/zinc/50/62/38/785506238.db2.gz SRWWCTFKDUZPCH-LSDHHAIUSA-N 2 2 328.457 -1.633 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001269095755 785506264 /nfs/dbraw/zinc/50/62/64/785506264.db2.gz UYWWMIPEQHCDEZ-UHFFFAOYSA-N 2 2 337.424 -1.686 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001269095950 785505449 /nfs/dbraw/zinc/50/54/49/785505449.db2.gz YNVURPRIARWRFH-UHFFFAOYSA-N 2 2 337.424 -1.269 20 0 EAADLP O=C(C[NH+](CCO)CCO)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001269095950 785505441 /nfs/dbraw/zinc/50/54/41/785505441.db2.gz YNVURPRIARWRFH-UHFFFAOYSA-N 2 2 337.424 -1.269 20 0 EAADLP C[NH+](C)CCN1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269096029 785506347 /nfs/dbraw/zinc/50/63/47/785506347.db2.gz ZRKPYVJZHSEWJG-UHFFFAOYSA-N 2 2 328.457 -1.631 20 0 EAADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001269522177 785545280 /nfs/dbraw/zinc/54/52/80/785545280.db2.gz JNFPHPHMIZSTJC-UHFFFAOYSA-N 2 2 334.380 -1.247 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H](C1)O2 ZINC001270398886 785589682 /nfs/dbraw/zinc/58/96/82/785589682.db2.gz NGCWFFDZMADWAB-QLFBSQMISA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H](C1)O2 ZINC001270398887 785589106 /nfs/dbraw/zinc/58/91/06/785589106.db2.gz NGCWFFDZMADWAB-ZNMIVQPWSA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001270398982 785590082 /nfs/dbraw/zinc/59/00/82/785590082.db2.gz PJXBERQHICHGLA-QLFBSQMISA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001270398983 785589481 /nfs/dbraw/zinc/58/94/81/785589481.db2.gz PJXBERQHICHGLA-ZNMIVQPWSA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H]21 ZINC001270399321 785589519 /nfs/dbraw/zinc/58/95/19/785589519.db2.gz WKFFSKZGIKRTGO-ILXRZTDVSA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H]21 ZINC001270399322 785589340 /nfs/dbraw/zinc/58/93/40/785589340.db2.gz WKFFSKZGIKRTGO-KFWWJZLASA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@@H]21 ZINC001270399323 785589667 /nfs/dbraw/zinc/58/96/67/785589667.db2.gz WKFFSKZGIKRTGO-KKUMJFAQSA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@@H]21 ZINC001270399324 785589876 /nfs/dbraw/zinc/58/98/76/785589876.db2.gz WKFFSKZGIKRTGO-ZNMIVQPWSA-N 2 2 337.424 -1.110 20 0 EAADLP C[NH+](C)CCN1CCC12CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O)C2 ZINC001270405362 785590924 /nfs/dbraw/zinc/59/09/24/785590924.db2.gz ISVZRRKCKUCHSP-AWEZNQCLSA-N 2 2 334.424 -1.085 20 0 EAADLP C[NH+](C)CCN1CCC12CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001270405362 785590920 /nfs/dbraw/zinc/59/09/20/785590920.db2.gz ISVZRRKCKUCHSP-AWEZNQCLSA-N 2 2 334.424 -1.085 20 0 EAADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O ZINC001270405708 785591117 /nfs/dbraw/zinc/59/11/17/785591117.db2.gz LHIRNFWJQZYZHO-ZNMIVQPWSA-N 2 2 334.424 -1.087 20 0 EAADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O ZINC001270405708 785591112 /nfs/dbraw/zinc/59/11/12/785591112.db2.gz LHIRNFWJQZYZHO-ZNMIVQPWSA-N 2 2 334.424 -1.087 20 0 EAADLP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001270407467 785590654 /nfs/dbraw/zinc/59/06/54/785590654.db2.gz ZZZQQYNAOCNYDV-AWEZNQCLSA-N 2 2 334.424 -1.227 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001270701904 785611681 /nfs/dbraw/zinc/61/16/81/785611681.db2.gz AFJNNHROSBIAIK-LSDHHAIUSA-N 2 2 337.468 -1.145 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001270701904 785611671 /nfs/dbraw/zinc/61/16/71/785611671.db2.gz AFJNNHROSBIAIK-LSDHHAIUSA-N 2 2 337.468 -1.145 20 0 EAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001270702301 785611644 /nfs/dbraw/zinc/61/16/44/785611644.db2.gz KCQQRHLBPQIGFT-UHFFFAOYSA-N 2 2 337.468 -1.144 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001270702301 785611640 /nfs/dbraw/zinc/61/16/40/785611640.db2.gz KCQQRHLBPQIGFT-UHFFFAOYSA-N 2 2 337.468 -1.144 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001270702818 785611481 /nfs/dbraw/zinc/61/14/81/785611481.db2.gz WYLWNOIPEBPHRS-GJZGRUSLSA-N 2 2 337.468 -1.003 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001270702818 785611476 /nfs/dbraw/zinc/61/14/76/785611476.db2.gz WYLWNOIPEBPHRS-GJZGRUSLSA-N 2 2 337.468 -1.003 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270979159 785640276 /nfs/dbraw/zinc/64/02/76/785640276.db2.gz DXAZBUXMBCVTMQ-QLFBSQMISA-N 2 2 326.441 -1.210 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270979159 785640273 /nfs/dbraw/zinc/64/02/73/785640273.db2.gz DXAZBUXMBCVTMQ-QLFBSQMISA-N 2 2 326.441 -1.210 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270979161 785640501 /nfs/dbraw/zinc/64/05/01/785640501.db2.gz DXAZBUXMBCVTMQ-ZNMIVQPWSA-N 2 2 326.441 -1.210 20 0 EAADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270979161 785640493 /nfs/dbraw/zinc/64/04/93/785640493.db2.gz DXAZBUXMBCVTMQ-ZNMIVQPWSA-N 2 2 326.441 -1.210 20 0 EAADLP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271169692 785669871 /nfs/dbraw/zinc/66/98/71/785669871.db2.gz FLCCPRZGKKUKSK-LLVKDONJSA-N 2 2 336.396 -1.049 20 0 EAADLP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271169696 785669737 /nfs/dbraw/zinc/66/97/37/785669737.db2.gz FLCCPRZGKKUKSK-NSHDSACASA-N 2 2 336.396 -1.049 20 0 EAADLP Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001272129463 785798409 /nfs/dbraw/zinc/79/84/09/785798409.db2.gz HUNOUNIVLSOFPE-LLVKDONJSA-N 2 2 326.401 -1.887 20 0 EAADLP Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001272129463 785798393 /nfs/dbraw/zinc/79/83/93/785798393.db2.gz HUNOUNIVLSOFPE-LLVKDONJSA-N 2 2 326.401 -1.887 20 0 EAADLP Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001272129466 785799300 /nfs/dbraw/zinc/79/93/00/785799300.db2.gz HUNOUNIVLSOFPE-NSHDSACASA-N 2 2 326.401 -1.887 20 0 EAADLP Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001272129466 785799294 /nfs/dbraw/zinc/79/92/94/785799294.db2.gz HUNOUNIVLSOFPE-NSHDSACASA-N 2 2 326.401 -1.887 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cnns2)C1 ZINC001272136208 785798204 /nfs/dbraw/zinc/79/82/04/785798204.db2.gz JYSCIXHTPWEJQX-GFCCVEGCSA-N 2 2 329.426 -1.221 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cnns2)C1 ZINC001272136208 785798202 /nfs/dbraw/zinc/79/82/02/785798202.db2.gz JYSCIXHTPWEJQX-GFCCVEGCSA-N 2 2 329.426 -1.221 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnns2)C1 ZINC001272136209 785798682 /nfs/dbraw/zinc/79/86/82/785798682.db2.gz JYSCIXHTPWEJQX-LBPRGKRZSA-N 2 2 329.426 -1.221 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnns2)C1 ZINC001272136209 785798677 /nfs/dbraw/zinc/79/86/77/785798677.db2.gz JYSCIXHTPWEJQX-LBPRGKRZSA-N 2 2 329.426 -1.221 20 0 EAADLP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272136373 785798858 /nfs/dbraw/zinc/79/88/58/785798858.db2.gz PXNUDSWEXWLDSV-JTQLQIEISA-N 2 2 331.373 -3.078 20 0 EAADLP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272136373 785798852 /nfs/dbraw/zinc/79/88/52/785798852.db2.gz PXNUDSWEXWLDSV-JTQLQIEISA-N 2 2 331.373 -3.078 20 0 EAADLP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272136374 785799099 /nfs/dbraw/zinc/79/90/99/785799099.db2.gz PXNUDSWEXWLDSV-SNVBAGLBSA-N 2 2 331.373 -3.078 20 0 EAADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272136374 785799095 /nfs/dbraw/zinc/79/90/95/785799095.db2.gz PXNUDSWEXWLDSV-SNVBAGLBSA-N 2 2 331.373 -3.078 20 0 EAADLP CNC(=O)C[NH2+]CCN(CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001272167879 785802209 /nfs/dbraw/zinc/80/22/09/785802209.db2.gz CGWUNQTYKOSCOQ-UHFFFAOYSA-N 2 2 337.424 -1.082 20 0 EAADLP Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCCC[N@H+]2C)nc1=O ZINC001272235975 785828291 /nfs/dbraw/zinc/82/82/91/785828291.db2.gz SMIAGRAPVZHBAZ-LBPRGKRZSA-N 2 2 340.428 -1.497 20 0 EAADLP Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCCC[N@@H+]2C)nc1=O ZINC001272235975 785828283 /nfs/dbraw/zinc/82/82/83/785828283.db2.gz SMIAGRAPVZHBAZ-LBPRGKRZSA-N 2 2 340.428 -1.497 20 0 EAADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001272273635 785731478 /nfs/dbraw/zinc/73/14/78/785731478.db2.gz TXJXTDUTTNOFSE-JONQDZQNSA-N 2 2 349.435 -1.140 20 0 EAADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001272273635 785731473 /nfs/dbraw/zinc/73/14/73/785731473.db2.gz TXJXTDUTTNOFSE-JONQDZQNSA-N 2 2 349.435 -1.140 20 0 EAADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001272273636 785731750 /nfs/dbraw/zinc/73/17/50/785731750.db2.gz TXJXTDUTTNOFSE-VGWMRTNUSA-N 2 2 349.435 -1.140 20 0 EAADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001272273636 785731746 /nfs/dbraw/zinc/73/17/46/785731746.db2.gz TXJXTDUTTNOFSE-VGWMRTNUSA-N 2 2 349.435 -1.140 20 0 EAADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001272273739 785840125 /nfs/dbraw/zinc/84/01/25/785840125.db2.gz WVZSMWVCEJVVEE-FZKCQIBNSA-N 2 2 349.435 -1.140 20 0 EAADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001272273739 785840121 /nfs/dbraw/zinc/84/01/21/785840121.db2.gz WVZSMWVCEJVVEE-FZKCQIBNSA-N 2 2 349.435 -1.140 20 0 EAADLP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnn(C)n2)C1 ZINC001272315496 785958315 /nfs/dbraw/zinc/95/83/15/785958315.db2.gz OKQJGOHWOZJVSJ-AWEZNQCLSA-N 2 2 340.428 -1.554 20 0 EAADLP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnn(C)n2)C1 ZINC001272315496 785958309 /nfs/dbraw/zinc/95/83/09/785958309.db2.gz OKQJGOHWOZJVSJ-AWEZNQCLSA-N 2 2 340.428 -1.554 20 0 EAADLP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cnn(C)n2)C1 ZINC001272315497 785958607 /nfs/dbraw/zinc/95/86/07/785958607.db2.gz OKQJGOHWOZJVSJ-CQSZACIVSA-N 2 2 340.428 -1.554 20 0 EAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cnn(C)n2)C1 ZINC001272315497 785958604 /nfs/dbraw/zinc/95/86/04/785958604.db2.gz OKQJGOHWOZJVSJ-CQSZACIVSA-N 2 2 340.428 -1.554 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001272521915 785985444 /nfs/dbraw/zinc/98/54/44/785985444.db2.gz UBYCJXCQGAOOJP-IJLUTSLNSA-N 2 2 344.437 -1.365 20 0 EAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001272521916 785985851 /nfs/dbraw/zinc/98/58/51/785985851.db2.gz UBYCJXCQGAOOJP-QJPTWQEYSA-N 2 2 344.437 -1.365 20 0 EAADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001272554347 785992781 /nfs/dbraw/zinc/99/27/81/785992781.db2.gz BJQKKWAUGCJICU-QLFBSQMISA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001272554347 785992776 /nfs/dbraw/zinc/99/27/76/785992776.db2.gz BJQKKWAUGCJICU-QLFBSQMISA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001272554347 785992770 /nfs/dbraw/zinc/99/27/70/785992770.db2.gz BJQKKWAUGCJICU-QLFBSQMISA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001272554347 785992765 /nfs/dbraw/zinc/99/27/65/785992765.db2.gz BJQKKWAUGCJICU-QLFBSQMISA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001272554352 785992313 /nfs/dbraw/zinc/99/23/13/785992313.db2.gz BJQKKWAUGCJICU-ZNMIVQPWSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001272554352 785992309 /nfs/dbraw/zinc/99/23/09/785992309.db2.gz BJQKKWAUGCJICU-ZNMIVQPWSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001272554352 785992304 /nfs/dbraw/zinc/99/23/04/785992304.db2.gz BJQKKWAUGCJICU-ZNMIVQPWSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001272554352 785992297 /nfs/dbraw/zinc/99/22/97/785992297.db2.gz BJQKKWAUGCJICU-ZNMIVQPWSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)[C@@H]2C1 ZINC001272554981 785991503 /nfs/dbraw/zinc/99/15/03/785991503.db2.gz JHLQVIRSYIJSPT-RRFJBIMHSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCN3C)[C@@H]2C1 ZINC001272554981 785991500 /nfs/dbraw/zinc/99/15/00/785991500.db2.gz JHLQVIRSYIJSPT-RRFJBIMHSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001272554981 785991494 /nfs/dbraw/zinc/99/14/94/785991494.db2.gz JHLQVIRSYIJSPT-RRFJBIMHSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001272554981 785991490 /nfs/dbraw/zinc/99/14/90/785991490.db2.gz JHLQVIRSYIJSPT-RRFJBIMHSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)[C@@H]2C1 ZINC001272554986 785991384 /nfs/dbraw/zinc/99/13/84/785991384.db2.gz JHLQVIRSYIJSPT-ZNMIVQPWSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)[C@@H]2C1 ZINC001272554986 785991376 /nfs/dbraw/zinc/99/13/76/785991376.db2.gz JHLQVIRSYIJSPT-ZNMIVQPWSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001272554986 785991368 /nfs/dbraw/zinc/99/13/68/785991368.db2.gz JHLQVIRSYIJSPT-ZNMIVQPWSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001272554986 785991362 /nfs/dbraw/zinc/99/13/62/785991362.db2.gz JHLQVIRSYIJSPT-ZNMIVQPWSA-N 2 2 337.468 -1.147 20 0 EAADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001272555663 785993220 /nfs/dbraw/zinc/99/32/20/785993220.db2.gz PTOBOCQCHUEQPW-KKUMJFAQSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001272555663 785993215 /nfs/dbraw/zinc/99/32/15/785993215.db2.gz PTOBOCQCHUEQPW-KKUMJFAQSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001272555663 785993208 /nfs/dbraw/zinc/99/32/08/785993208.db2.gz PTOBOCQCHUEQPW-KKUMJFAQSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001272555663 785993204 /nfs/dbraw/zinc/99/32/04/785993204.db2.gz PTOBOCQCHUEQPW-KKUMJFAQSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001272555665 785993549 /nfs/dbraw/zinc/99/35/49/785993549.db2.gz PTOBOCQCHUEQPW-SOUVJXGZSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001272555665 785993540 /nfs/dbraw/zinc/99/35/40/785993540.db2.gz PTOBOCQCHUEQPW-SOUVJXGZSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCN1C ZINC001272555665 785993534 /nfs/dbraw/zinc/99/35/34/785993534.db2.gz PTOBOCQCHUEQPW-SOUVJXGZSA-N 2 2 337.468 -1.004 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCN1C ZINC001272555665 785993525 /nfs/dbraw/zinc/99/35/25/785993525.db2.gz PTOBOCQCHUEQPW-SOUVJXGZSA-N 2 2 337.468 -1.004 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001272591344 786014708 /nfs/dbraw/zinc/01/47/08/786014708.db2.gz GOKSRBXFONOKQL-CHWSQXEVSA-N 2 2 344.437 -1.225 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001272591346 786014673 /nfs/dbraw/zinc/01/46/73/786014673.db2.gz GOKSRBXFONOKQL-OLZOCXBDSA-N 2 2 344.437 -1.225 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001272591348 786014992 /nfs/dbraw/zinc/01/49/92/786014992.db2.gz GOKSRBXFONOKQL-QWHCGFSZSA-N 2 2 344.437 -1.225 20 0 EAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001272591349 786015479 /nfs/dbraw/zinc/01/54/79/786015479.db2.gz GOKSRBXFONOKQL-STQMWFEESA-N 2 2 344.437 -1.225 20 0 EAADLP C[NH+](C)CCN1CC2(CN(CC[NH+]3CCOCC3)C2)OCC1=O ZINC001272660501 786027514 /nfs/dbraw/zinc/02/75/14/786027514.db2.gz BAXAUWRSIIWVCB-UHFFFAOYSA-N 2 2 326.441 -1.207 20 0 EAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCN1CCOCC1)C2 ZINC001272662394 786027950 /nfs/dbraw/zinc/02/79/50/786027950.db2.gz YPQIAOVGCQJGCR-UHFFFAOYSA-N 2 2 326.441 -1.207 20 0 EAADLP C[NH+](C)CCN1C(=O)COCC12CN(CC[NH+]1CCOCC1)C2 ZINC001272662394 786027946 /nfs/dbraw/zinc/02/79/46/786027946.db2.gz YPQIAOVGCQJGCR-UHFFFAOYSA-N 2 2 326.441 -1.207 20 0 EAADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001273070123 786186908 /nfs/dbraw/zinc/18/69/08/786186908.db2.gz SBRXPKNSPWVKPD-OWCLPIDISA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001273070123 786186902 /nfs/dbraw/zinc/18/69/02/786186902.db2.gz SBRXPKNSPWVKPD-OWCLPIDISA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001273070124 786186596 /nfs/dbraw/zinc/18/65/96/786186596.db2.gz SBRXPKNSPWVKPD-XHSDSOJGSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@H+]1CC[C@H](O)C1)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001273070124 786186593 /nfs/dbraw/zinc/18/65/93/786186593.db2.gz SBRXPKNSPWVKPD-XHSDSOJGSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001273070356 786186391 /nfs/dbraw/zinc/18/63/91/786186391.db2.gz XFVCZVHHSVXDRJ-JYJNAYRXSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@H+]1CC[C@H](O)C1)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001273070356 786186386 /nfs/dbraw/zinc/18/63/86/786186386.db2.gz XFVCZVHHSVXDRJ-JYJNAYRXSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001273070357 786186852 /nfs/dbraw/zinc/18/68/52/786186852.db2.gz XFVCZVHHSVXDRJ-OAGGEKHMSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001273070357 786186848 /nfs/dbraw/zinc/18/68/48/786186848.db2.gz XFVCZVHHSVXDRJ-OAGGEKHMSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001273070358 786186362 /nfs/dbraw/zinc/18/63/62/786186362.db2.gz XFVCZVHHSVXDRJ-PMPSAXMXSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001273070358 786186360 /nfs/dbraw/zinc/18/63/60/786186360.db2.gz XFVCZVHHSVXDRJ-PMPSAXMXSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001273070359 786186722 /nfs/dbraw/zinc/18/67/22/786186722.db2.gz XFVCZVHHSVXDRJ-XHSDSOJGSA-N 2 2 349.435 -1.139 20 0 EAADLP O=C(C[N@H+]1CC[C@H](O)C1)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001273070359 786186719 /nfs/dbraw/zinc/18/67/19/786186719.db2.gz XFVCZVHHSVXDRJ-XHSDSOJGSA-N 2 2 349.435 -1.139 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001273332027 786435825 /nfs/dbraw/zinc/43/58/25/786435825.db2.gz OMATYOBZGXBZMT-LLVKDONJSA-N 2 2 345.425 -1.682 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001273332035 786434752 /nfs/dbraw/zinc/43/47/52/786434752.db2.gz OMATYOBZGXBZMT-NSHDSACASA-N 2 2 345.425 -1.682 20 0 EAADLP CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001273333841 786435062 /nfs/dbraw/zinc/43/50/62/786435062.db2.gz ZJLFSKHDGMYFSB-LLVKDONJSA-N 2 2 330.410 -1.186 20 0 EAADLP CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001273333844 786435197 /nfs/dbraw/zinc/43/51/97/786435197.db2.gz ZJLFSKHDGMYFSB-NSHDSACASA-N 2 2 330.410 -1.186 20 0 EAADLP CCN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001273628520 790704013 /nfs/dbraw/zinc/70/40/13/790704013.db2.gz JYOJMFCZQQPZRG-UHFFFAOYSA-N 2 2 348.407 -1.012 20 0 EAADLP CCN(CC[NH2+]Cc1nnnn1C)C(=O)CC[NH+]1CCOCC1 ZINC001273661786 790877604 /nfs/dbraw/zinc/87/76/04/790877604.db2.gz SNAMQBYONZCNBQ-UHFFFAOYSA-N 2 2 325.417 -1.130 20 0 EAADLP C[NH+]1CCN(CCC[NH+]2CC3(C2)COCC(=O)N3C2COC2)CC1 ZINC001273730274 791123171 /nfs/dbraw/zinc/12/31/71/791123171.db2.gz GSLMEBPIIOMMCW-UHFFFAOYSA-N 2 2 338.452 -1.064 20 0 EAADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811989 791303080 /nfs/dbraw/zinc/30/30/80/791303080.db2.gz YOPNPSOENYMHFO-AWEZNQCLSA-N 2 2 333.454 -1.104 20 0 EAADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811989 791303074 /nfs/dbraw/zinc/30/30/74/791303074.db2.gz YOPNPSOENYMHFO-AWEZNQCLSA-N 2 2 333.454 -1.104 20 0 EAADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811990 791303026 /nfs/dbraw/zinc/30/30/26/791303026.db2.gz YOPNPSOENYMHFO-CQSZACIVSA-N 2 2 333.454 -1.104 20 0 EAADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001273811990 791303021 /nfs/dbraw/zinc/30/30/21/791303021.db2.gz YOPNPSOENYMHFO-CQSZACIVSA-N 2 2 333.454 -1.104 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001273930395 791400481 /nfs/dbraw/zinc/40/04/81/791400481.db2.gz SVJGDCXDVDJUPV-INIZCTEOSA-N 2 2 340.424 -1.085 20 0 EAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001273930396 791399738 /nfs/dbraw/zinc/39/97/38/791399738.db2.gz SVJGDCXDVDJUPV-MRXNPFEDSA-N 2 2 340.424 -1.085 20 0 EAADLP C[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001274046997 791459996 /nfs/dbraw/zinc/45/99/96/791459996.db2.gz KVSAQHDPFFWBTI-HNNXBMFYSA-N 2 2 340.468 -1.082 20 0 EAADLP C[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001274046998 791459356 /nfs/dbraw/zinc/45/93/56/791459356.db2.gz KVSAQHDPFFWBTI-OAHLLOKOSA-N 2 2 340.468 -1.082 20 0 EAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001274175184 791467361 /nfs/dbraw/zinc/46/73/61/791467361.db2.gz YKEJIFZZURIGJF-UHFFFAOYSA-N 2 2 337.380 -1.137 20 0 EAADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274563721 791491731 /nfs/dbraw/zinc/49/17/31/791491731.db2.gz AVBUCWCXSAAEMA-GOEBONIOSA-N 2 2 338.408 -1.213 20 0 EAADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274563721 791491724 /nfs/dbraw/zinc/49/17/24/791491724.db2.gz AVBUCWCXSAAEMA-GOEBONIOSA-N 2 2 338.408 -1.213 20 0 EAADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274563722 791491880 /nfs/dbraw/zinc/49/18/80/791491880.db2.gz AVBUCWCXSAAEMA-HOCLYGCPSA-N 2 2 338.408 -1.213 20 0 EAADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274563722 791491875 /nfs/dbraw/zinc/49/18/75/791491875.db2.gz AVBUCWCXSAAEMA-HOCLYGCPSA-N 2 2 338.408 -1.213 20 0 EAADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274570254 791495648 /nfs/dbraw/zinc/49/56/48/791495648.db2.gz XTRCLNHTIRQVEH-GOEBONIOSA-N 2 2 338.408 -1.176 20 0 EAADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274570254 791495645 /nfs/dbraw/zinc/49/56/45/791495645.db2.gz XTRCLNHTIRQVEH-GOEBONIOSA-N 2 2 338.408 -1.176 20 0 EAADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274570255 791495902 /nfs/dbraw/zinc/49/59/02/791495902.db2.gz XTRCLNHTIRQVEH-HOCLYGCPSA-N 2 2 338.408 -1.176 20 0 EAADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274570255 791495896 /nfs/dbraw/zinc/49/58/96/791495896.db2.gz XTRCLNHTIRQVEH-HOCLYGCPSA-N 2 2 338.408 -1.176 20 0 EAADLP C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275320228 791538457 /nfs/dbraw/zinc/53/84/57/791538457.db2.gz ONLNDLTUYJBHPY-CMPLNLGQSA-N 2 2 337.380 -1.444 20 0 EAADLP C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275320229 791539043 /nfs/dbraw/zinc/53/90/43/791539043.db2.gz ONLNDLTUYJBHPY-JQWIXIFHSA-N 2 2 337.380 -1.444 20 0 EAADLP C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383494 791539364 /nfs/dbraw/zinc/53/93/64/791539364.db2.gz YRAAIUYNZUYANE-QWRGUYRKSA-N 2 2 337.380 -1.444 20 0 EAADLP C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383497 791540045 /nfs/dbraw/zinc/54/00/45/791540045.db2.gz YRAAIUYNZUYANE-WDEREUQCSA-N 2 2 337.380 -1.444 20 0 EAADLP CN(CCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001276297511 791578497 /nfs/dbraw/zinc/57/84/97/791578497.db2.gz KSTDSOZLFFDUED-UHFFFAOYSA-N 2 2 348.407 -1.012 20 0 EAADLP CN(CCC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)Cn1cc[nH+]c1 ZINC001276410529 793690913 /nfs/dbraw/zinc/69/09/13/793690913.db2.gz BQCRSWKPOWPXDU-UHFFFAOYSA-N 2 2 336.396 -1.720 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001276718112 793951457 /nfs/dbraw/zinc/95/14/57/793951457.db2.gz SKYJRNHROBXMCF-XYYAHUGASA-N 2 2 346.391 -1.202 20 0 EAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001276718112 793951449 /nfs/dbraw/zinc/95/14/49/793951449.db2.gz SKYJRNHROBXMCF-XYYAHUGASA-N 2 2 346.391 -1.202 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001276728306 793961745 /nfs/dbraw/zinc/96/17/45/793961745.db2.gz UCLTWBHFZSOKMB-CNDDSTCGSA-N 2 2 346.391 -1.202 20 0 EAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001276728306 793961739 /nfs/dbraw/zinc/96/17/39/793961739.db2.gz UCLTWBHFZSOKMB-CNDDSTCGSA-N 2 2 346.391 -1.202 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001277063044 794494860 /nfs/dbraw/zinc/49/48/60/794494860.db2.gz OIIURMWMGGWSMF-XYPYZODXSA-N 2 2 329.426 -1.014 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480830 794584992 /nfs/dbraw/zinc/58/49/92/794584992.db2.gz FXRLVQLHFQUONP-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480830 794584987 /nfs/dbraw/zinc/58/49/87/794584987.db2.gz FXRLVQLHFQUONP-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@@H+](CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480830 794584981 /nfs/dbraw/zinc/58/49/81/794584981.db2.gz FXRLVQLHFQUONP-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@H+](CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480830 794584977 /nfs/dbraw/zinc/58/49/77/794584977.db2.gz FXRLVQLHFQUONP-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480831 794585814 /nfs/dbraw/zinc/58/58/14/794585814.db2.gz FXRLVQLHFQUONP-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480831 794585808 /nfs/dbraw/zinc/58/58/08/794585808.db2.gz FXRLVQLHFQUONP-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@@H+](CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480831 794585805 /nfs/dbraw/zinc/58/58/05/794585805.db2.gz FXRLVQLHFQUONP-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@H+](CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480831 794585799 /nfs/dbraw/zinc/58/57/99/794585799.db2.gz FXRLVQLHFQUONP-KGLIPLIRSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480832 794586630 /nfs/dbraw/zinc/58/66/30/794586630.db2.gz FXRLVQLHFQUONP-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480832 794586628 /nfs/dbraw/zinc/58/66/28/794586628.db2.gz FXRLVQLHFQUONP-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@@H+](CCOCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480832 794586624 /nfs/dbraw/zinc/58/66/24/794586624.db2.gz FXRLVQLHFQUONP-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@H+](CCOCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001277480832 794586623 /nfs/dbraw/zinc/58/66/23/794586623.db2.gz FXRLVQLHFQUONP-UONOGXRCSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480833 794586644 /nfs/dbraw/zinc/58/66/44/794586644.db2.gz FXRLVQLHFQUONP-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480833 794586643 /nfs/dbraw/zinc/58/66/43/794586643.db2.gz FXRLVQLHFQUONP-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@@H+](CCOCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480833 794586641 /nfs/dbraw/zinc/58/66/41/794586641.db2.gz FXRLVQLHFQUONP-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP C[N@H+](CCOCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001277480833 794586640 /nfs/dbraw/zinc/58/66/40/794586640.db2.gz FXRLVQLHFQUONP-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001277504069 794590057 /nfs/dbraw/zinc/59/00/57/794590057.db2.gz NTNMWQXZPXGKKL-CABCVRRESA-N 2 2 326.441 -1.208 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001277504069 794590052 /nfs/dbraw/zinc/59/00/52/794590052.db2.gz NTNMWQXZPXGKKL-CABCVRRESA-N 2 2 326.441 -1.208 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC001277504070 794590569 /nfs/dbraw/zinc/59/05/69/794590569.db2.gz NTNMWQXZPXGKKL-GJZGRUSLSA-N 2 2 326.441 -1.208 20 0 EAADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC001277504070 794590566 /nfs/dbraw/zinc/59/05/66/794590566.db2.gz NTNMWQXZPXGKKL-GJZGRUSLSA-N 2 2 326.441 -1.208 20 0 EAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001277632018 794598138 /nfs/dbraw/zinc/59/81/38/794598138.db2.gz ORXCYKBSXXQDAA-UHFFFAOYSA-N 2 2 337.468 -1.144 20 0 EAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001277632018 794598134 /nfs/dbraw/zinc/59/81/34/794598134.db2.gz ORXCYKBSXXQDAA-UHFFFAOYSA-N 2 2 337.468 -1.144 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277981779 794644543 /nfs/dbraw/zinc/64/45/43/794644543.db2.gz NKMADCWOLACPSO-RYUDHWBXSA-N 2 2 337.424 -1.928 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277981779 794644538 /nfs/dbraw/zinc/64/45/38/794644538.db2.gz NKMADCWOLACPSO-RYUDHWBXSA-N 2 2 337.424 -1.928 20 0 EAADLP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277981785 794643574 /nfs/dbraw/zinc/64/35/74/794643574.db2.gz NKMADCWOLACPSO-VXGBXAGGSA-N 2 2 337.424 -1.928 20 0 EAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277981785 794643570 /nfs/dbraw/zinc/64/35/70/794643570.db2.gz NKMADCWOLACPSO-VXGBXAGGSA-N 2 2 337.424 -1.928 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277982063 794643864 /nfs/dbraw/zinc/64/38/64/794643864.db2.gz RSZHBFCCUDRTCZ-CHWSQXEVSA-N 2 2 332.408 -1.093 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277982063 794643860 /nfs/dbraw/zinc/64/38/60/794643860.db2.gz RSZHBFCCUDRTCZ-CHWSQXEVSA-N 2 2 332.408 -1.093 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277982076 794644473 /nfs/dbraw/zinc/64/44/73/794644473.db2.gz RSZHBFCCUDRTCZ-STQMWFEESA-N 2 2 332.408 -1.093 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277982076 794644469 /nfs/dbraw/zinc/64/44/69/794644469.db2.gz RSZHBFCCUDRTCZ-STQMWFEESA-N 2 2 332.408 -1.093 20 0 EAADLP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277982356 794643721 /nfs/dbraw/zinc/64/37/21/794643721.db2.gz WTTYEPHZSPQDGE-CHWSQXEVSA-N 2 2 340.424 -1.395 20 0 EAADLP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277982356 794643719 /nfs/dbraw/zinc/64/37/19/794643719.db2.gz WTTYEPHZSPQDGE-CHWSQXEVSA-N 2 2 340.424 -1.395 20 0 EAADLP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277982369 794643814 /nfs/dbraw/zinc/64/38/14/794643814.db2.gz WTTYEPHZSPQDGE-STQMWFEESA-N 2 2 340.424 -1.395 20 0 EAADLP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277982369 794643810 /nfs/dbraw/zinc/64/38/10/794643810.db2.gz WTTYEPHZSPQDGE-STQMWFEESA-N 2 2 340.424 -1.395 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001277982477 794644264 /nfs/dbraw/zinc/64/42/64/794644264.db2.gz XLZXPEXSQQWLCV-KBPBESRZSA-N 2 2 346.435 -1.119 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001277982477 794644263 /nfs/dbraw/zinc/64/42/63/794644263.db2.gz XLZXPEXSQQWLCV-KBPBESRZSA-N 2 2 346.435 -1.119 20 0 EAADLP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001277982482 794643885 /nfs/dbraw/zinc/64/38/85/794643885.db2.gz XLZXPEXSQQWLCV-ZIAGYGMSSA-N 2 2 346.435 -1.119 20 0 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ZINC001282466471 788368411 /nfs/dbraw/zinc/36/84/11/788368411.db2.gz CNGOATIABNSYAE-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282466471 788368401 /nfs/dbraw/zinc/36/84/01/788368401.db2.gz CNGOATIABNSYAE-STQMWFEESA-N 2 2 340.424 -1.050 20 0 EAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001282479326 788367690 /nfs/dbraw/zinc/36/76/90/788367690.db2.gz YXDMYQZXTLGRPA-LLVKDONJSA-N 2 2 336.396 -1.049 20 0 EAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CCN1C(=O)CNC1=O ZINC001282479326 788367684 /nfs/dbraw/zinc/36/76/84/788367684.db2.gz YXDMYQZXTLGRPA-LLVKDONJSA-N 2 2 336.396 -1.049 20 0 EAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001282479327 788367409 /nfs/dbraw/zinc/36/74/09/788367409.db2.gz YXDMYQZXTLGRPA-NSHDSACASA-N 2 2 336.396 -1.049 20 0 EAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CCN1C(=O)CNC1=O ZINC001282479327 788367399 /nfs/dbraw/zinc/36/73/99/788367399.db2.gz YXDMYQZXTLGRPA-NSHDSACASA-N 2 2 336.396 -1.049 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001283048942 788414611 /nfs/dbraw/zinc/41/46/11/788414611.db2.gz ZGNSPPCJLGYROM-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001283048942 788414605 /nfs/dbraw/zinc/41/46/05/788414605.db2.gz ZGNSPPCJLGYROM-KBPBESRZSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001283048947 788414668 /nfs/dbraw/zinc/41/46/68/788414668.db2.gz ZGNSPPCJLGYROM-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001283048947 788414663 /nfs/dbraw/zinc/41/46/63/788414663.db2.gz ZGNSPPCJLGYROM-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001283048947 788414658 /nfs/dbraw/zinc/41/46/58/788414658.db2.gz ZGNSPPCJLGYROM-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001283048947 788414655 /nfs/dbraw/zinc/41/46/55/788414655.db2.gz ZGNSPPCJLGYROM-OKILXGFUSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001283048952 788414228 /nfs/dbraw/zinc/41/42/28/788414228.db2.gz ZGNSPPCJLGYROM-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CC[NH+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001283048952 788414221 /nfs/dbraw/zinc/41/42/21/788414221.db2.gz ZGNSPPCJLGYROM-ZIAGYGMSSA-N 2 2 342.440 -1.340 20 0 EAADLP CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283111706 788428836 /nfs/dbraw/zinc/42/88/36/788428836.db2.gz VYZPBSXXHUVCNM-HAQNSBGRSA-N 2 2 329.426 -1.083 20 0 EAADLP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001283821033 788497747 /nfs/dbraw/zinc/49/77/47/788497747.db2.gz LLQSPWRYUGUZJQ-ZDUSSCGKSA-N 2 2 339.440 -1.394 20 0 EAADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001283821033 788497741 /nfs/dbraw/zinc/49/77/41/788497741.db2.gz LLQSPWRYUGUZJQ-ZDUSSCGKSA-N 2 2 339.440 -1.394 20 0 EAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001283821281 788497902 /nfs/dbraw/zinc/49/79/02/788497902.db2.gz XXDMCSPZTJHIMD-GFCCVEGCSA-N 2 2 325.413 -1.784 20 0 EAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001283821281 788497894 /nfs/dbraw/zinc/49/78/94/788497894.db2.gz XXDMCSPZTJHIMD-GFCCVEGCSA-N 2 2 325.413 -1.784 20 0 EAADLP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)C(N)=O)CC2)C1 ZINC001283822017 788497690 /nfs/dbraw/zinc/49/76/90/788497690.db2.gz ZRBOLAFLASPYQC-GFCCVEGCSA-N 2 2 325.413 -1.926 20 0 EAADLP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)C(N)=O)CC2)C1 ZINC001283822017 788497686 /nfs/dbraw/zinc/49/76/86/788497686.db2.gz ZRBOLAFLASPYQC-GFCCVEGCSA-N 2 2 325.413 -1.926 20 0 EAADLP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(C(=O)C(N)=O)CC2)C1 ZINC001283822027 788497783 /nfs/dbraw/zinc/49/77/83/788497783.db2.gz ZRBOLAFLASPYQC-LBPRGKRZSA-N 2 2 325.413 -1.926 20 0 EAADLP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(C(=O)C(N)=O)CC2)C1 ZINC001283822027 788497778 /nfs/dbraw/zinc/49/77/78/788497778.db2.gz ZRBOLAFLASPYQC-LBPRGKRZSA-N 2 2 325.413 -1.926 20 0 EAADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCCNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001283822104 788497462 /nfs/dbraw/zinc/49/74/62/788497462.db2.gz UVAUHAWKUWONHN-ZDUSSCGKSA-N 2 2 341.456 -1.292 20 0 EAADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCCNC(=O)C(N)=O)CC2)CCC1 ZINC001283823134 788499220 /nfs/dbraw/zinc/49/92/20/788499220.db2.gz ZUTADSYEJIXVEJ-UHFFFAOYSA-N 2 2 339.440 -1.394 20 0 EAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001284433448 788558382 /nfs/dbraw/zinc/55/83/82/788558382.db2.gz XVODKUMTPCGPQM-KFWWJZLASA-N 2 2 345.440 -1.733 20 0 EAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001284433449 788559186 /nfs/dbraw/zinc/55/91/86/788559186.db2.gz XVODKUMTPCGPQM-ZNMIVQPWSA-N 2 2 345.440 -1.733 20 0 EAADLP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH+]cn1C ZINC001284455847 788561977 /nfs/dbraw/zinc/56/19/77/788561977.db2.gz HGHZHIVBRFKWPB-AWEZNQCLSA-N 2 2 337.424 -1.006 20 0 EAADLP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH+]cn1C ZINC001284455848 788562259 /nfs/dbraw/zinc/56/22/59/788562259.db2.gz HGHZHIVBRFKWPB-CQSZACIVSA-N 2 2 337.424 -1.006 20 0 EAADLP CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284862058 788600789 /nfs/dbraw/zinc/60/07/89/788600789.db2.gz CTCLKOAFVCOZLG-AWEZNQCLSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284862058 788600788 /nfs/dbraw/zinc/60/07/88/788600788.db2.gz CTCLKOAFVCOZLG-AWEZNQCLSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284862059 788601343 /nfs/dbraw/zinc/60/13/43/788601343.db2.gz CTCLKOAFVCOZLG-CQSZACIVSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284862059 788601337 /nfs/dbraw/zinc/60/13/37/788601337.db2.gz CTCLKOAFVCOZLG-CQSZACIVSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284862130 788600982 /nfs/dbraw/zinc/60/09/82/788600982.db2.gz GDIVJQDBFDTOJX-CYBMUJFWSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284862130 788600978 /nfs/dbraw/zinc/60/09/78/788600978.db2.gz GDIVJQDBFDTOJX-CYBMUJFWSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284862131 788601451 /nfs/dbraw/zinc/60/14/51/788601451.db2.gz GDIVJQDBFDTOJX-ZDUSSCGKSA-N 2 2 340.428 -1.290 20 0 EAADLP CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284862131 788601447 /nfs/dbraw/zinc/60/14/47/788601447.db2.gz GDIVJQDBFDTOJX-ZDUSSCGKSA-N 2 2 340.428 -1.290 20 0 EAADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001294660019 788980610 /nfs/dbraw/zinc/98/06/10/788980610.db2.gz QIGRPUBNSKCSGU-UHFFFAOYSA-N 2 2 341.456 -1.148 20 0 EAADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001294660019 788980601 /nfs/dbraw/zinc/98/06/01/788980601.db2.gz QIGRPUBNSKCSGU-UHFFFAOYSA-N 2 2 341.456 -1.148 20 0 EAADLP CC[C@H](C(=O)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001294660089 788980663 /nfs/dbraw/zinc/98/06/63/788980663.db2.gz RIJUOYIQUZCLLU-CYBMUJFWSA-N 2 2 341.456 -1.148 20 0 EAADLP CC[C@@H](C(=O)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001294660092 788981091 /nfs/dbraw/zinc/98/10/91/788981091.db2.gz RIJUOYIQUZCLLU-ZDUSSCGKSA-N 2 2 341.456 -1.148 20 0 EAADLP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001294660598 788982256 /nfs/dbraw/zinc/98/22/56/788982256.db2.gz XXDMCSPZTJHIMD-LBPRGKRZSA-N 2 2 325.413 -1.784 20 0 EAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001294660598 788982248 /nfs/dbraw/zinc/98/22/48/788982248.db2.gz XXDMCSPZTJHIMD-LBPRGKRZSA-N 2 2 325.413 -1.784 20 0 EAADLP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001294667845 788981689 /nfs/dbraw/zinc/98/16/89/788981689.db2.gz GFCTYUBSGUTTAV-CYBMUJFWSA-N 2 2 341.456 -1.292 20 0 EAADLP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(C(=O)C(N)=O)CC1)[NH+](C)C ZINC001294667846 788982398 /nfs/dbraw/zinc/98/23/98/788982398.db2.gz GFCTYUBSGUTTAV-ZDUSSCGKSA-N 2 2 341.456 -1.292 20 0 EAADLP CN(CC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)CC(N)=O ZINC001296824736 789052431 /nfs/dbraw/zinc/05/24/31/789052431.db2.gz LFUXRJQZOXXYRH-UHFFFAOYSA-N 2 2 327.429 -1.584 20 0 EAADLP